A0A077ZGB5_TRITR Loading...

Heat shock 70 kDa protein 4

AlphaFold DB , UniProt , Accession A0A077ZGB5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 718 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
1M74.6Confident94.2Very high93 Ų9320 Ų2046%0.45811%0.109SC..  0117.70-174.9-172.4-16000107.6D139 L168M1-D139 HydrophobicContact CE-CB 3.54Å; M1-L168 HydrophobicContact CE-CD1 3.49Å; M1-L168 VanDerWaalsContact CE-CD1 3.49Å; M1-L168 HydrophobicContact CE-CD2 3.91Å; M1-L168 HydrophobicContact CE-CG 4.23Å
2S85.4Confident94.6Very high26 Ų2620.8 Ų20.818%0.18212%0.117CC..  trans-71.7136.8173.8-58.30000109.2K136S2-K136 PolarHBondContact OG-O 2.8Å
3V93.1Very high94.9Very high7 Ų719.2 Ų19.24%0.04211%0.108CC..  trans-94.4111.5176.9172.20000108.3V17 A18 T377 C380 A381 F387V3-V17 WeakPolarHBondContact O-CA 3.32Å; V3-A18 HydrophobicContact CB-CB 3.75Å; V3-A18 HydrophobicContact CG1-CB 3.63Å; V3-A18 PolarHBondContact O-N 3.34Å; V3-A18 VanDerWaalsContact O-N 3.15Å; V3-T377 HydrophobicContact CG1-CG2 4.01Å; V3-T377 WeakPolarHBondContact CG1-O 3.49Å; V3-C380 HydrophobicContact CG1-CB 3.89Å; V3-A381 HydrophobicContact CG1-CB 3.73Å; V3-A381 VanDerWaalsContact CG1-N 3.35Å; V3-F387 HydrophobicContact CG2-CB 3.9Å; V3-F387 HydrophobicContact CG2-CD2 4.22Å; V3-F387 HydrophobicContact CG2-CG 4.21Å
4V97.5Very high95.1Very high0 Ų020 Ų200%011%0.109CC..EExtended strand (participates in β ladder)trans-133.9135.3-169.3-173.30000111F6 V15 G16 V17 T129 V137 C140 V141 C380V4-F6 HydrophobicContact CG1-CD1 3.87Å; V4-F6 HydrophobicContact CG1-CE1 3.32Å; V4-F6 HydrophobicContact CG1-CZ 3.95Å; V4-V15 HydrophobicContact CG1-CG1 4.38Å; V4-G16 WeakPolarHBondContact CA-O 3.45Å; V4-V17 HydrophobicContact CG2-CG1 4.41Å; V4-T129 HydrophobicContact CG1-CG2 3.92Å; V4-T129 HydrophobicContact CG2-CG2 3.83Å; V4-V137 HydrophobicContact CB-CG1 4.39Å; V4-V137 HydrophobicContact CG2-CG1 3.85Å; V4-V137 HydrophobicContact CG2-CG2 4.17Å; V4-C140 HydrophobicContact CB-CB 4.22Å; V4-C140 HydrophobicContact CG1-CB 4.33Å; V4-C140 WeakPolarHBondContact O-CA 3.49Å; V4-V141 PolarHBondContact O-N 2.91Å; V4-C380 PolarHBondContact N-SG 3.18Å; V4-C380 VanDerWaalsContact N-SG 3.38Å; V4-C380 WeakPolarHBondContact O-CB 3.38Å; V4-C380 PolarHBondContact O-SG 3.47Å
5G98.5Very high95.4Very high0 Ų018.9 Ų18.90%010%0.103CC..EExtended strand (participates in β ladder)trans-127.2131.6175.300000111.4G16 V141 T377G5-G16 PolarHBondContact N-O 2.98Å; G5-G16 PolarHBondContact O-N 3.41Å; G5-V141 CarbonylContact C-O 3.5Å; G5-V141 WeakPolarHBondContact CA-O 3.37Å; G5-T377 WeakPolarHBondContact CA-OG1 3.48Å; G5-T377 PolarHBondContact N-OG1 3.15Å
6F98.7Very high95.6Very high0 Ų017.7 Ų17.70%010%0.097CC..EExtended strand (participates in β ladder)trans-112.1130.1177-64-20.4000111.2V4 V15 L122 L125 C140 V141 I142 G143 I165V4-F6 HydrophobicContact CG1-CD1 3.87Å; V4-F6 HydrophobicContact CG1-CE1 3.32Å; V4-F6 HydrophobicContact CG1-CZ 3.95Å; F6-V15 HydrophobicContact CD1-CB 4.29Å; F6-V15 HydrophobicContact CD1-CG1 4.06Å; F6-V15 HydrophobicContact CD1-CG2 3.78Å; F6-V15 HydrophobicContact CE1-CB 4.37Å; F6-V15 HydrophobicContact CE1-CG1 3.81Å; F6-V15 HydrophobicContact CE1-CG2 3.83Å; F6-L122 HydrophobicContact CD2-CD2 4.06Å; F6-L125 HydrophobicContact CB-CD1 4.16Å; F6-L125 HydrophobicContact CD1-CB 4.22Å; F6-L125 HydrophobicContact CD1-CD1 4.29Å; F6-L125 HydrophobicContact CD2-CB 4.22Å; F6-L125 HydrophobicContact CD2-CD1 4.06Å; F6-L125 HydrophobicContact CE1-CB 3.86Å; F6-L125 HydrophobicContact CE2-CB 3.83Å; F6-L125 HydrophobicContact CE2-CD1 4.5Å; F6-L125 HydrophobicContact CG-CB 4.41Å; F6-L125 HydrophobicContact CG-CD1 3.94Å; F6-L125 HydrophobicContact CZ-CB 3.66Å; F6-C140 HydrophobicContact CD2-CB 4.38Å; F6-C140 HydrophobicContact CE2-CB 4.36Å; F6-V141 PolarHBondContact N-O 3.07Å; F6-I142 HydrophobicContact CB-CG1 4.31Å; F6-I142 HydrophobicContact CB-CG2 4.42Å; F6-I142 HydrophobicContact CD2-CD1 4.49Å; F6-I142 HydrophobicContact CD2-CG1 4.3Å; F6-I142 WeakPolarHBondContact O-CA 3.44Å; F6-G143 PolarHBondContact O-N 3.41Å; F6-I165 HydrophobicContact CE2-CD1 3.51Å; F6-I165 HydrophobicContact CZ-CD1 3.9Å
7D98.7Very high95.7Very high16 Ų1616.6 Ų16.69%0.0869%0.091CC..EExtended strand (participates in β ladder)trans-96.5113.2158.4175.713.7000108.3G9 C13 Y14 V372 A373D7-G9 PolarHBondContact O-N 3.08Å; D7-G9 PolarHBondContact OD1-N 3.09Å; D7-C13 CarbonylContact O-C 3.48Å; D7-C13 WeakPolarHBondContact O-CA 3.38Å; D7-C13 VanDerWaalsContact O-CB 3.24Å; D7-C13 WeakPolarHBondContact O-CB 3.43Å; D7-Y14 PolarHBondContact N-O 2.91Å; D7-Y14 PolarHBondContact O-N 3.21Å; D7-V372 HydrophobicContact CB-CB 4.04Å; D7-V372 HydrophobicContact CB-CG1 3.77Å; D7-A373 HydrophobicContact CB-CB 3.9Å
8F97.7Very high95.5Very high0 Ų016.6 Ų16.60%09%0.093CC..EExtended strand (participates in β ladder)trans-95.180.9172.9170.4-120.5000109.1T37 F67 K68 I71 L118 Q121 W148F8-T37 HydrophobicContact CD2-CG2 4.21Å; F8-T37 HydrophobicContact CE2-CG2 3.47Å; F8-T37 VanDerWaalsContact CE2-CG2 3.47Å; F8-T37 HydrophobicContact CZ-CG2 4.22Å; F8-F67 AromaticContact CE2-CE2 3.87Å; F8-F67 HydrophobicContact CE2-CE2 3.87Å; F8-F67 AromaticContact CE2-CZ 3.96Å; F8-F67 HydrophobicContact CE2-CZ 3.96Å; F8-F67 HydrophobicContact CZ-CD2 4.22Å; F8-F67 AromaticContact CZ-CE2 3.62Å; F8-F67 HydrophobicContact CZ-CE2 3.62Å; F8-F67 HydrophobicContact CZ-CZ 4.16Å; F8-K68 HydrophobicContact CD1-CD 4.22Å; F8-K68 HydrophobicContact CD1-CG 4.17Å; F8-K68 HydrophobicContact CE1-CB 3.82Å; F8-K68 HydrophobicContact CE1-CD 4.11Å; F8-K68 HydrophobicContact CE1-CG 3.61Å; F8-K68 HydrophobicContact CZ-CB 3.85Å; F8-K68 HydrophobicContact CZ-CG 4.17Å; F8-K68 VanDerWaalsContact O-CD 3.28Å; F8-K68 WeakPolarHBondContact O-CD 3.34Å; F8-K68 WeakPolarHBondContact O-CE 3.43Å; F8-K68 PolarHBondContact O-NZ 3.16Å; F8-I71 HydrophobicContact CE1-CG1 4.32Å; F8-L118 HydrophobicContact CD1-CD1 3.91Å; F8-L118 HydrophobicContact CD2-CD1 3.77Å; F8-L118 HydrophobicContact CE1-CD1 3.66Å; F8-L118 HydrophobicContact CE1-CD2 4.34Å; F8-L118 HydrophobicContact CE2-CD1 3.52Å; F8-L118 HydrophobicContact CG-CD1 3.98Å; F8-L118 HydrophobicContact CZ-CD1 3.5Å; F8-L118 VanDerWaalsContact CZ-CD1 3.5Å; F8-Q121 HydrophobicContact CD2-CG 4.33Å; F8-Q121 HydrophobicContact CE2-CG 4.24Å; F8-W148 HydrophobicContact CD1-CH2 4.4Å; F8-W148 HydrophobicContact CE1-CH2 4.34Å
9G97.6Very high95Very high11 Ų1121 Ų2111%0.11311%0.108CC..  trans-77.2165.2177.200000113D7 S12 T37D7-G9 PolarHBondContact O-N 3.08Å; D7-G9 PolarHBondContact OD1-N 3.09Å; G9-S12 WeakPolarHBondContact CA-O 3.46Å; G9-S12 PolarHBondContact N-O 2.86Å; G9-T37 WeakPolarHBondContact O-CB 3.36Å; G9-T37 WeakPolarHBondContact O-CG2 3.47Å; G9-T37 PolarHBondContact O-OG1 3.25Å
10N97.5Very high94Very high7 Ų730.6 Ų30.64%0.03715%0.152CC..SBendtrans-72.5-31.4-178.8-173.979000113.6S66 K68 H205 S206N10-S66 PolarHBondContact ND2-OG 3.44Å; N10-K68 HydrophobicContact CB-CB 4.17Å; N10-K68 HydrophobicContact CB-CD 4.18Å; N10-K68 WeakPolarHBondContact OD1-CB 3.46Å; N10-H205 PolarHBondContact ND2-CE1 3.32Å; N10-H205 PolarHBondContact ND2-ND1 2.94Å; N10-S206 VanDerWaalsContact CB-OG 3.3Å; N10-S206 WeakPolarHBondContact CB-OG 3.15Å
11Q97.5Very high93Very high60 Ų6033.2 Ų33.228%0.2819%0.187SC..SBendtrans-108.2-34.9179.2-174.1-172.832.800111.9P36 T37 H205 E271Q11-P36 WeakPolarHBondContact O-CA 3.43Å; Q11-T37 PolarHBondContact O-N 2.84Å; Q11-H205 HydrophobicContact CB-CB 3.86Å; Q11-H205 VanDerWaalsContact CD-CD2 3.46Å; Q11-H205 PolarHBondContact OE1-CD2 3.2Å; Q11-E271 PolarHBondContact NE2-OE1 2.96Å; Q11-E271 PolarHBondContact NE2-OE2 3.36Å; Q11-E271 VanDerWaalsContact NE2-OE2 3.16Å
12S98Very high93.6Very high30 Ų3030 Ų3021%0.2118%0.178CC..EExtended strand (participates in β ladder)trans-146.2146.6-178.9-55.50000110.5G9 T35 T37G9-S12 WeakPolarHBondContact CA-O 3.46Å; G9-S12 PolarHBondContact N-O 2.86Å; S12-T35 CarbonylContact C-O 3.56Å; S12-T35 VanDerWaalsContact CA-O 3.32Å; S12-T35 WeakPolarHBondContact CA-O 3.11Å; S12-T37 WeakPolarHBondContact CA-OG1 3.28Å; S12-T37 PolarHBondContact N-OG1 3.5Å
13C98.7Very high94Very high0 Ų030.1 Ų30.10%018%0.176CC..EExtended strand (participates in β ladder)trans-103.9153.5171.8-57.70000110.4D7 T35 T37 L125D7-C13 CarbonylContact O-C 3.48Å; D7-C13 WeakPolarHBondContact O-CA 3.38Å; D7-C13 VanDerWaalsContact O-CB 3.24Å; D7-C13 WeakPolarHBondContact O-CB 3.43Å; C13-T35 PolarHBondContact N-O 2.84Å; C13-T35 PolarHBondContact O-N 3.21Å; C13-T37 PolarHBondContact SG-OG1 3.08Å; C13-L125 HydrophobicContact CB-CD1 3.93Å; C13-L125 HydrophobicContact CB-CD2 3.75Å; C13-L125 HydrophobicContact CB-CG 4.44Å
14Y98.7Very high94Very high30 Ų3032.5 Ų32.512%0.11819%0.187CC..EExtended strand (participates in β ladder)trans-131.3145172.5-64.3-89.8000110.3D7 V25 R33 A34 D369 E370D7-Y14 PolarHBondContact N-O 2.91Å; D7-Y14 PolarHBondContact O-N 3.21Å; Y14-V25 HydrophobicContact CD1-CG1 4.25Å; Y14-R33 HydrophobicContact CD1-CB 4.36Å; Y14-R33 WeakPolarHBondContact CD1-O 3.33Å; Y14-R33 HydrophobicContact CE1-CB 4.38Å; Y14-A34 HydrophobicContact CE1-CB 3.68Å; Y14-A34 WeakPolarHBondContact OH-CB 3.49Å; Y14-D369 WeakPolarHBondContact CD2-O 3.38Å; Y14-D369 HydrophobicContact CE1-CB 4.21Å; Y14-D369 HydrophobicContact CE2-CB 4.13Å; Y14-E370 HydrophobicContact CD1-CG 4.49Å
15V98.6Very high94Very high3 Ų333 Ų332%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-120.2124.8-178.9173.60000109V4 F6 V25 V26 L125 T129V4-V15 HydrophobicContact CG1-CG1 4.38Å; F6-V15 HydrophobicContact CD1-CB 4.29Å; F6-V15 HydrophobicContact CD1-CG1 4.06Å; F6-V15 HydrophobicContact CD1-CG2 3.78Å; F6-V15 HydrophobicContact CE1-CB 4.37Å; F6-V15 HydrophobicContact CE1-CG1 3.81Å; F6-V15 HydrophobicContact CE1-CG2 3.83Å; V15-V25 CarbonylContact O-C 3.31Å; V15-V25 VanDerWaalsContact O-CA 3.28Å; V15-V25 WeakPolarHBondContact O-CA 3.29Å; V15-V25 WeakPolarHBondContact O-CG1 3.28Å; V15-V26 HydrophobicContact CB-CB 4.39Å; V15-V26 HydrophobicContact CG1-CB 4.26Å; V15-V26 HydrophobicContact CG1-CG2 4.3Å; V15-V26 PolarHBondContact O-N 2.86Å; V15-L125 HydrophobicContact CG2-CB 3.95Å; V15-L125 HydrophobicContact CG2-CD1 4.42Å; V15-L125 HydrophobicContact CG2-CD2 3.88Å; V15-L125 HydrophobicContact CG2-CG 4.27Å; V15-T129 HydrophobicContact CG1-CG2 4.32Å; V15-T129 VanDerWaalsContact CG1-OG1 3.25Å; V15-T129 WeakPolarHBondContact CG1-OG1 3.29Å
16G98.2Very high93.9Very high0 Ų033.2 Ų33.20%019%0.191CC..EExtended strand (participates in β ladder)trans-111.4141.717200000112.4V4 G5 E24 T377V4-G16 WeakPolarHBondContact CA-O 3.45Å; G5-G16 PolarHBondContact N-O 2.98Å; G5-G16 PolarHBondContact O-N 3.41Å; G16-E24 CarbonylContact C-O 3.59Å; G16-E24 VanDerWaalsContact CA-O 3.24Å; G16-E24 WeakPolarHBondContact CA-O 3.36Å; G16-T377 WeakPolarHBondContact CA-OG1 3.43Å; G16-T377 PolarHBondContact O-OG1 3.25Å
17V97.4Very high93.9Very high0 Ų035.8 Ų35.80%021%0.207CC..EExtended strand (participates in β ladder)trans-127.3152.4174.8-60.10000111.2V3 V4 I23 E24 V26 T129 Y132 L133V3-V17 WeakPolarHBondContact O-CA 3.32Å; V4-V17 HydrophobicContact CG2-CG1 4.41Å; V17-I23 WeakPolarHBondContact O-CA 3.25Å; V17-E24 HydrophobicContact CG2-CG 3.47Å; V17-E24 VanDerWaalsContact CG2-CG 3.47Å; V17-E24 WeakPolarHBondContact CG2-OE1 3.46Å; V17-E24 PolarHBondContact N-O 2.66Å; V17-E24 PolarHBondContact O-N 3.21Å; V17-V26 HydrophobicContact CB-CG2 4.31Å; V17-V26 HydrophobicContact CG1-CG2 3.73Å; V17-V26 HydrophobicContact CG2-CG2 3.65Å; V17-T129 HydrophobicContact CG1-CG2 3.61Å; V17-Y132 HydrophobicContact CG2-CD1 4.29Å; V17-Y132 HydrophobicContact CG2-CE1 4.05Å; V17-L133 HydrophobicContact CB-CD2 4.3Å; V17-L133 HydrophobicContact CG1-CD1 4.21Å; V17-L133 HydrophobicContact CG1-CD2 4.37Å; V17-L133 HydrophobicContact CG1-CG 4.39Å; V17-L133 HydrophobicContact CG2-CD2 4.23Å
18A93Very high93.8Very high15 Ų1535.4 Ų35.412%0.12421%0.205CC..EExtended strand (participates in β ladder)trans-101.6129.7172.500000111.6V3 G22 I23 T377 F387V3-A18 HydrophobicContact CB-CB 3.75Å; V3-A18 HydrophobicContact CG1-CB 3.63Å; V3-A18 PolarHBondContact O-N 3.34Å; V3-A18 VanDerWaalsContact O-N 3.15Å; A18-G22 WeakPolarHBondContact CA-O 3.45Å; A18-I23 HydrophobicContact CB-CG1 4.2Å; A18-T377 HydrophobicContact CB-CG2 4.25Å; A18-F387 HydrophobicContact CB-CD2 4.14Å; A18-F387 HydrophobicContact CB-CE1 4.45Å; A18-F387 HydrophobicContact CB-CE2 3.61Å; A18-F387 HydrophobicContact CB-CZ 3.79Å
19R85Confident93.6Very high101 Ų10139.5 Ų39.538%0.38123%0.227SC..EExtended strand (participates in β ladder)trans-126.1177.1173.2-75.2-157.8162.8160.8-6.6110.9G21 G22 E24 Y132R19-G21 PolarHBondContact O-N 3.21Å; R19-G22 PolarHBondContact N-O 2.94Å; R19-G22 PolarHBondContact O-N 3.17Å; R19-E24 WeakPolarHBondContact CD-OE1 3.45Å; R19-E24 WeakPolarHBondContact CG-OE1 3.43Å; R19-E24 IonicContact NE-OE1 3.9Å; R19-E24 IonicContact NH1-OE1 3.28Å; R19-Y132 PolarHBondContact NH2-O 3.23Å
20Q76.6Confident93.6Very high212 Ų21243.3 Ų43.399%0.99124%0.239SC*.THydrogen-bonded Turntrans-55.2-21.6179.4-69.4-178.1-2.600113.6
21G72.8Confident93.5Very high87 Ų8747.7 Ų47.790%0.89727%0.27SS*.THydrogen-bonded Turntrans-93.62.5176.300000116.1R19R19-G21 PolarHBondContact O-N 3.21Å
22G86.6Confident93.5Very high26 Ų2648.2 Ų48.227%0.26828%0.277SS..EExtended strand (participates in β ladder)trans112.7-150.5-175.800000112.9A18 R19A18-G22 WeakPolarHBondContact CA-O 3.45Å; R19-G22 PolarHBondContact N-O 2.94Å; R19-G22 PolarHBondContact O-N 3.17Å
23I92.7Very high93.5Very high27 Ų2752.7 Ų52.714%0.13829%0.289CS..EExtended strand (participates in β ladder)trans-102.4131.4-176.5-68.4171.1000110.5V17 A18 R374 T377 L378V17-I23 WeakPolarHBondContact O-CA 3.25Å; A18-I23 HydrophobicContact CB-CG1 4.2Å; I23-R374 HydrophobicContact CG2-CB 4.33Å; I23-R374 HydrophobicContact CG2-CG 4.07Å; I23-T377 HydrophobicContact CD1-CG2 3.97Å; I23-T377 HydrophobicContact CG1-CG2 3.89Å; I23-T377 HydrophobicContact CG2-CG2 3.91Å; I23-L378 HydrophobicContact CD1-CB 4.12Å; I23-L378 HydrophobicContact CD1-CD1 4.47Å; I23-L378 HydrophobicContact CD1-CD2 3.29Å; I23-L378 HydrophobicContact CD1-CG 3.3Å
24E94.7Very high93.5Very high57 Ų5754.1 Ų54.127%0.26630%0.301SS..EExtended strand (participates in β ladder)trans-125.5150.2177.267-165.3166.100110.7G16 V17 R19 Y132G16-E24 CarbonylContact C-O 3.59Å; G16-E24 VanDerWaalsContact CA-O 3.24Å; G16-E24 WeakPolarHBondContact CA-O 3.36Å; V17-E24 HydrophobicContact CG2-CG 3.47Å; V17-E24 VanDerWaalsContact CG2-CG 3.47Å; V17-E24 WeakPolarHBondContact CG2-OE1 3.46Å; V17-E24 PolarHBondContact N-O 2.66Å; V17-E24 PolarHBondContact O-N 3.21Å; R19-E24 WeakPolarHBondContact CD-OE1 3.45Å; R19-E24 WeakPolarHBondContact CG-OE1 3.43Å; R19-E24 IonicContact NE-OE1 3.9Å; R19-E24 IonicContact NH1-OE1 3.28Å; E24-Y132 VanDerWaalsContact OE1-CE1 3.24Å; E24-Y132 WeakPolarHBondContact OE1-CE1 3.32Å; E24-Y132 PolarHBondContact OE1-OH 3.13Å; E24-Y132 PolarHBondContact OE2-OH 3.07Å
25V97.5Very high93.5Very high12 Ų1252.8 Ų52.87%0.07330%0.296CS..EExtended strand (participates in β ladder)trans-97.7126.9172.1176.80000108.8Y14 V15 R33 E370 R374Y14-V25 HydrophobicContact CD1-CG1 4.25Å; V15-V25 CarbonylContact O-C 3.31Å; V15-V25 VanDerWaalsContact O-CA 3.28Å; V15-V25 WeakPolarHBondContact O-CA 3.29Å; V15-V25 WeakPolarHBondContact O-CG1 3.28Å; V25-R33 HydrophobicContact CG1-CB 4.06Å; V25-R33 HydrophobicContact CG1-CG 4.21Å; V25-E370 HydrophobicContact CB-CG 4.22Å; V25-E370 HydrophobicContact CG1-CG 4.17Å; V25-E370 HydrophobicContact CG2-CB 3.85Å; V25-E370 HydrophobicContact CG2-CG 3.8Å; V25-E370 WeakPolarHBondContact CG2-OE2 3.41Å; V25-R374 HydrophobicContact CG2-CG 4.06Å
26V96.8Very high93.5Very high3 Ų353.6 Ų53.62%0.01830%0.301CS..PPolyproline II helixtrans-80.3144.3-171.6175.60000110.8V15 V17 I128 Y132V15-V26 HydrophobicContact CB-CB 4.39Å; V15-V26 HydrophobicContact CG1-CB 4.26Å; V15-V26 HydrophobicContact CG1-CG2 4.3Å; V15-V26 PolarHBondContact O-N 2.86Å; V17-V26 HydrophobicContact CB-CG2 4.31Å; V17-V26 HydrophobicContact CG1-CG2 3.73Å; V17-V26 HydrophobicContact CG2-CG2 3.65Å; V26-I128 HydrophobicContact CG1-CG2 3.77Å; V26-Y132 HydrophobicContact CB-CG 4.33Å; V26-Y132 HydrophobicContact CG1-CD1 4.18Å; V26-Y132 HydrophobicContact CG1-CD2 3.66Å; V26-Y132 HydrophobicContact CG1-CE2 4.45Å; V26-Y132 HydrophobicContact CG1-CG 3.5Å; V26-Y132 HydrophobicContact CG2-CD1 3.72Å; V26-Y132 HydrophobicContact CG2-CD2 4.43Å; V26-Y132 HydrophobicContact CG2-CE1 4.07Å; V26-Y132 HydrophobicContact CG2-CG 3.94Å
27T98Very high93.5Very high54 Ų5453.7 Ų53.733%0.33130%0.302SS..PPolyproline II helixtrans-86.4142.8168.552.60000110.8V32 R33T27-V32 CarbonylContact C-O 3.55Å; T27-V32 WeakPolarHBondContact CA-O 3.46Å; T27-R33 HydrophobicContact CG2-CG 4.01Å
28N97.1Very high93.6Very high9 Ų953.7 Ų53.75%0.04830%0.302CS..  trans-75.5-175.1171.665.125.2000112.7Y30 S31 V32 A34 T35 T50 I128N28-Y30 PolarHBondContact O-N 2.9Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.33Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.35Å; N28-Y30 PolarHBondContact OD1-N 2.5Å; N28-S31 PolarHBondContact O-N 3.29Å; N28-V32 PolarHBondContact N-O 3.36Å; N28-V32 PolarHBondContact ND2-O 3.06Å; N28-V32 VanDerWaalsContact OD1-CG2 3.31Å; N28-V32 WeakPolarHBondContact OD1-CG2 3.34Å; N28-V32 PolarHBondContact OD1-N 3.07Å; N28-V32 PolarHBondContact OD1-O 2.95Å; N28-A34 PolarHBondContact ND2-O 3.34Å; N28-T35 WeakPolarHBondContact CB-OG1 3.33Å; N28-T35 PolarHBondContact ND2-OG1 2.92Å; N28-T35 VanDerWaalsContact ND2-OG1 3.15Å; N28-T50 PolarHBondContact ND2-OG1 2.85Å; N28-T50 VanDerWaalsContact ND2-OG1 3.16Å; N28-I128 HydrophobicContact CB-CD1 3.59Å; N28-I128 HydrophobicContact CB-CG1 3.98Å; N28-I128 HydrophobicContact CB-CG2 4.32Å
29D93.5Very high93.8Very high86 Ų8653 Ų5346%0.4630%0.296SS..THydrogen-bonded Turntrans-57.7-11.6176.148.5-20000114.6K124D29-K124 IonicContact OD1-NZ 2.68Å; D29-K124 WeakPolarHBondContact OD2-CE 3.19Å; D29-K124 IonicContact OD2-NZ 3.54Å; D29-K124 PolarHBondContact OD2-NZ 2.82Å
30Y96Very high94.4Very high90 Ų9048.2 Ų48.235%0.35328%0.279SS..THydrogen-bonded Turntrans-108.217.2173.8-68-102.7000112.8N28 V32 T50 S51 Q54N28-Y30 PolarHBondContact O-N 2.9Å; N28-Y30 WeakPolarHBondContact OD1-CA 3.33Å; N28-Y30 WeakPolarHBondContact OD1-CB 3.35Å; N28-Y30 PolarHBondContact OD1-N 2.5Å; Y30-V32 PolarHBondContact O-N 2.92Å; Y30-V32 VanDerWaalsContact O-N 3.15Å; Y30-T50 HydrophobicContact CD1-CG2 3.76Å; Y30-T50 VanDerWaalsContact CD2-CB 3.42Å; Y30-T50 HydrophobicContact CD2-CG2 3.55Å; Y30-T50 HydrophobicContact CE1-CG2 4.04Å; Y30-T50 HydrophobicContact CE2-CG2 3.85Å; Y30-T50 HydrophobicContact CG-CG2 3.48Å; Y30-T50 VanDerWaalsContact CG-CG2 3.48Å; Y30-S51 WeakPolarHBondContact OH-CB 3.45Å; Y30-Q54 PolarHBondContact OH-OE1 3.37Å; Y30-Q54 VanDerWaalsContact OH-OE1 3.06Å
31S96.9Very high95.3Very high100 Ų10038.4 Ų38.470%0.69923%0.232SC*.SBendtrans59.423.7178.5-58.70000114.7N28N28-S31 PolarHBondContact O-N 3.29Å
32V97.5Very high96.1Very high70 Ų7035.2 Ų35.242%0.42420%0.2SC..  trans-116.7146.9174.3-64.30000110.5T27 N28 Y30T27-V32 CarbonylContact C-O 3.55Å; T27-V32 WeakPolarHBondContact CA-O 3.46Å; N28-V32 PolarHBondContact N-O 3.36Å; N28-V32 PolarHBondContact ND2-O 3.06Å; N28-V32 VanDerWaalsContact OD1-CG2 3.31Å; N28-V32 WeakPolarHBondContact OD1-CG2 3.34Å; N28-V32 PolarHBondContact OD1-N 3.07Å; N28-V32 PolarHBondContact OD1-O 2.95Å; Y30-V32 PolarHBondContact O-N 2.92Å; Y30-V32 VanDerWaalsContact O-N 3.15Å
33R97.8Very high96Very high124 Ų12437.2 Ų37.247%0.46821%0.21SC..SBendtrans-75.2-30.8-177.9-67.7-177.6-176.2158.16.8113.7Y14 V25 T27 E370Y14-R33 HydrophobicContact CD1-CB 4.36Å; Y14-R33 WeakPolarHBondContact CD1-O 3.33Å; Y14-R33 HydrophobicContact CE1-CB 4.38Å; V25-R33 HydrophobicContact CG1-CB 4.06Å; V25-R33 HydrophobicContact CG1-CG 4.21Å; T27-R33 HydrophobicContact CG2-CG 4.01Å; R33-E370 WeakPolarHBondContact CD-OE1 3.28Å; R33-E370 IonicContact CZ-OE1 3.3Å; R33-E370 IonicContact NE-OE1 2.71Å; R33-E370 IonicContact NH1-OE1 3.5Å; R33-E370 PolarHBondContact NH1-OE1 3.4Å; R33-E370 IonicContact NH1-OE2 3.49Å
34A98Very high95.5Very high30 Ų3037.8 Ų37.825%0.24821%0.213CC..  trans-84.2118.9179.500000109.6Y14 N28Y14-A34 HydrophobicContact CE1-CB 3.68Å; Y14-A34 WeakPolarHBondContact OH-CB 3.49Å; N28-A34 PolarHBondContact ND2-O 3.34Å
35T98.6Very high95.2Very high3 Ų336.2 Ų36.22%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-100.9115.3172.9-63.50000108.7S12 C13 N28 T37 L125 I128S12-T35 CarbonylContact C-O 3.56Å; S12-T35 VanDerWaalsContact CA-O 3.32Å; S12-T35 WeakPolarHBondContact CA-O 3.11Å; C13-T35 PolarHBondContact N-O 2.84Å; C13-T35 PolarHBondContact O-N 3.21Å; N28-T35 WeakPolarHBondContact CB-OG1 3.33Å; N28-T35 PolarHBondContact ND2-OG1 2.92Å; N28-T35 VanDerWaalsContact ND2-OG1 3.15Å; T35-T37 PolarHBondContact O-N 3.27Å; T35-L125 HydrophobicContact CG2-CD2 4.16Å; T35-I128 HydrophobicContact CG2-CD1 3.97Å
36P98.6Very high95Very high19 Ų1937.3 Ų37.312%0.12321%0.209CC..EExtended strand (participates in β ladder)trans-53138.6179.1-29.636.5000113Q11 C38 G49 T50 W53 Q121Q11-P36 WeakPolarHBondContact O-CA 3.43Å; P36-C38 VanDerWaalsContact C-N 3.27Å; P36-C38 HydrophobicContact CB-CB 4.4Å; P36-C38 PolarHBondContact O-N 3.33Å; P36-G49 WeakPolarHBondContact O-CA 3.23Å; P36-T50 WeakPolarHBondContact CD-OG1 3.36Å; P36-W53 HydrophobicContact CB-CB 3.87Å; P36-W53 HydrophobicContact CB-CG 4.22Å; P36-W53 HydrophobicContact CG-CB 3.93Å; P36-W53 HydrophobicContact CG-CG 4.21Å; P36-Q121 PolarHBondContact O-OE1 2.97Å
37T98.6Very high94.9Very high3 Ų338 Ų382%0.01821%0.214CC..SBendtrans-80.679.3174-53.30000108.9F8 G9 Q11 S12 C13 T35 F67F8-T37 HydrophobicContact CD2-CG2 4.21Å; F8-T37 HydrophobicContact CE2-CG2 3.47Å; F8-T37 VanDerWaalsContact CE2-CG2 3.47Å; F8-T37 HydrophobicContact CZ-CG2 4.22Å; G9-T37 WeakPolarHBondContact O-CB 3.36Å; G9-T37 WeakPolarHBondContact O-CG2 3.47Å; G9-T37 PolarHBondContact O-OG1 3.25Å; Q11-T37 PolarHBondContact O-N 2.84Å; S12-T37 WeakPolarHBondContact CA-OG1 3.28Å; S12-T37 PolarHBondContact N-OG1 3.5Å; C13-T37 PolarHBondContact SG-OG1 3.08Å; T35-T37 PolarHBondContact O-N 3.27Å; T37-F67 HydrophobicContact CG2-CD1 4.41Å; T37-F67 HydrophobicContact CG2-CE1 3.63Å; T37-F67 HydrophobicContact CG2-CZ 3.7Å
38C98.6Very high94.8Very high0 Ų036.1 Ų36.10%020%0.202CC..EExtended strand (participates in β ladder)trans-152.2133.7-171.1-170.90000111.8P36 I48 G49 A52 W53 V64 F65 Q121P36-C38 VanDerWaalsContact C-N 3.27Å; P36-C38 HydrophobicContact CB-CB 4.4Å; P36-C38 PolarHBondContact O-N 3.33Å; C38-I48 WeakPolarHBondContact O-CA 3.46Å; C38-G49 PolarHBondContact O-N 2.94Å; C38-A52 HydrophobicContact CB-CB 4.01Å; C38-A52 VanDerWaalsContact O-CB 3.32Å; C38-A52 WeakPolarHBondContact O-CB 3.26Å; C38-W53 HydrophobicContact CB-CE3 4.39Å; C38-V64 WeakPolarHBondContact CA-O 3.19Å; C38-F65 HydrophobicContact CB-CB 4.28Å; C38-Q121 VanDerWaalsContact N-OE1 3.1Å
39V98.4Very high94.9Very high0 Ų035.7 Ų35.70%020%0.2CC..EExtended strand (participates in β ladder)trans-126.1116.9174.2-175.60000108.2Y41 R46 I48 V64 V117 A120V39-Y41 HydrophobicContact CB-CE2 4.15Å; V39-Y41 HydrophobicContact CG1-CD2 4.26Å; V39-Y41 HydrophobicContact CG1-CE1 4.21Å; V39-Y41 HydrophobicContact CG1-CE2 3.54Å; V39-Y41 VanDerWaalsContact CG1-CZ 3.49Å; V39-Y41 WeakPolarHBondContact CG1-OH 3.28Å; V39-R46 VanDerWaalsContact CG1-CD 3.48Å; V39-R46 HydrophobicContact CG1-CG 3.58Å; V39-I48 HydrophobicContact CG1-CG1 4.35Å; V39-I48 HydrophobicContact CG2-CG2 4.16Å; V39-V64 PolarHBondContact N-O 3.01Å; V39-V64 PolarHBondContact O-N 2.87Å; V39-V117 HydrophobicContact CB-CG1 3.97Å; V39-V117 HydrophobicContact CG2-CG1 3.72Å; V39-A120 HydrophobicContact CG1-CB 4.22Å; V39-A120 HydrophobicContact CG2-CB 4.11Å
40S97.5Very high95.1Very high1 Ų132.4 Ų32.41%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-107.1121.2178.7-166.70000110.5R46 S47 N59 S63S40-R46 CarbonylContact O-C 3.52Å; S40-R46 WeakPolarHBondContact O-CA 3.35Å; S40-S47 PolarHBondContact N-O 3.04Å; S40-S47 PolarHBondContact O-N 3.47Å; S40-N59 PolarHBondContact OG-ND2 2.96Å; S40-S63 WeakPolarHBondContact CB-OG 3.46Å; S40-S63 PolarHBondContact OG-OG 2.99Å
41Y95.8Very high95.1Very high5 Ų529.2 Ų29.22%0.0217%0.173CC..EExtended strand (participates in β ladder)trans-94.3103.6178.9-62.3-91.3000108.9V39 R46 N59 N62 V64 V103 H105 L112V39-Y41 HydrophobicContact CB-CE2 4.15Å; V39-Y41 HydrophobicContact CG1-CD2 4.26Å; V39-Y41 HydrophobicContact CG1-CE1 4.21Å; V39-Y41 HydrophobicContact CG1-CE2 3.54Å; V39-Y41 VanDerWaalsContact CG1-CZ 3.49Å; V39-Y41 WeakPolarHBondContact CG1-OH 3.28Å; Y41-R46 HydrophobicContact CD1-CB 4.44Å; Y41-R46 HydrophobicContact CD1-CG 4Å; Y41-R46 HydrophobicContact CE1-CG 3.95Å; Y41-N59 PolarHBondContact O-ND2 3.24Å; Y41-N62 WeakPolarHBondContact CD2-O 3.44Å; Y41-N62 PolarHBondContact N-O 2.85Å; Y41-N62 VanDerWaalsContact O-CB 3.24Å; Y41-N62 WeakPolarHBondContact O-CB 3.38Å; Y41-V64 HydrophobicContact CD2-CG2 4.19Å; Y41-V64 HydrophobicContact CE2-CG2 3.87Å; Y41-V103 HydrophobicContact CD1-CG2 4.22Å; Y41-V103 HydrophobicContact CD2-CB 4.1Å; Y41-V103 HydrophobicContact CD2-CG1 3.82Å; Y41-V103 HydrophobicContact CD2-CG2 3.93Å; Y41-V103 HydrophobicContact CE2-CG1 4.34Å; Y41-V103 HydrophobicContact CE2-CG2 4.45Å; Y41-V103 HydrophobicContact CG-CB 4.22Å; Y41-V103 HydrophobicContact CG-CG1 4.44Å; Y41-V103 HydrophobicContact CG-CG2 3.81Å; Y41-H105 HydrophobicContact CD1-CB 4.37Å; Y41-H105 AromaticContact CD1-CG 3.96Å; Y41-L112 HydrophobicContact CD1-CD1 4.14Å; Y41-L112 HydrophobicContact CD2-CD1 4.38Å; Y41-L112 HydrophobicContact CE1-CD1 3.4Å; Y41-L112 VanDerWaalsContact CE1-CD1 3.4Å; Y41-L112 HydrophobicContact CE2-CD1 3.7Å; Y41-L112 VanDerWaalsContact OH-CD1 3.27Å; Y41-L112 WeakPolarHBondContact OH-CD1 3.42Å
42G89.1Confident95.1Very high21 Ų2124.4 Ų24.422%0.21614%0.14CC..  trans-79.3-176.4175.600000112.5N44 L45 H105G42-N44 VanDerWaalsContact C-N 3.32Å; G42-N44 PolarHBondContact O-N 2.86Å; G42-L45 VanDerWaalsContact CA-O 3.24Å; G42-L45 WeakPolarHBondContact CA-O 3.4Å; G42-L45 PolarHBondContact N-O 2.75Å; G42-H105 PolarHBondContact O-ND1 2.89Å
43S84.5Confident95.1Very high68 Ų6825 Ų2548%0.47613%0.134SC..SBendtrans-56.9-43.2178.746.30000112.1A106 G107 N606S43-A106 WeakPolarHBondContact O-CA 3.32Å; S43-A106 PolarHBondContact O-N 3.06Å; S43-G107 PolarHBondContact O-N 2.95Å; S43-N606 PolarHBondContact OG-ND2 2.83Å; S43-N606 PolarHBondContact OG-OD1 3.38Å; S43-N606 VanDerWaalsContact OG-OD1 3.05Å
44N81.6Confident95Very high39 Ų3925.1 Ų25.121%0.20914%0.14CC..SBendtrans-131.1-25.9174.2-73.3-36000115.6G42 K555 N606G42-N44 VanDerWaalsContact C-N 3.32Å; G42-N44 PolarHBondContact O-N 2.86Å; N44-K555 WeakPolarHBondContact O-CE 3.48Å; N44-K555 PolarHBondContact O-NZ 2.92Å; N44-N606 HydrophobicContact CB-CB 3.68Å; N44-N606 PolarHBondContact N-OD1 3.13Å; N44-N606 WeakPolarHBondContact ND2-CB 3.46Å; N44-N606 PolarHBondContact ND2-O 3.41Å
45L88.5Confident94.7Very high24 Ų2427.2 Ų27.213%0.12614%0.144CC..  trans-107.7151.7175.5-70.1174.9000112.8G42 K555 K559 E605G42-L45 VanDerWaalsContact CA-O 3.24Å; G42-L45 WeakPolarHBondContact CA-O 3.4Å; G42-L45 PolarHBondContact N-O 2.75Å; L45-K555 HydrophobicContact CD2-CD 4.01Å; L45-K555 HydrophobicContact CD2-CG 3.79Å; L45-K559 HydrophobicContact CD1-CD 3.37Å; L45-E605 VanDerWaalsContact CD1-O 3.22Å; L45-E605 WeakPolarHBondContact CD1-O 3.47Å
46R93.5Very high94.6Very high34 Ų3427.1 Ų27.113%0.12814%0.144CC..EExtended strand (participates in β ladder)trans-96.7130.6168.7-175.3175.275-172.74.3108.8V39 S40 Y41 I48 A120 E123 D549V39-R46 VanDerWaalsContact CG1-CD 3.48Å; V39-R46 HydrophobicContact CG1-CG 3.58Å; S40-R46 CarbonylContact O-C 3.52Å; S40-R46 WeakPolarHBondContact O-CA 3.35Å; Y41-R46 HydrophobicContact CD1-CB 4.44Å; Y41-R46 HydrophobicContact CD1-CG 4Å; Y41-R46 HydrophobicContact CE1-CG 3.95Å; R46-I48 HydrophobicContact CG-CG1 4.18Å; R46-A120 VanDerWaalsContact NH2-CB 3.32Å; R46-E123 IonicContact NH2-OE2 3.28Å; R46-E123 PolarHBondContact NH2-OE2 2.9Å; R46-D549 IonicContact CZ-OD1 2.66Å; R46-D549 IonicContact NH1-OD1 3.69Å; R46-D549 PolarHBondContact NH1-OD1 2.83Å; R46-D549 IonicContact NH2-OD1 3.7Å; R46-D549 PolarHBondContact NH2-OD1 3.29Å
47S94.4Very high94.4Very high17 Ų1728.8 Ų28.812%0.11915%0.151CC..EExtended strand (participates in β ladder)trans-104.4146.4170.5-60.40000109S40 A52 K55S40-S47 PolarHBondContact N-O 3.04Å; S40-S47 PolarHBondContact O-N 3.47Å; S47-A52 WeakPolarHBondContact O-CB 3.44Å; S47-K55 PolarHBondContact OG-NZ 2.61Å
48I97.5Very high94.1Very high16 Ų1634.3 Ų34.38%0.08219%0.185CC..EExtended strand (participates in β ladder)trans-138.8143.9-173.7-46.6174.5000109.5C38 V39 R46 S51 A120 K124C38-I48 WeakPolarHBondContact O-CA 3.46Å; V39-I48 HydrophobicContact CG1-CG1 4.35Å; V39-I48 HydrophobicContact CG2-CG2 4.16Å; R46-I48 HydrophobicContact CG-CG1 4.18Å; I48-S51 PolarHBondContact N-OG 2.91Å; I48-S51 PolarHBondContact O-OG 2.62Å; I48-A120 HydrophobicContact CD1-CB 4Å; I48-A120 WeakPolarHBondContact CD1-O 3.12Å; I48-K124 HydrophobicContact CB-CB 3.89Å; I48-K124 HydrophobicContact CB-CG 4.04Å; I48-K124 HydrophobicContact CD1-CB 4.37Å; I48-K124 HydrophobicContact CG2-CB 3.44Å; I48-K124 VanDerWaalsContact CG2-CB 3.44Å; I48-K124 HydrophobicContact CG2-CG 3.89Å
49G98Very high94Very high0 Ų035.9 Ų35.90%019%0.194CC..THydrogen-bonded Turntrans75.5-133.3178.100000112.6P36 C38 S51 A52 W53P36-G49 WeakPolarHBondContact O-CA 3.23Å; C38-G49 PolarHBondContact O-N 2.94Å; G49-S51 VanDerWaalsContact C-N 3.32Å; G49-S51 PolarHBondContact O-N 2.8Å; G49-A52 WeakPolarHBondContact O-CB 3.43Å; G49-A52 PolarHBondContact O-N 2.8Å; G49-W53 PolarHBondContact O-N 3.49Å
50T97.9Very high93.9Very high17 Ų1736.8 Ų36.810%0.10420%0.198CC..Hα-helixtrans-61.7-41-177.4-55.10000111.9N28 Y30 P36 A52 W53 Q54N28-T50 PolarHBondContact ND2-OG1 2.85Å; N28-T50 VanDerWaalsContact ND2-OG1 3.16Å; Y30-T50 HydrophobicContact CD1-CG2 3.76Å; Y30-T50 VanDerWaalsContact CD2-CB 3.42Å; Y30-T50 HydrophobicContact CD2-CG2 3.55Å; Y30-T50 HydrophobicContact CE1-CG2 4.04Å; Y30-T50 HydrophobicContact CE2-CG2 3.85Å; Y30-T50 HydrophobicContact CG-CG2 3.48Å; Y30-T50 VanDerWaalsContact CG-CG2 3.48Å; P36-T50 WeakPolarHBondContact CD-OG1 3.36Å; T50-A52 VanDerWaalsContact C-N 3.31Å; T50-A52 PolarHBondContact O-N 3.32Å; T50-W53 PolarHBondContact O-N 2.89Å; T50-Q54 WeakPolarHBondContact O-CG 3.36Å; T50-Q54 PolarHBondContact O-N 2.81Å
51S95.2Very high93.9Very high22 Ų2243.8 Ų43.815%0.15423%0.228CC..Hα-helixtrans-62.1-37.617765.30000112.5Y30 I48 G49 K55Y30-S51 WeakPolarHBondContact OH-CB 3.45Å; I48-S51 PolarHBondContact N-OG 2.91Å; I48-S51 PolarHBondContact O-OG 2.62Å; G49-S51 VanDerWaalsContact C-N 3.32Å; G49-S51 PolarHBondContact O-N 2.8Å; S51-K55 WeakPolarHBondContact O-CG 3.42Å
52A97.6Very high94Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-66.7-44.8173.900000111.6C38 S47 G49 T50 Q54 K55 V56C38-A52 HydrophobicContact CB-CB 4.01Å; C38-A52 VanDerWaalsContact O-CB 3.32Å; C38-A52 WeakPolarHBondContact O-CB 3.26Å; S47-A52 WeakPolarHBondContact O-CB 3.44Å; G49-A52 WeakPolarHBondContact O-CB 3.43Å; G49-A52 PolarHBondContact O-N 2.8Å; T50-A52 VanDerWaalsContact C-N 3.31Å; T50-A52 PolarHBondContact O-N 3.32Å; A52-Q54 PolarHBondContact O-N 2.93Å; A52-K55 PolarHBondContact O-N 3.35Å; A52-K55 VanDerWaalsContact O-N 3.08Å; A52-V56 PolarHBondContact O-N 2.95Å
53W97.4Very high94.4Very high81 Ų8144 Ų4431%0.30723%0.225SC..Hα-helixtrans-63.8-39-177.9-172.4-109.8000112.5P36 C38 G49 T50 K55 V56 F65P36-W53 HydrophobicContact CB-CB 3.87Å; P36-W53 HydrophobicContact CB-CG 4.22Å; P36-W53 HydrophobicContact CG-CB 3.93Å; P36-W53 HydrophobicContact CG-CG 4.21Å; C38-W53 HydrophobicContact CB-CE3 4.39Å; G49-W53 PolarHBondContact O-N 3.49Å; T50-W53 PolarHBondContact O-N 2.89Å; W53-K55 PolarHBondContact O-N 3.3Å; W53-V56 HydrophobicContact CD2-CG1 4.47Å; W53-V56 HydrophobicContact CE3-CB 4.39Å; W53-V56 HydrophobicContact CE3-CG1 4.36Å; W53-V56 HydrophobicContact CE3-CG2 4.46Å; W53-V56 HydrophobicContact CZ3-CG2 4.39Å; W53-V56 WeakPolarHBondContact O-CB 3.41Å; W53-V56 WeakPolarHBondContact O-CG1 3.35Å; W53-V56 PolarHBondContact O-N 2.97Å; W53-V56 VanDerWaalsContact O-N 3.13Å; W53-F65 HydrophobicContact CZ3-CB 4.46Å; W53-F65 HydrophobicContact CZ3-CD2 4.47Å; W53-F65 HydrophobicContact CZ3-CG 4.29Å
54Q95.2Very high95Very high127 Ų12740.8 Ų40.859%0.59320%0.203SC*.Hα-helixtrans-59.6-28.8174.3-73.6178.4-25.800112.9Y30 T50 A52Y30-Q54 PolarHBondContact OH-OE1 3.37Å; Y30-Q54 VanDerWaalsContact OH-OE1 3.06Å; T50-Q54 WeakPolarHBondContact O-CG 3.36Å; T50-Q54 PolarHBondContact O-N 2.81Å; A52-Q54 PolarHBondContact O-N 2.93Å
55K92.6Very high95.8Very high74 Ų7439.8 Ų39.832%0.32220%0.196SC..THydrogen-bonded Turntrans-93.2-1.4-179.8-62.3179.6-177.5-173.20113.6S47 S51 A52 W53 L57 T58 N59 E605S47-K55 PolarHBondContact OG-NZ 2.61Å; S51-K55 WeakPolarHBondContact O-CG 3.42Å; A52-K55 PolarHBondContact O-N 3.35Å; A52-K55 VanDerWaalsContact O-N 3.08Å; W53-K55 PolarHBondContact O-N 3.3Å; K55-L57 VanDerWaalsContact C-N 3.29Å; K55-L57 PolarHBondContact O-N 2.92Å; K55-T58 PolarHBondContact O-N 3.3Å; K55-T58 PolarHBondContact O-OG1 3.4Å; K55-T58 VanDerWaalsContact O-OG1 3.08Å; K55-N59 PolarHBondContact O-N 2.97Å; K55-E605 IonicContact NZ-OE1 3.34Å
56V96.3Very high96.2Very high2 Ų239 Ų391%0.01219%0.193CC..THydrogen-bonded Turntrans-60.3-36-170.875.90000112.9A52 W53 L60 F65 L264A52-V56 PolarHBondContact O-N 2.95Å; W53-V56 HydrophobicContact CD2-CG1 4.47Å; W53-V56 HydrophobicContact CE3-CB 4.39Å; W53-V56 HydrophobicContact CE3-CG1 4.36Å; W53-V56 HydrophobicContact CE3-CG2 4.46Å; W53-V56 HydrophobicContact CZ3-CG2 4.39Å; W53-V56 WeakPolarHBondContact O-CB 3.41Å; W53-V56 WeakPolarHBondContact O-CG1 3.35Å; W53-V56 PolarHBondContact O-N 2.97Å; W53-V56 VanDerWaalsContact O-N 3.13Å; V56-L60 HydrophobicContact CG2-CD1 4.31Å; V56-L60 WeakPolarHBondContact O-CA 3.43Å; V56-L60 VanDerWaalsContact O-CB 3.27Å; V56-L60 WeakPolarHBondContact O-CB 3.33Å; V56-L60 PolarHBondContact O-N 2.85Å; V56-L60 VanDerWaalsContact O-N 3.14Å; V56-F65 HydrophobicContact CG2-CD1 3.91Å; V56-F65 HydrophobicContact CG2-CE1 3.78Å; V56-L264 HydrophobicContact CG1-CD2 4.02Å; V56-L264 HydrophobicContact CG2-CD2 3.84Å
57L94Very high96.4Very high53 Ų5337.3 Ų37.328%0.27719%0.186SC..THydrogen-bonded Turntrans-78.7-28.2-178.6-71.3175.2000113.4K55 K261 L264 R265K55-L57 VanDerWaalsContact C-N 3.29Å; K55-L57 PolarHBondContact O-N 2.92Å; L57-K261 HydrophobicContact CD2-CG 4.14Å; L57-K261 WeakPolarHBondContact O-CE 3.46Å; L57-L264 HydrophobicContact CD2-CB 4.48Å; L57-L264 HydrophobicContact CD2-CD2 3.94Å; L57-L264 HydrophobicContact CD2-CG 4.2Å; L57-R265 HydrophobicContact CD1-CG 4.33Å; L57-R265 HydrophobicContact CD2-CG 3.86Å
58T93.9Very high96.5Very high120 Ų12037.1 Ų37.174%0.73618%0.183SC*.THydrogen-bonded Turntrans-88.6-27.2178.951.10000112K55K55-T58 PolarHBondContact O-N 3.3Å; K55-T58 PolarHBondContact O-OG1 3.4Å; K55-T58 VanDerWaalsContact O-OG1 3.08Å
59N95.3Very high96.4Very high33 Ų3336.6 Ų36.618%0.17618%0.181CC..SBendtrans-123.140.5-178.8-164.729.8000112.8S40 Y41 K55 K61 N62 S63S40-N59 PolarHBondContact OG-ND2 2.96Å; Y41-N59 PolarHBondContact O-ND2 3.24Å; K55-N59 PolarHBondContact O-N 2.97Å; N59-K61 PolarHBondContact O-N 2.95Å; N59-N62 CarbonylContact O-C 3.58Å; N59-N62 PolarHBondContact O-N 3.2Å; N59-N62 VanDerWaalsContact O-N 3.1Å; N59-N62 WeakPolarHBondContact OD1-CB 3.48Å; N59-N62 PolarHBondContact OD1-ND2 3.47Å; N59-S63 WeakPolarHBondContact O-CB 3.28Å; N59-S63 PolarHBondContact O-N 3.4Å; N59-S63 PolarHBondContact O-OG 2.94Å
60L96.8Very high96.4Very high18 Ų1836.6 Ų36.69%0.09418%0.181CC..G310 helixtrans-56.4-46.3-165.8-17956.6000115V56 N62 S63 F65 P88 P260 K261 L264V56-L60 HydrophobicContact CG2-CD1 4.31Å; V56-L60 WeakPolarHBondContact O-CA 3.43Å; V56-L60 VanDerWaalsContact O-CB 3.27Å; V56-L60 WeakPolarHBondContact O-CB 3.33Å; V56-L60 PolarHBondContact O-N 2.85Å; V56-L60 VanDerWaalsContact O-N 3.14Å; L60-N62 PolarHBondContact O-N 3Å; L60-S63 PolarHBondContact O-N 3.18Å; L60-F65 HydrophobicContact CD1-CE1 4.37Å; L60-P88 HydrophobicContact CD1-CB 3.51Å; L60-P88 HydrophobicContact CD1-CG 3.52Å; L60-P88 HydrophobicContact CD2-CB 4.13Å; L60-P88 HydrophobicContact CG-CB 3.56Å; L60-P88 HydrophobicContact CG-CG 4.12Å; L60-P260 HydrophobicContact CD2-CB 3.88Å; L60-K261 HydrophobicContact CD2-CB 4.03Å; L60-L264 HydrophobicContact CD1-CD2 3.49Å; L60-L264 VanDerWaalsContact CD1-CD2 3.49Å
61K96.5Very high96.3Very high148 Ų14835.8 Ų35.864%0.64318%0.176SC*.G310 helixtrans-71.2-16.1-178.1-65.4-174.6177.1-178.50113.8N59 Y89N59-K61 PolarHBondContact O-N 2.95Å; K61-Y89 VanDerWaalsContact O-CB 3.3Å; K61-Y89 WeakPolarHBondContact O-CB 3.41Å
62N97.7Very high96.3Very high32 Ų3234.7 Ų34.717%0.17117%0.168CC..G310 helixtrans-113.410179.8-47.7-54.9000111.8Y41 N59 L60 V103 Q104Y41-N62 WeakPolarHBondContact CD2-O 3.44Å; Y41-N62 PolarHBondContact N-O 2.85Å; Y41-N62 VanDerWaalsContact O-CB 3.24Å; Y41-N62 WeakPolarHBondContact O-CB 3.38Å; N59-N62 CarbonylContact O-C 3.58Å; N59-N62 PolarHBondContact O-N 3.2Å; N59-N62 VanDerWaalsContact O-N 3.1Å; N59-N62 WeakPolarHBondContact OD1-CB 3.48Å; N59-N62 PolarHBondContact OD1-ND2 3.47Å; L60-N62 PolarHBondContact O-N 3Å; N62-V103 HydrophobicContact CB-CB 4.41Å; N62-Q104 PolarHBondContact OD1-N 3Å
63S98Very high96.2Very high0 Ų034.9 Ų34.90%017%0.169CC..EExtended strand (participates in β ladder)trans-105.3107.4176.4-59.40000109.5S40 N59 L60 F65 Y89S40-S63 WeakPolarHBondContact CB-OG 3.46Å; S40-S63 PolarHBondContact OG-OG 2.99Å; N59-S63 WeakPolarHBondContact O-CB 3.28Å; N59-S63 PolarHBondContact O-N 3.4Å; N59-S63 PolarHBondContact O-OG 2.94Å; L60-S63 PolarHBondContact O-N 3.18Å; S63-F65 WeakPolarHBondContact O-CD1 3.34Å; S63-Y89 WeakPolarHBondContact O-CD1 3.49Å
64V98.5Very high96.1Very high0 Ų032.5 Ų32.50%016%0.161CC..EExtended strand (participates in β ladder)trans-92.8111.4-176-170.80000108.7C38 V39 Y41 F67 Y89 I101 V103 V117C38-V64 WeakPolarHBondContact CA-O 3.19Å; V39-V64 PolarHBondContact N-O 3.01Å; V39-V64 PolarHBondContact O-N 2.87Å; Y41-V64 HydrophobicContact CD2-CG2 4.19Å; Y41-V64 HydrophobicContact CE2-CG2 3.87Å; V64-F67 HydrophobicContact CG1-CB 3.91Å; V64-F67 HydrophobicContact CG1-CD1 3.93Å; V64-F67 HydrophobicContact CG1-CG 4.14Å; V64-Y89 HydrophobicContact CB-CE1 4.43Å; V64-Y89 HydrophobicContact CG1-CE1 4.09Å; V64-Y89 HydrophobicContact CG1-CE2 4.17Å; V64-I101 HydrophobicContact CG1-CD1 4.03Å; V64-I101 HydrophobicContact CG1-CG2 4.29Å; V64-I101 HydrophobicContact CG2-CG2 3.79Å; V64-V103 HydrophobicContact CG2-CG1 3.91Å; V64-V117 HydrophobicContact CB-CG1 4.08Å; V64-V117 HydrophobicContact CG1-CG1 3.82Å; V64-V117 HydrophobicContact CG1-CG2 4.35Å
65F97.7Very high96.2Very high17 Ų1727.2 Ų27.28%0.07514%0.136CC..EExtended strand (participates in β ladder)trans-137164.2176.761.8-89.2000108.9C38 W53 V56 L60 S63 F67 P88 Y89 L264C38-F65 HydrophobicContact CB-CB 4.28Å; W53-F65 HydrophobicContact CZ3-CB 4.46Å; W53-F65 HydrophobicContact CZ3-CD2 4.47Å; W53-F65 HydrophobicContact CZ3-CG 4.29Å; V56-F65 HydrophobicContact CG2-CD1 3.91Å; V56-F65 HydrophobicContact CG2-CE1 3.78Å; L60-F65 HydrophobicContact CD1-CE1 4.37Å; S63-F65 WeakPolarHBondContact O-CD1 3.34Å; F65-F67 PolarHBondContact O-N 3.21Å; F65-P88 HydrophobicContact CE1-CG 3.49Å; F65-P88 VanDerWaalsContact CE1-CG 3.49Å; F65-P88 HydrophobicContact CZ-CG 3.57Å; F65-Y89 WeakPolarHBondContact O-CE1 3.25Å; F65-Y89 PolarHBondContact O-OH 3.44Å; F65-L264 HydrophobicContact CZ-CD1 4.2Å; F65-L264 HydrophobicContact CZ-CD2 4.44Å
66S95.9Very high96.3Very high7 Ų727.8 Ų27.85%0.04914%0.143CC..SBendtrans55.732.6-172.5-59.70000114N10N10-S66 PolarHBondContact ND2-OG 3.44Å
67F97.4Very high96.2Very high0 Ų027.8 Ų27.80%014%0.143CC..  trans-91.1-2.9-179.164-91.9000113.4F8 T37 V64 F65 N69 L70 I71 V117 L118 Q121F8-F67 AromaticContact CE2-CE2 3.87Å; F8-F67 HydrophobicContact CE2-CE2 3.87Å; F8-F67 AromaticContact CE2-CZ 3.96Å; F8-F67 HydrophobicContact CE2-CZ 3.96Å; F8-F67 HydrophobicContact CZ-CD2 4.22Å; F8-F67 AromaticContact CZ-CE2 3.62Å; F8-F67 HydrophobicContact CZ-CE2 3.62Å; F8-F67 HydrophobicContact CZ-CZ 4.16Å; T37-F67 HydrophobicContact CG2-CD1 4.41Å; T37-F67 HydrophobicContact CG2-CE1 3.63Å; T37-F67 HydrophobicContact CG2-CZ 3.7Å; V64-F67 HydrophobicContact CG1-CB 3.91Å; V64-F67 HydrophobicContact CG1-CD1 3.93Å; V64-F67 HydrophobicContact CG1-CG 4.14Å; F65-F67 PolarHBondContact O-N 3.21Å; F67-N69 PolarHBondContact O-N 3.19Å; F67-L70 HydrophobicContact CB-CD1 4.13Å; F67-L70 WeakPolarHBondContact O-CB 3.34Å; F67-L70 PolarHBondContact O-N 2.96Å; F67-I71 HydrophobicContact CD2-CD1 4.12Å; F67-V117 HydrophobicContact CD1-CG1 3.89Å; F67-V117 HydrophobicContact CD2-CB 4.33Å; F67-V117 HydrophobicContact CD2-CG1 3.99Å; F67-V117 HydrophobicContact CE1-CG1 3.78Å; F67-V117 HydrophobicContact CE2-CB 4.35Å; F67-V117 HydrophobicContact CE2-CG1 3.89Å; F67-V117 HydrophobicContact CG-CG1 3.99Å; F67-V117 HydrophobicContact CZ-CG1 3.79Å; F67-L118 HydrophobicContact CE2-CB 4.23Å; F67-L118 HydrophobicContact CE2-CD1 4.5Å; F67-Q121 HydrophobicContact CZ-CB 4.13Å; F67-Q121 HydrophobicContact CZ-CG 4.44Å
68K97.4Very high96.1Very high12 Ų1229.7 Ų29.75%0.05216%0.158CC..G310 helixtrans-56.7-39178.4179.2173.2-175175.10111.7F8 N10 L70 I71 W148 E173F8-K68 HydrophobicContact CD1-CD 4.22Å; F8-K68 HydrophobicContact CD1-CG 4.17Å; F8-K68 HydrophobicContact CE1-CB 3.82Å; F8-K68 HydrophobicContact CE1-CD 4.11Å; F8-K68 HydrophobicContact CE1-CG 3.61Å; F8-K68 HydrophobicContact CZ-CB 3.85Å; F8-K68 HydrophobicContact CZ-CG 4.17Å; F8-K68 VanDerWaalsContact O-CD 3.28Å; F8-K68 WeakPolarHBondContact O-CD 3.34Å; F8-K68 WeakPolarHBondContact O-CE 3.43Å; F8-K68 PolarHBondContact O-NZ 3.16Å; N10-K68 HydrophobicContact CB-CB 4.17Å; N10-K68 HydrophobicContact CB-CD 4.18Å; N10-K68 WeakPolarHBondContact OD1-CB 3.46Å; K68-L70 PolarHBondContact O-N 3.33Å; K68-I71 WeakPolarHBondContact O-CG1 3.39Å; K68-I71 PolarHBondContact O-N 3.2Å; K68-W148 HydrophobicContact CG-CH2 4.49Å; K68-W148 HydrophobicContact CG-CZ2 3.85Å; K68-E173 IonicContact NZ-OE1 2.68Å; K68-E173 PolarHBondContact NZ-OE1 2.95Å; K68-E173 IonicContact NZ-OE2 3.52Å
69N95.2Very high96.1Very high5 Ų525.5 Ų25.53%0.02713%0.132CC..G310 helixtrans-71.6-6.4177.2-76.1-8.8000113.8F67 R73 E83F67-N69 PolarHBondContact O-N 3.19Å; N69-R73 WeakPolarHBondContact O-CD 3.49Å; N69-R73 PolarHBondContact O-NE 2.72Å; N69-E83 HydrophobicContact CB-CG 4.14Å; N69-E83 PolarHBondContact ND2-OE1 2.81Å
70L97.3Very high96.2Very high0 Ų023.9 Ų23.90%012%0.124CC..G310 helixtrans-95.3-16.8178.5-52.8-179.9000113.2F67 K68 G72 R73 V80 E83 L87 Y89 L91 I99 I101 P114F67-L70 HydrophobicContact CB-CD1 4.13Å; F67-L70 WeakPolarHBondContact O-CB 3.34Å; F67-L70 PolarHBondContact O-N 2.96Å; K68-L70 PolarHBondContact O-N 3.33Å; L70-G72 PolarHBondContact O-N 2.84Å; L70-R73 PolarHBondContact O-N 2.81Å; L70-V80 HydrophobicContact CD2-CG1 4.14Å; L70-V80 HydrophobicContact CD2-CG2 4.26Å; L70-E83 HydrophobicContact CD2-CB 4.47Å; L70-L87 HydrophobicContact CD1-CD1 4.43Å; L70-Y89 HydrophobicContact CD1-CE2 4.43Å; L70-L91 HydrophobicContact CD1-CD1 4.34Å; L70-L91 HydrophobicContact CD1-CD2 4.04Å; L70-L91 HydrophobicContact CD2-CD1 4.13Å; L70-I99 HydrophobicContact CB-CD1 4.14Å; L70-I99 HydrophobicContact CD2-CD1 4.42Å; L70-I99 WeakPolarHBondContact O-CD1 3.49Å; L70-I101 HydrophobicContact CD1-CD1 4.18Å; L70-P114 HydrophobicContact CB-CB 4.11Å; L70-P114 HydrophobicContact CB-CG 3.98Å
71I97.4Very high96.1Very high0 Ų026.1 Ų26.10%013%0.134CC..THydrogen-bonded Turntrans-61.9126.1-172.7-56.5-57.2000111.3F8 F67 K68 R73 P114 L118 W148 Q152 A155F8-I71 HydrophobicContact CE1-CG1 4.32Å; F67-I71 HydrophobicContact CD2-CD1 4.12Å; K68-I71 WeakPolarHBondContact O-CG1 3.39Å; K68-I71 PolarHBondContact O-N 3.2Å; I71-R73 PolarHBondContact O-N 3.02Å; I71-R73 VanDerWaalsContact O-N 3.15Å; I71-P114 HydrophobicContact CD1-CB 3.78Å; I71-P114 WeakPolarHBondContact CD1-O 3.3Å; I71-L118 HydrophobicContact CD1-CB 3.86Å; I71-L118 HydrophobicContact CD1-CD2 3.89Å; I71-L118 HydrophobicContact CD1-CG 4.47Å; I71-L118 HydrophobicContact CG1-CD2 4.15Å; I71-L118 HydrophobicContact CG2-CD2 4.12Å; I71-W148 HydrophobicContact CB-CH2 4.27Å; I71-W148 HydrophobicContact CG2-CH2 4.26Å; I71-W148 HydrophobicContact CG2-CZ3 4.47Å; I71-Q152 WeakPolarHBondContact O-CG 3.38Å; I71-Q152 PolarHBondContact O-NE2 3.43Å; I71-A155 HydrophobicContact CG2-CB 3.81Å
72G95.3Very high96Very high0 Ų021.5 Ų21.50%012%0.123CC..THydrogen-bonded Turntrans64.411.1177.600000115.6L70 E115 A155 Y453L70-G72 PolarHBondContact O-N 2.84Å; G72-E115 PolarHBondContact N-OE1 2.86Å; G72-A155 VanDerWaalsContact CA-CB 3.42Å; G72-Y453 PolarHBondContact O-OH 3.15Å
73R95.2Very high95.9Very high3 Ų320.3 Ų20.31%0.01112%0.116CC..  trans-92.5163.4-179.6-68.6-168.2178.2-106.7-9.5113.1N69 L70 I71 D77 V80 I99 P452 Y453N69-R73 WeakPolarHBondContact O-CD 3.49Å; N69-R73 PolarHBondContact O-NE 2.72Å; L70-R73 PolarHBondContact O-N 2.81Å; I71-R73 PolarHBondContact O-N 3.02Å; I71-R73 VanDerWaalsContact O-N 3.15Å; R73-D77 WeakPolarHBondContact CD-OD2 3.36Å; R73-D77 IonicContact CZ-OD2 2.75Å; R73-D77 IonicContact NE-OD2 3.14Å; R73-D77 VanDerWaalsContact NH1-CG 3.34Å; R73-D77 IonicContact NH1-OD1 3.41Å; R73-D77 PolarHBondContact NH1-OD1 3.01Å; R73-D77 IonicContact NH1-OD2 2.79Å; R73-D77 PolarHBondContact NH1-OD2 2.92Å; R73-V80 HydrophobicContact CB-CG2 3.7Å; R73-V80 HydrophobicContact CG-CG2 4.38Å; R73-I99 HydrophobicContact CB-CD1 4Å; R73-P452 PolarHBondContact NH1-O 3.04Å; R73-P452 PolarHBondContact NH2-O 2.74Å; R73-P452 VanDerWaalsContact NH2-O 3.1Å; R73-Y453 HydrophobicContact CB-CE2 4.08Å; R73-Y453 HydrophobicContact CG-CD2 4.12Å; R73-Y453 HydrophobicContact CG-CE2 4.02Å
74K95.2Very high95.7Very high31 Ų3124.1 Ų24.114%0.13513%0.133CC..BIsolated β-bridgetrans-90.1151.3169.7-61.9-54.4-174.7168.50110.6N76 D77 N96 N97 Y453 Y535K74-N76 PolarHBondContact O-N 3.42Å; K74-D77 WeakPolarHBondContact O-CB 3.43Å; K74-D77 PolarHBondContact O-N 3.3Å; K74-D77 VanDerWaalsContact O-N 3.14Å; K74-N96 PolarHBondContact NZ-O 3.09Å; K74-N97 CarbonylContact C-O 3.5Å; K74-N97 WeakPolarHBondContact CA-O 3.39Å; K74-N97 HydrophobicContact CB-CB 4.48Å; K74-N97 WeakPolarHBondContact CB-O 3.29Å; K74-N97 HydrophobicContact CD-CB 4.31Å; K74-N97 WeakPolarHBondContact CD-O 3.38Å; K74-Y453 WeakPolarHBondContact CG-OH 3.32Å; K74-Y535 HydrophobicContact CD-CE2 4.46Å
75F96.1Very high95.4Very high17 Ų1730.8 Ų30.88%0.07517%0.168CC..THydrogen-bonded Turntrans-59.7-46.2-179.5178.9-93000112.3D77 V80 Q81 L91 V92 Q93 N97 I99F75-D77 PolarHBondContact O-N 2.81Å; F75-D77 VanDerWaalsContact O-N 3.15Å; F75-V80 WeakPolarHBondContact O-CG1 3.44Å; F75-Q81 PolarHBondContact O-NE2 2.91Å; F75-L91 HydrophobicContact CE2-CB 4.06Å; F75-V92 VanDerWaalsContact CD2-C 3.44Å; F75-V92 WeakPolarHBondContact CD2-O 3.43Å; F75-Q93 HydrophobicContact CB-CB 4.21Å; F75-Q93 HydrophobicContact CB-CG 3.97Å; F75-Q93 HydrophobicContact CD1-CB 3.51Å; F75-Q93 HydrophobicContact CD1-CG 3.77Å; F75-Q93 HydrophobicContact CD2-CB 4.18Å; F75-Q93 HydrophobicContact CE1-CB 3.79Å; F75-Q93 HydrophobicContact CE1-CG 4.47Å; F75-Q93 HydrophobicContact CE2-CB 4.42Å; F75-Q93 HydrophobicContact CG-CB 3.7Å; F75-Q93 HydrophobicContact CG-CG 3.97Å; F75-Q93 HydrophobicContact CZ-CB 4.22Å; F75-N97 PolarHBondContact N-O 2.98Å; F75-I99 HydrophobicContact CB-CG1 4.21Å
76N95Very high95Very high86 Ų8633.8 Ų33.846%0.4618%0.179SC..THydrogen-bonded Turntrans-76.17.9179.2-66.7-25.6000114.9K74 N97K74-N76 PolarHBondContact O-N 3.42Å; N76-N97 PolarHBondContact N-OD1 3.01Å; N76-N97 PolarHBondContact ND2-OD1 3.2Å
77D94.2Very high95Very high2 Ų234.3 Ų34.31%0.01118%0.181CC..  trans-62.2130.3173.7-176.2-31.5000110.8R73 K74 F75 V79 V80 Q81 Y453 P454R73-D77 WeakPolarHBondContact CD-OD2 3.36Å; R73-D77 IonicContact CZ-OD2 2.75Å; R73-D77 IonicContact NE-OD2 3.14Å; R73-D77 VanDerWaalsContact NH1-CG 3.34Å; R73-D77 IonicContact NH1-OD1 3.41Å; R73-D77 PolarHBondContact NH1-OD1 3.01Å; R73-D77 IonicContact NH1-OD2 2.79Å; R73-D77 PolarHBondContact NH1-OD2 2.92Å; K74-D77 WeakPolarHBondContact O-CB 3.43Å; K74-D77 PolarHBondContact O-N 3.3Å; K74-D77 VanDerWaalsContact O-N 3.14Å; F75-D77 PolarHBondContact O-N 2.81Å; F75-D77 VanDerWaalsContact O-N 3.15Å; D77-V79 PolarHBondContact O-N 2.91Å; D77-V79 WeakPolarHBondContact OD1-CB 3.4Å; D77-V79 PolarHBondContact OD1-N 2.95Å; D77-V80 HydrophobicContact CB-CB 4.08Å; D77-V80 HydrophobicContact CB-CG2 3.83Å; D77-V80 WeakPolarHBondContact O-CA 3.43Å; D77-V80 WeakPolarHBondContact O-CB 3.13Å; D77-V80 PolarHBondContact O-N 3.18Å; D77-Q81 WeakPolarHBondContact O-CG 3.2Å; D77-Q81 PolarHBondContact O-N 2.79Å; D77-Y453 WeakPolarHBondContact OD2-CD2 2.97Å; D77-P454 HydrophobicContact CB-CG 4.15Å; D77-P454 VanDerWaalsContact CG-CD 3.5Å; D77-P454 WeakPolarHBondContact OD2-CD 3.48Å
78P93.2Very high94.9Very high93 Ų9335.3 Ų35.360%0.60419%0.188SC*.Hα-helixtrans-52.2-36.6177.3-28.435.9000114.3Q81 A82P78-Q81 PolarHBondContact O-N 2.99Å; P78-A82 WeakPolarHBondContact O-CB 3.28Å; P78-A82 PolarHBondContact O-N 3.39Å
79V93.2Very high94.9Very high31 Ų3135.1 Ų35.119%0.18819%0.187CC..Hα-helixtrans-64.3-44.1176175.90000110.1D77 A82 E83 M229D77-V79 PolarHBondContact O-N 2.91Å; D77-V79 WeakPolarHBondContact OD1-CB 3.4Å; D77-V79 PolarHBondContact OD1-N 2.95Å; V79-A82 PolarHBondContact O-N 3.01Å; V79-E83 HydrophobicContact CG1-CG 4.43Å; V79-E83 VanDerWaalsContact O-CG 3.23Å; V79-E83 WeakPolarHBondContact O-CG 3.42Å; V79-E83 PolarHBondContact O-N 3.35Å; V79-M229 HydrophobicContact CG1-CE 3.84Å; V79-M229 HydrophobicContact CG2-CE 4.2Å
80V96Very high95Very high0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-66.6-40.2179174.90000111L70 R73 F75 D77 A82 E83 K84 L91 I99L70-V80 HydrophobicContact CD2-CG1 4.14Å; L70-V80 HydrophobicContact CD2-CG2 4.26Å; R73-V80 HydrophobicContact CB-CG2 3.7Å; R73-V80 HydrophobicContact CG-CG2 4.38Å; F75-V80 WeakPolarHBondContact O-CG1 3.44Å; D77-V80 HydrophobicContact CB-CB 4.08Å; D77-V80 HydrophobicContact CB-CG2 3.83Å; D77-V80 WeakPolarHBondContact O-CA 3.43Å; D77-V80 WeakPolarHBondContact O-CB 3.13Å; D77-V80 PolarHBondContact O-N 3.18Å; V80-A82 VanDerWaalsContact C-N 3.33Å; V80-E83 PolarHBondContact O-N 2.88Å; V80-K84 WeakPolarHBondContact O-CB 3.29Å; V80-K84 PolarHBondContact O-N 2.82Å; V80-L91 HydrophobicContact CG1-CD1 4.19Å; V80-I99 HydrophobicContact CB-CD1 4.44Å; V80-I99 HydrophobicContact CG1-CD1 3.86Å; V80-I99 HydrophobicContact CG1-CG1 4.2Å; V80-I99 HydrophobicContact CG2-CD1 3.7Å
81Q96.4Very high95Very high65 Ų6540.1 Ų40.130%0.30421%0.21SC..Hα-helixtrans-65.1-36.8175.3-65.2-58-51.700112.1F75 D77 P78 N85F75-Q81 PolarHBondContact O-NE2 2.91Å; D77-Q81 WeakPolarHBondContact O-CG 3.2Å; D77-Q81 PolarHBondContact O-N 2.79Å; P78-Q81 PolarHBondContact O-N 2.99Å; Q81-N85 PolarHBondContact O-ND2 2.83Å
82A94.1Very high95.1Very high50 Ų5041.3 Ų41.341%0.41322%0.218SC..Hα-helixtrans-66.7-46.1174.400000111.9P78 V79 V80 K84 N85P78-A82 WeakPolarHBondContact O-CB 3.28Å; P78-A82 PolarHBondContact O-N 3.39Å; V79-A82 PolarHBondContact O-N 3.01Å; V80-A82 VanDerWaalsContact C-N 3.33Å; A82-K84 VanDerWaalsContact C-N 3.35Å; A82-K84 PolarHBondContact O-N 3.47Å; A82-N85 PolarHBondContact O-N 3.25Å
83E94.9Very high95.2Very high7 Ų746.2 Ų46.23%0.03324%0.24CC..Hα-helixtrans-59.5-44.6176.1-67.4-79.614500111.1N69 L70 V79 V80 N85 W86 L87 R234N69-E83 HydrophobicContact CB-CG 4.14Å; N69-E83 PolarHBondContact ND2-OE1 2.81Å; L70-E83 HydrophobicContact CD2-CB 4.47Å; V79-E83 HydrophobicContact CG1-CG 4.43Å; V79-E83 VanDerWaalsContact O-CG 3.23Å; V79-E83 WeakPolarHBondContact O-CG 3.42Å; V79-E83 PolarHBondContact O-N 3.35Å; V80-E83 PolarHBondContact O-N 2.88Å; E83-N85 PolarHBondContact O-N 2.87Å; E83-W86 PolarHBondContact O-N 2.86Å; E83-W86 PolarHBondContact O-NE1 2.86Å; E83-W86 WeakPolarHBondContact OE2-CZ2 3.28Å; E83-L87 HydrophobicContact CB-CD1 4.3Å; E83-L87 WeakPolarHBondContact O-CG 3.46Å; E83-L87 PolarHBondContact O-N 2.78Å; E83-R234 IonicContact OE1-CZ 3.49Å; E83-R234 VanDerWaalsContact OE1-CZ 3.3Å; E83-R234 IonicContact OE1-NH1 2.79Å; E83-R234 PolarHBondContact OE1-NH1 2.88Å; E83-R234 IonicContact OE1-NH2 3.57Å; E83-R234 PolarHBondContact OE1-NH2 2.62Å; E83-R234 IonicContact OE2-NH1 3.4Å; E83-R234 PolarHBondContact OE2-NH1 2.98Å
84K95Very high95.3Very high80 Ų8048.1 Ų48.135%0.34825%0.25SS..Hα-helixtrans-51-30.8-179.6-172.8-178.3176.9-171.90114.2V80 A82 W86 L91V80-K84 WeakPolarHBondContact O-CB 3.29Å; V80-K84 PolarHBondContact O-N 2.82Å; A82-K84 VanDerWaalsContact C-N 3.35Å; A82-K84 PolarHBondContact O-N 3.47Å; K84-W86 PolarHBondContact O-N 2.83Å; K84-L91 HydrophobicContact CB-CD1 4.16Å; K84-L91 HydrophobicContact CG-CB 4.42Å; K84-L91 HydrophobicContact CG-CD1 4.32Å
85N91.1Very high95.2Very high141 Ų14151 Ų5175%0.75427%0.273SS*.THydrogen-bonded Turntrans-66.4-17.5-173.2-69.7-36.6000115Q81 A82 E83Q81-N85 PolarHBondContact O-ND2 2.83Å; A82-N85 PolarHBondContact O-N 3.25Å; E83-N85 PolarHBondContact O-N 2.87Å
86W89.1Confident94.9Very high80 Ų8056.7 Ų56.730%0.30330%0.304SS..THydrogen-bonded Turntrans-132.8-1.4-176.757.8-90.4000113.5E83 K84E83-W86 PolarHBondContact O-N 2.86Å; E83-W86 PolarHBondContact O-NE1 2.86Å; E83-W86 WeakPolarHBondContact OE2-CZ2 3.28Å; K84-W86 PolarHBondContact O-N 2.83Å
87L95.5Very high94.9Very high17 Ų1754.7 Ų54.79%0.08929%0.293CS..  trans-69133.8172-66.8172.3000110L70 E83 Y89 L91L70-L87 HydrophobicContact CD1-CD1 4.43Å; E83-L87 HydrophobicContact CB-CD1 4.3Å; E83-L87 WeakPolarHBondContact O-CG 3.46Å; E83-L87 PolarHBondContact O-N 2.78Å; L87-Y89 VanDerWaalsContact C-N 3.28Å; L87-Y89 HydrophobicContact CB-CD2 4.48Å; L87-Y89 HydrophobicContact CB-CE1 4.28Å; L87-Y89 HydrophobicContact CB-CE2 4.22Å; L87-Y89 HydrophobicContact CD1-CE2 3.82Å; L87-Y89 HydrophobicContact CD2-CE1 3.89Å; L87-Y89 HydrophobicContact CD2-CE2 4.46Å; L87-Y89 WeakPolarHBondContact CD2-OH 3.45Å; L87-Y89 HydrophobicContact CG-CE1 4.49Å; L87-Y89 HydrophobicContact CG-CE2 4.37Å; L87-Y89 PolarHBondContact O-N 2.82Å; L87-L91 HydrophobicContact CD1-CD1 3.95Å; L87-L91 HydrophobicContact CD1-CG 4.4Å
88P95.5Very high95Very high21 Ų2156.7 Ų56.714%0.13630%0.3CS..SBendtrans-78.7-12.2-179.328.8-33000114.2L60 F65 P260L60-P88 HydrophobicContact CD1-CB 3.51Å; L60-P88 HydrophobicContact CD1-CG 3.52Å; L60-P88 HydrophobicContact CD2-CB 4.13Å; L60-P88 HydrophobicContact CG-CB 3.56Å; L60-P88 HydrophobicContact CG-CG 4.12Å; F65-P88 HydrophobicContact CE1-CG 3.49Å; F65-P88 VanDerWaalsContact CE1-CG 3.49Å; F65-P88 HydrophobicContact CZ-CG 3.57Å; P88-P260 HydrophobicContact CB-CB 4.46Å
89Y97.2Very high95.2Very high9 Ų952.4 Ų52.44%0.03527%0.272CS..SBendtrans-104.4154.8179.953.6-99.3000110.8K61 S63 V64 F65 L70 L87 L91 I101K61-Y89 VanDerWaalsContact O-CB 3.3Å; K61-Y89 WeakPolarHBondContact O-CB 3.41Å; S63-Y89 WeakPolarHBondContact O-CD1 3.49Å; V64-Y89 HydrophobicContact CB-CE1 4.43Å; V64-Y89 HydrophobicContact CG1-CE1 4.09Å; V64-Y89 HydrophobicContact CG1-CE2 4.17Å; F65-Y89 WeakPolarHBondContact O-CE1 3.25Å; F65-Y89 PolarHBondContact O-OH 3.44Å; L70-Y89 HydrophobicContact CD1-CE2 4.43Å; L87-Y89 VanDerWaalsContact C-N 3.28Å; L87-Y89 HydrophobicContact CB-CD2 4.48Å; L87-Y89 HydrophobicContact CB-CE1 4.28Å; L87-Y89 HydrophobicContact CB-CE2 4.22Å; L87-Y89 HydrophobicContact CD1-CE2 3.82Å; L87-Y89 HydrophobicContact CD2-CE1 3.89Å; L87-Y89 HydrophobicContact CD2-CE2 4.46Å; L87-Y89 WeakPolarHBondContact CD2-OH 3.45Å; L87-Y89 HydrophobicContact CG-CE1 4.49Å; L87-Y89 HydrophobicContact CG-CE2 4.37Å; L87-Y89 PolarHBondContact O-N 2.82Å; Y89-L91 HydrophobicContact CD2-CD2 4.11Å; Y89-L91 HydrophobicContact CE2-CD2 3.83Å; Y89-I101 HydrophobicContact CD2-CG2 3.75Å; Y89-I101 HydrophobicContact CE2-CG2 4.1Å; Y89-I101 HydrophobicContact CG-CG2 4.49Å
90E97.7Very high95.4Very high103 Ų10350.9 Ų50.948%0.48126%0.263SS..EExtended strand (participates in β ladder)trans-85.1125.9-172.7-175.6-170.9155.300111.7V92 K102E90-V92 HydrophobicContact CG-CG1 4.17Å; E90-V92 VanDerWaalsContact OE1-CG1 3.25Å; E90-V92 WeakPolarHBondContact OE1-CG1 3.2Å; E90-K102 HydrophobicContact CB-CB 4.24Å; E90-K102 HydrophobicContact CG-CD 4.36Å; E90-K102 PolarHBondContact O-N 3.37Å; E90-K102 WeakPolarHBondContact OE1-CD 3.29Å; E90-K102 IonicContact OE1-NZ 2.78Å; E90-K102 PolarHBondContact OE1-NZ 3.26Å; E90-K102 IonicContact OE2-NZ 3.85Å
91L98.4Very high95.5Very high7 Ų750.9 Ų50.94%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-95.4134.1166.6-59.8-173.1000110.7L70 F75 V80 K84 L87 Y89 I99 G100 I101L70-L91 HydrophobicContact CD1-CD1 4.34Å; L70-L91 HydrophobicContact CD1-CD2 4.04Å; L70-L91 HydrophobicContact CD2-CD1 4.13Å; F75-L91 HydrophobicContact CE2-CB 4.06Å; V80-L91 HydrophobicContact CG1-CD1 4.19Å; K84-L91 HydrophobicContact CB-CD1 4.16Å; K84-L91 HydrophobicContact CG-CB 4.42Å; K84-L91 HydrophobicContact CG-CD1 4.32Å; L87-L91 HydrophobicContact CD1-CD1 3.95Å; L87-L91 HydrophobicContact CD1-CG 4.4Å; Y89-L91 HydrophobicContact CD2-CD2 4.11Å; Y89-L91 HydrophobicContact CE2-CD2 3.83Å; L91-I99 HydrophobicContact CD2-CG2 4.04Å; L91-G100 CarbonylContact C-O 3.57Å; L91-G100 WeakPolarHBondContact CA-O 3.35Å; L91-I101 HydrophobicContact CD2-CB 4.46Å; L91-I101 HydrophobicContact CD2-CG1 3.74Å
92V98Very high95.6Very high25 Ų2551 Ų5115%0.15226%0.262CS..EExtended strand (participates in β ladder)trans-124153.8174.2-64.10000112.3F75 E90 G100 K102 T111F75-V92 VanDerWaalsContact CD2-C 3.44Å; F75-V92 WeakPolarHBondContact CD2-O 3.43Å; E90-V92 HydrophobicContact CG-CG1 4.17Å; E90-V92 VanDerWaalsContact OE1-CG1 3.25Å; E90-V92 WeakPolarHBondContact OE1-CG1 3.2Å; V92-G100 PolarHBondContact N-O 2.84Å; V92-G100 PolarHBondContact O-N 3.35Å; V92-K102 HydrophobicContact CG1-CD 3.78Å; V92-K102 VanDerWaalsContact CG1-CE 3.43Å; V92-K102 HydrophobicContact CG1-CG 4.21Å; V92-K102 HydrophobicContact CG2-CG 4.19Å; V92-T111 HydrophobicContact CG2-CG2 3.69Å
93Q98Very high95.8Very high103 Ų10348.7 Ų48.748%0.48124%0.243SC..EExtended strand (participates in β ladder)trans-83.7121.8173.4-169175.9-3.500109.8F75 N97F75-Q93 HydrophobicContact CB-CB 4.21Å; F75-Q93 HydrophobicContact CB-CG 3.97Å; F75-Q93 HydrophobicContact CD1-CB 3.51Å; F75-Q93 HydrophobicContact CD1-CG 3.77Å; F75-Q93 HydrophobicContact CD2-CB 4.18Å; F75-Q93 HydrophobicContact CE1-CB 3.79Å; F75-Q93 HydrophobicContact CE1-CG 4.47Å; F75-Q93 HydrophobicContact CE2-CB 4.42Å; F75-Q93 HydrophobicContact CG-CB 3.7Å; F75-Q93 HydrophobicContact CG-CG 3.97Å; F75-Q93 HydrophobicContact CZ-CB 4.22Å; Q93-N97 PolarHBondContact NE2-OD1 3.44Å
94L97.1Very high95.8Very high42 Ų4252.1 Ų52.122%0.2226%0.259CS..PPolyproline II helixtrans-94.6170.1172-69.5-179.7000110.9N97 R98 T111 L113L94-N97 PolarHBondContact O-N 3.04Å; L94-R98 HydrophobicContact CB-CB 4.01Å; L94-R98 PolarHBondContact N-O 2.91Å; L94-R98 PolarHBondContact O-N 2.99Å; L94-T111 HydrophobicContact CD1-CG2 4.29Å; L94-T111 HydrophobicContact CD2-CG2 3.91Å; L94-T111 HydrophobicContact CG-CG2 4.39Å; L94-L113 HydrophobicContact CD1-CD2 3.53Å
95P94.1Very high95.7Very high93 Ų9348.3 Ų48.360%0.60424%0.243SC*.G310 helixtrans-49.8150.8171.3-28.436.3000112.7N97 R98P95-N97 PolarHBondContact O-N 3.45Å; P95-R98 PolarHBondContact O-N 3.49Å
96N89.6Confident95.5Very high136 Ų13643.2 Ų43.273%0.72722%0.22SC*.G310 helixtrans57.726.2-174.6-56.4-29000114K74 R98K74-N96 PolarHBondContact NZ-O 3.09Å; N96-R98 PolarHBondContact O-N 3.31Å
97N94.6Very high95.3Very high44 Ų4442.6 Ų42.624%0.23524%0.239CC..G310 helixtrans60.228.2178.5-164.323.5000112.7K74 F75 N76 Q93 L94 P95K74-N97 CarbonylContact C-O 3.5Å; K74-N97 WeakPolarHBondContact CA-O 3.39Å; K74-N97 HydrophobicContact CB-CB 4.48Å; K74-N97 WeakPolarHBondContact CB-O 3.29Å; K74-N97 HydrophobicContact CD-CB 4.31Å; K74-N97 WeakPolarHBondContact CD-O 3.38Å; F75-N97 PolarHBondContact N-O 2.98Å; N76-N97 PolarHBondContact N-OD1 3.01Å; N76-N97 PolarHBondContact ND2-OD1 3.2Å; Q93-N97 PolarHBondContact NE2-OD1 3.44Å; L94-N97 PolarHBondContact O-N 3.04Å; P95-N97 PolarHBondContact O-N 3.45Å
98R95.3Very high95.1Very high44 Ų4444.4 Ų44.417%0.16625%0.253CS..BIsolated β-bridgetrans-73.2157.9173.4-70.3-168.4-65.2-171.10.2110.9L94 P95 N96 E541L94-R98 HydrophobicContact CB-CB 4.01Å; L94-R98 PolarHBondContact N-O 2.91Å; L94-R98 PolarHBondContact O-N 2.99Å; P95-R98 PolarHBondContact O-N 3.49Å; N96-R98 PolarHBondContact O-N 3.31Å; R98-E541 IonicContact CZ-OE1 3.97Å; R98-E541 VanDerWaalsContact CZ-OE1 3.28Å; R98-E541 IonicContact CZ-OE2 2.64Å; R98-E541 VanDerWaalsContact NH1-CD 3.31Å; R98-E541 IonicContact NH1-OE1 2.71Å; R98-E541 PolarHBondContact NH1-OE1 3.48Å; R98-E541 IonicContact NH1-OE2 3.7Å; R98-E541 PolarHBondContact NH1-OE2 2.92Å; R98-E541 IonicContact NH2-OE1 2.65Å; R98-E541 PolarHBondContact NH2-OE1 3.28Å; R98-E541 IonicContact NH2-OE2 3.08Å
99I97.6Very high95.1Very high2 Ų249.2 Ų49.21%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-85.5133174.1-59.3164.9000108.6L70 R73 F75 V80 L91 I101 L113 P114L70-I99 HydrophobicContact CB-CD1 4.14Å; L70-I99 HydrophobicContact CD2-CD1 4.42Å; L70-I99 WeakPolarHBondContact O-CD1 3.49Å; R73-I99 HydrophobicContact CB-CD1 4Å; F75-I99 HydrophobicContact CB-CG1 4.21Å; V80-I99 HydrophobicContact CB-CD1 4.44Å; V80-I99 HydrophobicContact CG1-CD1 3.86Å; V80-I99 HydrophobicContact CG1-CG1 4.2Å; V80-I99 HydrophobicContact CG2-CD1 3.7Å; L91-I99 HydrophobicContact CD2-CG2 4.04Å; I99-I101 HydrophobicContact CG2-CG1 4.43Å; I99-L113 WeakPolarHBondContact O-CD2 3.22Å; I99-P114 HydrophobicContact CB-CG 3.94Å; I99-P114 HydrophobicContact CD1-CG 4.45Å; I99-P114 HydrophobicContact CG2-CG 3.98Å; I99-P114 WeakPolarHBondContact O-CD 3.28Å
100G98.3Very high95Very high0 Ų051.6 Ų51.60%029%0.285CS..EExtended strand (participates in β ladder)trans-114.7135.9164.100000110.5L91 V92 L112L91-G100 CarbonylContact C-O 3.57Å; L91-G100 WeakPolarHBondContact CA-O 3.35Å; V92-G100 PolarHBondContact N-O 2.84Å; V92-G100 PolarHBondContact O-N 3.35Å; G100-L112 CarbonylContact C-O 3.57Å; G100-L112 WeakPolarHBondContact CA-O 3.3Å
101I98.7Very high95Very high0 Ų049.5 Ų49.50%028%0.279CS..EExtended strand (participates in β ladder)trans-105.5112.9175.8-56172.9000107.3V64 L70 Y89 L91 I99 V103 T111 L112 P114 V117V64-I101 HydrophobicContact CG1-CD1 4.03Å; V64-I101 HydrophobicContact CG1-CG2 4.29Å; V64-I101 HydrophobicContact CG2-CG2 3.79Å; L70-I101 HydrophobicContact CD1-CD1 4.18Å; Y89-I101 HydrophobicContact CD2-CG2 3.75Å; Y89-I101 HydrophobicContact CE2-CG2 4.1Å; Y89-I101 HydrophobicContact CG-CG2 4.49Å; L91-I101 HydrophobicContact CD2-CB 4.46Å; L91-I101 HydrophobicContact CD2-CG1 3.74Å; I99-I101 HydrophobicContact CG2-CG1 4.43Å; I101-V103 HydrophobicContact CG2-CG1 4.27Å; I101-T111 WeakPolarHBondContact O-CA 3.33Å; I101-L112 PolarHBondContact N-O 3.35Å; I101-L112 PolarHBondContact O-N 3.13Å; I101-P114 HydrophobicContact CD1-CB 4.5Å; I101-P114 HydrophobicContact CD1-CG 4.26Å; I101-V117 HydrophobicContact CD1-CG2 3.93Å
102K98.1Very high95Very high66 Ų6649.5 Ų49.529%0.28728%0.28SS..EExtended strand (participates in β ladder)trans-84.4127.9179.1-81.9-178.5-179.1166.10111E90 V92 I109 R110 T111E90-K102 HydrophobicContact CB-CB 4.24Å; E90-K102 HydrophobicContact CG-CD 4.36Å; E90-K102 PolarHBondContact O-N 3.37Å; E90-K102 WeakPolarHBondContact OE1-CD 3.29Å; E90-K102 IonicContact OE1-NZ 2.78Å; E90-K102 PolarHBondContact OE1-NZ 3.26Å; E90-K102 IonicContact OE2-NZ 3.85Å; V92-K102 HydrophobicContact CG1-CD 3.78Å; V92-K102 VanDerWaalsContact CG1-CE 3.43Å; V92-K102 HydrophobicContact CG1-CG 4.21Å; V92-K102 HydrophobicContact CG2-CG 4.19Å; K102-I109 HydrophobicContact CD-CG2 4.44Å; K102-I109 HydrophobicContact CG-CG2 4.33Å; K102-R110 WeakPolarHBondContact CA-O 3.35Å; K102-T111 HydrophobicContact CG-CG2 4.45Å
103V97.8Very high95Very high2 Ų248.6 Ų48.61%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-138.4145.6175.7-61.70000110.1Y41 N62 V64 I101 H105 R110 L112Y41-V103 HydrophobicContact CD1-CG2 4.22Å; Y41-V103 HydrophobicContact CD2-CB 4.1Å; Y41-V103 HydrophobicContact CD2-CG1 3.82Å; Y41-V103 HydrophobicContact CD2-CG2 3.93Å; Y41-V103 HydrophobicContact CE2-CG1 4.34Å; Y41-V103 HydrophobicContact CE2-CG2 4.45Å; Y41-V103 HydrophobicContact CG-CB 4.22Å; Y41-V103 HydrophobicContact CG-CG1 4.44Å; Y41-V103 HydrophobicContact CG-CG2 3.81Å; N62-V103 HydrophobicContact CB-CB 4.41Å; V64-V103 HydrophobicContact CG2-CG1 3.91Å; I101-V103 HydrophobicContact CG2-CG1 4.27Å; V103-H105 HydrophobicContact CG2-CB 4.44Å; V103-R110 HydrophobicContact CG2-CB 4.24Å; V103-R110 PolarHBondContact N-O 2.9Å; V103-R110 PolarHBondContact O-N 2.85Å; V103-L112 HydrophobicContact CG2-CD1 3.67Å; V103-L112 HydrophobicContact CG2-CG 4.19Å
104Q96Very high95Very high79 Ų7943.9 Ų43.937%0.36925%0.252SS..EExtended strand (participates in β ladder)trans-82.1119.9167.4-175.267.721.400108.7N62 G107N62-Q104 PolarHBondContact OD1-N 3Å; Q104-G107 VanDerWaalsContact NE2-C 3.3Å; Q104-G107 PolarHBondContact NE2-O 2.94Å
105H92.9Very high95.1Very high1 Ų142.1 Ų42.11%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-154.9137.7-178.4-169.950.7000112.2Y41 G42 V103 G107 S108 R110 E552Y41-H105 HydrophobicContact CD1-CB 4.37Å; Y41-H105 AromaticContact CD1-CG 3.96Å; G42-H105 PolarHBondContact O-ND1 2.89Å; V103-H105 HydrophobicContact CG2-CB 4.44Å; H105-G107 VanDerWaalsContact C-N 3.33Å; H105-G107 PolarHBondContact O-N 3.37Å; H105-S108 PolarHBondContact N-O 3.23Å; H105-S108 PolarHBondContact O-N 2.91Å; H105-S108 PolarHBondContact O-OG 3.3Å; H105-R110 HydrophobicContact CB-CG 4.37Å; H105-R110 PolarHBondContact CD2-NH1 3.38Å; H105-E552 IonicContact CD2-OE1 3.11Å; H105-E552 IonicContact CE1-OE2 3.36Å; H105-E552 VanDerWaalsContact NE2-CD 3.34Å; H105-E552 IonicContact NE2-OE1 3.42Å; H105-E552 PolarHBondContact NE2-OE1 3.31Å; H105-E552 IonicContact NE2-OE2 2.63Å; H105-E552 PolarHBondContact NE2-OE2 2.84Å
106A85.1Confident95.3Very high33 Ų3338.4 Ų38.427%0.27322%0.217SC..THydrogen-bonded Turntrans5249-177.900000112.5S43 S108S43-A106 WeakPolarHBondContact O-CA 3.32Å; S43-A106 PolarHBondContact O-N 3.06Å; A106-S108 PolarHBondContact O-N 3.48Å; A106-S108 VanDerWaalsContact O-N 3.11Å
107G85.5Confident95.7Very high68 Ų6832 Ų3270%0.70118%0.183SC*.THydrogen-bonded Turntrans70.21.5178.900000116.4S43 Q104 H105S43-G107 PolarHBondContact O-N 2.95Å; Q104-G107 VanDerWaalsContact NE2-C 3.3Å; Q104-G107 PolarHBondContact NE2-O 2.94Å; H105-G107 VanDerWaalsContact C-N 3.33Å; H105-G107 PolarHBondContact O-N 3.37Å
108S91.7Very high95.9Very high55 Ų5529.9 Ų29.939%0.38517%0.171SC..EExtended strand (participates in β ladder)trans-134.7159.5-177.260.40000112.6H105 A106 R110H105-S108 PolarHBondContact N-O 3.23Å; H105-S108 PolarHBondContact O-N 2.91Å; H105-S108 PolarHBondContact O-OG 3.3Å; A106-S108 PolarHBondContact O-N 3.48Å; A106-S108 VanDerWaalsContact O-N 3.11Å; S108-R110 PolarHBondContact O-N 3Å
109I96.1Very high96.1Very high121 Ų12127.8 Ų27.862%0.62116%0.164SC*.EExtended strand (participates in β ladder)trans-78.2117.9169.1-60.9173.1000107.6K102K102-I109 HydrophobicContact CD-CG2 4.44Å; K102-I109 HydrophobicContact CG-CG2 4.33Å
110R95.3Very high96.1Very high60 Ų6027.7 Ų27.723%0.22616%0.163CC..EExtended strand (participates in β ladder)trans-100.5144.1171-63-166.2180-179.93.8109.8K102 V103 H105 S108 L112 E552K102-R110 WeakPolarHBondContact CA-O 3.35Å; V103-R110 HydrophobicContact CG2-CB 4.24Å; V103-R110 PolarHBondContact N-O 2.9Å; V103-R110 PolarHBondContact O-N 2.85Å; H105-R110 HydrophobicContact CB-CG 4.37Å; H105-R110 PolarHBondContact CD2-NH1 3.38Å; S108-R110 PolarHBondContact O-N 3Å; R110-L112 HydrophobicContact CB-CD2 4.29Å; R110-L112 HydrophobicContact CB-CG 4.49Å; R110-E552 IonicContact CZ-OE1 3.24Å; R110-E552 IonicContact NH1-OE1 3.9Å; R110-E552 PolarHBondContact NH1-OE1 3.02Å; R110-E552 IonicContact NH2-OE1 3.18Å; R110-E552 PolarHBondContact NH2-OE1 3.34Å
111T97.5Very high96.1Very high58 Ų5827.7 Ų27.736%0.35616%0.163SC..EExtended strand (participates in β ladder)trans-113.9110.7170.2-550000108.1V92 L94 I101 K102V92-T111 HydrophobicContact CG2-CG2 3.69Å; L94-T111 HydrophobicContact CD1-CG2 4.29Å; L94-T111 HydrophobicContact CD2-CG2 3.91Å; L94-T111 HydrophobicContact CG-CG2 4.39Å; I101-T111 WeakPolarHBondContact O-CA 3.33Å; K102-T111 HydrophobicContact CG-CG2 4.45Å
112L97.9Very high96.1Very high8 Ų827.7 Ų27.74%0.04216%0.163CC..EExtended strand (participates in β ladder)trans-103.5144.1-172.7-57175.3000110.9Y41 G100 I101 V103 R110 V117Y41-L112 HydrophobicContact CD1-CD1 4.14Å; Y41-L112 HydrophobicContact CD2-CD1 4.38Å; Y41-L112 HydrophobicContact CE1-CD1 3.4Å; Y41-L112 VanDerWaalsContact CE1-CD1 3.4Å; Y41-L112 HydrophobicContact CE2-CD1 3.7Å; Y41-L112 VanDerWaalsContact OH-CD1 3.27Å; Y41-L112 WeakPolarHBondContact OH-CD1 3.42Å; G100-L112 CarbonylContact C-O 3.57Å; G100-L112 WeakPolarHBondContact CA-O 3.3Å; I101-L112 PolarHBondContact N-O 3.35Å; I101-L112 PolarHBondContact O-N 3.13Å; V103-L112 HydrophobicContact CG2-CD1 3.67Å; V103-L112 HydrophobicContact CG2-CG 4.19Å; R110-L112 HydrophobicContact CB-CD2 4.29Å; R110-L112 HydrophobicContact CB-CG 4.49Å; L112-V117 HydrophobicContact CB-CG2 4.39Å
113L98.2Very high96.1Very high6 Ų625.5 Ų25.53%0.03115%0.154CC..  trans-75148.5166.7-61.5-177.9000110.5L94 I99 E115 Q116 V117 L537 F545L94-L113 HydrophobicContact CD1-CD2 3.53Å; I99-L113 WeakPolarHBondContact O-CD2 3.22Å; L113-E115 WeakPolarHBondContact CB-OE2 3.3Å; L113-E115 PolarHBondContact O-N 3.42Å; L113-E115 VanDerWaalsContact O-N 3.16Å; L113-Q116 HydrophobicContact CB-CG 4.27Å; L113-Q116 WeakPolarHBondContact O-CB 3.45Å; L113-Q116 PolarHBondContact O-N 3.29Å; L113-V117 PolarHBondContact O-N 3.04Å; L113-L537 HydrophobicContact CD1-CD2 3.75Å; L113-F545 HydrophobicContact CD1-CE2 3.54Å; L113-F545 HydrophobicContact CD1-CZ 3.78Å; L113-F545 HydrophobicContact CG-CE2 4.45Å; L113-F545 HydrophobicContact CG-CZ 4.34Å
114P98.4Very high96.1Very high3 Ų326 Ų262%0.01916%0.156CC..Hα-helixtrans-51.8-34.2171.7-26.234.5000113.4L70 I71 I99 I101 Q116 V117 L118L70-P114 HydrophobicContact CB-CB 4.11Å; L70-P114 HydrophobicContact CB-CG 3.98Å; I71-P114 HydrophobicContact CD1-CB 3.78Å; I71-P114 WeakPolarHBondContact CD1-O 3.3Å; I99-P114 HydrophobicContact CB-CG 3.94Å; I99-P114 HydrophobicContact CD1-CG 4.45Å; I99-P114 HydrophobicContact CG2-CG 3.98Å; I99-P114 WeakPolarHBondContact O-CD 3.28Å; I101-P114 HydrophobicContact CD1-CB 4.5Å; I101-P114 HydrophobicContact CD1-CG 4.26Å; P114-Q116 VanDerWaalsContact C-N 3.34Å; P114-Q116 PolarHBondContact O-N 2.89Å; P114-V117 PolarHBondContact O-N 2.8Å; P114-L118 PolarHBondContact O-N 2.88Å
115E98.4Very high96.2Very high5 Ų522.2 Ų22.22%0.02314%0.138CC..Hα-helixtrans-63.3-35.7176.7-64.476.2-167.700112.3G72 L113 L118 A119 A155 A159G72-E115 PolarHBondContact N-OE1 2.86Å; L113-E115 WeakPolarHBondContact CB-OE2 3.3Å; L113-E115 PolarHBondContact O-N 3.42Å; L113-E115 VanDerWaalsContact O-N 3.16Å; E115-L118 PolarHBondContact O-N 3.19Å; E115-A119 WeakPolarHBondContact O-CB 3.34Å; E115-A119 PolarHBondContact O-N 3.07Å; E115-A155 HydrophobicContact CG-CB 3.82Å; E115-A155 WeakPolarHBondContact CG-O 3.3Å; E115-A155 VanDerWaalsContact OE1-CB 3.3Å; E115-A155 WeakPolarHBondContact OE1-CB 3.29Å; E115-A159 WeakPolarHBondContact O-CB 3.29Å
116Q98.3Very high96.4Very high16 Ų1623.3 Ų23.38%0.07514%0.143CC..Hα-helixtrans-70.4-36.3175.2-64177.7-87.500111.7L113 P114 A119 A120 I162 F545L113-Q116 HydrophobicContact CB-CG 4.27Å; L113-Q116 WeakPolarHBondContact O-CB 3.45Å; L113-Q116 PolarHBondContact O-N 3.29Å; P114-Q116 VanDerWaalsContact C-N 3.34Å; P114-Q116 PolarHBondContact O-N 2.89Å; Q116-A119 PolarHBondContact O-N 2.81Å; Q116-A120 PolarHBondContact O-N 2.93Å; Q116-A120 VanDerWaalsContact O-N 3.16Å; Q116-I162 HydrophobicContact CG-CD1 4.41Å; Q116-F545 HydrophobicContact CG-CB 4.3Å; Q116-F545 HydrophobicContact CG-CD1 4.16Å; Q116-F545 HydrophobicContact CG-CD2 4.12Å; Q116-F545 HydrophobicContact CG-CG 3.93Å
117V98.7Very high96.9Very high0 Ų025.6 Ų25.60%015%0.148CC..Hα-helixtrans-68.2-40.5174.8-174.60000110.3V39 V64 F67 I101 L112 L113 P114 A120 Q121V39-V117 HydrophobicContact CB-CG1 3.97Å; V39-V117 HydrophobicContact CG2-CG1 3.72Å; V64-V117 HydrophobicContact CB-CG1 4.08Å; V64-V117 HydrophobicContact CG1-CG1 3.82Å; V64-V117 HydrophobicContact CG1-CG2 4.35Å; F67-V117 HydrophobicContact CD1-CG1 3.89Å; F67-V117 HydrophobicContact CD2-CB 4.33Å; F67-V117 HydrophobicContact CD2-CG1 3.99Å; F67-V117 HydrophobicContact CE1-CG1 3.78Å; F67-V117 HydrophobicContact CE2-CB 4.35Å; F67-V117 HydrophobicContact CE2-CG1 3.89Å; F67-V117 HydrophobicContact CG-CG1 3.99Å; F67-V117 HydrophobicContact CZ-CG1 3.79Å; I101-V117 HydrophobicContact CD1-CG2 3.93Å; L112-V117 HydrophobicContact CB-CG2 4.39Å; L113-V117 PolarHBondContact O-N 3.04Å; P114-V117 PolarHBondContact O-N 2.8Å; V117-A120 WeakPolarHBondContact O-CB 3.42Å; V117-A120 PolarHBondContact O-N 3.28Å; V117-Q121 PolarHBondContact O-N 3.03Å; V117-Q121 VanDerWaalsContact O-N 3.1Å
118L98.8Very high97.5Very high0 Ų022.7 Ų22.70%012%0.117CC..Hα-helixtrans-64.4-41.4174179.254.1000112F8 F67 I71 P114 E115 A120 Q121 L122 L156 A159F8-L118 HydrophobicContact CD1-CD1 3.91Å; F8-L118 HydrophobicContact CD2-CD1 3.77Å; F8-L118 HydrophobicContact CE1-CD1 3.66Å; F8-L118 HydrophobicContact CE1-CD2 4.34Å; F8-L118 HydrophobicContact CE2-CD1 3.52Å; F8-L118 HydrophobicContact CG-CD1 3.98Å; F8-L118 HydrophobicContact CZ-CD1 3.5Å; F8-L118 VanDerWaalsContact CZ-CD1 3.5Å; F67-L118 HydrophobicContact CE2-CB 4.23Å; F67-L118 HydrophobicContact CE2-CD1 4.5Å; I71-L118 HydrophobicContact CD1-CB 3.86Å; I71-L118 HydrophobicContact CD1-CD2 3.89Å; I71-L118 HydrophobicContact CD1-CG 4.47Å; I71-L118 HydrophobicContact CG1-CD2 4.15Å; I71-L118 HydrophobicContact CG2-CD2 4.12Å; P114-L118 PolarHBondContact O-N 2.88Å; E115-L118 PolarHBondContact O-N 3.19Å; L118-A120 VanDerWaalsContact C-N 3.32Å; L118-A120 PolarHBondContact O-N 2.93Å; L118-Q121 WeakPolarHBondContact O-CA 3.44Å; L118-Q121 WeakPolarHBondContact O-CB 3.33Å; L118-Q121 PolarHBondContact O-N 3.42Å; L118-L122 HydrophobicContact CD1-CD1 4.43Å; L118-L122 HydrophobicContact CD1-CD2 4.47Å; L118-L122 HydrophobicContact CD1-CG 4.09Å; L118-L122 HydrophobicContact CG-CD1 4.18Å; L118-L122 HydrophobicContact CG-CG 4.32Å; L118-L122 WeakPolarHBondContact O-CG 3.29Å; L118-L122 PolarHBondContact O-N 3.09Å; L118-L156 HydrophobicContact CD2-CB 4.08Å; L118-L156 HydrophobicContact CD2-CD1 4.25Å; L118-L156 HydrophobicContact CD2-CG 3.94Å; L118-A159 HydrophobicContact CB-CB 3.82Å; L118-A159 HydrophobicContact CD2-CB 3.74Å; L118-A159 HydrophobicContact CG-CB 3.61Å
119A98.7Very high97.7Very high0 Ų020.1 Ų20.10%010%0.098CC..Hα-helixtrans-58-45.7176.700000111.6E115 Q116 Q121 L122 E123 A159 I162 A163E115-A119 WeakPolarHBondContact O-CB 3.34Å; E115-A119 PolarHBondContact O-N 3.07Å; Q116-A119 PolarHBondContact O-N 2.81Å; A119-Q121 VanDerWaalsContact C-N 3.29Å; A119-Q121 PolarHBondContact O-N 3.34Å; A119-L122 PolarHBondContact O-N 3.32Å; A119-E123 WeakPolarHBondContact O-CB 3.3Å; A119-E123 PolarHBondContact O-N 2.95Å; A119-A159 HydrophobicContact CB-CB 4.33Å; A119-A159 WeakPolarHBondContact CB-O 3.15Å; A119-I162 HydrophobicContact CB-CB 3.55Å; A119-I162 HydrophobicContact CB-CD1 4.44Å; A119-I162 HydrophobicContact CB-CG2 3.41Å; A119-I162 VanDerWaalsContact CB-CG2 3.41Å; A119-A163 HydrophobicContact CB-CB 4.27Å; A119-A163 WeakPolarHBondContact O-CB 3.24Å
120A98.4Very high97.7Very high0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-56.1-44.2172.500000112.1V39 R46 I48 Q116 V117 L118 E123 K124V39-A120 HydrophobicContact CG1-CB 4.22Å; V39-A120 HydrophobicContact CG2-CB 4.11Å; R46-A120 VanDerWaalsContact NH2-CB 3.32Å; I48-A120 HydrophobicContact CD1-CB 4Å; I48-A120 WeakPolarHBondContact CD1-O 3.12Å; Q116-A120 PolarHBondContact O-N 2.93Å; Q116-A120 VanDerWaalsContact O-N 3.16Å; V117-A120 WeakPolarHBondContact O-CB 3.42Å; V117-A120 PolarHBondContact O-N 3.28Å; L118-A120 VanDerWaalsContact C-N 3.32Å; L118-A120 PolarHBondContact O-N 2.93Å; A120-E123 WeakPolarHBondContact O-CB 3.37Å; A120-E123 PolarHBondContact O-N 3.36Å; A120-K124 PolarHBondContact O-N 2.81Å; A120-K124 VanDerWaalsContact O-N 3.11Å
121Q98.6Very high97.7Very high0 Ų017.6 Ų17.60%010%0.099CC..Hα-helixtrans-64.2-43.7178-174.661.473.800112F8 P36 C38 F67 V117 L118 A119 K124 L125F8-Q121 HydrophobicContact CD2-CG 4.33Å; F8-Q121 HydrophobicContact CE2-CG 4.24Å; P36-Q121 PolarHBondContact O-OE1 2.97Å; C38-Q121 VanDerWaalsContact N-OE1 3.1Å; F67-Q121 HydrophobicContact CZ-CB 4.13Å; F67-Q121 HydrophobicContact CZ-CG 4.44Å; V117-Q121 PolarHBondContact O-N 3.03Å; V117-Q121 VanDerWaalsContact O-N 3.1Å; L118-Q121 WeakPolarHBondContact O-CA 3.44Å; L118-Q121 WeakPolarHBondContact O-CB 3.33Å; L118-Q121 PolarHBondContact O-N 3.42Å; A119-Q121 VanDerWaalsContact C-N 3.29Å; A119-Q121 PolarHBondContact O-N 3.34Å; Q121-K124 PolarHBondContact O-N 3.1Å; Q121-L125 WeakPolarHBondContact O-CG 3.4Å; Q121-L125 PolarHBondContact O-N 3.36Å; Q121-L125 VanDerWaalsContact O-N 3.12Å
122L98.6Very high97.6Very high1 Ų118.2 Ų18.21%0.00510%0.096CC..Hα-helixtrans-64.6-39.3178-68.7175.2000111.9F6 L118 A119 L125 K126 I142 A159 A163F6-L122 HydrophobicContact CD2-CD2 4.06Å; L118-L122 HydrophobicContact CD1-CD1 4.43Å; L118-L122 HydrophobicContact CD1-CD2 4.47Å; L118-L122 HydrophobicContact CD1-CG 4.09Å; L118-L122 HydrophobicContact CG-CD1 4.18Å; L118-L122 HydrophobicContact CG-CG 4.32Å; L118-L122 WeakPolarHBondContact O-CG 3.29Å; L118-L122 PolarHBondContact O-N 3.09Å; A119-L122 PolarHBondContact O-N 3.32Å; L122-L125 PolarHBondContact O-N 3.2Å; L122-K126 PolarHBondContact O-N 2.94Å; L122-I142 HydrophobicContact CD1-CD1 4.41Å; L122-I142 HydrophobicContact CD2-CD1 3.93Å; L122-A159 HydrophobicContact CD1-CB 4.12Å; L122-A163 HydrophobicContact CB-CB 3.94Å
123E96.6Very high97.4Very high20 Ų2019.2 Ų19.29%0.09310%0.101CC..Hα-helixtrans-57.8-46.7172.9176.6-171.4-147.300111.2R46 A119 A120 L125 K126 E127 R553R46-E123 IonicContact NH2-OE2 3.28Å; R46-E123 PolarHBondContact NH2-OE2 2.9Å; A119-E123 WeakPolarHBondContact O-CB 3.3Å; A119-E123 PolarHBondContact O-N 2.95Å; A120-E123 WeakPolarHBondContact O-CB 3.37Å; A120-E123 PolarHBondContact O-N 3.36Å; E123-L125 VanDerWaalsContact C-N 3.3Å; E123-L125 PolarHBondContact O-N 3Å; E123-K126 WeakPolarHBondContact O-CB 3.24Å; E123-K126 PolarHBondContact O-N 3.48Å; E123-K126 VanDerWaalsContact O-N 3.14Å; E123-E127 PolarHBondContact O-N 3.16Å; E123-R553 VanDerWaalsContact OE1-CB 3.22Å; E123-R553 WeakPolarHBondContact OE1-CB 3.33Å; E123-R553 WeakPolarHBondContact OE1-CD 3.34Å; E123-R553 WeakPolarHBondContact OE1-CG 3.2Å; E123-R553 IonicContact OE1-CZ 2.66Å; E123-R553 IonicContact OE1-NE 3.71Å; E123-R553 PolarHBondContact OE1-NE 2.87Å; E123-R553 IonicContact OE1-NH2 3.07Å; E123-R553 PolarHBondContact OE1-NH2 2.72Å
124K97.6Very high97.2Very high11 Ų1128.2 Ų28.25%0.04814%0.14CC..Hα-helixtrans-62.8-37.2175.6-176.257.1176.1-177.30112.4D29 I48 A120 Q121 E127 I128D29-K124 IonicContact OD1-NZ 2.68Å; D29-K124 WeakPolarHBondContact OD2-CE 3.19Å; D29-K124 IonicContact OD2-NZ 3.54Å; D29-K124 PolarHBondContact OD2-NZ 2.82Å; I48-K124 HydrophobicContact CB-CB 3.89Å; I48-K124 HydrophobicContact CB-CG 4.04Å; I48-K124 HydrophobicContact CD1-CB 4.37Å; I48-K124 HydrophobicContact CG2-CB 3.44Å; I48-K124 VanDerWaalsContact CG2-CB 3.44Å; I48-K124 HydrophobicContact CG2-CG 3.89Å; A120-K124 PolarHBondContact O-N 2.81Å; A120-K124 VanDerWaalsContact O-N 3.11Å; Q121-K124 PolarHBondContact O-N 3.1Å; K124-E127 VanDerWaalsContact CD-OE2 3.28Å; K124-E127 WeakPolarHBondContact CD-OE2 3.27Å; K124-E127 IonicContact NZ-OE1 3.08Å; K124-E127 PolarHBondContact NZ-OE1 3.17Å; K124-E127 IonicContact NZ-OE2 3.92Å; K124-E127 PolarHBondContact NZ-OE2 2.82Å; K124-E127 PolarHBondContact O-N 2.89Å; K124-I128 HydrophobicContact CD-CD1 4.3Å; K124-I128 HydrophobicContact CD-CG1 4.37Å; K124-I128 HydrophobicContact CG-CD1 4Å; K124-I128 WeakPolarHBondContact O-CB 3.5Å; K124-I128 WeakPolarHBondContact O-CD1 3.48Å; K124-I128 VanDerWaalsContact O-CG1 3.24Å; K124-I128 WeakPolarHBondContact O-CG1 3.46Å; K124-I128 PolarHBondContact O-N 3.18Å
125L98.5Very high96.9Very high0 Ų030.3 Ų30.30%016%0.157CC..Hα-helixtrans-65.9-39.3174.8-59.3-173.2000111.5F6 C13 V15 T35 Q121 L122 E123 T129F6-L125 HydrophobicContact CB-CD1 4.16Å; F6-L125 HydrophobicContact CD1-CB 4.22Å; F6-L125 HydrophobicContact CD1-CD1 4.29Å; F6-L125 HydrophobicContact CD2-CB 4.22Å; F6-L125 HydrophobicContact CD2-CD1 4.06Å; F6-L125 HydrophobicContact CE1-CB 3.86Å; F6-L125 HydrophobicContact CE2-CB 3.83Å; F6-L125 HydrophobicContact CE2-CD1 4.5Å; F6-L125 HydrophobicContact CG-CB 4.41Å; F6-L125 HydrophobicContact CG-CD1 3.94Å; F6-L125 HydrophobicContact CZ-CB 3.66Å; C13-L125 HydrophobicContact CB-CD1 3.93Å; C13-L125 HydrophobicContact CB-CD2 3.75Å; C13-L125 HydrophobicContact CB-CG 4.44Å; V15-L125 HydrophobicContact CG2-CB 3.95Å; V15-L125 HydrophobicContact CG2-CD1 4.42Å; V15-L125 HydrophobicContact CG2-CD2 3.88Å; V15-L125 HydrophobicContact CG2-CG 4.27Å; T35-L125 HydrophobicContact CG2-CD2 4.16Å; Q121-L125 WeakPolarHBondContact O-CG 3.4Å; Q121-L125 PolarHBondContact O-N 3.36Å; Q121-L125 VanDerWaalsContact O-N 3.12Å; L122-L125 PolarHBondContact O-N 3.2Å; E123-L125 VanDerWaalsContact C-N 3.3Å; E123-L125 PolarHBondContact O-N 3Å; L125-T129 WeakPolarHBondContact O-CB 3.5Å; L125-T129 PolarHBondContact O-N 3.33Å; L125-T129 PolarHBondContact O-OG1 3.35Å
126K97.4Very high96.7Very high24 Ų2438.4 Ų38.410%0.10419%0.192CC..Hα-helixtrans-60.1-51.1172.7179.4-179.7172.2177.50110.8L122 E123 I128 T129 E130 V137 D164 I165L122-K126 PolarHBondContact O-N 2.94Å; E123-K126 WeakPolarHBondContact O-CB 3.24Å; E123-K126 PolarHBondContact O-N 3.48Å; E123-K126 VanDerWaalsContact O-N 3.14Å; K126-I128 PolarHBondContact O-N 3.43Å; K126-T129 CarbonylContact O-C 3.51Å; K126-T129 WeakPolarHBondContact O-CA 3.47Å; K126-T129 WeakPolarHBondContact O-CB 3.47Å; K126-T129 PolarHBondContact O-N 3Å; K126-E130 WeakPolarHBondContact CE-OE1 3.43Å; K126-E130 HydrophobicContact CG-CG 4.28Å; K126-E130 WeakPolarHBondContact O-CG 3.27Å; K126-E130 PolarHBondContact O-N 3.02Å; K126-V137 VanDerWaalsContact CE-O 3.23Å; K126-V137 WeakPolarHBondContact CE-O 3.38Å; K126-V137 HydrophobicContact CG-CB 4.26Å; K126-D164 PolarHBondContact NZ-O 3.48Å; K126-D164 IonicContact NZ-OD2 2.79Å; K126-I165 HydrophobicContact CB-CD1 4.44Å
127E95.8Very high96.6Very high81 Ų8137.7 Ų37.738%0.37919%0.189SC..Hα-helixtrans-55-49.9177.7-175.1-156.4130.800112E123 K124 T129 E130 A131E123-E127 PolarHBondContact O-N 3.16Å; K124-E127 VanDerWaalsContact CD-OE2 3.28Å; K124-E127 WeakPolarHBondContact CD-OE2 3.27Å; K124-E127 IonicContact NZ-OE1 3.08Å; K124-E127 PolarHBondContact NZ-OE1 3.17Å; K124-E127 IonicContact NZ-OE2 3.92Å; K124-E127 PolarHBondContact NZ-OE2 2.82Å; K124-E127 PolarHBondContact O-N 2.89Å; E127-T129 PolarHBondContact O-N 3.11Å; E127-E130 PolarHBondContact O-N 3.16Å; E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 3.19Å
128I97.3Very high96.4Very high8 Ų841.4 Ų41.44%0.04121%0.212CC..Hα-helixtrans-56.2-42.8176-71.7161.6000110.8V26 N28 T35 K124 K126 Y132V26-I128 HydrophobicContact CG1-CG2 3.77Å; N28-I128 HydrophobicContact CB-CD1 3.59Å; N28-I128 HydrophobicContact CB-CG1 3.98Å; N28-I128 HydrophobicContact CB-CG2 4.32Å; T35-I128 HydrophobicContact CG2-CD1 3.97Å; K124-I128 HydrophobicContact CD-CD1 4.3Å; K124-I128 HydrophobicContact CD-CG1 4.37Å; K124-I128 HydrophobicContact CG-CD1 4Å; K124-I128 WeakPolarHBondContact O-CB 3.5Å; K124-I128 WeakPolarHBondContact O-CD1 3.48Å; K124-I128 VanDerWaalsContact O-CG1 3.24Å; K124-I128 WeakPolarHBondContact O-CG1 3.46Å; K124-I128 PolarHBondContact O-N 3.18Å; K126-I128 PolarHBondContact O-N 3.43Å; I128-Y132 WeakPolarHBondContact O-CB 3.24Å; I128-Y132 PolarHBondContact O-N 2.96Å; I128-Y132 VanDerWaalsContact O-N 3.12Å
129T97.5Very high96.3Very high0 Ų043.2 Ų43.20%022%0.222CC..Hα-helixtrans-68.3-43.6-179.9-48.10000111.6V4 V15 V17 L125 K126 E127 Y132 L133 V137V4-T129 HydrophobicContact CG1-CG2 3.92Å; V4-T129 HydrophobicContact CG2-CG2 3.83Å; V15-T129 HydrophobicContact CG1-CG2 4.32Å; V15-T129 VanDerWaalsContact CG1-OG1 3.25Å; V15-T129 WeakPolarHBondContact CG1-OG1 3.29Å; V17-T129 HydrophobicContact CG1-CG2 3.61Å; L125-T129 WeakPolarHBondContact O-CB 3.5Å; L125-T129 PolarHBondContact O-N 3.33Å; L125-T129 PolarHBondContact O-OG1 3.35Å; K126-T129 CarbonylContact O-C 3.51Å; K126-T129 WeakPolarHBondContact O-CA 3.47Å; K126-T129 WeakPolarHBondContact O-CB 3.47Å; K126-T129 PolarHBondContact O-N 3Å; E127-T129 PolarHBondContact O-N 3.11Å; T129-Y132 PolarHBondContact O-N 3.05Å; T129-L133 HydrophobicContact CG2-CD1 3.83Å; T129-L133 HydrophobicContact CG2-CG 4.28Å; T129-L133 WeakPolarHBondContact O-CB 3.1Å; T129-L133 WeakPolarHBondContact O-CG 3.41Å; T129-L133 PolarHBondContact O-N 3.29Å; T129-V137 HydrophobicContact CG2-CG2 3.61Å
130E96.1Very high96.2Very high54 Ų5443.2 Ų43.225%0.25222%0.222SC..Hα-helixtrans-66.1-42.6-179.8-70.7-175.1150.700111.6K126 E127 Y132 L133 K134 A135 K136 V137K126-E130 WeakPolarHBondContact CE-OE1 3.43Å; K126-E130 HydrophobicContact CG-CG 4.28Å; K126-E130 WeakPolarHBondContact O-CG 3.27Å; K126-E130 PolarHBondContact O-N 3.02Å; E127-E130 PolarHBondContact O-N 3.16Å; E130-Y132 VanDerWaalsContact C-N 3.33Å; E130-Y132 PolarHBondContact O-N 2.88Å; E130-L133 PolarHBondContact O-N 2.88Å; E130-K134 VanDerWaalsContact O-CA 3.29Å; E130-K134 WeakPolarHBondContact O-CA 3.01Å; E130-K134 PolarHBondContact O-N 2.87Å; E130-A135 WeakPolarHBondContact CA-O 3.28Å; E130-A135 WeakPolarHBondContact CG-O 3.37Å; E130-A135 PolarHBondContact O-N 2.95Å; E130-K136 WeakPolarHBondContact OE1-CA 3.29Å; E130-V137 HydrophobicContact CG-CB 3.85Å; E130-V137 HydrophobicContact CG-CG2 3.72Å; E130-V137 PolarHBondContact OE1-N 2.86Å
131A94.9Very high96.2Very high74 Ų7443.2 Ų43.261%0.61222%0.222SC*.Hα-helixtrans-59.7-43.6174.100000111.6E127E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 3.19Å
132Y94.6Very high96.3Very high72 Ų7243.2 Ų43.228%0.28222%0.222SC..Hα-helixtrans-69.2-42178.8-175.9-90.1000113.3V17 R19 E24 V26 I128 T129 E130V17-Y132 HydrophobicContact CG2-CD1 4.29Å; V17-Y132 HydrophobicContact CG2-CE1 4.05Å; R19-Y132 PolarHBondContact NH2-O 3.23Å; E24-Y132 VanDerWaalsContact OE1-CE1 3.24Å; E24-Y132 WeakPolarHBondContact OE1-CE1 3.32Å; E24-Y132 PolarHBondContact OE1-OH 3.13Å; E24-Y132 PolarHBondContact OE2-OH 3.07Å; V26-Y132 HydrophobicContact CB-CG 4.33Å; V26-Y132 HydrophobicContact CG1-CD1 4.18Å; V26-Y132 HydrophobicContact CG1-CD2 3.66Å; V26-Y132 HydrophobicContact CG1-CE2 4.45Å; V26-Y132 HydrophobicContact CG1-CG 3.5Å; V26-Y132 HydrophobicContact CG2-CD1 3.72Å; V26-Y132 HydrophobicContact CG2-CD2 4.43Å; V26-Y132 HydrophobicContact CG2-CE1 4.07Å; V26-Y132 HydrophobicContact CG2-CG 3.94Å; I128-Y132 WeakPolarHBondContact O-CB 3.24Å; I128-Y132 PolarHBondContact O-N 2.96Å; I128-Y132 VanDerWaalsContact O-N 3.12Å; T129-Y132 PolarHBondContact O-N 3.05Å; E130-Y132 VanDerWaalsContact C-N 3.33Å; E130-Y132 PolarHBondContact O-N 2.88Å
133L93.8Very high96.3Very high29 Ų2943.2 Ų43.215%0.15222%0.222CC..Hα-helixtrans-81-18.1-179.2-68.3-179.2000113.3V17 T129 E130 A135 V137V17-L133 HydrophobicContact CB-CD2 4.3Å; V17-L133 HydrophobicContact CG1-CD1 4.21Å; V17-L133 HydrophobicContact CG1-CD2 4.37Å; V17-L133 HydrophobicContact CG1-CG 4.39Å; V17-L133 HydrophobicContact CG2-CD2 4.23Å; T129-L133 HydrophobicContact CG2-CD1 3.83Å; T129-L133 HydrophobicContact CG2-CG 4.28Å; T129-L133 WeakPolarHBondContact O-CB 3.1Å; T129-L133 WeakPolarHBondContact O-CG 3.41Å; T129-L133 PolarHBondContact O-N 3.29Å; E130-L133 PolarHBondContact O-N 2.88Å; L133-A135 HydrophobicContact CB-CB 4.33Å; L133-A135 PolarHBondContact O-N 2.9Å; L133-V137 HydrophobicContact CD1-CG2 4.15Å
134K93.7Very high96.4Very high194 Ų19442.3 Ų42.384%0.84322%0.218SC*.THydrogen-bonded Turntrans52.836.2-167.9-55.3-175179-172.90111.9E130E130-K134 VanDerWaalsContact O-CA 3.29Å; E130-K134 WeakPolarHBondContact O-CA 3.01Å; E130-K134 PolarHBondContact O-N 2.87Å
135A93.4Very high96.4Very high48 Ų4841.9 Ų41.940%0.39722%0.216SC..SBendtrans-154.5150.9-175.900000110.2E130 L133E130-A135 WeakPolarHBondContact CA-O 3.28Å; E130-A135 WeakPolarHBondContact CG-O 3.37Å; E130-A135 PolarHBondContact O-N 2.95Å; L133-A135 HydrophobicContact CB-CB 4.33Å; L133-A135 PolarHBondContact O-N 2.9Å
136K93.8Very high96.2Very high174 Ų17441.9 Ų41.976%0.75722%0.216SC*.  trans-64.2144.4177.8-69.1-167.3175.2-1720112.4S2 E130S2-K136 PolarHBondContact OG-O 2.8Å; E130-K136 WeakPolarHBondContact OE1-CA 3.29Å
137V95.2Very high96.1Very high1 Ų140.8 Ų40.81%0.00621%0.211CC..  trans-112.5111.3176172.50000108.6V4 K126 T129 E130 L133 I165V4-V137 HydrophobicContact CB-CG1 4.39Å; V4-V137 HydrophobicContact CG2-CG1 3.85Å; V4-V137 HydrophobicContact CG2-CG2 4.17Å; K126-V137 VanDerWaalsContact CE-O 3.23Å; K126-V137 WeakPolarHBondContact CE-O 3.38Å; K126-V137 HydrophobicContact CG-CB 4.26Å; T129-V137 HydrophobicContact CG2-CG2 3.61Å; E130-V137 HydrophobicContact CG-CB 3.85Å; E130-V137 HydrophobicContact CG-CG2 3.72Å; E130-V137 PolarHBondContact OE1-N 2.86Å; L133-V137 HydrophobicContact CD1-CG2 4.15Å; V137-I165 HydrophobicContact CG1-CD1 4.26Å
138T94.8Very high96.1Very high78 Ų7837.1 Ų37.148%0.47919%0.194SC..  trans-95.9-33.8-178.552.70000112.5G166T138-G166 WeakPolarHBondContact O-CA 3.48Å; T138-G166 PolarHBondContact O-N 2.97Å
139D96.3Very high96Very high39 Ų3936.9 Ų36.921%0.20919%0.193CC..EExtended strand (participates in β ladder)trans-137.6149.6-167.1-61-79.8000111.6M1 G166 L168M1-D139 HydrophobicContact CE-CB 3.54Å; D139-G166 CarbonylContact C-O 3.54Å; D139-G166 WeakPolarHBondContact CA-O 3.41Å; D139-L168 HydrophobicContact CB-CD1 4.02Å; D139-L168 HydrophobicContact CB-CD2 3.97Å; D139-L168 HydrophobicContact CB-CG 3.87Å
140C98.1Very high96Very high0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-149.2169.8175.268.70000112.5V4 F6 I142 I165 G166 L168V4-C140 HydrophobicContact CB-CB 4.22Å; V4-C140 HydrophobicContact CG1-CB 4.33Å; V4-C140 WeakPolarHBondContact O-CA 3.49Å; F6-C140 HydrophobicContact CD2-CB 4.38Å; F6-C140 HydrophobicContact CE2-CB 4.36Å; C140-I142 VanDerWaalsContact SG-CG1 3.52Å; C140-I165 HydrophobicContact CB-CD1 3.93Å; C140-I165 HydrophobicContact CB-CG1 4.48Å; C140-I165 VanDerWaalsContact SG-CD1 3.51Å; C140-G166 PolarHBondContact N-O 3.41Å; C140-L168 PolarHBondContact O-N 2.94Å
141V98.7Very high95.9Very high0 Ų034.8 Ų34.80%019%0.185CC..EExtended strand (participates in β ladder)trans-112.7135.4162.1168.80000108.2V4 G5 F6 L168 K169 L171 C376 Q379 C380 L383V4-V141 PolarHBondContact O-N 2.91Å; G5-V141 CarbonylContact C-O 3.5Å; G5-V141 WeakPolarHBondContact CA-O 3.37Å; F6-V141 PolarHBondContact N-O 3.07Å; V141-L168 HydrophobicContact CG2-CB 4.26Å; V141-K169 WeakPolarHBondContact CA-O 3.47Å; V141-K169 WeakPolarHBondContact CG1-O 3.48Å; V141-K169 HydrophobicContact CG2-CB 4.15Å; V141-L171 HydrophobicContact CG1-CB 3.86Å; V141-L171 HydrophobicContact CG1-CD2 4.45Å; V141-C376 HydrophobicContact CB-CB 4.32Å; V141-C376 WeakPolarHBondContact CB-O 3.46Å; V141-C376 HydrophobicContact CG1-CB 3.9Å; V141-Q379 HydrophobicContact CG1-CB 4.14Å; V141-Q379 HydrophobicContact CG1-CG 4.07Å; V141-Q379 HydrophobicContact CG2-CG 4.27Å; V141-C380 HydrophobicContact CB-CB 4.1Å; V141-C380 HydrophobicContact CG2-CB 3.68Å; V141-L383 HydrophobicContact CG2-CD1 4.11Å
142I98.9Very high96Very high0 Ų031.3 Ų31.30%016%0.156CC..EExtended strand (participates in β ladder)trans-118.2132.5-175.4-52178.3000110.1F6 L122 C140 L156 C160 K169 L170 L171F6-I142 HydrophobicContact CB-CG1 4.31Å; F6-I142 HydrophobicContact CB-CG2 4.42Å; F6-I142 HydrophobicContact CD2-CD1 4.49Å; F6-I142 HydrophobicContact CD2-CG1 4.3Å; F6-I142 WeakPolarHBondContact O-CA 3.44Å; L122-I142 HydrophobicContact CD1-CD1 4.41Å; L122-I142 HydrophobicContact CD2-CD1 3.93Å; C140-I142 VanDerWaalsContact SG-CG1 3.52Å; I142-L156 HydrophobicContact CB-CD2 4.48Å; I142-L156 HydrophobicContact CD1-CD2 4.01Å; I142-L156 HydrophobicContact CG2-CD1 4.1Å; I142-L156 HydrophobicContact CG2-CD2 4.41Å; I142-C160 WeakPolarHBondContact CD1-SG 3.46Å; I142-K169 PolarHBondContact N-O 2.85Å; I142-L170 HydrophobicContact CB-CD2 4.19Å; I142-L170 WeakPolarHBondContact O-CA 3.44Å; I142-L171 PolarHBondContact O-N 3.37Å
143G98.6Very high96.2Very high1 Ų128 Ų281%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-71.4132.8173.100000111.4F6 L171 C376F6-G143 PolarHBondContact O-N 3.41Å; G143-L171 CarbonylContact C-O 3.57Å; G143-L171 VanDerWaalsContact CA-O 3.31Å; G143-L171 WeakPolarHBondContact CA-O 3.44Å; G143-C376 VanDerWaalsContact CA-SG 3.57Å; G143-C376 PolarHBondContact N-SG 3.45Å
144V98.5Very high96.3Very high0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-130.5147173.1-620000110.9S146 W148 R153 L156 L170 L171 N172 E173V144-S146 PolarHBondContact O-N 3.22Å; V144-W148 HydrophobicContact CB-CD2 4.45Å; V144-W148 HydrophobicContact CB-CE3 3.87Å; V144-W148 HydrophobicContact CB-CZ3 4.26Å; V144-W148 HydrophobicContact CG1-CE3 3.9Å; V144-W148 HydrophobicContact CG1-CZ3 3.88Å; V144-R153 VanDerWaalsContact CG2-NH1 3.35Å; V144-L156 HydrophobicContact CG1-CD1 3.77Å; V144-L170 HydrophobicContact CG1-CB 4.27Å; V144-L170 HydrophobicContact CG1-CD1 4.49Å; V144-L170 HydrophobicContact CG1-CD2 4.15Å; V144-L170 HydrophobicContact CG2-CB 4.13Å; V144-L171 PolarHBondContact N-O 3.43Å; V144-N172 CarbonylContact O-C 3.57Å; V144-N172 VanDerWaalsContact O-CA 3.3Å; V144-N172 WeakPolarHBondContact O-CA 3.17Å; V144-E173 WeakPolarHBondContact O-CG 3.17Å; V144-E173 PolarHBondContact O-N 2.83Å
145P97.7Very high96.5Very high2 Ų218.8 Ų18.81%0.01310%0.101CC..  trans-57139.8172.6-25.535000111.3F147 W148 E173P145-F147 HydrophobicContact CB-CD1 3.96Å; P145-F147 HydrophobicContact CB-CD2 4.34Å; P145-F147 HydrophobicContact CB-CE1 3.53Å; P145-F147 HydrophobicContact CB-CE2 3.93Å; P145-F147 HydrophobicContact CB-CG 4.33Å; P145-F147 HydrophobicContact CB-CZ 3.48Å; P145-F147 VanDerWaalsContact CB-CZ 3.48Å; P145-F147 HydrophobicContact CG-CZ 4.17Å; P145-F147 PolarHBondContact O-N 2.79Å; P145-W148 HydrophobicContact CB-CG 4.18Å; P145-W148 VanDerWaalsContact CD-CE2 3.47Å; P145-W148 HydrophobicContact CG-CD2 4.24Å; P145-W148 HydrophobicContact CG-CG 4.26Å; P145-W148 HydrophobicContact CG-CZ2 4.26Å; P145-W148 WeakPolarHBondContact O-CB 3.42Å; P145-W148 PolarHBondContact O-N 2.93Å; P145-W148 VanDerWaalsContact O-N 3.09Å; P145-E173 VanDerWaalsContact CD-OE1 3.3Å; P145-E173 WeakPolarHBondContact CD-OE1 3.49Å
146S95.7Very high96.8Very high0 Ų016.5 Ų16.50%08%0.082CC..THydrogen-bonded Turntrans-58.3-34.6-176.8590000111.9V144 W148 R153 Q209 V225V144-S146 PolarHBondContact O-N 3.22Å; S146-W148 VanDerWaalsContact C-N 3.33Å; S146-W148 PolarHBondContact O-N 2.9Å; S146-R153 PolarHBondContact O-NH2 3.49Å; S146-Q209 PolarHBondContact OG-OE1 3.5Å; S146-Q209 VanDerWaalsContact OG-OE1 3.13Å; S146-V225 WeakPolarHBondContact OG-CG2 3.48Å
147F95Very high97Very high1 Ų110.5 Ų10.50%0.0046%0.058CC..THydrogen-bonded Turntrans-82.10.5-178.360.7-98.8000115P145 T149 T207 Q209 W227 M229 Y400 P452P145-F147 HydrophobicContact CB-CD1 3.96Å; P145-F147 HydrophobicContact CB-CD2 4.34Å; P145-F147 HydrophobicContact CB-CE1 3.53Å; P145-F147 HydrophobicContact CB-CE2 3.93Å; P145-F147 HydrophobicContact CB-CG 4.33Å; P145-F147 HydrophobicContact CB-CZ 3.48Å; P145-F147 VanDerWaalsContact CB-CZ 3.48Å; P145-F147 HydrophobicContact CG-CZ 4.17Å; P145-F147 PolarHBondContact O-N 2.79Å; F147-T149 PolarHBondContact O-N 3.43Å; F147-T207 HydrophobicContact CZ-CG2 3.9Å; F147-Q209 HydrophobicContact CD1-CG 4.19Å; F147-Q209 HydrophobicContact CE1-CG 3.84Å; F147-W227 HydrophobicContact CB-CD2 3.43Å; F147-W227 VanDerWaalsContact CB-CD2 3.43Å; F147-W227 HydrophobicContact CB-CE3 3.91Å; F147-W227 HydrophobicContact CB-CG 3.9Å; F147-W227 HydrophobicContact CB-CH2 3.97Å; F147-W227 HydrophobicContact CB-CZ2 3.48Å; F147-W227 VanDerWaalsContact CB-CZ2 3.48Å; F147-W227 HydrophobicContact CB-CZ3 4.15Å; F147-W227 HydrophobicContact CD1-CB 3.71Å; F147-W227 AromaticContact CD1-CD1 3.59Å; F147-W227 AromaticContact CD1-CD2 3.82Å; F147-W227 HydrophobicContact CD1-CD2 3.82Å; F147-W227 HydrophobicContact CD1-CE3 4.48Å; F147-W227 AromaticContact CD1-CG 3.4Å; F147-W227 HydrophobicContact CD1-CG 3.4Å; F147-W227 HydrophobicContact CE1-CB 4.11Å; F147-W227 HydrophobicContact CE1-CG 4.15Å; F147-W227 AromaticContact CG-CD1 3.69Å; F147-W227 AromaticContact CG-CD2 3.93Å; F147-W227 HydrophobicContact CG-CD2 3.93Å; F147-W227 AromaticContact CG-CE2 3.9Å; F147-W227 AromaticContact CG-CG 3.83Å; F147-W227 HydrophobicContact CG-CG 3.83Å; F147-W227 AromaticContact CG-NE1 3.72Å; F147-M229 HydrophobicContact CD2-CG 4.41Å; F147-M229 HydrophobicContact CD2-SD 4.05Å; F147-M229 HydrophobicContact CE2-CE 4.17Å; F147-M229 HydrophobicContact CE2-CG 3.91Å; F147-M229 HydrophobicContact CE2-SD 3.75Å; F147-M229 HydrophobicContact CZ-CG 4.11Å; F147-Y400 WeakPolarHBondContact CA-OH 3.29Å; F147-Y400 WeakPolarHBondContact CB-OH 3.15Å; F147-Y400 WeakPolarHBondContact O-CE2 3.33Å; F147-Y400 PolarHBondContact O-OH 3.37Å; F147-P452 HydrophobicContact CD2-CG 4.42Å
148W96Very high97.2Very high5 Ų511.2 Ų11.22%0.0196%0.061CC..  trans-65.4132.6174.4-85.617.2000112F8 K68 I71 V144 P145 S146 Q152 R153 L156F8-W148 HydrophobicContact CD1-CH2 4.4Å; F8-W148 HydrophobicContact CE1-CH2 4.34Å; K68-W148 HydrophobicContact CG-CH2 4.49Å; K68-W148 HydrophobicContact CG-CZ2 3.85Å; I71-W148 HydrophobicContact CB-CH2 4.27Å; I71-W148 HydrophobicContact CG2-CH2 4.26Å; I71-W148 HydrophobicContact CG2-CZ3 4.47Å; V144-W148 HydrophobicContact CB-CD2 4.45Å; V144-W148 HydrophobicContact CB-CE3 3.87Å; V144-W148 HydrophobicContact CB-CZ3 4.26Å; V144-W148 HydrophobicContact CG1-CE3 3.9Å; V144-W148 HydrophobicContact CG1-CZ3 3.88Å; P145-W148 HydrophobicContact CB-CG 4.18Å; P145-W148 VanDerWaalsContact CD-CE2 3.47Å; P145-W148 HydrophobicContact CG-CD2 4.24Å; P145-W148 HydrophobicContact CG-CG 4.26Å; P145-W148 HydrophobicContact CG-CZ2 4.26Å; P145-W148 WeakPolarHBondContact O-CB 3.42Å; P145-W148 PolarHBondContact O-N 2.93Å; P145-W148 VanDerWaalsContact O-N 3.09Å; S146-W148 VanDerWaalsContact C-N 3.33Å; S146-W148 PolarHBondContact O-N 2.9Å; W148-Q152 HydrophobicContact CB-CB 4.09Å; W148-Q152 HydrophobicContact CD2-CB 3.93Å; W148-Q152 HydrophobicContact CE3-CB 4.01Å; W148-Q152 HydrophobicContact CG-CB 4Å; W148-R153 HydrophobicContact CB-CG 4.38Å; W148-R153 PolarHBondContact O-NE 3.18Å; W148-R153 VanDerWaalsContact O-NE 3.13Å; W148-L156 HydrophobicContact CH2-CD1 4.15Å; W148-L156 HydrophobicContact CZ3-CB 4.16Å; W148-L156 HydrophobicContact CZ3-CD1 3.63Å
149T95.5Very high97.3Very high2 Ų27.5 Ų7.51%0.0124%0.039CC..  trans-73.1170.517665.20000111.8F147 A151 Q152 R153 Y400 Y445 I451 Y453F147-T149 PolarHBondContact O-N 3.43Å; T149-A151 VanDerWaalsContact C-N 3.27Å; T149-A151 PolarHBondContact O-N 3.33Å; T149-Q152 PolarHBondContact O-N 3.18Å; T149-R153 WeakPolarHBondContact O-CG 3.35Å; T149-R153 PolarHBondContact O-N 2.92Å; T149-Y400 HydrophobicContact CG2-CE2 4.21Å; T149-Y445 WeakPolarHBondContact CA-OH 3.45Å; T149-Y445 WeakPolarHBondContact CB-OH 3.44Å; T149-Y445 HydrophobicContact CG2-CE2 4.1Å; T149-I451 HydrophobicContact CG2-CG2 3.48Å; T149-I451 VanDerWaalsContact CG2-CG2 3.48Å; T149-Y453 HydrophobicContact CG2-CD1 4.18Å; T149-Y453 HydrophobicContact CG2-CG 4.37Å
150D96Very high97.5Very high2 Ų25.8 Ų5.81%0.0113%0.03CC..Hα-helixtrans-56.1-42.7176.7-171.9-85.4000111.1Q152 R153 R154 Y445 I458 I488 F489D150-Q152 PolarHBondContact O-N 3.09Å; D150-R153 PolarHBondContact O-N 2.93Å; D150-R154 WeakPolarHBondContact O-CG 3.46Å; D150-R154 PolarHBondContact O-N 2.95Å; D150-R154 WeakPolarHBondContact OD1-CD 3.09Å; D150-R154 IonicContact OD1-CZ 3.88Å; D150-R154 IonicContact OD1-NE 3.57Å; D150-R154 PolarHBondContact OD1-NE 2.95Å; D150-R154 IonicContact OD1-NH2 2.97Å; D150-R154 IonicContact OD2-NH2 3.31Å; D150-Y445 PolarHBondContact N-OH 2.94Å; D150-I458 HydrophobicContact CB-CG1 4.33Å; D150-I458 HydrophobicContact CB-CG2 4.04Å; D150-I488 WeakPolarHBondContact OD2-CA 3.4Å; D150-I488 WeakPolarHBondContact OD2-CG2 3.4Å; D150-F489 PolarHBondContact OD2-N 3.1Å
151A95.4Very high97.5Very high9 Ų98.4 Ų8.47%0.0745%0.048CC..Hα-helixtrans-59.6-44.5176.700000112.9T149 R154 A155 Y453 Y535T149-A151 VanDerWaalsContact C-N 3.27Å; T149-A151 PolarHBondContact O-N 3.33Å; A151-R154 PolarHBondContact O-N 3.49Å; A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 2.76Å; A151-Y453 HydrophobicContact CB-CE1 4.27Å; A151-Y535 HydrophobicContact CB-CD1 4.01Å; A151-Y535 HydrophobicContact CB-CD2 4.28Å; A151-Y535 HydrophobicContact CB-CG 3.77Å
152Q96.8Very high97.5Very high0 Ų08.5 Ų8.50%05%0.049CC..Hα-helixtrans-68.4-37178.6-58.9-175.6-98.100112.2I71 W148 T149 D150 A155 L156I71-Q152 WeakPolarHBondContact O-CG 3.38Å; I71-Q152 PolarHBondContact O-NE2 3.43Å; W148-Q152 HydrophobicContact CB-CB 4.09Å; W148-Q152 HydrophobicContact CD2-CB 3.93Å; W148-Q152 HydrophobicContact CE3-CB 4.01Å; W148-Q152 HydrophobicContact CG-CB 4Å; T149-Q152 PolarHBondContact O-N 3.18Å; D150-Q152 PolarHBondContact O-N 3.09Å; Q152-A155 PolarHBondContact O-N 3.36Å; Q152-L156 PolarHBondContact O-N 3.37Å; Q152-L156 VanDerWaalsContact O-N 3.16Å
153R97.8Very high97.4Very high4 Ų48.5 Ų8.52%0.0155%0.049CC..Hα-helixtrans-64.9-42.9174.9-70.2171.6-176.3-88.9-8.2111.3V144 S146 W148 T149 D150 L156 L157 L170 N172 S486 I488V144-R153 VanDerWaalsContact CG2-NH1 3.35Å; S146-R153 PolarHBondContact O-NH2 3.49Å; W148-R153 HydrophobicContact CB-CG 4.38Å; W148-R153 PolarHBondContact O-NE 3.18Å; W148-R153 VanDerWaalsContact O-NE 3.13Å; T149-R153 WeakPolarHBondContact O-CG 3.35Å; T149-R153 PolarHBondContact O-N 2.92Å; D150-R153 PolarHBondContact O-N 2.93Å; R153-L156 PolarHBondContact O-N 3.38Å; R153-L157 WeakPolarHBondContact O-CG 3.3Å; R153-L157 PolarHBondContact O-N 3.49Å; R153-L157 VanDerWaalsContact O-N 3.17Å; R153-L170 HydrophobicContact CB-CD1 3.76Å; R153-L170 HydrophobicContact CG-CD1 4.14Å; R153-N172 PolarHBondContact NH1-OD1 3.05Å; R153-N172 PolarHBondContact NH2-OD1 3.47Å; R153-S486 PolarHBondContact NH1-O 2.94Å; R153-I488 HydrophobicContact CB-CD1 4.1Å; R153-I488 HydrophobicContact CB-CG1 3.88Å
154R97.3Very high97.3Very high28 Ų2813.5 Ų13.511%0.1068%0.075CC..Hα-helixtrans-65.4-43175.2-71.3-178.7-170.7-87.3-1.9112.5D150 A151 L156 L157 D158 I488 F489 Y535D150-R154 WeakPolarHBondContact O-CG 3.46Å; D150-R154 PolarHBondContact O-N 2.95Å; D150-R154 WeakPolarHBondContact OD1-CD 3.09Å; D150-R154 IonicContact OD1-CZ 3.88Å; D150-R154 IonicContact OD1-NE 3.57Å; D150-R154 PolarHBondContact OD1-NE 2.95Å; D150-R154 IonicContact OD1-NH2 2.97Å; D150-R154 IonicContact OD2-NH2 3.31Å; A151-R154 PolarHBondContact O-N 3.49Å; R154-L156 PolarHBondContact O-N 2.89Å; R154-L157 CarbonylContact O-C 3.55Å; R154-L157 WeakPolarHBondContact O-CA 3.41Å; R154-L157 WeakPolarHBondContact O-CB 3.45Å; R154-L157 PolarHBondContact O-N 2.9Å; R154-D158 PolarHBondContact O-N 3.43Å; R154-I488 HydrophobicContact CG-CD1 4.46Å; R154-I488 VanDerWaalsContact NH2-CG2 3.3Å; R154-F489 PolarHBondContact NH2-O 3.33Å; R154-Y535 WeakPolarHBondContact CB-O 3.49Å; R154-Y535 WeakPolarHBondContact CD-O 3.49Å
155A97.9Very high97.2Very high0 Ų013.9 Ų13.90%08%0.077CC..Hα-helixtrans-56-38.4174.700000113I71 G72 E115 A151 Q152 D158 A159 Y535I71-A155 HydrophobicContact CG2-CB 3.81Å; G72-A155 VanDerWaalsContact CA-CB 3.42Å; E115-A155 HydrophobicContact CG-CB 3.82Å; E115-A155 WeakPolarHBondContact CG-O 3.3Å; E115-A155 VanDerWaalsContact OE1-CB 3.3Å; E115-A155 WeakPolarHBondContact OE1-CB 3.29Å; A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 2.76Å; Q152-A155 PolarHBondContact O-N 3.36Å; A155-D158 WeakPolarHBondContact O-CB 3.46Å; A155-D158 PolarHBondContact O-N 3.37Å; A155-A159 PolarHBondContact O-N 3.5Å; A155-Y535 HydrophobicContact CB-CE1 4.14Å
156L98.6Very high97.2Very high0 Ų015.1 Ų15.10%09%0.09CC..Hα-helixtrans-70.7-36174.2-179156.8000112.4L118 I142 V144 W148 Q152 R153 R154 D158 A159 C160 L170L118-L156 HydrophobicContact CD2-CB 4.08Å; L118-L156 HydrophobicContact CD2-CD1 4.25Å; L118-L156 HydrophobicContact CD2-CG 3.94Å; I142-L156 HydrophobicContact CB-CD2 4.48Å; I142-L156 HydrophobicContact CD1-CD2 4.01Å; I142-L156 HydrophobicContact CG2-CD1 4.1Å; I142-L156 HydrophobicContact CG2-CD2 4.41Å; V144-L156 HydrophobicContact CG1-CD1 3.77Å; W148-L156 HydrophobicContact CH2-CD1 4.15Å; W148-L156 HydrophobicContact CZ3-CB 4.16Å; W148-L156 HydrophobicContact CZ3-CD1 3.63Å; Q152-L156 PolarHBondContact O-N 3.37Å; Q152-L156 VanDerWaalsContact O-N 3.16Å; R153-L156 PolarHBondContact O-N 3.38Å; R154-L156 PolarHBondContact O-N 2.89Å; L156-D158 VanDerWaalsContact C-N 3.32Å; L156-A159 WeakPolarHBondContact O-CB 3.29Å; L156-A159 PolarHBondContact O-N 2.7Å; L156-C160 PolarHBondContact O-N 3.34Å; L156-C160 PolarHBondContact O-SG 3.11Å; L156-L170 HydrophobicContact CD2-CD1 4.4Å; L156-L170 HydrophobicContact CD2-CD2 3.25Å; L156-L170 HydrophobicContact CD2-CG 4.44Å
157L98.5Very high97.3Very high48 Ų4816.5 Ų16.525%0.25110%0.099SC..Hα-helixtrans-65.6-35.2172.4-65.3178.4000112.5R153 R154 A159 C160 S161 C167 L170 I488R153-L157 WeakPolarHBondContact O-CG 3.3Å; R153-L157 PolarHBondContact O-N 3.49Å; R153-L157 VanDerWaalsContact O-N 3.17Å; R154-L157 CarbonylContact O-C 3.55Å; R154-L157 WeakPolarHBondContact O-CA 3.41Å; R154-L157 WeakPolarHBondContact O-CB 3.45Å; R154-L157 PolarHBondContact O-N 2.9Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-C160 WeakPolarHBondContact O-CB 3.38Å; L157-C160 PolarHBondContact O-N 3.09Å; L157-S161 PolarHBondContact O-N 3.41Å; L157-S161 PolarHBondContact O-OG 2.95Å; L157-C167 HydrophobicContact CD2-CB 3.72Å; L157-L170 HydrophobicContact CD2-CD1 4.17Å; L157-L170 HydrophobicContact CD2-CD2 4.21Å; L157-L170 HydrophobicContact CD2-CG 4.17Å; L157-L170 HydrophobicContact CG-CD1 4.15Å; L157-I488 HydrophobicContact CD1-CD1 3.41Å; L157-I488 VanDerWaalsContact CD1-CD1 3.41Å; L157-I488 HydrophobicContact CG-CD1 4.45Å
158D98.6Very high97.4Very high16 Ų1619.4 Ų19.49%0.08612%0.115CC..Hα-helixtrans-61.6-45.1171.6-68.8-22.2000110.1R154 A155 L156 C160 S161 I162 C536 L537R154-D158 PolarHBondContact O-N 3.43Å; A155-D158 WeakPolarHBondContact O-CB 3.46Å; A155-D158 PolarHBondContact O-N 3.37Å; L156-D158 VanDerWaalsContact C-N 3.32Å; D158-C160 VanDerWaalsContact C-N 3.32Å; D158-C160 PolarHBondContact O-N 3.48Å; D158-S161 WeakPolarHBondContact O-CB 3.38Å; D158-S161 PolarHBondContact O-N 3.29Å; D158-S161 VanDerWaalsContact O-N 3.13Å; D158-I162 WeakPolarHBondContact O-CG1 3.29Å; D158-I162 PolarHBondContact O-N 2.83Å; D158-C536 VanDerWaalsContact OD2-CA 3.31Å; D158-C536 WeakPolarHBondContact OD2-CA 3.44Å; D158-L537 HydrophobicContact CB-CD1 4.02Å; D158-L537 HydrophobicContact CB-CG 4.12Å; D158-L537 PolarHBondContact OD2-N 3.38Å
159A98.8Very high97.5Very high0 Ų020 Ų200%012%0.118CC..Hα-helixtrans-61.1-37.4174.400000113E115 L118 A119 L122 A155 L156 L157 S161 I162 A163E115-A159 WeakPolarHBondContact O-CB 3.29Å; L118-A159 HydrophobicContact CB-CB 3.82Å; L118-A159 HydrophobicContact CD2-CB 3.74Å; L118-A159 HydrophobicContact CG-CB 3.61Å; A119-A159 HydrophobicContact CB-CB 4.33Å; A119-A159 WeakPolarHBondContact CB-O 3.15Å; L122-A159 HydrophobicContact CD1-CB 4.12Å; A155-A159 PolarHBondContact O-N 3.5Å; L156-A159 WeakPolarHBondContact O-CB 3.29Å; L156-A159 PolarHBondContact O-N 2.7Å; L157-A159 VanDerWaalsContact C-N 3.34Å; A159-S161 VanDerWaalsContact C-N 3.33Å; A159-I162 PolarHBondContact O-N 3.08Å; A159-A163 WeakPolarHBondContact O-CB 3.45Å; A159-A163 PolarHBondContact O-N 3.46Å
160C98.7Very high97.7Very high3 Ų320 Ų202%0.0212%0.118CC..Hα-helixtrans-62.6-41173.6-65.70000111.9I142 L156 L157 D158 A163 D164 I165 C167I142-C160 WeakPolarHBondContact CD1-SG 3.46Å; L156-C160 PolarHBondContact O-N 3.34Å; L156-C160 PolarHBondContact O-SG 3.11Å; L157-C160 WeakPolarHBondContact O-CB 3.38Å; L157-C160 PolarHBondContact O-N 3.09Å; D158-C160 VanDerWaalsContact C-N 3.32Å; D158-C160 PolarHBondContact O-N 3.48Å; C160-A163 PolarHBondContact O-N 3.09Å; C160-D164 PolarHBondContact O-N 2.91Å; C160-D164 VanDerWaalsContact O-N 3.13Å; C160-I165 HydrophobicContact CB-CG2 4.13Å; C160-I165 WeakPolarHBondContact CB-O 3.5Å; C160-I165 PolarHBondContact O-N 3.19Å; C160-C167 HydrophobicContact CB-CB 4.24Å
161S98.2Very high97.8Very high56 Ų5620 Ų2039%0.39212%0.117SC..Hα-helixtrans-66.1-40.4178-57.50000111.6L157 D158 A159 D164L157-S161 PolarHBondContact O-N 3.41Å; L157-S161 PolarHBondContact O-OG 2.95Å; D158-S161 WeakPolarHBondContact O-CB 3.38Å; D158-S161 PolarHBondContact O-N 3.29Å; D158-S161 VanDerWaalsContact O-N 3.13Å; A159-S161 VanDerWaalsContact C-N 3.33Å; S161-D164 PolarHBondContact O-N 3.5Å
162I98.6Very high98Very high2 Ų219.6 Ų19.61%0.0111%0.114CC..Hα-helixtrans-63.1-43.4173.7-62.8165.8000111.1Q116 A119 D158 A159 D164 L537 L542 F545 D549Q116-I162 HydrophobicContact CG-CD1 4.41Å; A119-I162 HydrophobicContact CB-CB 3.55Å; A119-I162 HydrophobicContact CB-CD1 4.44Å; A119-I162 HydrophobicContact CB-CG2 3.41Å; A119-I162 VanDerWaalsContact CB-CG2 3.41Å; D158-I162 WeakPolarHBondContact O-CG1 3.29Å; D158-I162 PolarHBondContact O-N 2.83Å; A159-I162 PolarHBondContact O-N 3.08Å; I162-D164 PolarHBondContact O-N 2.91Å; I162-L537 HydrophobicContact CD1-CD1 4.07Å; I162-L542 HydrophobicContact CG1-CD1 3.73Å; I162-F545 HydrophobicContact CD1-CB 3.81Å; I162-F545 HydrophobicContact CD1-CD2 4.13Å; I162-F545 HydrophobicContact CD1-CG 4.42Å; I162-F545 HydrophobicContact CG1-CB 3.96Å; I162-F545 HydrophobicContact CG2-CB 4.34Å; I162-D549 HydrophobicContact CG2-CB 3.8Å
163A97.7Very high98.1Very high0 Ų019.9 Ų19.90%012%0.115CC..THydrogen-bonded Turntrans-76.2-0.7-179.200000114.4A119 L122 A159 C160 I165A119-A163 HydrophobicContact CB-CB 4.27Å; A119-A163 WeakPolarHBondContact O-CB 3.24Å; L122-A163 HydrophobicContact CB-CB 3.94Å; A159-A163 WeakPolarHBondContact O-CB 3.45Å; A159-A163 PolarHBondContact O-N 3.46Å; C160-A163 PolarHBondContact O-N 3.09Å; A163-I165 HydrophobicContact CB-CG2 4.14Å; A163-I165 PolarHBondContact O-N 3.1Å
164D96.4Very high98.1Very high106 Ų10619.9 Ų19.957%0.56712%0.116SC*.THydrogen-bonded Turntrans53.649.3-175.6-175.847.2000112.1K126 C160 S161 I162K126-D164 PolarHBondContact NZ-O 3.48Å; K126-D164 IonicContact NZ-OD2 2.79Å; C160-D164 PolarHBondContact O-N 2.91Å; C160-D164 VanDerWaalsContact O-N 3.13Å; S161-D164 PolarHBondContact O-N 3.5Å; I162-D164 PolarHBondContact O-N 2.91Å
165I97.1Very high98.1Very high7 Ų718.5 Ų18.54%0.03611%0.111CC..  trans-131.2124.8174.3-167.3171.6000111F6 K126 V137 C140 C160 A163 C167F6-I165 HydrophobicContact CE2-CD1 3.51Å; F6-I165 HydrophobicContact CZ-CD1 3.9Å; K126-I165 HydrophobicContact CB-CD1 4.44Å; V137-I165 HydrophobicContact CG1-CD1 4.26Å; C140-I165 HydrophobicContact CB-CD1 3.93Å; C140-I165 HydrophobicContact CB-CG1 4.48Å; C140-I165 VanDerWaalsContact SG-CD1 3.51Å; C160-I165 HydrophobicContact CB-CG2 4.13Å; C160-I165 WeakPolarHBondContact CB-O 3.5Å; C160-I165 PolarHBondContact O-N 3.19Å; A163-I165 HydrophobicContact CB-CG2 4.14Å; A163-I165 PolarHBondContact O-N 3.1Å; I165-C167 PolarHBondContact O-N 3.3Å
166G97.2Very high98.2Very high28 Ų2818.5 Ų18.529%0.28911%0.111SC..EExtended strand (participates in β ladder)trans-68.8117.9176.200000111.4T138 D139 C140 L168T138-G166 WeakPolarHBondContact O-CA 3.48Å; T138-G166 PolarHBondContact O-N 2.97Å; D139-G166 CarbonylContact C-O 3.54Å; D139-G166 WeakPolarHBondContact CA-O 3.41Å; C140-G166 PolarHBondContact N-O 3.41Å; G166-L168 PolarHBondContact O-N 3.48Å
167C98.1Very high98.2Very high29 Ų2918.6 Ų18.620%0.19611%0.111CC..EExtended strand (participates in β ladder)trans-91.2100.6172.1176.20000110.2L157 C160 I165 K169 L170L157-C167 HydrophobicContact CD2-CB 3.72Å; C160-C167 HydrophobicContact CB-CB 4.24Å; I165-C167 PolarHBondContact O-N 3.3Å; C167-K169 VanDerWaalsContact C-N 3.31Å; C167-K169 PolarHBondContact O-N 3.3Å; C167-L170 WeakPolarHBondContact SG-CD2 3.14Å
168L97.5Very high98.2Very high62 Ų6216.3 Ų16.333%0.32510%0.099SC..EExtended strand (participates in β ladder)trans-65.2-36.1180-59.5175.5000112.5M1 D139 C140 V141 G166 L383M1-L168 HydrophobicContact CE-CD1 3.49Å; M1-L168 VanDerWaalsContact CE-CD1 3.49Å; M1-L168 HydrophobicContact CE-CD2 3.91Å; M1-L168 HydrophobicContact CE-CG 4.23Å; D139-L168 HydrophobicContact CB-CD1 4.02Å; D139-L168 HydrophobicContact CB-CD2 3.97Å; D139-L168 HydrophobicContact CB-CG 3.87Å; C140-L168 PolarHBondContact O-N 2.94Å; V141-L168 HydrophobicContact CG2-CB 4.26Å; G166-L168 PolarHBondContact O-N 3.48Å; L168-L383 HydrophobicContact CB-CD1 3.99Å; L168-L383 HydrophobicContact CD1-CB 4.41Å
169K98.1Very high98.1Very high19 Ų1915.5 Ų15.58%0.08310%0.095CC..EExtended strand (participates in β ladder)trans-160.3138.3-179.9-176.3172.2172.1-173.80110.2V141 I142 C167 Q379 L383 P485V141-K169 WeakPolarHBondContact CA-O 3.47Å; V141-K169 WeakPolarHBondContact CG1-O 3.48Å; V141-K169 HydrophobicContact CG2-CB 4.15Å; I142-K169 PolarHBondContact N-O 2.85Å; C167-K169 VanDerWaalsContact C-N 3.31Å; C167-K169 PolarHBondContact O-N 3.3Å; K169-Q379 HydrophobicContact CD-CG 3.81Å; K169-L383 HydrophobicContact CB-CD1 3.88Å; K169-L383 HydrophobicContact CD-CD1 4.39Å; K169-P485 HydrophobicContact CD-CB 4.26Å; K169-P485 WeakPolarHBondContact CE-O 3.44Å
170L98.7Very high98.1Very high2 Ų216.3 Ų16.31%0.0110%0.1CC..EExtended strand (participates in β ladder)trans-86.5121.5159.8-56.6179.1000108.2I142 V144 R153 L156 L157 C167 S486 I488I142-L170 HydrophobicContact CB-CD2 4.19Å; I142-L170 WeakPolarHBondContact O-CA 3.44Å; V144-L170 HydrophobicContact CG1-CB 4.27Å; V144-L170 HydrophobicContact CG1-CD1 4.49Å; V144-L170 HydrophobicContact CG1-CD2 4.15Å; V144-L170 HydrophobicContact CG2-CB 4.13Å; R153-L170 HydrophobicContact CB-CD1 3.76Å; R153-L170 HydrophobicContact CG-CD1 4.14Å; L156-L170 HydrophobicContact CD2-CD1 4.4Å; L156-L170 HydrophobicContact CD2-CD2 3.25Å; L156-L170 HydrophobicContact CD2-CG 4.44Å; L157-L170 HydrophobicContact CD2-CD1 4.17Å; L157-L170 HydrophobicContact CD2-CD2 4.21Å; L157-L170 HydrophobicContact CD2-CG 4.17Å; L157-L170 HydrophobicContact CG-CD1 4.15Å; C167-L170 WeakPolarHBondContact SG-CD2 3.14Å; L170-S486 PolarHBondContact N-OG 3.03Å; L170-S486 WeakPolarHBondContact O-CA 3.48Å; L170-I488 HydrophobicContact CD1-CD1 4.42Å
171L98.5Very high98Very high1 Ų116.7 Ų16.71%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-107.5131.5-178.9-172.664000109V141 I142 G143 V144 E173 T175 A176 Q379V141-L171 HydrophobicContact CG1-CB 3.86Å; V141-L171 HydrophobicContact CG1-CD2 4.45Å; I142-L171 PolarHBondContact O-N 3.37Å; G143-L171 CarbonylContact C-O 3.57Å; G143-L171 VanDerWaalsContact CA-O 3.31Å; G143-L171 WeakPolarHBondContact CA-O 3.44Å; V144-L171 PolarHBondContact N-O 3.43Å; L171-E173 PolarHBondContact O-N 3.44Å; L171-T175 HydrophobicContact CD1-CG2 3.86Å; L171-A176 HydrophobicContact CD2-CB 3.58Å; L171-A176 HydrophobicContact CG-CB 4.11Å; L171-Q379 HydrophobicContact CD1-CG 4.29Å; L171-Q379 HydrophobicContact CD2-CB 3.74Å; L171-Q379 HydrophobicContact CD2-CG 4.11Å
172N98.6Very high97.9Very high1 Ų114 Ų141%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-58.5131.9170.7-71-13.7000109.3V144 R153 T174 T175 A176 D396V144-N172 CarbonylContact O-C 3.57Å; V144-N172 VanDerWaalsContact O-CA 3.3Å; V144-N172 WeakPolarHBondContact O-CA 3.17Å; R153-N172 PolarHBondContact NH1-OD1 3.05Å; R153-N172 PolarHBondContact NH2-OD1 3.47Å; N172-T174 PolarHBondContact O-N 2.86Å; N172-T175 CarbonylContact O-C 3.13Å; N172-T175 WeakPolarHBondContact O-CA 3.19Å; N172-T175 WeakPolarHBondContact O-CB 3.44Å; N172-T175 PolarHBondContact O-N 2.91Å; N172-A176 PolarHBondContact O-N 3.17Å; N172-D396 VanDerWaalsContact ND2-CG 3.33Å; N172-D396 PolarHBondContact ND2-OD1 3.29Å; N172-D396 VanDerWaalsContact ND2-OD1 3.08Å; N172-D396 PolarHBondContact ND2-OD2 2.92Å; N172-D396 VanDerWaalsContact ND2-OD2 3.11Å
173E98.6Very high97.6Very high6 Ų614.6 Ų14.63%0.0289%0.085CC..Hα-helixtrans-54.8-42.4179.7-73.2161.5-177.800111.5K68 V144 P145 L171 T175 A176 V177 Q209 V372K68-E173 IonicContact NZ-OE1 2.68Å; K68-E173 PolarHBondContact NZ-OE1 2.95Å; K68-E173 IonicContact NZ-OE2 3.52Å; V144-E173 WeakPolarHBondContact O-CG 3.17Å; V144-E173 PolarHBondContact O-N 2.83Å; P145-E173 VanDerWaalsContact CD-OE1 3.3Å; P145-E173 WeakPolarHBondContact CD-OE1 3.49Å; L171-E173 PolarHBondContact O-N 3.44Å; E173-T175 VanDerWaalsContact C-N 3.32Å; E173-T175 PolarHBondContact O-N 2.86Å; E173-A176 WeakPolarHBondContact O-CB 3.33Å; E173-A176 PolarHBondContact O-N 2.84Å; E173-V177 WeakPolarHBondContact O-CG2 3.38Å; E173-V177 PolarHBondContact O-N 2.61Å; E173-Q209 PolarHBondContact OE2-NE2 2.72Å; E173-V372 HydrophobicContact CB-CG1 4.29Å; E173-V372 HydrophobicContact CB-CG2 4.18Å; E173-V372 HydrophobicContact CG-CG1 3.9Å; E173-V372 HydrophobicContact CG-CG2 4.44Å
174T98.4Very high97.2Very high3 Ų321.6 Ų21.62%0.01811%0.113CC..Hα-helixtrans-58.8-42.4174.750.20000112.6N172 V177 A178 Q209 V225N172-T174 PolarHBondContact O-N 2.86Å; T174-V177 PolarHBondContact O-N 3.3Å; T174-A178 PolarHBondContact O-N 3.11Å; T174-Q209 HydrophobicContact CG2-CB 3.76Å; T174-V225 HydrophobicContact CG2-CG2 3.95Å
175T98.5Very high97Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-71.7-34177-58.40000111.9L171 N172 E173 A178 L179 L394 D396L171-T175 HydrophobicContact CD1-CG2 3.86Å; N172-T175 CarbonylContact O-C 3.13Å; N172-T175 WeakPolarHBondContact O-CA 3.19Å; N172-T175 WeakPolarHBondContact O-CB 3.44Å; N172-T175 PolarHBondContact O-N 2.91Å; E173-T175 VanDerWaalsContact C-N 3.32Å; E173-T175 PolarHBondContact O-N 2.86Å; T175-A178 PolarHBondContact O-N 3.27Å; T175-L179 VanDerWaalsContact O-CB 3.3Å; T175-L179 WeakPolarHBondContact O-CB 3.42Å; T175-L179 PolarHBondContact O-N 2.99Å; T175-L394 HydrophobicContact CG2-CD1 3.7Å; T175-L394 HydrophobicContact CG2-CD2 3.94Å; T175-L394 HydrophobicContact CG2-CG 4.04Å; T175-D396 VanDerWaalsContact CB-OD2 3.29Å; T175-D396 WeakPolarHBondContact CB-OD2 3.37Å; T175-D396 WeakPolarHBondContact CG2-OD2 3.48Å; T175-D396 PolarHBondContact OG1-OD1 3.06Å; T175-D396 PolarHBondContact OG1-OD2 2.84Å
176A98.6Very high96.4Very high0 Ų026.6 Ų26.60%013%0.131CC..Hα-helixtrans-61.6-46.717300000111L171 N172 E173 L179 T180 V372 G375L171-A176 HydrophobicContact CD2-CB 3.58Å; L171-A176 HydrophobicContact CG-CB 4.11Å; N172-A176 PolarHBondContact O-N 3.17Å; E173-A176 WeakPolarHBondContact O-CB 3.33Å; E173-A176 PolarHBondContact O-N 2.84Å; A176-L179 PolarHBondContact O-N 3.4Å; A176-T180 PolarHBondContact O-N 3.31Å; A176-T180 PolarHBondContact O-OG1 2.85Å; A176-T180 VanDerWaalsContact O-OG1 3.06Å; A176-V372 HydrophobicContact CB-CG1 4.3Å; A176-G375 VanDerWaalsContact O-CA 3.29Å; A176-G375 WeakPolarHBondContact O-CA 3.45Å
177V98.6Very high96.1Very high1 Ų133.7 Ų33.71%0.00616%0.157CC..Hα-helixtrans-60.2-47.3176.1173.50000111.1E173 T174 L179 T180 Y181 F200 V341 L366 A371 V372E173-V177 WeakPolarHBondContact O-CG2 3.38Å; E173-V177 PolarHBondContact O-N 2.61Å; T174-V177 PolarHBondContact O-N 3.3Å; V177-L179 PolarHBondContact O-N 3.08Å; V177-T180 PolarHBondContact O-N 2.87Å; V177-Y181 PolarHBondContact O-N 2.87Å; V177-Y181 VanDerWaalsContact O-N 3.1Å; V177-F200 HydrophobicContact CG1-CB 4.06Å; V177-F200 HydrophobicContact CG1-CD1 3.5Å; V177-F200 VanDerWaalsContact CG1-CD1 3.5Å; V177-F200 HydrophobicContact CG1-CE1 4.14Å; V177-F200 HydrophobicContact CG1-CG 3.84Å; V177-V341 HydrophobicContact CG1-CG1 3.93Å; V177-V341 HydrophobicContact CG1-CG2 3.94Å; V177-V341 HydrophobicContact CG2-CG2 3.91Å; V177-L366 HydrophobicContact CG1-CD1 3.63Å; V177-A371 HydrophobicContact CG1-CB 4.44Å; V177-A371 HydrophobicContact CG2-CB 4.03Å; V177-V372 HydrophobicContact CG2-CG2 3.78Å
178A98.5Very high96Very high0 Ų032.8 Ų32.80%015%0.149CC..Hα-helixtrans-60.9-44.3176.800000111.9T174 T175 T180 Y181 G182 F200 Y215 L220 M222T174-A178 PolarHBondContact O-N 3.11Å; T175-A178 PolarHBondContact O-N 3.27Å; A178-T180 PolarHBondContact O-N 3.15Å; A178-Y181 PolarHBondContact O-N 3.25Å; A178-G182 PolarHBondContact O-N 3.49Å; A178-F200 HydrophobicContact CB-CD2 3.96Å; A178-F200 HydrophobicContact CB-CE2 3.54Å; A178-F200 HydrophobicContact CB-CZ 4.28Å; A178-Y215 VanDerWaalsContact C-OH 3.25Å; A178-Y215 VanDerWaalsContact CA-OH 3.29Å; A178-Y215 WeakPolarHBondContact CA-OH 3.36Å; A178-Y215 WeakPolarHBondContact CB-OH 3.38Å; A178-Y215 PolarHBondContact O-OH 2.97Å; A178-L220 HydrophobicContact CB-CD1 3.97Å; A178-L220 HydrophobicContact CB-CD2 3.65Å; A178-L220 HydrophobicContact CB-CG 4.47Å; A178-M222 HydrophobicContact CB-SD 4.11Å
179L97.7Very high96Very high0 Ų031 Ų310%014%0.142CC..Hα-helixtrans-60.1-44.4176.6-178.259.6000112T175 A176 V177 Y181 G182 I183 L220 L378 Q379 I382 F392 L394T175-L179 VanDerWaalsContact O-CB 3.3Å; T175-L179 WeakPolarHBondContact O-CB 3.42Å; T175-L179 PolarHBondContact O-N 2.99Å; A176-L179 PolarHBondContact O-N 3.4Å; V177-L179 PolarHBondContact O-N 3.08Å; L179-Y181 VanDerWaalsContact C-N 3.28Å; L179-Y181 PolarHBondContact O-N 2.79Å; L179-G182 PolarHBondContact O-N 3.38Å; L179-I183 HydrophobicContact CD1-CB 4.19Å; L179-I183 HydrophobicContact CD1-CD1 4.14Å; L179-I183 HydrophobicContact CD1-CG1 4.41Å; L179-I183 WeakPolarHBondContact O-CB 3.35Å; L179-I183 PolarHBondContact O-N 2.91Å; L179-I183 VanDerWaalsContact O-N 3.09Å; L179-L220 HydrophobicContact CB-CD2 4.45Å; L179-L378 HydrophobicContact CD2-CB 3.85Å; L179-L378 HydrophobicContact CG-CB 4.09Å; L179-L378 HydrophobicContact CG-CD1 4.21Å; L179-Q379 HydrophobicContact CD2-CB 3.91Å; L179-I382 HydrophobicContact CD1-CD1 4.27Å; L179-I382 HydrophobicContact CD2-CD1 4.26Å; L179-F392 HydrophobicContact CD1-CD1 3.6Å; L179-F392 HydrophobicContact CD1-CE1 3.72Å; L179-L394 HydrophobicContact CB-CD1 4.36Å; L179-L394 HydrophobicContact CD1-CD1 4.21Å; L179-L394 HydrophobicContact CD2-CD1 4.22Å
180T97Very high95.9Very high17 Ų1731.8 Ų31.810%0.10415%0.152CC..Hα-helixtrans-57.7-40.4176-61.10000112.4A176 V177 A178 L366 A371 R374 G375A176-T180 PolarHBondContact O-N 3.31Å; A176-T180 PolarHBondContact O-OG1 2.85Å; A176-T180 VanDerWaalsContact O-OG1 3.06Å; V177-T180 PolarHBondContact O-N 2.87Å; A178-T180 PolarHBondContact O-N 3.15Å; T180-L366 HydrophobicContact CG2-CD2 4.14Å; T180-A371 PolarHBondContact OG1-O 3.23Å; T180-R374 HydrophobicContact CG2-CB 3.93Å; T180-G375 WeakPolarHBondContact OG1-CA 3.37Å; T180-G375 PolarHBondContact OG1-N 3.48Å
181Y97Very high95.6Very high10 Ų1037.8 Ų37.84%0.03918%0.18CC..Hα-helixtrans-70.4-44.2178.1176.9-94000113.3V177 A178 L179 K185 F188 V198 F200 Y215 S337 E339 L366V177-Y181 PolarHBondContact O-N 2.87Å; V177-Y181 VanDerWaalsContact O-N 3.1Å; A178-Y181 PolarHBondContact O-N 3.25Å; L179-Y181 VanDerWaalsContact C-N 3.28Å; L179-Y181 PolarHBondContact O-N 2.79Å; Y181-K185 HydrophobicContact CD1-CD 4.43Å; Y181-K185 HydrophobicContact CE1-CD 4Å; Y181-K185 PolarHBondContact OH-NZ 3.01Å; Y181-F188 HydrophobicContact CD1-CZ 4.27Å; Y181-F188 HydrophobicContact CE1-CE1 4.29Å; Y181-F188 AromaticContact CE1-CZ 3.94Å; Y181-F188 HydrophobicContact CE1-CZ 3.94Å; Y181-V198 HydrophobicContact CE1-CG1 4.31Å; Y181-V198 HydrophobicContact CE1-CG2 3.9Å; Y181-F200 HydrophobicContact CD1-CE1 4.31Å; Y181-F200 AromaticContact CD1-CZ 3.69Å; Y181-F200 HydrophobicContact CD1-CZ 3.69Å; Y181-F200 HydrophobicContact CD2-CE1 4.01Å; Y181-F200 HydrophobicContact CD2-CZ 4.22Å; Y181-F200 HydrophobicContact CE1-CZ 4.41Å; Y181-F200 AromaticContact CG-CE1 3.75Å; Y181-F200 HydrophobicContact CG-CE1 3.75Å; Y181-F200 AromaticContact CG-CZ 3.56Å; Y181-F200 HydrophobicContact CG-CZ 3.56Å; Y181-Y215 AromaticContact CD1-CE2 3.69Å; Y181-Y215 HydrophobicContact CD1-CE2 3.69Å; Y181-Y215 AromaticContact CD1-CZ 3.72Å; Y181-Y215 HydrophobicContact CE1-CD2 4.36Å; Y181-Y215 AromaticContact CE1-CE2 3.84Å; Y181-Y215 HydrophobicContact CE1-CE2 3.84Å; Y181-S337 PolarHBondContact OH-OG 2.93Å; Y181-E339 HydrophobicContact CD2-CG 3.97Å; Y181-E339 HydrophobicContact CE2-CG 3.78Å; Y181-E339 WeakPolarHBondContact CE2-OE1 3.13Å; Y181-L366 HydrophobicContact CD2-CD2 4.26Å; Y181-L366 HydrophobicContact CD2-CG 4.46Å
182G95.5Very high95.4Very high0 Ų043.2 Ų43.20%022%0.218CC..Hα-helixtrans-86.9-34.3-165.800000115.1A178 L179 Y184 K185 F188A178-G182 PolarHBondContact O-N 3.49Å; L179-G182 PolarHBondContact O-N 3.38Å; G182-Y184 PolarHBondContact O-N 3.08Å; G182-Y184 VanDerWaalsContact O-N 3.1Å; G182-K185 PolarHBondContact O-N 2.84Å; G182-F188 WeakPolarHBondContact O-CE2 3.47Å
183I92.5Very high95.3Very high15 Ų1548.1 Ų48.18%0.07724%0.24CC..THydrogen-bonded Turntrans-63.1-30-163-158.3174.7000114.1L179 L378 I382 V389 F392L179-I183 HydrophobicContact CD1-CB 4.19Å; L179-I183 HydrophobicContact CD1-CD1 4.14Å; L179-I183 HydrophobicContact CD1-CG1 4.41Å; L179-I183 WeakPolarHBondContact O-CB 3.35Å; L179-I183 PolarHBondContact O-N 2.91Å; L179-I183 VanDerWaalsContact O-N 3.09Å; I183-L378 HydrophobicContact CD1-CD2 3.91Å; I183-L378 HydrophobicContact CG2-CD1 3.67Å; I183-L378 HydrophobicContact CG2-CD2 3.81Å; I183-L378 HydrophobicContact CG2-CG 4.39Å; I183-I382 HydrophobicContact CD1-CD1 4.1Å; I183-V389 HydrophobicContact CD1-CG1 3.68Å; I183-F392 HydrophobicContact CB-CD2 4.46Å; I183-F392 HydrophobicContact CD1-CB 4.39Å; I183-F392 HydrophobicContact CG1-CB 4.13Å; I183-F392 HydrophobicContact CG1-CD1 4.45Å; I183-F392 HydrophobicContact CG1-CD2 4Å; I183-F392 HydrophobicContact CG1-CG 3.94Å
184Y89.4Confident95.2Very high147 Ų14753.4 Ų53.458%0.57628%0.276SS*.THydrogen-bonded Turntrans-92.9-9.5-178.3-58.6-63.9000113.7G182 L378G182-Y184 PolarHBondContact O-N 3.08Å; G182-Y184 VanDerWaalsContact O-N 3.1Å; Y184-L378 HydrophobicContact CE2-CD1 4.46Å; Y184-L378 HydrophobicContact CE2-CD2 4.3Å; Y184-L378 WeakPolarHBondContact OH-CD2 3.45Å
185K92.1Very high95.2Very high72 Ų7254.9 Ų54.931%0.31329%0.286SS..  trans-83.5123.5-177.1-68.9-168.6179.5-154.90110.8Y181 G182 F188Y181-K185 HydrophobicContact CD1-CD 4.43Å; Y181-K185 HydrophobicContact CE1-CD 4Å; Y181-K185 PolarHBondContact OH-NZ 3.01Å; G182-K185 PolarHBondContact O-N 2.84Å; K185-F188 HydrophobicContact CB-CD2 3.99Å; K185-F188 HydrophobicContact CB-CE1 4.33Å; K185-F188 HydrophobicContact CB-CE2 3.55Å; K185-F188 HydrophobicContact CB-CZ 3.73Å; K185-F188 HydrophobicContact CD-CE1 4.11Å; K185-F188 HydrophobicContact CD-CE2 4.42Å; K185-F188 HydrophobicContact CD-CZ 3.73Å; K185-F188 HydrophobicContact CG-CE2 4.46Å; K185-F188 HydrophobicContact CG-CZ 4.25Å
186Q85.8Confident95.2Very high145 Ų14556.5 Ų56.568%0.67829%0.293SS*.  trans-96.9-18.8-179-56.2-168.66.500113.4F188Q186-F188 PolarHBondContact O-N 2.94Å
187E91.1Very high95.1Very high177 Ų17757 Ų5783%0.82730%0.296SS*.  trans-73.9-3.2-174.5-42-81.6178.100113.3
188F96.1Very high95.1Very high10 Ų1057 Ų574%0.04430%0.296CS..PPolyproline II helixtrans-66.9144.6-175.2-70-46000112Y181 G182 K185 Q186 Q196 Y215Y181-F188 HydrophobicContact CD1-CZ 4.27Å; Y181-F188 HydrophobicContact CE1-CE1 4.29Å; Y181-F188 AromaticContact CE1-CZ 3.94Å; Y181-F188 HydrophobicContact CE1-CZ 3.94Å; G182-F188 WeakPolarHBondContact O-CE2 3.47Å; K185-F188 HydrophobicContact CB-CD2 3.99Å; K185-F188 HydrophobicContact CB-CE1 4.33Å; K185-F188 HydrophobicContact CB-CE2 3.55Å; K185-F188 HydrophobicContact CB-CZ 3.73Å; K185-F188 HydrophobicContact CD-CE1 4.11Å; K185-F188 HydrophobicContact CD-CE2 4.42Å; K185-F188 HydrophobicContact CD-CZ 3.73Å; K185-F188 HydrophobicContact CG-CE2 4.46Å; K185-F188 HydrophobicContact CG-CZ 4.25Å; Q186-F188 PolarHBondContact O-N 2.94Å; F188-Q196 HydrophobicContact CD1-CB 4.36Å; F188-Y215 HydrophobicContact CD1-CG 4.22Å; F188-Y215 HydrophobicContact CD2-CD1 4.17Å; F188-Y215 HydrophobicContact CD2-CG 4.23Å; F188-Y215 HydrophobicContact CE1-CD1 4.37Å; F188-Y215 AromaticContact CE1-CD2 3.93Å; F188-Y215 HydrophobicContact CE1-CD2 3.93Å; F188-Y215 AromaticContact CE1-CG 3.72Å; F188-Y215 HydrophobicContact CE1-CG 3.72Å; F188-Y215 AromaticContact CE2-CD1 3.5Å; F188-Y215 HydrophobicContact CE2-CD1 3.5Å; F188-Y215 VanDerWaalsContact CE2-CD1 3.5Å; F188-Y215 HydrophobicContact CE2-CD2 4.47Å; F188-Y215 HydrophobicContact CE2-CE1 4.16Å; F188-Y215 AromaticContact CE2-CG 3.69Å; F188-Y215 HydrophobicContact CE2-CG 3.69Å; F188-Y215 HydrophobicContact CG-CG 4.46Å; F188-Y215 AromaticContact CZ-CD1 3.63Å; F188-Y215 HydrophobicContact CZ-CD1 3.63Å; F188-Y215 AromaticContact CZ-CD2 3.77Å; F188-Y215 HydrophobicContact CZ-CD2 3.77Å; F188-Y215 HydrophobicContact CZ-CE1 4.15Å; F188-Y215 HydrophobicContact CZ-CE2 4.27Å; F188-Y215 AromaticContact CZ-CG 3.42Å; F188-Y215 HydrophobicContact CZ-CG 3.42Å; F188-Y215 VanDerWaalsContact CZ-CG 3.42Å
189P96.9Very high95.2Very high26 Ų2657 Ų5717%0.16930%0.296CS..PPolyproline II helixtrans-54.8149.8-179.4-24.633.5000112.6E193 P194 Q196 N216 K217P189-E193 VanDerWaalsContact CA-OE2 3.32Å; P189-E193 WeakPolarHBondContact CA-OE2 3.38Å; P189-E193 HydrophobicContact CB-CB 3.73Å; P189-E193 WeakPolarHBondContact CB-OE2 3.35Å; P189-P194 WeakPolarHBondContact CB-O 3.35Å; P189-P194 WeakPolarHBondContact CG-O 3.48Å; P189-Q196 HydrophobicContact CG-CB 4.25Å; P189-N216 CarbonylContact O-C 3.59Å; P189-N216 VanDerWaalsContact O-CA 3.25Å; P189-N216 WeakPolarHBondContact O-CA 3.45Å; P189-K217 PolarHBondContact O-N 2.91Å
190A95.7Very high95.2Very high34 Ų3457.1 Ų57.128%0.28130%0.297SS..PPolyproline II helixtrans-58.2159.9171.400000110.8S192 E193 N216A190-S192 PolarHBondContact O-N 3.42Å; A190-E193 HydrophobicContact CB-CG 4.15Å; A190-E193 PolarHBondContact N-OE2 2.89Å; A190-E193 WeakPolarHBondContact O-CB 3.49Å; A190-E193 PolarHBondContact O-N 3.07Å; A190-N216 PolarHBondContact O-ND2 3.5Å
191E92.4Very high95.3Very high129 Ų12956.3 Ų56.360%0.60329%0.292SS*.THydrogen-bonded Turntrans-64.5-22.7178.8-174.6168.5-163.600113.1E193 K219E191-E193 VanDerWaalsContact C-N 3.27Å; E191-K219 IonicContact OE1-NZ 3.6Å; E191-K219 PolarHBondContact OE1-NZ 3.38Å; E191-K219 IonicContact OE2-NZ 3.01Å; E191-K219 PolarHBondContact OE2-NZ 3.43Å
192S94.1Very high95.4Very high115 Ų11556.8 Ų56.880%0.80430%0.295SS*.THydrogen-bonded Turntrans-77.3-11172.1540000113.9A190A190-S192 PolarHBondContact O-N 3.42Å
193E96.6Very high95.5Very high103 Ų10356.9 Ų56.948%0.48130%0.295SS..SBendtrans-102.4156.3-178-66.5172.5163.700110.9P189 A190 E191 S195 N216P189-E193 VanDerWaalsContact CA-OE2 3.32Å; P189-E193 WeakPolarHBondContact CA-OE2 3.38Å; P189-E193 HydrophobicContact CB-CB 3.73Å; P189-E193 WeakPolarHBondContact CB-OE2 3.35Å; A190-E193 HydrophobicContact CB-CG 4.15Å; A190-E193 PolarHBondContact N-OE2 2.89Å; A190-E193 WeakPolarHBondContact O-CB 3.49Å; A190-E193 PolarHBondContact O-N 3.07Å; E191-E193 VanDerWaalsContact C-N 3.27Å; E193-S195 PolarHBondContact O-N 3.06Å; E193-N216 PolarHBondContact O-ND2 2.99Å
194P96.7Very high95.8Very high118 Ų11856.9 Ų56.977%0.76630%0.299SS*.PPolyproline II helixtrans-54.1130.8174.3-25.234.8000111.7P189P189-P194 WeakPolarHBondContact CB-O 3.35Å; P189-P194 WeakPolarHBondContact CG-O 3.48Å
195S97.7Very high96.2Very high33 Ų3351.6 Ų51.623%0.23128%0.28CS..PPolyproline II helixtrans-63.3145.1-179.461.10000112.2E193 N197 A214 Y215 N216E193-S195 PolarHBondContact O-N 3.06Å; S195-N197 PolarHBondContact O-N 3.3Å; S195-N197 PolarHBondContact OG-OD1 2.85Å; S195-A214 WeakPolarHBondContact OG-CB 3.39Å; S195-Y215 WeakPolarHBondContact CA-O 3.4Å; S195-N216 WeakPolarHBondContact CB-OD1 3.08Å
196Q98.3Very high96.4Very high34 Ų3448.4 Ų48.416%0.15927%0.267CS..EExtended strand (participates in β ladder)trans-80.9114.2170.1-173.7175.8-52.400109.4F188 P189 Y215 H336F188-Q196 HydrophobicContact CD1-CB 4.36Å; P189-Q196 HydrophobicContact CG-CB 4.25Å; Q196-Y215 PolarHBondContact N-O 3.07Å; Q196-Y215 PolarHBondContact O-N 3.46Å; Q196-H336 HydrophobicContact CG-CB 3.53Å; Q196-H336 VanDerWaalsContact CG-CG 3.48Å; Q196-H336 PolarHBondContact NE2-CD2 2.95Å; Q196-H336 PolarHBondContact NE2-NE2 3.42Å; Q196-H336 VanDerWaalsContact NE2-NE2 3.19Å
197N98.4Very high97Very high11 Ų1142 Ų426%0.05924%0.238CC..EExtended strand (participates in β ladder)trans-93.4130.2-176.5-47.3-55000111.3S195 C213 D334 I335 H336S195-N197 PolarHBondContact O-N 3.3Å; S195-N197 PolarHBondContact OG-OD1 2.85Å; N197-C213 CarbonylContact C-O 3.55Å; N197-C213 WeakPolarHBondContact CA-O 3.46Å; N197-D334 WeakPolarHBondContact CB-O 3.37Å; N197-D334 PolarHBondContact ND2-O 2.95Å; N197-I335 HydrophobicContact CB-CD1 4.35Å; N197-H336 VanDerWaalsContact O-CB 3.29Å; N197-H336 WeakPolarHBondContact O-CB 3.39Å; N197-H336 PolarHBondContact O-N 3.47Å
198V98.6Very high97.3Very high0 Ų033.6 Ų33.60%020%0.198CC..EExtended strand (participates in β ladder)trans-127.6137.7-178.9-178.70000109.3Y181 F200 C213 Y215 S337 E339Y181-V198 HydrophobicContact CE1-CG1 4.31Å; Y181-V198 HydrophobicContact CE1-CG2 3.9Å; V198-F200 HydrophobicContact CB-CE2 4.34Å; V198-F200 HydrophobicContact CB-CZ 4.38Å; V198-F200 HydrophobicContact CG1-CE1 4.07Å; V198-F200 HydrophobicContact CG1-CE2 3.98Å; V198-F200 HydrophobicContact CG1-CZ 3.71Å; V198-C213 PolarHBondContact N-O 2.79Å; V198-C213 PolarHBondContact O-N 2.77Å; V198-C213 PolarHBondContact O-SG 2.98Å; V198-C213 VanDerWaalsContact O-SG 3.34Å; V198-Y215 HydrophobicContact CB-CD2 4.43Å; V198-Y215 HydrophobicContact CB-CE2 4.03Å; V198-Y215 HydrophobicContact CG2-CD2 3.95Å; V198-Y215 HydrophobicContact CG2-CE2 3.93Å; V198-S337 WeakPolarHBondContact CA-O 3.45Å; V198-E339 HydrophobicContact CG1-CG 4.37Å
199I98.8Very high97.4Very high1 Ų133.2 Ų33.21%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-101.9129.4172.2-67.8176.3000109.2I201 I210 S211 A212 I324 L325 I335 S337 V338 E339 L358I199-I201 HydrophobicContact CG2-CG1 4Å; I199-I210 HydrophobicContact CG2-CG2 3.59Å; I199-S211 CarbonylContact C-O 3.57Å; I199-S211 VanDerWaalsContact CA-O 3.29Å; I199-S211 WeakPolarHBondContact CA-O 3.18Å; I199-A212 HydrophobicContact CG1-CB 4.17Å; I199-I324 HydrophobicContact CD1-CG2 4.23Å; I199-L325 HydrophobicContact CD1-CD2 4.2Å; I199-I335 HydrophobicContact CD1-CD1 3.81Å; I199-I335 HydrophobicContact CD1-CG1 3.88Å; I199-I335 HydrophobicContact CD1-CG2 4.07Å; I199-I335 HydrophobicContact CG1-CD1 4.08Å; I199-I335 HydrophobicContact CG1-CG1 4.48Å; I199-I335 HydrophobicContact CG1-CG2 4.1Å; I199-S337 PolarHBondContact N-O 2.81Å; I199-S337 VanDerWaalsContact N-O 3.09Å; I199-V338 HydrophobicContact CB-CG1 4.4Å; I199-V338 HydrophobicContact CB-CG2 4.36Å; I199-V338 HydrophobicContact CG2-CG1 4.28Å; I199-V338 CarbonylContact O-C 3.05Å; I199-V338 VanDerWaalsContact O-CA 3.28Å; I199-V338 WeakPolarHBondContact O-CA 3.38Å; I199-E339 PolarHBondContact O-N 2.89Å; I199-L358 HydrophobicContact CD1-CD1 3.88Å; I199-L358 HydrophobicContact CD1-CD2 4.23Å; I199-L358 HydrophobicContact CG2-CD1 4.38Å
200F98.8Very high97.5Very high3 Ų332 Ų321%0.01319%0.188CC..EExtended strand (participates in β ladder)trans-107.4130.8170.4-61.5-79.4000109.6V177 A178 Y181 V198 I210 S211 C213 Y215 E339 L366V177-F200 HydrophobicContact CG1-CB 4.06Å; V177-F200 HydrophobicContact CG1-CD1 3.5Å; V177-F200 VanDerWaalsContact CG1-CD1 3.5Å; V177-F200 HydrophobicContact CG1-CE1 4.14Å; V177-F200 HydrophobicContact CG1-CG 3.84Å; A178-F200 HydrophobicContact CB-CD2 3.96Å; A178-F200 HydrophobicContact CB-CE2 3.54Å; A178-F200 HydrophobicContact CB-CZ 4.28Å; Y181-F200 HydrophobicContact CD1-CE1 4.31Å; Y181-F200 AromaticContact CD1-CZ 3.69Å; Y181-F200 HydrophobicContact CD1-CZ 3.69Å; Y181-F200 HydrophobicContact CD2-CE1 4.01Å; Y181-F200 HydrophobicContact CD2-CZ 4.22Å; Y181-F200 HydrophobicContact CE1-CZ 4.41Å; Y181-F200 AromaticContact CG-CE1 3.75Å; Y181-F200 HydrophobicContact CG-CE1 3.75Å; Y181-F200 AromaticContact CG-CZ 3.56Å; Y181-F200 HydrophobicContact CG-CZ 3.56Å; V198-F200 HydrophobicContact CB-CE2 4.34Å; V198-F200 HydrophobicContact CB-CZ 4.38Å; V198-F200 HydrophobicContact CG1-CE1 4.07Å; V198-F200 HydrophobicContact CG1-CE2 3.98Å; V198-F200 HydrophobicContact CG1-CZ 3.71Å; F200-I210 CarbonylContact O-C 3.59Å; F200-I210 VanDerWaalsContact O-CA 3.31Å; F200-I210 WeakPolarHBondContact O-CA 3.38Å; F200-S211 PolarHBondContact N-O 2.77Å; F200-S211 PolarHBondContact O-N 2.86Å; F200-C213 WeakPolarHBondContact CE2-SG 3.48Å; F200-Y215 HydrophobicContact CE2-CE2 4.35Å; F200-Y215 WeakPolarHBondContact CE2-OH 3.35Å; F200-Y215 HydrophobicContact CZ-CE2 4.37Å; F200-Y215 WeakPolarHBondContact CZ-OH 3.32Å; F200-E339 WeakPolarHBondContact CA-O 3.49Å; F200-E339 HydrophobicContact CD1-CB 3.52Å; F200-E339 HydrophobicContact CD1-CG 4.2Å; F200-E339 HydrophobicContact CE1-CB 3.71Å; F200-E339 HydrophobicContact CE1-CG 3.85Å; F200-L366 HydrophobicContact CD1-CD1 4.3Å; F200-L366 HydrophobicContact CE1-CD1 4.04Å
201I98.8Very high97.7Very high0 Ų030.3 Ų30.30%018%0.175CC..EExtended strand (participates in β ladder)trans-117.6107.3178.5-57.6168.7000107.3I199 V203 I210 F317 L321 V338 E339 L340 V341 V354I199-I201 HydrophobicContact CG2-CG1 4Å; I201-V203 HydrophobicContact CG2-CG2 3.92Å; I201-I210 HydrophobicContact CB-CG1 4.49Å; I201-I210 HydrophobicContact CG1-CD1 4.26Å; I201-I210 HydrophobicContact CG1-CG1 4.29Å; I201-I210 HydrophobicContact CG1-CG2 3.91Å; I201-I210 HydrophobicContact CG2-CD1 4.23Å; I201-I210 HydrophobicContact CG2-CG1 4.13Å; I201-F317 HydrophobicContact CD1-CZ 4.35Å; I201-F317 HydrophobicContact CG2-CE2 3.58Å; I201-F317 HydrophobicContact CG2-CZ 3.79Å; I201-L321 HydrophobicContact CD1-CD2 3.58Å; I201-L321 HydrophobicContact CG1-CD2 4.25Å; I201-V338 HydrophobicContact CD1-CG1 3.49Å; I201-V338 VanDerWaalsContact CD1-CG1 3.49Å; I201-V338 HydrophobicContact CG1-CG1 4.1Å; I201-E339 PolarHBondContact N-O 2.93Å; I201-L340 HydrophobicContact CB-CD2 3.74Å; I201-L340 HydrophobicContact CD1-CD2 3.8Å; I201-L340 HydrophobicContact CG1-CD2 4.28Å; I201-L340 HydrophobicContact CG2-CD2 4.11Å; I201-V341 PolarHBondContact O-N 3.4Å; I201-V341 VanDerWaalsContact O-O 3.11Å; I201-V354 HydrophobicContact CD1-CG1 4.33Å; I201-V354 HydrophobicContact CD1-CG2 3.41Å; I201-V354 VanDerWaalsContact CD1-CG2 3.41Å
202D98.7Very high98Very high19 Ų1924.3 Ų24.310%0.10215%0.147CC..EExtended strand (participates in β ladder)trans-98.7110.4173.4-178.38.9000109.9T208 Q209 V341 G342D202-T208 CarbonylContact O-C 3.55Å; D202-T208 VanDerWaalsContact O-CA 3.26Å; D202-T208 WeakPolarHBondContact O-CA 3.42Å; D202-Q209 HydrophobicContact CB-CB 4.5Å; D202-Q209 PolarHBondContact N-O 2.86Å; D202-Q209 PolarHBondContact O-N 2.87Å; D202-V341 WeakPolarHBondContact CA-O 3.35Å; D202-V341 HydrophobicContact CB-CG2 3.61Å; D202-G342 VanDerWaalsContact OD1-CA 3.27Å; D202-G342 WeakPolarHBondContact OD1-CA 3.42Å
203V98.6Very high98.2Very high2 Ų218.8 Ų18.81%0.01211%0.109CC..EExtended strand (participates in β ladder)trans-106.790.5172.4-174.50000108I201 T208 F317 V341 G342 G343 G344 L350I201-V203 HydrophobicContact CG2-CG2 3.92Å; V203-T208 HydrophobicContact CG2-CG2 4.12Å; V203-F317 HydrophobicContact CG2-CE2 3.95Å; V203-V341 PolarHBondContact N-O 3.24Å; V203-G342 CarbonylContact O-C 3.56Å; V203-G342 WeakPolarHBondContact O-CA 3.44Å; V203-G343 PolarHBondContact O-N 3.43Å; V203-G344 WeakPolarHBondContact O-CA 3.36Å; V203-G344 PolarHBondContact O-N 2.97Å; V203-L350 HydrophobicContact CG1-CD1 4.3Å; V203-L350 HydrophobicContact CG2-CD1 4.18Å
204G98Very high98.3Very high16 Ų1614.2 Ų14.217%0.1659%0.088CC..  trans-78.9-168.1-179.400000113.3T207 G232 G233G204-T207 WeakPolarHBondContact CA-O 3.28Å; G204-T207 PolarHBondContact N-O 2.82Å; G204-G232 CarbonylContact O-C 3.58Å; G204-G232 WeakPolarHBondContact O-CA 3.29Å; G204-G233 PolarHBondContact O-N 3.47Å
205H97.9Very high98.3Very high36 Ų368.6 Ų8.617%0.1675%0.052CC..SBendtrans-71.2-47178.2174.5-92000112.7N10 Q11 G232 G233 R234N10-H205 PolarHBondContact ND2-CE1 3.32Å; N10-H205 PolarHBondContact ND2-ND1 2.94Å; Q11-H205 HydrophobicContact CB-CB 3.86Å; Q11-H205 VanDerWaalsContact CD-CD2 3.46Å; Q11-H205 PolarHBondContact OE1-CD2 3.2Å; H205-G232 CarbonylContact O-C 3.49Å; H205-G232 VanDerWaalsContact O-C 3.29Å; H205-G232 WeakPolarHBondContact O-CA 3.1Å; H205-G233 PolarHBondContact O-N 3.44Å; H205-R234 WeakPolarHBondContact O-CB 3.4Å; H205-R234 PolarHBondContact O-N 3.37Å
206S96.4Very high98.3Very high5 Ų58.3 Ų8.34%0.0355%0.048CC..SBendtrans-106-16.1-176.351.60000114.2N10N10-S206 VanDerWaalsContact CB-OG 3.3Å; N10-S206 WeakPolarHBondContact CB-OG 3.15Å
207T97.6Very high98.2Very high11 Ų1112.7 Ų12.77%0.0677%0.066CC..  trans-146.8157.6-171.261.10000111.9F147 G204 D228 M229 L231F147-T207 HydrophobicContact CZ-CG2 3.9Å; G204-T207 WeakPolarHBondContact CA-O 3.28Å; G204-T207 PolarHBondContact N-O 2.82Å; T207-D228 WeakPolarHBondContact CA-O 3.37Å; T207-M229 HydrophobicContact CG2-CB 4.41Å; T207-M229 HydrophobicContact CG2-CG 4.36Å; T207-L231 CarbonylContact C-O 3.57Å
208T98.8Very high97.9Very high0 Ų012.9 Ų12.90%07%0.071CC..EExtended strand (participates in β ladder)trans-113.7133.4166.9-69.90000109D202 V203 I210 W227 D228 L231 F317 L320D202-T208 CarbonylContact O-C 3.55Å; D202-T208 VanDerWaalsContact O-CA 3.26Å; D202-T208 WeakPolarHBondContact O-CA 3.42Å; V203-T208 HydrophobicContact CG2-CG2 4.12Å; T208-I210 HydrophobicContact CG2-CD1 4.5Å; T208-I210 HydrophobicContact CG2-CG1 4.07Å; T208-W227 CarbonylContact O-C 3.47Å; T208-W227 WeakPolarHBondContact O-CA 3.28Å; T208-W227 VanDerWaalsContact O-CB 3.3Å; T208-W227 WeakPolarHBondContact O-CB 3.28Å; T208-D228 PolarHBondContact N-O 2.86Å; T208-D228 PolarHBondContact O-N 2.9Å; T208-L231 VanDerWaalsContact CB-O 3.28Å; T208-L231 WeakPolarHBondContact CB-O 3.31Å; T208-L231 HydrophobicContact CG2-CD2 4.36Å; T208-L231 PolarHBondContact N-O 3.36Å; T208-L231 PolarHBondContact OG1-O 2.77Å; T208-F317 HydrophobicContact CG2-CD2 4.29Å; T208-F317 HydrophobicContact CG2-CE2 4.39Å; T208-L320 HydrophobicContact CG2-CD1 3.78Å
209Q98.6Very high97.8Very high1 Ų117.1 Ų17.11%0.0059%0.089CC..EExtended strand (participates in β ladder)trans-125.3131172.2-63.5175.7107.900108.9S146 F147 E173 T174 D202 V226 W227S146-Q209 PolarHBondContact OG-OE1 3.5Å; S146-Q209 VanDerWaalsContact OG-OE1 3.13Å; F147-Q209 HydrophobicContact CD1-CG 4.19Å; F147-Q209 HydrophobicContact CE1-CG 3.84Å; E173-Q209 PolarHBondContact OE2-NE2 2.72Å; T174-Q209 HydrophobicContact CG2-CB 3.76Å; D202-Q209 HydrophobicContact CB-CB 4.5Å; D202-Q209 PolarHBondContact N-O 2.86Å; D202-Q209 PolarHBondContact O-N 2.87Å; Q209-V226 CarbonylContact C-O 3.29Å; Q209-V226 WeakPolarHBondContact CA-O 3.38Å; Q209-W227 HydrophobicContact CG-CB 4.08Å
210I98.8Very high97.8Very high0 Ų017.1 Ų17.10%09%0.09CC..EExtended strand (participates in β ladder)trans-121.1129.2174.8-50-173.7000107.9I199 F200 I201 T208 V225 V226 F317 L320 L321 I324I199-I210 HydrophobicContact CG2-CG2 3.59Å; F200-I210 CarbonylContact O-C 3.59Å; F200-I210 VanDerWaalsContact O-CA 3.31Å; F200-I210 WeakPolarHBondContact O-CA 3.38Å; I201-I210 HydrophobicContact CB-CG1 4.49Å; I201-I210 HydrophobicContact CG1-CD1 4.26Å; I201-I210 HydrophobicContact CG1-CG1 4.29Å; I201-I210 HydrophobicContact CG1-CG2 3.91Å; I201-I210 HydrophobicContact CG2-CD1 4.23Å; I201-I210 HydrophobicContact CG2-CG1 4.13Å; T208-I210 HydrophobicContact CG2-CD1 4.5Å; T208-I210 HydrophobicContact CG2-CG1 4.07Å; I210-V225 CarbonylContact O-C 3.58Å; I210-V225 WeakPolarHBondContact O-CA 3.47Å; I210-V226 HydrophobicContact CB-CG2 3.75Å; I210-V226 HydrophobicContact CG1-CG2 4.4Å; I210-V226 PolarHBondContact N-O 2.91Å; I210-V226 PolarHBondContact O-N 3.18Å; I210-F317 HydrophobicContact CD1-CE2 4.41Å; I210-L320 HydrophobicContact CD1-CB 3.65Å; I210-L320 HydrophobicContact CD1-CD1 4.48Å; I210-L320 HydrophobicContact CG1-CB 4.4Å; I210-L321 HydrophobicContact CD1-CD2 3.7Å; I210-L321 HydrophobicContact CD1-CG 4.11Å; I210-I324 HydrophobicContact CG2-CB 4.12Å; I210-I324 HydrophobicContact CG2-CG1 4.05Å; I210-I324 HydrophobicContact CG2-CG2 3.93Å
211S98.6Very high97.7Very high0 Ų022.7 Ų22.70%011%0.114CC..EExtended strand (participates in β ladder)trans-126.4144.8177.363.50000111.2I199 F200 G224I199-S211 CarbonylContact C-O 3.57Å; I199-S211 VanDerWaalsContact CA-O 3.29Å; I199-S211 WeakPolarHBondContact CA-O 3.18Å; F200-S211 PolarHBondContact N-O 2.77Å; F200-S211 PolarHBondContact O-N 2.86Å; S211-G224 WeakPolarHBondContact CA-O 3.35Å
212A98.7Very high97.7Very high2 Ų222.8 Ų22.82%0.01711%0.114CC..EExtended strand (participates in β ladder)trans-110.2140.2169.100000108.4I199 L223 G224 I324 A328I199-A212 HydrophobicContact CG1-CB 4.17Å; A212-L223 HydrophobicContact CB-CB 4.25Å; A212-L223 WeakPolarHBondContact O-CB 3.18Å; A212-L223 PolarHBondContact O-N 2.77Å; A212-G224 PolarHBondContact N-O 2.81Å; A212-G224 VanDerWaalsContact N-O 3.08Å; A212-G224 PolarHBondContact O-N 2.9Å; A212-I324 HydrophobicContact CB-CD1 4.04Å; A212-I324 HydrophobicContact CB-CG1 3.87Å; A212-A328 HydrophobicContact CB-CB 3.55Å
213C98.3Very high97.7Very high0 Ų023.7 Ų23.70%012%0.119CC..EExtended strand (participates in β ladder)trans-140.8158.6178.968.30000111.3N197 V198 F200 Y215 L220 K221 M222N197-C213 CarbonylContact C-O 3.55Å; N197-C213 WeakPolarHBondContact CA-O 3.46Å; V198-C213 PolarHBondContact N-O 2.79Å; V198-C213 PolarHBondContact O-N 2.77Å; V198-C213 PolarHBondContact O-SG 2.98Å; V198-C213 VanDerWaalsContact O-SG 3.34Å; F200-C213 WeakPolarHBondContact CE2-SG 3.48Å; C213-Y215 WeakPolarHBondContact SG-CE2 3.24Å; C213-L220 HydrophobicContact CB-CD1 3.54Å; C213-K221 CarbonylContact C-O 3.57Å; C213-K221 VanDerWaalsContact CA-O 3.28Å; C213-K221 WeakPolarHBondContact CA-O 3.43Å; C213-M222 HydrophobicContact CB-CE 4.45Å; C213-M222 HydrophobicContact CB-SD 3.89Å
214A98.3Very high97.6Very high6 Ų623.7 Ų23.75%0.0512%0.119CC..EExtended strand (participates in β ladder)trans-114.3128.2175.900000109.6S195 K221 L223S195-A214 WeakPolarHBondContact OG-CB 3.39Å; A214-K221 HydrophobicContact CB-CB 4.48Å; A214-K221 PolarHBondContact N-O 3.49Å; A214-K221 PolarHBondContact O-N 3.48Å; A214-L223 HydrophobicContact CB-CD1 4.05Å; A214-L223 HydrophobicContact CB-CD2 3.88Å; A214-L223 HydrophobicContact CB-CG 4.06Å
215Y98.5Very high97.6Very high0 Ų023 Ų230%011%0.112CC..EExtended strand (participates in β ladder)trans-107.1134172.2-66.3-79.1000111.9A178 Y181 F188 S195 Q196 V198 F200 C213 K219 L220 F392A178-Y215 VanDerWaalsContact C-OH 3.25Å; A178-Y215 VanDerWaalsContact CA-OH 3.29Å; A178-Y215 WeakPolarHBondContact CA-OH 3.36Å; A178-Y215 WeakPolarHBondContact CB-OH 3.38Å; A178-Y215 PolarHBondContact O-OH 2.97Å; Y181-Y215 AromaticContact CD1-CE2 3.69Å; Y181-Y215 HydrophobicContact CD1-CE2 3.69Å; Y181-Y215 AromaticContact CD1-CZ 3.72Å; Y181-Y215 HydrophobicContact CE1-CD2 4.36Å; Y181-Y215 AromaticContact CE1-CE2 3.84Å; Y181-Y215 HydrophobicContact CE1-CE2 3.84Å; F188-Y215 HydrophobicContact CD1-CG 4.22Å; F188-Y215 HydrophobicContact CD2-CD1 4.17Å; F188-Y215 HydrophobicContact CD2-CG 4.23Å; F188-Y215 HydrophobicContact CE1-CD1 4.37Å; F188-Y215 AromaticContact CE1-CD2 3.93Å; F188-Y215 HydrophobicContact CE1-CD2 3.93Å; F188-Y215 AromaticContact CE1-CG 3.72Å; F188-Y215 HydrophobicContact CE1-CG 3.72Å; F188-Y215 AromaticContact CE2-CD1 3.5Å; F188-Y215 HydrophobicContact CE2-CD1 3.5Å; F188-Y215 VanDerWaalsContact CE2-CD1 3.5Å; F188-Y215 HydrophobicContact CE2-CD2 4.47Å; F188-Y215 HydrophobicContact CE2-CE1 4.16Å; F188-Y215 AromaticContact CE2-CG 3.69Å; F188-Y215 HydrophobicContact CE2-CG 3.69Å; F188-Y215 HydrophobicContact CG-CG 4.46Å; F188-Y215 AromaticContact CZ-CD1 3.63Å; F188-Y215 HydrophobicContact CZ-CD1 3.63Å; F188-Y215 AromaticContact CZ-CD2 3.77Å; F188-Y215 HydrophobicContact CZ-CD2 3.77Å; F188-Y215 HydrophobicContact CZ-CE1 4.15Å; F188-Y215 HydrophobicContact CZ-CE2 4.27Å; F188-Y215 AromaticContact CZ-CG 3.42Å; F188-Y215 HydrophobicContact CZ-CG 3.42Å; F188-Y215 VanDerWaalsContact CZ-CG 3.42Å; S195-Y215 WeakPolarHBondContact CA-O 3.4Å; Q196-Y215 PolarHBondContact N-O 3.07Å; Q196-Y215 PolarHBondContact O-N 3.46Å; V198-Y215 HydrophobicContact CB-CD2 4.43Å; V198-Y215 HydrophobicContact CB-CE2 4.03Å; V198-Y215 HydrophobicContact CG2-CD2 3.95Å; V198-Y215 HydrophobicContact CG2-CE2 3.93Å; F200-Y215 HydrophobicContact CE2-CE2 4.35Å; F200-Y215 WeakPolarHBondContact CE2-OH 3.35Å; F200-Y215 HydrophobicContact CZ-CE2 4.37Å; F200-Y215 WeakPolarHBondContact CZ-OH 3.32Å; C213-Y215 WeakPolarHBondContact SG-CE2 3.24Å; Y215-K219 WeakPolarHBondContact CA-O 3.39Å; Y215-L220 HydrophobicContact CD1-CB 4.24Å; Y215-L220 HydrophobicContact CD1-CD1 4.23Å; Y215-L220 HydrophobicContact CE1-CB 3.96Å; Y215-L220 HydrophobicContact CE1-CD1 3.61Å; Y215-L220 HydrophobicContact CE1-CD2 4.39Å; Y215-L220 HydrophobicContact CE1-CG 4.18Å; Y215-F392 HydrophobicContact CD1-CZ 4.37Å; Y215-F392 HydrophobicContact CE1-CZ 4.28Å
216N97.4Very high97.6Very high27 Ų2721.6 Ų21.614%0.14411%0.106CC..EExtended strand (participates in β ladder)trans-126170.8157.5-66.694.9000107.6P189 A190 E193 S195 G218 K219P189-N216 CarbonylContact O-C 3.59Å; P189-N216 VanDerWaalsContact O-CA 3.25Å; P189-N216 WeakPolarHBondContact O-CA 3.45Å; A190-N216 PolarHBondContact O-ND2 3.5Å; E193-N216 PolarHBondContact O-ND2 2.99Å; S195-N216 WeakPolarHBondContact CB-OD1 3.08Å; N216-G218 PolarHBondContact O-N 3.47Å; N216-K219 PolarHBondContact N-O 3.42Å; N216-K219 VanDerWaalsContact N-O 3.09Å; N216-K219 PolarHBondContact O-N 3.42Å
217K95.2Very high97.6Very high126 Ų12624 Ų2455%0.54811%0.114SC..THydrogen-bonded Turntrans-53.2110.7-179.1-172.8174.4-176.41740111.2P189 K219P189-K217 PolarHBondContact O-N 2.91Å; K217-K219 VanDerWaalsContact C-N 3.32Å; K217-K219 PolarHBondContact O-N 3.35Å
218G93.5Very high97.6Very high16 Ų1624.8 Ų24.817%0.16512%0.118CC..THydrogen-bonded Turntrans72.715.4-179.800000115.2N216 F392 G393N216-G218 PolarHBondContact O-N 3.47Å; G218-F392 CarbonylContact O-C 3.51Å; G218-F392 WeakPolarHBondContact O-CA 3.48Å; G218-G393 PolarHBondContact O-N 3.19Å
219K96.1Very high97.5Very high88 Ų8825.6 Ų25.638%0.38312%0.122SC..EExtended strand (participates in β ladder)trans-136.6132.6-179.7-72.1-179.3171.1172.90111.8E191 Y215 N216 K217 G393E191-K219 IonicContact OE1-NZ 3.6Å; E191-K219 PolarHBondContact OE1-NZ 3.38Å; E191-K219 IonicContact OE2-NZ 3.01Å; E191-K219 PolarHBondContact OE2-NZ 3.43Å; Y215-K219 WeakPolarHBondContact CA-O 3.39Å; N216-K219 PolarHBondContact N-O 3.42Å; N216-K219 VanDerWaalsContact N-O 3.09Å; N216-K219 PolarHBondContact O-N 3.42Å; K217-K219 VanDerWaalsContact C-N 3.32Å; K217-K219 PolarHBondContact O-N 3.35Å; K219-G393 CarbonylContact C-O 3.46Å; K219-G393 WeakPolarHBondContact CA-O 3.41Å
220L97.9Very high97.3Very high2 Ų230 Ų301%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-117.9123.1169.8164.459.8000108.9A178 L179 C213 Y215 M222 F392 G393 L394 T395A178-L220 HydrophobicContact CB-CD1 3.97Å; A178-L220 HydrophobicContact CB-CD2 3.65Å; A178-L220 HydrophobicContact CB-CG 4.47Å; L179-L220 HydrophobicContact CB-CD2 4.45Å; C213-L220 HydrophobicContact CB-CD1 3.54Å; Y215-L220 HydrophobicContact CD1-CB 4.24Å; Y215-L220 HydrophobicContact CD1-CD1 4.23Å; Y215-L220 HydrophobicContact CE1-CB 3.96Å; Y215-L220 HydrophobicContact CE1-CD1 3.61Å; Y215-L220 HydrophobicContact CE1-CD2 4.39Å; Y215-L220 HydrophobicContact CE1-CG 4.18Å; L220-M222 HydrophobicContact CD1-SD 4.05Å; L220-M222 HydrophobicContact CG-SD 4.46Å; L220-F392 HydrophobicContact CB-CE1 3.48Å; L220-F392 VanDerWaalsContact CB-CE1 3.48Å; L220-F392 HydrophobicContact CB-CZ 3.89Å; L220-F392 HydrophobicContact CD2-CE1 4.34Å; L220-G393 PolarHBondContact N-O 2.86Å; L220-L394 HydrophobicContact CD2-CD1 4.14Å; L220-L394 WeakPolarHBondContact O-CA 3.47Å; L220-T395 PolarHBondContact O-N 3.33Å
221K97.7Very high97.2Very high119 Ų11930 Ų3052%0.51715%0.145SC..EExtended strand (participates in β ladder)trans-119.6121.2171.3-178.6178.6178.5-176.10109.8C213 A214C213-K221 CarbonylContact C-O 3.57Å; C213-K221 VanDerWaalsContact CA-O 3.28Å; C213-K221 WeakPolarHBondContact CA-O 3.43Å; A214-K221 HydrophobicContact CB-CB 4.48Å; A214-K221 PolarHBondContact N-O 3.49Å; A214-K221 PolarHBondContact O-N 3.48Å
222M98.3Very high97.2Very high3 Ų330 Ų302%0.01515%0.145CC..EExtended strand (participates in β ladder)trans-67.8133.9168.5-57.1-51.9-70.900109.2A178 C213 L220 T395 V397A178-M222 HydrophobicContact CB-SD 4.11Å; C213-M222 HydrophobicContact CB-CE 4.45Å; C213-M222 HydrophobicContact CB-SD 3.89Å; L220-M222 HydrophobicContact CD1-SD 4.05Å; L220-M222 HydrophobicContact CG-SD 4.46Å; M222-T395 PolarHBondContact N-O 3.03Å; M222-V397 HydrophobicContact CB-CG1 4.07Å; M222-V397 HydrophobicContact CB-CG2 4Å; M222-V397 WeakPolarHBondContact O-CG1 3.42Å
223L97.7Very high97.2Very high38 Ų3830.1 Ų30.120%0.19915%0.147CC..EExtended strand (participates in β ladder)trans-101.8-31.2-179.4-61.6179.2000112.2A212 A214 A328 K330A212-L223 HydrophobicContact CB-CB 4.25Å; A212-L223 WeakPolarHBondContact O-CB 3.18Å; A212-L223 PolarHBondContact O-N 2.77Å; A214-L223 HydrophobicContact CB-CD1 4.05Å; A214-L223 HydrophobicContact CB-CD2 3.88Å; A214-L223 HydrophobicContact CB-CG 4.06Å; L223-A328 HydrophobicContact CB-CB 3.93Å; L223-A328 HydrophobicContact CD1-CB 4.48Å; L223-K330 HydrophobicContact CD1-CG 4.3Å
224G97.2Very high97.1Very high1 Ų130.7 Ų30.71%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-179.7163.2-179.300000111.1S211 A212 I324 E327S211-G224 WeakPolarHBondContact CA-O 3.35Å; A212-G224 PolarHBondContact N-O 2.81Å; A212-G224 VanDerWaalsContact N-O 3.08Å; A212-G224 PolarHBondContact O-N 2.9Å; G224-I324 WeakPolarHBondContact O-CD1 3.48Å; G224-E327 WeakPolarHBondContact CA-OE1 3.33Å
225V97.7Very high97.1Very high2 Ų231.6 Ų31.61%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-149.4126.7178.860.40000111.5S146 T174 I210 W227 E327 V397S146-V225 WeakPolarHBondContact OG-CG2 3.48Å; T174-V225 HydrophobicContact CG2-CG2 3.95Å; I210-V225 CarbonylContact O-C 3.58Å; I210-V225 WeakPolarHBondContact O-CA 3.47Å; V225-W227 HydrophobicContact CG1-CZ3 4.21Å; V225-W227 HydrophobicContact CG2-CE3 4.41Å; V225-W227 VanDerWaalsContact O-CZ3 3.27Å; V225-W227 WeakPolarHBondContact O-CZ3 3.47Å; V225-E327 PolarHBondContact N-OE1 3.4Å; V225-E327 VanDerWaalsContact O-OE1 3.13Å; V225-E327 VanDerWaalsContact O-OE2 3.12Å; V225-V397 HydrophobicContact CG1-CG2 4.14Å
226V97.7Very high97.1Very high7 Ų731.6 Ų31.64%0.04215%0.153CC..EExtended strand (participates in β ladder)trans-120.3156.8175.5-59.70000110.2Q209 I210 L320 Q323 I324 E327Q209-V226 CarbonylContact C-O 3.29Å; Q209-V226 WeakPolarHBondContact CA-O 3.38Å; I210-V226 HydrophobicContact CB-CG2 3.75Å; I210-V226 HydrophobicContact CG1-CG2 4.4Å; I210-V226 PolarHBondContact N-O 2.91Å; I210-V226 PolarHBondContact O-N 3.18Å; V226-L320 HydrophobicContact CB-CD2 4.21Å; V226-L320 HydrophobicContact CG2-CB 4.1Å; V226-L320 HydrophobicContact CG2-CD2 4.15Å; V226-Q323 HydrophobicContact CG1-CB 3.86Å; V226-I324 HydrophobicContact CG1-CB 4.41Å; V226-I324 HydrophobicContact CG1-CD1 4.34Å; V226-I324 HydrophobicContact CG2-CB 3.85Å; V226-I324 HydrophobicContact CG2-CD1 4.33Å; V226-E327 WeakPolarHBondContact CG1-OE2 3.49Å
227W97.8Very high97.1Very high54 Ų5430.4 Ų30.421%0.20515%0.147CC..EExtended strand (participates in β ladder)trans-154162.5-178.460.689000112.5F147 T208 Q209 V225 L320 P399 Y400F147-W227 HydrophobicContact CB-CD2 3.43Å; F147-W227 VanDerWaalsContact CB-CD2 3.43Å; F147-W227 HydrophobicContact CB-CE3 3.91Å; F147-W227 HydrophobicContact CB-CG 3.9Å; F147-W227 HydrophobicContact CB-CH2 3.97Å; F147-W227 HydrophobicContact CB-CZ2 3.48Å; F147-W227 VanDerWaalsContact CB-CZ2 3.48Å; F147-W227 HydrophobicContact CB-CZ3 4.15Å; F147-W227 HydrophobicContact CD1-CB 3.71Å; F147-W227 AromaticContact CD1-CD1 3.59Å; F147-W227 AromaticContact CD1-CD2 3.82Å; F147-W227 HydrophobicContact CD1-CD2 3.82Å; F147-W227 HydrophobicContact CD1-CE3 4.48Å; F147-W227 AromaticContact CD1-CG 3.4Å; F147-W227 HydrophobicContact CD1-CG 3.4Å; F147-W227 HydrophobicContact CE1-CB 4.11Å; F147-W227 HydrophobicContact CE1-CG 4.15Å; F147-W227 AromaticContact CG-CD1 3.69Å; F147-W227 AromaticContact CG-CD2 3.93Å; F147-W227 HydrophobicContact CG-CD2 3.93Å; F147-W227 AromaticContact CG-CE2 3.9Å; F147-W227 AromaticContact CG-CG 3.83Å; F147-W227 HydrophobicContact CG-CG 3.83Å; F147-W227 AromaticContact CG-NE1 3.72Å; T208-W227 CarbonylContact O-C 3.47Å; T208-W227 WeakPolarHBondContact O-CA 3.28Å; T208-W227 VanDerWaalsContact O-CB 3.3Å; T208-W227 WeakPolarHBondContact O-CB 3.28Å; Q209-W227 HydrophobicContact CG-CB 4.08Å; V225-W227 HydrophobicContact CG1-CZ3 4.21Å; V225-W227 HydrophobicContact CG2-CE3 4.41Å; V225-W227 VanDerWaalsContact O-CZ3 3.27Å; V225-W227 WeakPolarHBondContact O-CZ3 3.47Å; W227-L320 WeakPolarHBondContact O-CD2 3.36Å; W227-P399 HydrophobicContact CH2-CB 3.72Å; W227-P399 HydrophobicContact CZ3-CB 3.93Å; W227-Y400 AromaticContact CH2-CE1 3.86Å; W227-Y400 HydrophobicContact CH2-CE1 3.86Å; W227-Y400 AromaticContact CZ2-CE1 3.81Å; W227-Y400 HydrophobicContact CZ2-CE1 3.81Å; W227-Y400 AromaticContact CZ2-CZ 3.99Å; W227-Y400 WeakPolarHBondContact CZ2-OH 3.38Å
228D97.5Very high97.2Very high28 Ų2826.9 Ų26.915%0.1513%0.132CC..EExtended strand (participates in β ladder)trans-137.4127.6166.2-173.1-37.8000108.5T207 T208 D230 L231 K316 L320T207-D228 WeakPolarHBondContact CA-O 3.37Å; T208-D228 PolarHBondContact N-O 2.86Å; T208-D228 PolarHBondContact O-N 2.9Å; D228-D230 WeakPolarHBondContact OD1-CA 3.44Å; D228-D230 PolarHBondContact OD1-N 3.1Å; D228-L231 HydrophobicContact CB-CB 3.76Å; D228-L231 HydrophobicContact CB-CD2 4.24Å; D228-K316 IonicContact OD1-NZ 2.69Å; D228-K316 PolarHBondContact OD1-NZ 3.36Å; D228-K316 WeakPolarHBondContact OD2-CD 3.31Å; D228-K316 WeakPolarHBondContact OD2-CE 3.47Å; D228-K316 IonicContact OD2-NZ 2.77Å; D228-K316 PolarHBondContact OD2-NZ 3.23Å; D228-L320 HydrophobicContact CB-CD1 3.86Å; D228-L320 HydrophobicContact CB-CD2 4.37Å; D228-L320 HydrophobicContact CB-CG 4.48Å
229M95.2Very high97.4Very high17 Ų1727.4 Ų27.48%0.08413%0.134CC..THydrogen-bonded Turntrans-85.5-8.8-176.3-69.9-17258.900113.9V79 F147 T207 P452V79-M229 HydrophobicContact CG1-CE 3.84Å; V79-M229 HydrophobicContact CG2-CE 4.2Å; F147-M229 HydrophobicContact CD2-CG 4.41Å; F147-M229 HydrophobicContact CD2-SD 4.05Å; F147-M229 HydrophobicContact CE2-CE 4.17Å; F147-M229 HydrophobicContact CE2-CG 3.91Å; F147-M229 HydrophobicContact CE2-SD 3.75Å; F147-M229 HydrophobicContact CZ-CG 4.11Å; T207-M229 HydrophobicContact CG2-CB 4.41Å; T207-M229 HydrophobicContact CG2-CG 4.36Å; M229-P452 HydrophobicContact SD-CB 3.49Å; M229-P452 WeakPolarHBondContact SD-CB 3.18Å; M229-P452 HydrophobicContact SD-CG 3.71Å
230D94.9Very high97.6Very high93 Ų9323.2 Ų23.250%0.49712%0.115SC..THydrogen-bonded Turntrans-119.239.8176-47.6-55.4000109.2D228 K316D228-D230 WeakPolarHBondContact OD1-CA 3.44Å; D228-D230 PolarHBondContact OD1-N 3.1Å; D230-K316 PolarHBondContact O-NZ 2.92Å
231L98.1Very high97.5Very high1 Ų123.6 Ų23.61%0.00512%0.118CC..  trans-14775.2178-174.465.4000110T207 T208 D228 D235 F236 L313 K316 F317 L320T207-L231 CarbonylContact C-O 3.57Å; T208-L231 VanDerWaalsContact CB-O 3.28Å; T208-L231 WeakPolarHBondContact CB-O 3.31Å; T208-L231 HydrophobicContact CG2-CD2 4.36Å; T208-L231 PolarHBondContact N-O 3.36Å; T208-L231 PolarHBondContact OG1-O 2.77Å; D228-L231 HydrophobicContact CB-CB 3.76Å; D228-L231 HydrophobicContact CB-CD2 4.24Å; L231-D235 PolarHBondContact N-OD2 2.99Å; L231-F236 HydrophobicContact CD1-CE2 4.36Å; L231-F236 HydrophobicContact CD1-CZ 4.34Å; L231-L313 HydrophobicContact CD1-CB 3.8Å; L231-L313 HydrophobicContact CD1-CD2 4.21Å; L231-L313 WeakPolarHBondContact CD1-O 3.36Å; L231-K316 HydrophobicContact CD1-CB 4.48Å; L231-K316 HydrophobicContact CD2-CB 4.1Å; L231-F317 HydrophobicContact CD2-CB 3.97Å; L231-F317 HydrophobicContact CD2-CD2 4.33Å; L231-L320 HydrophobicContact CD2-CD1 3.89Å
232G97.8Very high97.5Very high0 Ų020.9 Ų20.90%011%0.11CC..SBendtrans-131.5178.5169.100000111.5G204 H205 R234 D235 F236G204-G232 CarbonylContact O-C 3.58Å; G204-G232 WeakPolarHBondContact O-CA 3.29Å; H205-G232 CarbonylContact O-C 3.49Å; H205-G232 VanDerWaalsContact O-C 3.29Å; H205-G232 WeakPolarHBondContact O-CA 3.1Å; G232-R234 PolarHBondContact O-N 2.72Å; G232-R234 VanDerWaalsContact O-N 3.09Å; G232-D235 PolarHBondContact N-OD2 3Å; G232-D235 PolarHBondContact O-N 2.93Å; G232-F236 VanDerWaalsContact O-CD2 3.23Å; G232-F236 WeakPolarHBondContact O-CD2 3.27Å
233G98.2Very high97.5Very high4 Ų423.2 Ų23.24%0.04112%0.124CC..Hα-helixtrans-48.7-36.417500000113.5G204 H205 D235 F236 D237 K274G204-G233 PolarHBondContact O-N 3.47Å; H205-G233 PolarHBondContact O-N 3.44Å; G233-D235 PolarHBondContact O-N 3.4Å; G233-F236 WeakPolarHBondContact O-CB 3.19Å; G233-F236 PolarHBondContact O-N 3.42Å; G233-D237 VanDerWaalsContact O-CG 3.25Å; G233-D237 PolarHBondContact O-N 2.88Å; G233-K274 PolarHBondContact O-NZ 3.36Å
234R97Very high97.5Very high12 Ų1221.4 Ų21.45%0.04511%0.114CC..Hα-helixtrans-62.1-37177.5-177.3-175.766-174.75.4113.1E83 H205 G232 F236 D237 M238E83-R234 IonicContact OE1-CZ 3.49Å; E83-R234 VanDerWaalsContact OE1-CZ 3.3Å; E83-R234 IonicContact OE1-NH1 2.79Å; E83-R234 PolarHBondContact OE1-NH1 2.88Å; E83-R234 IonicContact OE1-NH2 3.57Å; E83-R234 PolarHBondContact OE1-NH2 2.62Å; E83-R234 IonicContact OE2-NH1 3.4Å; E83-R234 PolarHBondContact OE2-NH1 2.98Å; H205-R234 WeakPolarHBondContact O-CB 3.4Å; H205-R234 PolarHBondContact O-N 3.37Å; G232-R234 PolarHBondContact O-N 2.72Å; G232-R234 VanDerWaalsContact O-N 3.09Å; R234-F236 VanDerWaalsContact C-N 3.31Å; R234-F236 PolarHBondContact O-N 3.42Å; R234-D237 WeakPolarHBondContact O-CB 3.35Å; R234-D237 PolarHBondContact O-N 2.79Å; R234-M238 HydrophobicContact CG-CG 4.44Å; R234-M238 WeakPolarHBondContact O-CB 3.38Å; R234-M238 WeakPolarHBondContact O-CG 3.33Å; R234-M238 PolarHBondContact O-N 3.19Å
235D98.1Very high97.5Very high26 Ų2621.8 Ų21.814%0.13912%0.117CC..Hα-helixtrans-71.7-31.8-177.1-57.5-67.7000111.5L231 G232 G233 S239 L313L231-D235 PolarHBondContact N-OD2 2.99Å; G232-D235 PolarHBondContact N-OD2 3Å; G232-D235 PolarHBondContact O-N 2.93Å; G233-D235 PolarHBondContact O-N 3.4Å; D235-S239 PolarHBondContact O-N 2.75Å; D235-S239 VanDerWaalsContact O-N 3.09Å; D235-S239 PolarHBondContact O-OG 2.98Å; D235-L313 HydrophobicContact CB-CD1 3.96Å; D235-L313 HydrophobicContact CB-CD2 4.12Å
236F98.6Very high97.5Very high0 Ų025.8 Ų25.80%014%0.138CC..Hα-helixtrans-66.1-43.2168-65.2-83.4000111.5L231 G232 G233 R234 M238 S239 L240 K274 F306 C310 L313 F314 L347L231-F236 HydrophobicContact CD1-CE2 4.36Å; L231-F236 HydrophobicContact CD1-CZ 4.34Å; G232-F236 VanDerWaalsContact O-CD2 3.23Å; G232-F236 WeakPolarHBondContact O-CD2 3.27Å; G233-F236 WeakPolarHBondContact O-CB 3.19Å; G233-F236 PolarHBondContact O-N 3.42Å; R234-F236 VanDerWaalsContact C-N 3.31Å; R234-F236 PolarHBondContact O-N 3.42Å; F236-M238 VanDerWaalsContact C-N 3.34Å; F236-M238 PolarHBondContact O-N 2.83Å; F236-S239 WeakPolarHBondContact O-CB 3.35Å; F236-S239 PolarHBondContact O-N 3.44Å; F236-L240 PolarHBondContact O-N 2.91Å; F236-K274 HydrophobicContact CB-CD 3.86Å; F236-F306 HydrophobicContact CB-CE2 4.21Å; F236-F306 HydrophobicContact CB-CZ 3.91Å; F236-F306 HydrophobicContact CD1-CE2 4.45Å; F236-F306 AromaticContact CD1-CZ 3.82Å; F236-F306 HydrophobicContact CD1-CZ 3.82Å; F236-F306 HydrophobicContact CG-CZ 4.25Å; F236-C310 HydrophobicContact CD1-CB 3.78Å; F236-C310 HydrophobicContact CE1-CB 3.93Å; F236-L313 HydrophobicContact CD1-CD1 3.82Å; F236-L313 HydrophobicContact CD2-CD1 4.32Å; F236-L313 HydrophobicContact CE1-CB 3.93Å; F236-L313 HydrophobicContact CE1-CD1 3.97Å; F236-L313 HydrophobicContact CE2-CD1 4.46Å; F236-L313 HydrophobicContact CG-CD1 4Å; F236-L313 HydrophobicContact CZ-CB 3.98Å; F236-L313 HydrophobicContact CZ-CD1 4.29Å; F236-F314 HydrophobicContact CD1-CZ 4.47Å; F236-F314 HydrophobicContact CE1-CD1 4.34Å; F236-F314 AromaticContact CE1-CE1 3.73Å; F236-F314 HydrophobicContact CE1-CE1 3.73Å; F236-F314 HydrophobicContact CE1-CE2 4.26Å; F236-F314 AromaticContact CE1-CZ 3.68Å; F236-F314 HydrophobicContact CE1-CZ 3.68Å; F236-F314 HydrophobicContact CZ-CE1 4.09Å; F236-F314 HydrophobicContact CZ-CZ 4.49Å; F236-L347 HydrophobicContact CD1-CD1 3.76Å; F236-L347 HydrophobicContact CD2-CD1 3.92Å; F236-L347 HydrophobicContact CE1-CD1 3.76Å; F236-L347 HydrophobicContact CE2-CD1 3.94Å; F236-L347 HydrophobicContact CG-CD1 3.85Å; F236-L347 HydrophobicContact CZ-CD1 3.86Å
237D98.1Very high97.5Very high2 Ų228 Ų281%0.01115%0.148CC..Hα-helixtrans-63.4-41.1176.8-59.3-34.4000111.5G233 R234 S239 L240 C241 M267 E271 K274G233-D237 VanDerWaalsContact O-CG 3.25Å; G233-D237 PolarHBondContact O-N 2.88Å; R234-D237 WeakPolarHBondContact O-CB 3.35Å; R234-D237 PolarHBondContact O-N 2.79Å; D237-S239 VanDerWaalsContact C-N 3.31Å; D237-S239 PolarHBondContact O-N 3.31Å; D237-L240 WeakPolarHBondContact O-CB 3.24Å; D237-L240 PolarHBondContact O-N 2.94Å; D237-C241 PolarHBondContact O-N 3.17Å; D237-C241 PolarHBondContact O-SG 2.86Å; D237-M267 HydrophobicContact CB-SD 3.61Å; D237-E271 WeakPolarHBondContact OD1-CA 3.42Å; D237-K274 WeakPolarHBondContact OD1-CD 3.06Å; D237-K274 WeakPolarHBondContact OD1-CE 3.16Å; D237-K274 IonicContact OD1-NZ 2.71Å; D237-K274 PolarHBondContact OD1-NZ 2.78Å; D237-K274 IonicContact OD2-NZ 3.5Å; D237-K274 PolarHBondContact OD2-NZ 2.92Å
238M96.8Very high97.5Very high51 Ų5125.4 Ų25.425%0.25114%0.138SC..Hα-helixtrans-63.7-35.3176.2-81.9-59.6-56.500112.6R234 F236 L240 C241 N242 M267R234-M238 HydrophobicContact CG-CG 4.44Å; R234-M238 WeakPolarHBondContact O-CB 3.38Å; R234-M238 WeakPolarHBondContact O-CG 3.33Å; R234-M238 PolarHBondContact O-N 3.19Å; F236-M238 VanDerWaalsContact C-N 3.34Å; F236-M238 PolarHBondContact O-N 2.83Å; M238-L240 VanDerWaalsContact C-N 3.34Å; M238-C241 PolarHBondContact O-N 2.9Å; M238-N242 WeakPolarHBondContact O-CB 3.35Å; M238-N242 VanDerWaalsContact O-CG 3.27Å; M238-N242 PolarHBondContact O-N 2.92Å; M238-N242 PolarHBondContact O-ND2 3.49Å; M238-N242 VanDerWaalsContact O-ND2 3.12Å; M238-M267 HydrophobicContact CG-CE 3.89Å; M238-M267 HydrophobicContact SD-CE 3.14Å; M238-M267 WeakPolarHBondContact SD-CE 3.4Å; M238-M267 HydrophobicContact SD-SD 4.48Å
239S98.1Very high97.5Very high27 Ų2726.1 Ų26.119%0.18915%0.149CC..Hα-helixtrans-61.9-44.6175.1-60.70000110.8D235 F236 D237 N242 V243D235-S239 PolarHBondContact O-N 2.75Å; D235-S239 VanDerWaalsContact O-N 3.09Å; D235-S239 PolarHBondContact O-OG 2.98Å; F236-S239 WeakPolarHBondContact O-CB 3.35Å; F236-S239 PolarHBondContact O-N 3.44Å; D237-S239 VanDerWaalsContact C-N 3.31Å; D237-S239 PolarHBondContact O-N 3.31Å; S239-N242 PolarHBondContact O-N 3.17Å; S239-V243 PolarHBondContact O-N 3.33Å
240L98.4Very high97.6Very high0 Ų030 Ų300%017%0.173CC..Hα-helixtrans-63.2-48.5173-70.3171.5000112F236 D237 M238 N242 V243 F244 C270 K274 M277 M301 F306 L309F236-L240 PolarHBondContact O-N 2.91Å; D237-L240 WeakPolarHBondContact O-CB 3.24Å; D237-L240 PolarHBondContact O-N 2.94Å; M238-L240 VanDerWaalsContact C-N 3.34Å; L240-N242 VanDerWaalsContact C-N 3.25Å; L240-N242 PolarHBondContact O-N 2.79Å; L240-V243 PolarHBondContact O-N 3.19Å; L240-V243 VanDerWaalsContact O-N 3.15Å; L240-F244 HydrophobicContact CB-CD2 4.28Å; L240-F244 HydrophobicContact CB-CE2 4.14Å; L240-F244 HydrophobicContact CD2-CE2 4Å; L240-F244 VanDerWaalsContact O-CD2 3.22Å; L240-F244 WeakPolarHBondContact O-CD2 3.34Å; L240-F244 PolarHBondContact O-N 3.11Å; L240-C270 HydrophobicContact CB-CB 3.89Å; L240-C270 HydrophobicContact CD1-CB 4.3Å; L240-K274 HydrophobicContact CD1-CB 4.02Å; L240-M277 HydrophobicContact CD1-CE 4.06Å; L240-M277 HydrophobicContact CD2-CE 4.18Å; L240-M301 HydrophobicContact CD2-CE 4.05Å; L240-M301 HydrophobicContact CD2-SD 3.44Å; L240-M301 WeakPolarHBondContact CD2-SD 3.4Å; L240-F306 HydrophobicContact CD1-CD2 4.04Å; L240-F306 HydrophobicContact CD1-CE2 3.93Å; L240-F306 HydrophobicContact CD2-CD2 3.66Å; L240-F306 HydrophobicContact CD2-CE2 4.29Å; L240-F306 HydrophobicContact CG-CD2 3.81Å; L240-F306 HydrophobicContact CG-CE2 3.92Å; L240-L309 HydrophobicContact CD2-CD2 4.25Å
241C97.8Very high97.7Very high11 Ų1131 Ų317%0.07417%0.173CC..Hα-helixtrans-55.7-42.1179.2-700000111.8D237 M238 A245 L266 M267D237-C241 PolarHBondContact O-N 3.17Å; D237-C241 PolarHBondContact O-SG 2.86Å; M238-C241 PolarHBondContact O-N 2.9Å; C241-A245 WeakPolarHBondContact O-CB 3.47Å; C241-A245 PolarHBondContact O-N 2.9Å; C241-L266 HydrophobicContact CB-CD2 4.45Å; C241-M267 VanDerWaalsContact SG-CA 3.57Å
242N97.1Very high97.6Very high62 Ų6233.3 Ų33.333%0.33218%0.182SC..Hα-helixtrans-64.6-41.5179.9-78.2-35.8000112.5M238 S239 L240 N246 R257M238-N242 WeakPolarHBondContact O-CB 3.35Å; M238-N242 VanDerWaalsContact O-CG 3.27Å; M238-N242 PolarHBondContact O-N 2.92Å; M238-N242 PolarHBondContact O-ND2 3.49Å; M238-N242 VanDerWaalsContact O-ND2 3.12Å; S239-N242 PolarHBondContact O-N 3.17Å; L240-N242 VanDerWaalsContact C-N 3.25Å; L240-N242 PolarHBondContact O-N 2.79Å; N242-N246 WeakPolarHBondContact O-CB 3.24Å; N242-N246 PolarHBondContact O-N 3.14Å; N242-N246 PolarHBondContact O-ND2 3.26Å; N242-R257 PolarHBondContact OD1-NH2 2.75Å
243V97.9Very high97.5Very high51 Ų5140.5 Ų40.531%0.30921%0.214SC..Hα-helixtrans-65.8-51.3176.8171.50000110.6S239 L240 A245 N246 E247 M301 L309S239-V243 PolarHBondContact O-N 3.33Å; L240-V243 PolarHBondContact O-N 3.19Å; L240-V243 VanDerWaalsContact O-N 3.15Å; V243-A245 PolarHBondContact O-N 2.87Å; V243-N246 PolarHBondContact O-N 3.01Å; V243-E247 PolarHBondContact O-N 3.01Å; V243-M301 HydrophobicContact CG1-CE 4.14Å; V243-L309 HydrophobicContact CG2-CD1 3.53Å; V243-L309 HydrophobicContact CG2-CD2 3.7Å; V243-L309 HydrophobicContact CG2-CG 4.27Å
244F98.3Very high97.4Very high1 Ų140.4 Ų40.40%0.00421%0.212CC..Hα-helixtrans-68.9-36.1-177.5-65.9-52.2000112.9L240 N246 E247 F248 L266 L273 L286 S299 M301L240-F244 HydrophobicContact CB-CD2 4.28Å; L240-F244 HydrophobicContact CB-CE2 4.14Å; L240-F244 HydrophobicContact CD2-CE2 4Å; L240-F244 VanDerWaalsContact O-CD2 3.22Å; L240-F244 WeakPolarHBondContact O-CD2 3.34Å; L240-F244 PolarHBondContact O-N 3.11Å; F244-N246 VanDerWaalsContact C-N 3.3Å; F244-N246 PolarHBondContact O-N 3.39Å; F244-E247 PolarHBondContact O-N 3.28Å; F244-F248 HydrophobicContact CB-CE2 4.07Å; F244-F248 HydrophobicContact CB-CZ 4.09Å; F244-F248 WeakPolarHBondContact O-CB 3.44Å; F244-F248 WeakPolarHBondContact O-CD1 3.48Å; F244-F248 WeakPolarHBondContact O-CD2 3.3Å; F244-F248 WeakPolarHBondContact O-CG 3.31Å; F244-F248 PolarHBondContact O-N 3.13Å; F244-L266 HydrophobicContact CB-CD1 4.07Å; F244-L266 HydrophobicContact CB-CD2 4.38Å; F244-L273 HydrophobicContact CE2-CD2 3.6Å; F244-L273 HydrophobicContact CZ-CD2 3.68Å; F244-L286 HydrophobicContact CD2-CD1 3.72Å; F244-L286 HydrophobicContact CE2-CD1 3.65Å; F244-L286 HydrophobicContact CG-CD1 4.33Å; F244-L286 HydrophobicContact CZ-CD1 4.23Å; F244-S299 VanDerWaalsContact CE1-OG 3.31Å; F244-S299 WeakPolarHBondContact CE1-OG 3.16Å; F244-M301 HydrophobicContact CZ-CB 4.19Å; F244-M301 HydrophobicContact CZ-CE 4.27Å
245A97.2Very high97.3Very high8 Ų844.3 Ų44.37%0.06623%0.234CC..Hα-helixtrans-60.7-40.3173.900000111.8C241 V243 F248 A249 V256 L266C241-A245 WeakPolarHBondContact O-CB 3.47Å; C241-A245 PolarHBondContact O-N 2.9Å; V243-A245 PolarHBondContact O-N 2.87Å; A245-F248 PolarHBondContact O-N 3.44Å; A245-A249 WeakPolarHBondContact O-CB 3.45Å; A245-A249 PolarHBondContact O-N 3.31Å; A245-V256 HydrophobicContact CB-CB 4.27Å; A245-V256 HydrophobicContact CB-CG2 4.46Å; A245-L266 HydrophobicContact CB-CD2 4.16Å
246N97.9Very high97.1Very high86 Ų8643.2 Ų43.246%0.4623%0.228SC..Hα-helixtrans-70.8-40.3176.6-68.1-12.3000111.9N242 V243 F244 F248 T250 R257N242-N246 WeakPolarHBondContact O-CB 3.24Å; N242-N246 PolarHBondContact O-N 3.14Å; N242-N246 PolarHBondContact O-ND2 3.26Å; V243-N246 PolarHBondContact O-N 3.01Å; F244-N246 VanDerWaalsContact C-N 3.3Å; F244-N246 PolarHBondContact O-N 3.39Å; N246-F248 VanDerWaalsContact C-N 3.33Å; N246-F248 PolarHBondContact O-N 3.01Å; N246-T250 PolarHBondContact O-N 3.27Å; N246-T250 PolarHBondContact O-OG1 2.92Å; N246-T250 VanDerWaalsContact O-OG1 3.06Å; N246-R257 PolarHBondContact OD1-NH1 2.98Å
247E97.7Very high96.8Very high53 Ų5349.5 Ų49.525%0.24825%0.252CS..Hα-helixtrans-58.3-47.4172.7-172.6-170.3150.600110.2V243 F244 A249 T250 K251 S299V243-E247 PolarHBondContact O-N 3.01Å; F244-E247 PolarHBondContact O-N 3.28Å; E247-A249 PolarHBondContact O-N 3.32Å; E247-T250 PolarHBondContact O-N 2.84Å; E247-K251 HydrophobicContact CG-CD 4.47Å; E247-K251 VanDerWaalsContact O-CB 3.25Å; E247-K251 WeakPolarHBondContact O-CB 3.44Å; E247-K251 PolarHBondContact O-N 2.88Å; E247-K251 IonicContact OE1-NZ 3.52Å; E247-S299 VanDerWaalsContact CD-OG 3.29Å; E247-S299 PolarHBondContact OE1-OG 2.99Å; E247-S299 WeakPolarHBondContact OE2-CB 3.45Å; E247-S299 PolarHBondContact OE2-OG 3.46Å
248F97.7Very high96.5Very high0 Ų052.8 Ų52.80%028%0.279CS..Hα-helixtrans-70.9-33.5-176.1-61.1-16.2000113.3F244 A245 N246 T250 Y252 K253 I254 V256 L266 L286 F291 V297F244-F248 HydrophobicContact CB-CE2 4.07Å; F244-F248 HydrophobicContact CB-CZ 4.09Å; F244-F248 WeakPolarHBondContact O-CB 3.44Å; F244-F248 WeakPolarHBondContact O-CD1 3.48Å; F244-F248 WeakPolarHBondContact O-CD2 3.3Å; F244-F248 WeakPolarHBondContact O-CG 3.31Å; F244-F248 PolarHBondContact O-N 3.13Å; A245-F248 PolarHBondContact O-N 3.44Å; N246-F248 VanDerWaalsContact C-N 3.33Å; N246-F248 PolarHBondContact O-N 3.01Å; F248-T250 PolarHBondContact O-N 3.4Å; F248-Y252 HydrophobicContact CB-CD2 4.19Å; F248-Y252 AromaticContact CD1-CD2 3.66Å; F248-Y252 HydrophobicContact CD1-CD2 3.66Å; F248-Y252 AromaticContact CD1-CE2 3.72Å; F248-Y252 HydrophobicContact CD1-CE2 3.72Å; F248-Y252 HydrophobicContact CE1-CD2 4.38Å; F248-Y252 HydrophobicContact CE1-CE2 4.01Å; F248-Y252 HydrophobicContact CG-CD2 4.14Å; F248-Y252 CarbonylContact O-C 3.5Å; F248-Y252 WeakPolarHBondContact O-CA 3.34Å; F248-Y252 PolarHBondContact O-N 2.86Å; F248-K253 PolarHBondContact O-N 3.46Å; F248-K253 VanDerWaalsContact O-N 3.1Å; F248-I254 HydrophobicContact CB-CD1 3.95Å; F248-I254 HydrophobicContact CB-CG1 3.78Å; F248-I254 PolarHBondContact O-N 2.93Å; F248-V256 HydrophobicContact CB-CG2 4.35Å; F248-V256 HydrophobicContact CD2-CG2 4.23Å; F248-L266 HydrophobicContact CE2-CD1 3.97Å; F248-L286 HydrophobicContact CE2-CD2 4.29Å; F248-L286 HydrophobicContact CZ-CD2 3.69Å; F248-F291 AromaticContact CD2-CE1 3.95Å; F248-F291 HydrophobicContact CD2-CE1 3.95Å; F248-F291 HydrophobicContact CE2-CE1 4.3Å; F248-V297 HydrophobicContact CD1-CB 4.22Å; F248-V297 HydrophobicContact CD1-CG1 4.4Å; F248-V297 HydrophobicContact CD2-CB 4.23Å; F248-V297 HydrophobicContact CD2-CG1 4.23Å; F248-V297 HydrophobicContact CD2-CG2 4.14Å; F248-V297 HydrophobicContact CE1-CB 3.94Å; F248-V297 HydrophobicContact CE1-CG2 4.37Å; F248-V297 HydrophobicContact CE2-CB 3.94Å; F248-V297 HydrophobicContact CE2-CG1 4.42Å; F248-V297 HydrophobicContact CE2-CG2 3.57Å; F248-V297 HydrophobicContact CG-CB 4.37Å; F248-V297 HydrophobicContact CG-CG1 4.21Å; F248-V297 HydrophobicContact CZ-CB 3.77Å; F248-V297 HydrophobicContact CZ-CG2 3.69Å
249A97Very high96.4Very high44 Ų4453 Ų5336%0.36428%0.281SS..Hα-helixtrans-58.7-36168.800000111.8A245 E247 K253 I254A245-A249 WeakPolarHBondContact O-CB 3.45Å; A245-A249 PolarHBondContact O-N 3.31Å; E247-A249 PolarHBondContact O-N 3.32Å; A249-K253 WeakPolarHBondContact O-CA 3.47Å; A249-I254 WeakPolarHBondContact CA-O 3.37Å; A249-I254 PolarHBondContact N-O 3.16Å
250T97.3Very high96.1Very high99 Ų9954.8 Ų54.861%0.60729%0.292SS*.Hα-helixtrans-82.5-50.6-178.9-54.70000112.3N246 E247 F248 K253N246-T250 PolarHBondContact O-N 3.27Å; N246-T250 PolarHBondContact O-OG1 2.92Å; N246-T250 VanDerWaalsContact O-OG1 3.06Å; E247-T250 PolarHBondContact O-N 2.84Å; F248-T250 PolarHBondContact O-N 3.4Å; T250-K253 WeakPolarHBondContact O-CE 3.36Å; T250-K253 PolarHBondContact O-NZ 3.14Å
251K97.4Very high95.9Very high112 Ų11259.5 Ų59.549%0.48731%0.313SS..Hα-helixtrans-79.3-42.6-170.7-175.8176.7177.9-171.30113.1E247 V298E247-K251 HydrophobicContact CG-CD 4.47Å; E247-K251 VanDerWaalsContact O-CB 3.25Å; E247-K251 WeakPolarHBondContact O-CB 3.44Å; E247-K251 PolarHBondContact O-N 2.88Å; E247-K251 IonicContact OE1-NZ 3.52Å; K251-V298 PolarHBondContact NZ-O 2.76Å
252Y96.4Very high95.8Very high50 Ų5059 Ų5920%0.19631%0.31CS..THydrogen-bonded Turntrans-110.4-5.4-175-59.8-74.6000113.4F248 I254 K295 D296 V297 V298F248-Y252 HydrophobicContact CB-CD2 4.19Å; F248-Y252 AromaticContact CD1-CD2 3.66Å; F248-Y252 HydrophobicContact CD1-CD2 3.66Å; F248-Y252 AromaticContact CD1-CE2 3.72Å; F248-Y252 HydrophobicContact CD1-CE2 3.72Å; F248-Y252 HydrophobicContact CE1-CD2 4.38Å; F248-Y252 HydrophobicContact CE1-CE2 4.01Å; F248-Y252 HydrophobicContact CG-CD2 4.14Å; F248-Y252 CarbonylContact O-C 3.5Å; F248-Y252 WeakPolarHBondContact O-CA 3.34Å; F248-Y252 PolarHBondContact O-N 2.86Å; Y252-I254 VanDerWaalsContact C-N 3.28Å; Y252-I254 PolarHBondContact O-N 2.88Å; Y252-K295 PolarHBondContact O-NZ 3.33Å; Y252-D296 WeakPolarHBondContact CE1-O 3.36Å; Y252-V297 HydrophobicContact CD1-CG1 4.43Å; Y252-V297 HydrophobicContact CD2-CB 4.05Å; Y252-V297 HydrophobicContact CD2-CG1 3.55Å; Y252-V297 HydrophobicContact CE2-CB 3.81Å; Y252-V297 HydrophobicContact CE2-CG1 3.85Å; Y252-V297 HydrophobicContact CG-CG1 3.88Å; Y252-V298 PolarHBondContact OH-N 3.29Å; Y252-V298 PolarHBondContact OH-O 2.84Å; Y252-V298 VanDerWaalsContact OH-O 3.11Å
253K95.5Very high95.8Very high152 Ų15258 Ų5866%0.66131%0.308SS*.  trans57.838.3-176.6-51.4-56-173.6-160.90112.7F248 A249 T250F248-K253 PolarHBondContact O-N 3.46Å; F248-K253 VanDerWaalsContact O-N 3.1Å; A249-K253 WeakPolarHBondContact O-CA 3.47Å; T250-K253 WeakPolarHBondContact O-CE 3.36Å; T250-K253 PolarHBondContact O-NZ 3.14Å
254I95.1Very high95.6Very high2 Ų256.4 Ų56.41%0.0130%0.297CS..  trans-113134.6177.261.9178.6000110.8F248 A249 Y252 V256 F291 M292 K295 V297F248-I254 HydrophobicContact CB-CD1 3.95Å; F248-I254 HydrophobicContact CB-CG1 3.78Å; F248-I254 PolarHBondContact O-N 2.93Å; A249-I254 WeakPolarHBondContact CA-O 3.37Å; A249-I254 PolarHBondContact N-O 3.16Å; Y252-I254 VanDerWaalsContact C-N 3.28Å; Y252-I254 PolarHBondContact O-N 2.88Å; I254-V256 HydrophobicContact CD1-CG2 4.35Å; I254-V256 HydrophobicContact CG1-CG2 4.33Å; I254-V256 PolarHBondContact O-N 2.89Å; I254-F291 HydrophobicContact CD1-CD1 3.51Å; I254-F291 HydrophobicContact CD1-CE1 3.74Å; I254-M292 HydrophobicContact CB-SD 4.29Å; I254-M292 HydrophobicContact CD1-CB 4.4Å; I254-M292 HydrophobicContact CG2-CB 4.5Å; I254-K295 HydrophobicContact CG2-CD 3.75Å; I254-V297 HydrophobicContact CD1-CG1 3.56Å
255N94.6Very high95.6Very high93 Ų9359.4 Ų59.450%0.49731%0.309SS..  trans-97.788.6174.8-174.4-1.7000110.2R257 A258N255-R257 PolarHBondContact O-N 2.85Å; N255-R257 PolarHBondContact OD1-N 2.91Å; N255-A258 HydrophobicContact CB-CB 4.17Å; N255-A258 WeakPolarHBondContact O-CB 3.35Å; N255-A258 PolarHBondContact O-N 2.87Å; N255-A258 VanDerWaalsContact O-N 3.09Å; N255-A258 PolarHBondContact OD1-N 3.28Å
256V95.1Very high95.6Very high3 Ų359.2 Ų59.22%0.01831%0.306CS..G310 helixtrans-55.6-39.6-178.6-174.50000112A245 F248 I254 A258 N259 A262 S263 L266 F291A245-V256 HydrophobicContact CB-CB 4.27Å; A245-V256 HydrophobicContact CB-CG2 4.46Å; F248-V256 HydrophobicContact CB-CG2 4.35Å; F248-V256 HydrophobicContact CD2-CG2 4.23Å; I254-V256 HydrophobicContact CD1-CG2 4.35Å; I254-V256 HydrophobicContact CG1-CG2 4.33Å; I254-V256 PolarHBondContact O-N 2.89Å; V256-A258 PolarHBondContact O-N 3.32Å; V256-N259 CarbonylContact O-C 3.54Å; V256-N259 PolarHBondContact O-N 3.34Å; V256-A262 HydrophobicContact CG1-CB 4.1Å; V256-S263 PolarHBondContact O-OG 2.82Å; V256-L266 HydrophobicContact CG1-CB 4.33Å; V256-L266 HydrophobicContact CG1-CD2 3.96Å; V256-F291 HydrophobicContact CG1-CE1 4.25Å; V256-F291 HydrophobicContact CG1-CZ 3.76Å; V256-F291 HydrophobicContact CG2-CE1 3.6Å; V256-F291 HydrophobicContact CG2-CZ 3.98Å
257R91.5Very high95.5Very high132 Ų13256.9 Ų56.950%0.49829%0.293SS..G310 helixtrans-66.9-21.4-177.2-64.5-174.1177.8110.51.6113.1N242 N246 N255 N259N242-R257 PolarHBondContact OD1-NH2 2.75Å; N246-R257 PolarHBondContact OD1-NH1 2.98Å; N255-R257 PolarHBondContact O-N 2.85Å; N255-R257 PolarHBondContact OD1-N 2.91Å; R257-N259 VanDerWaalsContact C-N 3.28Å
258A92Very high95.5Very high72 Ų7256.7 Ų56.760%0.59529%0.292SS*.G310 helixtrans-78.8-11.7175.600000113.2N255 V256N255-A258 HydrophobicContact CB-CB 4.17Å; N255-A258 WeakPolarHBondContact O-CB 3.35Å; N255-A258 PolarHBondContact O-N 2.87Å; N255-A258 VanDerWaalsContact O-N 3.09Å; N255-A258 PolarHBondContact OD1-N 3.28Å; V256-A258 PolarHBondContact O-N 3.32Å
259N93.5Very high95.5Very high54 Ų5459.1 Ų59.129%0.28930%0.303SS..  trans-122.7105.6-178.6-175.6-33.1000110.3V256 R257 K261 A262 S263 M292V256-N259 CarbonylContact O-C 3.54Å; V256-N259 PolarHBondContact O-N 3.34Å; R257-N259 VanDerWaalsContact C-N 3.28Å; N259-K261 PolarHBondContact O-N 2.84Å; N259-K261 WeakPolarHBondContact OD1-CB 3.39Å; N259-K261 PolarHBondContact OD1-N 2.84Å; N259-A262 HydrophobicContact CB-CB 3.86Å; N259-A262 PolarHBondContact O-N 3.13Å; N259-A262 VanDerWaalsContact O-N 3.14Å; N259-A262 PolarHBondContact OD1-N 3.42Å; N259-A262 VanDerWaalsContact OD1-N 3.1Å; N259-S263 PolarHBondContact O-N 2.87Å; N259-S263 PolarHBondContact O-OG 2.85Å; N259-M292 HydrophobicContact CB-CE 3.98Å; N259-M292 HydrophobicContact CB-SD 4Å
260P93.5Very high95.5Very high65 Ų6557 Ų5742%0.42229%0.286SS..Hα-helixtrans-57.2-34.2-179.5-28.435.9000114.1L60 P88 S263 L264L60-P260 HydrophobicContact CD2-CB 3.88Å; P88-P260 HydrophobicContact CB-CB 4.46Å; P260-S263 PolarHBondContact O-N 3.23Å; P260-L264 PolarHBondContact O-N 3.33Å
261K94.2Very high95.6Very high99 Ų9953.5 Ų53.543%0.4326%0.263SS..Hα-helixtrans-69.7-43.6178.1-170.6179-177.2178.70111.1L57 L60 N259 S263 L264 R265L57-K261 HydrophobicContact CD2-CG 4.14Å; L57-K261 WeakPolarHBondContact O-CE 3.46Å; L60-K261 HydrophobicContact CD2-CB 4.03Å; N259-K261 PolarHBondContact O-N 2.84Å; N259-K261 WeakPolarHBondContact OD1-CB 3.39Å; N259-K261 PolarHBondContact OD1-N 2.84Å; K261-S263 VanDerWaalsContact C-N 3.33Å; K261-L264 PolarHBondContact O-N 3.42Å; K261-R265 WeakPolarHBondContact O-CG 3.44Å; K261-R265 PolarHBondContact O-N 2.82Å
262A95.6Very high95.6Very high2 Ų252.9 Ų52.92%0.01726%0.26CS..Hα-helixtrans-64-40.6174.500000111.3V256 N259 L264 R265 L266 F291 M292V256-A262 HydrophobicContact CG1-CB 4.1Å; N259-A262 HydrophobicContact CB-CB 3.86Å; N259-A262 PolarHBondContact O-N 3.13Å; N259-A262 VanDerWaalsContact O-N 3.14Å; N259-A262 PolarHBondContact OD1-N 3.42Å; N259-A262 VanDerWaalsContact OD1-N 3.1Å; A262-L264 PolarHBondContact O-N 3.32Å; A262-R265 PolarHBondContact O-N 3.05Å; A262-L266 WeakPolarHBondContact O-CB 3.28Å; A262-L266 PolarHBondContact O-N 3.33Å; A262-F291 HydrophobicContact CB-CE2 4.06Å; A262-F291 HydrophobicContact CB-CZ 3.99Å; A262-F291 VanDerWaalsContact O-CE2 3.25Å; A262-F291 WeakPolarHBondContact O-CE2 3.49Å; A262-F291 WeakPolarHBondContact O-CZ 3.38Å; A262-M292 HydrophobicContact CB-SD 4.26Å
263S95.7Very high95.7Very high40 Ų4050.6 Ų50.628%0.2825%0.251SS..Hα-helixtrans-60.2-45.1175.4-670000112.3V256 N259 P260 K261 L266 M267V256-S263 PolarHBondContact O-OG 2.82Å; N259-S263 PolarHBondContact O-N 2.87Å; N259-S263 PolarHBondContact O-OG 2.85Å; P260-S263 PolarHBondContact O-N 3.23Å; K261-S263 VanDerWaalsContact C-N 3.33Å; S263-L266 PolarHBondContact O-N 2.9Å; S263-M267 PolarHBondContact O-N 3.24Å
264L95.4Very high95.8Very high17 Ų1744.2 Ų44.29%0.08922%0.223CC..Hα-helixtrans-66.6-41.6176.9-17958.4000112.4V56 L57 L60 F65 P260 K261 A262 L266 M267 Q268V56-L264 HydrophobicContact CG1-CD2 4.02Å; V56-L264 HydrophobicContact CG2-CD2 3.84Å; L57-L264 HydrophobicContact CD2-CB 4.48Å; L57-L264 HydrophobicContact CD2-CD2 3.94Å; L57-L264 HydrophobicContact CD2-CG 4.2Å; L60-L264 HydrophobicContact CD1-CD2 3.49Å; L60-L264 VanDerWaalsContact CD1-CD2 3.49Å; F65-L264 HydrophobicContact CZ-CD1 4.2Å; F65-L264 HydrophobicContact CZ-CD2 4.44Å; P260-L264 PolarHBondContact O-N 3.33Å; K261-L264 PolarHBondContact O-N 3.42Å; A262-L264 PolarHBondContact O-N 3.32Å; L264-L266 VanDerWaalsContact C-N 3.32Å; L264-L266 PolarHBondContact O-N 2.69Å; L264-M267 WeakPolarHBondContact O-CB 3.47Å; L264-M267 PolarHBondContact O-N 2.87Å; L264-Q268 HydrophobicContact CD1-CG 4.46Å; L264-Q268 WeakPolarHBondContact O-CG 3.2Å; L264-Q268 PolarHBondContact O-N 2.84Å
265R96.3Very high95.9Very high65 Ų6550 Ų5025%0.24525%0.249CC..Hα-helixtrans-60.8-42.4175.4-72.7177.572.4-170.24.8111.5L57 K261 A262 M267 Q268 E269 D289 C290 F291L57-R265 HydrophobicContact CD1-CG 4.33Å; L57-R265 HydrophobicContact CD2-CG 3.86Å; K261-R265 WeakPolarHBondContact O-CG 3.44Å; K261-R265 PolarHBondContact O-N 2.82Å; A262-R265 PolarHBondContact O-N 3.05Å; R265-M267 VanDerWaalsContact C-N 3.34Å; R265-Q268 PolarHBondContact O-N 2.78Å; R265-E269 PolarHBondContact O-N 2.85Å; R265-E269 VanDerWaalsContact O-N 3.11Å; R265-D289 PolarHBondContact NH2-O 2.66Å; R265-C290 PolarHBondContact NH1-O 2.88Å; R265-F291 HydrophobicContact CB-CD2 4.44Å; R265-F291 HydrophobicContact CB-CE2 4.05Å; R265-F291 PolarHBondContact NH1-O 2.82Å
266L97.8Very high96Very high3 Ų348.9 Ų48.92%0.01624%0.24CC..Hα-helixtrans-63.1-41.6175.5-177.957.7000111.6C241 F244 A245 F248 V256 A262 S263 L264 E269 C270 L286 I288 F291C241-L266 HydrophobicContact CB-CD2 4.45Å; F244-L266 HydrophobicContact CB-CD1 4.07Å; F244-L266 HydrophobicContact CB-CD2 4.38Å; A245-L266 HydrophobicContact CB-CD2 4.16Å; F248-L266 HydrophobicContact CE2-CD1 3.97Å; V256-L266 HydrophobicContact CG1-CB 4.33Å; V256-L266 HydrophobicContact CG1-CD2 3.96Å; A262-L266 WeakPolarHBondContact O-CB 3.28Å; A262-L266 PolarHBondContact O-N 3.33Å; S263-L266 PolarHBondContact O-N 2.9Å; L264-L266 VanDerWaalsContact C-N 3.32Å; L264-L266 PolarHBondContact O-N 2.69Å; L266-E269 PolarHBondContact O-N 2.79Å; L266-C270 WeakPolarHBondContact O-CB 3.49Å; L266-C270 PolarHBondContact O-N 3.43Å; L266-C270 PolarHBondContact O-SG 3.17Å; L266-L286 HydrophobicContact CD1-CD1 4.34Å; L266-I288 HydrophobicContact CD1-CD1 4.11Å; L266-F291 HydrophobicContact CB-CE2 4.27Å; L266-F291 HydrophobicContact CB-CZ 3.97Å
267M96.4Very high96.1Very high37 Ų3748.8 Ų48.818%0.18224%0.24CC..Hα-helixtrans-57.7-49175.5-177.369.871.900112.1D237 M238 C241 S263 L264 R265 E269 C270 E271D237-M267 HydrophobicContact CB-SD 3.61Å; M238-M267 HydrophobicContact CG-CE 3.89Å; M238-M267 HydrophobicContact SD-CE 3.14Å; M238-M267 WeakPolarHBondContact SD-CE 3.4Å; M238-M267 HydrophobicContact SD-SD 4.48Å; C241-M267 VanDerWaalsContact SG-CA 3.57Å; S263-M267 PolarHBondContact O-N 3.24Å; L264-M267 WeakPolarHBondContact O-CB 3.47Å; L264-M267 PolarHBondContact O-N 2.87Å; R265-M267 VanDerWaalsContact C-N 3.34Å; M267-E269 VanDerWaalsContact C-N 3.35Å; M267-E269 PolarHBondContact O-N 3.23Å; M267-C270 PolarHBondContact O-N 3.21Å; M267-E271 PolarHBondContact O-N 3.41Å
268Q96.5Very high96.3Very high50 Ų5043.5 Ų43.523%0.23423%0.225CC..Hα-helixtrans-61.2-42.3179.8-71.1175-29.400112L264 R265 E271 K272L264-Q268 HydrophobicContact CD1-CG 4.46Å; L264-Q268 WeakPolarHBondContact O-CG 3.2Å; L264-Q268 PolarHBondContact O-N 2.84Å; R265-Q268 PolarHBondContact O-N 2.78Å; Q268-E271 PolarHBondContact O-N 3.29Å; Q268-K272 PolarHBondContact O-N 3.2Å; Q268-K272 VanDerWaalsContact O-N 3.1Å
269E97.9Very high96.5Very high50 Ų5044.4 Ų44.423%0.23423%0.232CC..Hα-helixtrans-72.5-32176.9-69.4-60.7133.300112.6R265 L266 M267 K272 L273 L286 I288R265-E269 PolarHBondContact O-N 2.85Å; R265-E269 VanDerWaalsContact O-N 3.11Å; L266-E269 PolarHBondContact O-N 2.79Å; M267-E269 VanDerWaalsContact C-N 3.35Å; M267-E269 PolarHBondContact O-N 3.23Å; E269-K272 PolarHBondContact O-N 2.9Å; E269-K272 IonicContact OE1-NZ 3.99Å; E269-K272 IonicContact OE2-NZ 3.32Å; E269-K272 PolarHBondContact OE2-NZ 3.29Å; E269-L273 VanDerWaalsContact O-CB 3.3Å; E269-L273 WeakPolarHBondContact O-CB 3.39Å; E269-L273 PolarHBondContact O-N 3.1Å; E269-L286 HydrophobicContact CB-CD1 4.43Å; E269-I288 HydrophobicContact CB-CD1 3.94Å; E269-I288 HydrophobicContact CB-CG1 4.32Å; E269-I288 HydrophobicContact CG-CD1 3.88Å; E269-I288 HydrophobicContact CG-CG1 3.97Å
270C98.5Very high96.7Very high0 Ų044.7 Ų44.70%023%0.233CC..Hα-helixtrans-65.7-41.2172.1-71.60000111.9L240 L266 M267 L273 K274L240-C270 HydrophobicContact CB-CB 3.89Å; L240-C270 HydrophobicContact CD1-CB 4.3Å; L266-C270 WeakPolarHBondContact O-CB 3.49Å; L266-C270 PolarHBondContact O-N 3.43Å; L266-C270 PolarHBondContact O-SG 3.17Å; M267-C270 PolarHBondContact O-N 3.21Å; C270-L273 PolarHBondContact O-N 3.43Å; C270-K274 WeakPolarHBondContact O-CB 3.43Å; C270-K274 PolarHBondContact O-N 2.93Å
271E97.7Very high96.8Very high25 Ų2544.6 Ų44.612%0.11723%0.233CC..Hα-helixtrans-61.8-44.7175.3-173.3-168.7169.900111.4Q11 D237 M267 Q268 K274 K275Q11-E271 PolarHBondContact NE2-OE1 2.96Å; Q11-E271 PolarHBondContact NE2-OE2 3.36Å; Q11-E271 VanDerWaalsContact NE2-OE2 3.16Å; D237-E271 WeakPolarHBondContact OD1-CA 3.42Å; M267-E271 PolarHBondContact O-N 3.41Å; Q268-E271 PolarHBondContact O-N 3.29Å; E271-K274 PolarHBondContact O-N 3.45Å; E271-K275 HydrophobicContact CG-CD 4.37Å; E271-K275 WeakPolarHBondContact O-CG 3.48Å; E271-K275 PolarHBondContact O-N 2.78Å; E271-K275 WeakPolarHBondContact OE1-CE 3.34Å; E271-K275 IonicContact OE1-NZ 3.61Å; E271-K275 PolarHBondContact OE1-NZ 3.2Å
272K97.7Very high96.9Very high100 Ų10044.9 Ų44.944%0.43524%0.239SC..Hα-helixtrans-61.9-46.1175.1177.4179.1159.7-1550111.6Q268 E269 K274 K275 Q276Q268-K272 PolarHBondContact O-N 3.2Å; Q268-K272 VanDerWaalsContact O-N 3.1Å; E269-K272 PolarHBondContact O-N 2.9Å; E269-K272 IonicContact OE1-NZ 3.99Å; E269-K272 IonicContact OE2-NZ 3.32Å; E269-K272 PolarHBondContact OE2-NZ 3.29Å; K272-K274 PolarHBondContact O-N 2.87Å; K272-K275 PolarHBondContact O-N 3.2Å; K272-Q276 WeakPolarHBondContact O-CG 3.49Å; K272-Q276 PolarHBondContact O-N 2.94Å
273L98.2Very high97Very high2 Ų252 Ų521%0.0127%0.27CS..Hα-helixtrans-60.1-44.9176.3-176.270.5000111.3F244 E269 C270 K275 Q276 M277 M284 L286 M301F244-L273 HydrophobicContact CE2-CD2 3.6Å; F244-L273 HydrophobicContact CZ-CD2 3.68Å; E269-L273 VanDerWaalsContact O-CB 3.3Å; E269-L273 WeakPolarHBondContact O-CB 3.39Å; E269-L273 PolarHBondContact O-N 3.1Å; C270-L273 PolarHBondContact O-N 3.43Å; L273-K275 PolarHBondContact O-N 2.95Å; L273-Q276 WeakPolarHBondContact O-CB 3.23Å; L273-Q276 PolarHBondContact O-N 3.29Å; L273-M277 HydrophobicContact CD2-CE 4.31Å; L273-M277 HydrophobicContact CG-CE 4.03Å; L273-M277 HydrophobicContact CG-SD 4.4Å; L273-M277 WeakPolarHBondContact O-CG 3.27Å; L273-M277 PolarHBondContact O-N 3.48Å; L273-M284 HydrophobicContact CD1-CB 3.49Å; L273-M284 VanDerWaalsContact CD1-CB 3.49Å; L273-L286 HydrophobicContact CD2-CB 4.24Å; L273-L286 HydrophobicContact CD2-CD1 4.12Å; L273-M301 HydrophobicContact CD2-CB 4.42Å
274K97.9Very high97Very high17 Ų1751.9 Ų51.97%0.07427%0.265CS..Hα-helixtrans-57.2-47.7175178.6-169.871.4-1600111.4G233 F236 D237 L240 C270 E271 K272 Q276 M277 A278 F306 L347G233-K274 PolarHBondContact O-NZ 3.36Å; F236-K274 HydrophobicContact CB-CD 3.86Å; D237-K274 WeakPolarHBondContact OD1-CD 3.06Å; D237-K274 WeakPolarHBondContact OD1-CE 3.16Å; D237-K274 IonicContact OD1-NZ 2.71Å; D237-K274 PolarHBondContact OD1-NZ 2.78Å; D237-K274 IonicContact OD2-NZ 3.5Å; D237-K274 PolarHBondContact OD2-NZ 2.92Å; L240-K274 HydrophobicContact CD1-CB 4.02Å; C270-K274 WeakPolarHBondContact O-CB 3.43Å; C270-K274 PolarHBondContact O-N 2.93Å; E271-K274 PolarHBondContact O-N 3.45Å; K272-K274 PolarHBondContact O-N 2.87Å; K274-Q276 VanDerWaalsContact C-N 3.33Å; K274-Q276 PolarHBondContact O-N 3.45Å; K274-M277 PolarHBondContact O-N 3Å; K274-A278 PolarHBondContact O-N 3.31Å; K274-F306 HydrophobicContact CD-CZ 4.32Å; K274-F306 HydrophobicContact CG-CE1 4.41Å; K274-F306 HydrophobicContact CG-CZ 3.94Å; K274-L347 HydrophobicContact CD-CD2 4.42Å; K274-L347 HydrophobicContact CG-CD2 4.02Å
275K97.4Very high97.1Very high125 Ų12555.3 Ų55.354%0.54329%0.288SS..Hα-helixtrans-60.6-41.9178-75167.8170.7169.30111.6E271 K272 L273 A278 A279E271-K275 HydrophobicContact CG-CD 4.37Å; E271-K275 WeakPolarHBondContact O-CG 3.48Å; E271-K275 PolarHBondContact O-N 2.78Å; E271-K275 WeakPolarHBondContact OE1-CE 3.34Å; E271-K275 IonicContact OE1-NZ 3.61Å; E271-K275 PolarHBondContact OE1-NZ 3.2Å; K272-K275 PolarHBondContact O-N 3.2Å; L273-K275 PolarHBondContact O-N 2.95Å; K275-A278 WeakPolarHBondContact O-CB 3.4Å; K275-A278 PolarHBondContact O-N 2.94Å; K275-A279 PolarHBondContact O-N 2.94Å
276Q97.6Very high97.2Very high68 Ų6852.3 Ų52.332%0.31828%0.277SS..Hα-helixtrans-64.2-47.9175.4-73.6175-20.300112.1K272 L273 K274 A278 A279 D280 M284K272-Q276 WeakPolarHBondContact O-CG 3.49Å; K272-Q276 PolarHBondContact O-N 2.94Å; L273-Q276 WeakPolarHBondContact O-CB 3.23Å; L273-Q276 PolarHBondContact O-N 3.29Å; K274-Q276 VanDerWaalsContact C-N 3.33Å; K274-Q276 PolarHBondContact O-N 3.45Å; Q276-A278 PolarHBondContact O-N 3.36Å; Q276-A279 PolarHBondContact O-N 3.46Å; Q276-D280 PolarHBondContact O-N 3.47Å; Q276-M284 HydrophobicContact CB-CE 3.87Å; Q276-M284 HydrophobicContact CB-CG 4.19Å; Q276-M284 HydrophobicContact CG-CE 4.19Å
277M97.2Very high97.1Very high1 Ų154.6 Ų54.61%0.00530%0.297CS..Hα-helixtrans-64.2-27.3177.3-70.6-172.2-60.400113L240 L273 K274 A279 D280 M284 M301 R303 F306L240-M277 HydrophobicContact CD1-CE 4.06Å; L240-M277 HydrophobicContact CD2-CE 4.18Å; L273-M277 HydrophobicContact CD2-CE 4.31Å; L273-M277 HydrophobicContact CG-CE 4.03Å; L273-M277 HydrophobicContact CG-SD 4.4Å; L273-M277 WeakPolarHBondContact O-CG 3.27Å; L273-M277 PolarHBondContact O-N 3.48Å; K274-M277 PolarHBondContact O-N 3Å; M277-A279 VanDerWaalsContact C-N 3.28Å; M277-A279 PolarHBondContact O-N 3.27Å; M277-D280 CarbonylContact C-O 3.59Å; M277-D280 WeakPolarHBondContact CA-O 3.39Å; M277-M284 HydrophobicContact CG-CB 4.21Å; M277-M284 HydrophobicContact CG-CG 4.08Å; M277-M301 HydrophobicContact SD-CB 3.97Å; M277-M301 HydrophobicContact SD-CG 4.14Å; M277-M301 VanDerWaalsContact SD-O 3.36Å; M277-R303 HydrophobicContact CB-CB 4.4Å; M277-R303 VanDerWaalsContact O-CD 3.27Å; M277-R303 WeakPolarHBondContact O-CD 3.27Å; M277-F306 HydrophobicContact CE-CB 3.68Å; M277-F306 HydrophobicContact CE-CD1 4.11Å; M277-F306 HydrophobicContact CE-CD2 3.96Å; M277-F306 HydrophobicContact CE-CG 3.63Å; M277-F306 HydrophobicContact SD-CB 3.97Å; M277-F306 HydrophobicContact SD-CG 4.5Å
278A95.5Very high97.2Very high22 Ų2253.3 Ų53.318%0.18229%0.29CS..Hα-helixtrans-64.9-35.3173.500000111.8K274 K275 Q276 L347 P348K274-A278 PolarHBondContact O-N 3.31Å; K275-A278 WeakPolarHBondContact O-CB 3.4Å; K275-A278 PolarHBondContact O-N 2.94Å; Q276-A278 PolarHBondContact O-N 3.36Å; A278-L347 HydrophobicContact CB-CD2 4.23Å; A278-P348 VanDerWaalsContact O-CG 3.29Å; A278-P348 WeakPolarHBondContact O-CG 3.23Å
279A95.7Very high97.1Very high90 Ų9056 Ų5674%0.74431%0.307SS*.Hα-helixtrans-85.9-36.6178.700000113.2K275 Q276 M277K275-A279 PolarHBondContact O-N 2.94Å; Q276-A279 PolarHBondContact O-N 3.46Å; M277-A279 VanDerWaalsContact C-N 3.28Å; M277-A279 PolarHBondContact O-N 3.27Å
280D96.8Very high96.8Very high60 Ų6057.5 Ų57.532%0.32132%0.321SS..  trans-124121.9-176.3-168.4-26.9000111.2Q276 M277 N282 M284Q276-D280 PolarHBondContact O-N 3.47Å; M277-D280 CarbonylContact C-O 3.59Å; M277-D280 WeakPolarHBondContact CA-O 3.39Å; D280-N282 PolarHBondContact O-N 3.21Å; D280-N282 VanDerWaalsContact OD1-CB 3.25Å; D280-N282 WeakPolarHBondContact OD1-CB 3.13Å; D280-N282 PolarHBondContact OD1-N 3.19Å; D280-N282 PolarHBondContact OD1-ND2 3.31Å; D280-M284 HydrophobicContact CB-SD 4.32Å
281P96.3Very high96.6Very high63 Ų6357.9 Ų57.941%0.40932%0.323SS..  trans-68.2-19178.227.7-35.3000115R303P281-R303 PolarHBondContact O-N 3.43Å
282N97.2Very high96.3Very high105 Ų10558 Ų5856%0.56132%0.324SS*.SBendtrans-70.1170.5-173.4-64.3-56.7000112.1D280 M284D280-N282 PolarHBondContact O-N 3.21Å; D280-N282 VanDerWaalsContact OD1-CB 3.25Å; D280-N282 WeakPolarHBondContact OD1-CB 3.13Å; D280-N282 PolarHBondContact OD1-N 3.19Å; D280-N282 PolarHBondContact OD1-ND2 3.31Å; N282-M284 PolarHBondContact O-N 3.06Å
283K97.4Very high95.9Very high153 Ų15358.3 Ų58.367%0.66533%0.33SS*.PPolyproline II helixtrans-67.1116.5176.6-174.9176.3-179.2176.20109.8G300 K302K283-G300 WeakPolarHBondContact CE-O 3.22Å; K283-K302 HydrophobicContact CB-CB 4.13Å
284M96.4Very high95.6Very high36 Ų3665.3 Ų65.318%0.17737%0.368CS..EExtended strand (participates in β ladder)trans-97.9137.6176.4-64.3-54.9-7100110.4L273 Q276 M277 D280 N282 G300 M301L273-M284 HydrophobicContact CD1-CB 3.49Å; L273-M284 VanDerWaalsContact CD1-CB 3.49Å; Q276-M284 HydrophobicContact CB-CE 3.87Å; Q276-M284 HydrophobicContact CB-CG 4.19Å; Q276-M284 HydrophobicContact CG-CE 4.19Å; M277-M284 HydrophobicContact CG-CB 4.21Å; M277-M284 HydrophobicContact CG-CG 4.08Å; D280-M284 HydrophobicContact CB-SD 4.32Å; N282-M284 PolarHBondContact O-N 3.06Å; M284-G300 CarbonylContact O-C 3.53Å; M284-G300 WeakPolarHBondContact O-CA 3.37Å; M284-M301 PolarHBondContact N-O 3.09Å; M284-M301 PolarHBondContact O-N 3.03Å; M284-M301 VanDerWaalsContact O-N 3.08Å
285P96.8Very high95.4Very high89 Ų8968.3 Ų68.358%0.57838%0.381SS*.EExtended strand (participates in β ladder)trans-77.1146.8178.932-34.3000111.3
286L97.9Very high95.3Very high2 Ų266.4 Ų66.41%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-117.4120.9163.5178.2152000107.1F244 F248 L266 E269 L273 I288 V298 S299F244-L286 HydrophobicContact CD2-CD1 3.72Å; F244-L286 HydrophobicContact CE2-CD1 3.65Å; F244-L286 HydrophobicContact CG-CD1 4.33Å; F244-L286 HydrophobicContact CZ-CD1 4.23Å; F248-L286 HydrophobicContact CE2-CD2 4.29Å; F248-L286 HydrophobicContact CZ-CD2 3.69Å; L266-L286 HydrophobicContact CD1-CD1 4.34Å; E269-L286 HydrophobicContact CB-CD1 4.43Å; L273-L286 HydrophobicContact CD2-CB 4.24Å; L273-L286 HydrophobicContact CD2-CD1 4.12Å; L286-I288 HydrophobicContact CD2-CD1 4.24Å; L286-I288 HydrophobicContact CD2-CG1 4.06Å; L286-V298 CarbonylContact O-C 3.6Å; L286-V298 VanDerWaalsContact O-CA 3.3Å; L286-V298 WeakPolarHBondContact O-CA 3.28Å; L286-S299 PolarHBondContact N-O 2.86Å; L286-S299 PolarHBondContact O-N 2.82Å; L286-S299 VanDerWaalsContact O-O 3.13Å
287A96.5Very high95.3Very high52 Ų5263.2 Ų63.243%0.4336%0.362SS..EExtended strand (participates in β ladder)trans-136.7130.7178.900000109.2V297 V298A287-V297 CarbonylContact C-O 3.59Å; A287-V297 VanDerWaalsContact CA-O 3.32Å; A287-V297 WeakPolarHBondContact CA-O 3.45Å; A287-V298 HydrophobicContact CB-CG2 4.24Å
288I97.2Very high95.3Very high9 Ų966.6 Ų66.65%0.04638%0.382CS..EExtended strand (participates in β ladder)trans-133.8113.4178.2-38.1-175.9000108.7L266 E269 L286 F291 D296 V297L266-I288 HydrophobicContact CD1-CD1 4.11Å; E269-I288 HydrophobicContact CB-CD1 3.94Å; E269-I288 HydrophobicContact CB-CG1 4.32Å; E269-I288 HydrophobicContact CG-CD1 3.88Å; E269-I288 HydrophobicContact CG-CG1 3.97Å; L286-I288 HydrophobicContact CD2-CD1 4.24Å; L286-I288 HydrophobicContact CD2-CG1 4.06Å; I288-F291 HydrophobicContact CB-CB 4.11Å; I288-F291 HydrophobicContact CB-CD2 3.97Å; I288-F291 HydrophobicContact CB-CG 4.17Å; I288-F291 HydrophobicContact CD1-CD2 3.97Å; I288-F291 HydrophobicContact CD1-CE2 3.87Å; I288-F291 HydrophobicContact CD1-CZ 4.44Å; I288-F291 HydrophobicContact CG2-CB 4.09Å; I288-F291 HydrophobicContact CG2-CD2 3.57Å; I288-F291 HydrophobicContact CG2-CE2 4.38Å; I288-F291 HydrophobicContact CG2-CG 4.14Å; I288-D296 WeakPolarHBondContact O-CA 3.39Å; I288-V297 HydrophobicContact CB-CG2 3.79Å; I288-V297 HydrophobicContact CD1-CG2 4.34Å; I288-V297 HydrophobicContact CG1-CG2 3.99Å; I288-V297 PolarHBondContact N-O 3.42Å; I288-V297 PolarHBondContact O-N 3.07Å
289D95.4Very high95.4Very high108 Ų10866.6 Ų66.658%0.57838%0.381SS*.EExtended strand (participates in β ladder)trans-81147-179-53.3-30000111.1R265 F291 D296R265-D289 PolarHBondContact NH2-O 2.66Å; D289-F291 PolarHBondContact O-N 3.05Å; D289-F291 VanDerWaalsContact O-N 3.12Å; D289-D296 WeakPolarHBondContact CA-OD1 3.24Å
290C92.3Very high95.5Very high81 Ų8162.9 Ų62.955%0.54735%0.352SS..EExtended strand (participates in β ladder)trans42.548.8-176.9-55.10000111.1R265 D296R265-C290 PolarHBondContact NH1-O 2.88Å; C290-D296 PolarHBondContact N-OD1 2.92Å
291F93.6Very high95.5Very high7 Ų761 Ų613%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-70.2-49.4-165.4177-126.5000111.8F248 I254 V256 A262 R265 L266 I288 D289 K295 V297F248-F291 AromaticContact CD2-CE1 3.95Å; F248-F291 HydrophobicContact CD2-CE1 3.95Å; F248-F291 HydrophobicContact CE2-CE1 4.3Å; I254-F291 HydrophobicContact CD1-CD1 3.51Å; I254-F291 HydrophobicContact CD1-CE1 3.74Å; V256-F291 HydrophobicContact CG1-CE1 4.25Å; V256-F291 HydrophobicContact CG1-CZ 3.76Å; V256-F291 HydrophobicContact CG2-CE1 3.6Å; V256-F291 HydrophobicContact CG2-CZ 3.98Å; A262-F291 HydrophobicContact CB-CE2 4.06Å; A262-F291 HydrophobicContact CB-CZ 3.99Å; A262-F291 VanDerWaalsContact O-CE2 3.25Å; A262-F291 WeakPolarHBondContact O-CE2 3.49Å; A262-F291 WeakPolarHBondContact O-CZ 3.38Å; R265-F291 HydrophobicContact CB-CD2 4.44Å; R265-F291 HydrophobicContact CB-CE2 4.05Å; R265-F291 PolarHBondContact NH1-O 2.82Å; L266-F291 HydrophobicContact CB-CE2 4.27Å; L266-F291 HydrophobicContact CB-CZ 3.97Å; I288-F291 HydrophobicContact CB-CB 4.11Å; I288-F291 HydrophobicContact CB-CD2 3.97Å; I288-F291 HydrophobicContact CB-CG 4.17Å; I288-F291 HydrophobicContact CD1-CD2 3.97Å; I288-F291 HydrophobicContact CD1-CE2 3.87Å; I288-F291 HydrophobicContact CD1-CZ 4.44Å; I288-F291 HydrophobicContact CG2-CB 4.09Å; I288-F291 HydrophobicContact CG2-CD2 3.57Å; I288-F291 HydrophobicContact CG2-CE2 4.38Å; I288-F291 HydrophobicContact CG2-CG 4.14Å; D289-F291 PolarHBondContact O-N 3.05Å; D289-F291 VanDerWaalsContact O-N 3.12Å; F291-K295 WeakPolarHBondContact CB-O 3.38Å; F291-K295 PolarHBondContact N-O 3.15Å; F291-V297 HydrophobicContact CB-CG1 4.37Å; F291-V297 HydrophobicContact CB-CG2 3.92Å; F291-V297 HydrophobicContact CD1-CB 4.32Å; F291-V297 HydrophobicContact CD1-CG1 3.73Å; F291-V297 HydrophobicContact CD1-CG2 3.57Å; F291-V297 HydrophobicContact CE1-CG2 4.21Å; F291-V297 HydrophobicContact CG-CG1 4.45Å; F291-V297 HydrophobicContact CG-CG2 3.79Å
292M91.8Very high95.6Very high29 Ų2962.2 Ų62.214%0.14334%0.34CS..EExtended strand (participates in β ladder)trans-158.6137.9177.6-174169.2173.300109.1I254 N259 A262 D294 K295I254-M292 HydrophobicContact CB-SD 4.29Å; I254-M292 HydrophobicContact CD1-CB 4.4Å; I254-M292 HydrophobicContact CG2-CB 4.5Å; N259-M292 HydrophobicContact CB-CE 3.98Å; N259-M292 HydrophobicContact CB-SD 4Å; A262-M292 HydrophobicContact CB-SD 4.26Å; M292-D294 VanDerWaalsContact C-N 3.25Å; M292-D294 PolarHBondContact O-N 2.71Å; M292-K295 WeakPolarHBondContact O-CB 3.36Å; M292-K295 PolarHBondContact O-N 3.41Å
293D89.2Confident95.6Very high105 Ų10560.2 Ų60.256%0.56133%0.325SS*.THydrogen-bonded Turntrans52.940.4-178.5-46.5-33.4000113.3K295D293-K295 PolarHBondContact O-N 3.28Å
294D90.5Very high95.7Very high150 Ų15055.6 Ų55.680%0.80231%0.312SS*.THydrogen-bonded Turntrans57.517.8-176.1-55-46.2000115.1M292M292-D294 VanDerWaalsContact C-N 3.25Å; M292-D294 PolarHBondContact O-N 2.71Å
295K93.7Very high95.8Very high80 Ų8057 Ų5735%0.34832%0.319SS..EExtended strand (participates in β ladder)trans-94.6133.2176.2-65.2170-178.7170.40111.4Y252 I254 F291 M292 D293Y252-K295 PolarHBondContact O-NZ 3.33Å; I254-K295 HydrophobicContact CG2-CD 3.75Å; F291-K295 WeakPolarHBondContact CB-O 3.38Å; F291-K295 PolarHBondContact N-O 3.15Å; M292-K295 WeakPolarHBondContact O-CB 3.36Å; M292-K295 PolarHBondContact O-N 3.41Å; D293-K295 PolarHBondContact O-N 3.28Å
296D96.5Very high95.8Very high85 Ų8552.9 Ų52.946%0.45529%0.293SS..EExtended strand (participates in β ladder)trans-80.3143.7165.2-54.5-26.3000109.7Y252 I288 D289 C290Y252-D296 WeakPolarHBondContact CE1-O 3.36Å; I288-D296 WeakPolarHBondContact O-CA 3.39Å; D289-D296 WeakPolarHBondContact CA-OD1 3.24Å; C290-D296 PolarHBondContact N-OD1 2.92Å
297V97.7Very high95.8Very high0 Ų054.9 Ų54.90%030%0.302CS..EExtended strand (participates in β ladder)trans-121.2137.1174.3-620000110.7F248 Y252 I254 A287 I288 F291F248-V297 HydrophobicContact CD1-CB 4.22Å; F248-V297 HydrophobicContact CD1-CG1 4.4Å; F248-V297 HydrophobicContact CD2-CB 4.23Å; F248-V297 HydrophobicContact CD2-CG1 4.23Å; F248-V297 HydrophobicContact CD2-CG2 4.14Å; F248-V297 HydrophobicContact CE1-CB 3.94Å; F248-V297 HydrophobicContact CE1-CG2 4.37Å; F248-V297 HydrophobicContact CE2-CB 3.94Å; F248-V297 HydrophobicContact CE2-CG1 4.42Å; F248-V297 HydrophobicContact CE2-CG2 3.57Å; F248-V297 HydrophobicContact CG-CB 4.37Å; F248-V297 HydrophobicContact CG-CG1 4.21Å; F248-V297 HydrophobicContact CZ-CB 3.77Å; F248-V297 HydrophobicContact CZ-CG2 3.69Å; Y252-V297 HydrophobicContact CD1-CG1 4.43Å; Y252-V297 HydrophobicContact CD2-CB 4.05Å; Y252-V297 HydrophobicContact CD2-CG1 3.55Å; Y252-V297 HydrophobicContact CE2-CB 3.81Å; Y252-V297 HydrophobicContact CE2-CG1 3.85Å; Y252-V297 HydrophobicContact CG-CG1 3.88Å; I254-V297 HydrophobicContact CD1-CG1 3.56Å; A287-V297 CarbonylContact C-O 3.59Å; A287-V297 VanDerWaalsContact CA-O 3.32Å; A287-V297 WeakPolarHBondContact CA-O 3.45Å; I288-V297 HydrophobicContact CB-CG2 3.79Å; I288-V297 HydrophobicContact CD1-CG2 4.34Å; I288-V297 HydrophobicContact CG1-CG2 3.99Å; I288-V297 PolarHBondContact N-O 3.42Å; I288-V297 PolarHBondContact O-N 3.07Å; F291-V297 HydrophobicContact CB-CG1 4.37Å; F291-V297 HydrophobicContact CB-CG2 3.92Å; F291-V297 HydrophobicContact CD1-CB 4.32Å; F291-V297 HydrophobicContact CD1-CG1 3.73Å; F291-V297 HydrophobicContact CD1-CG2 3.57Å; F291-V297 HydrophobicContact CE1-CG2 4.21Å; F291-V297 HydrophobicContact CG-CG1 4.45Å; F291-V297 HydrophobicContact CG-CG2 3.79Å
298V97.3Very high95.9Very high73 Ų7359.3 Ų59.344%0.44231%0.314SS..EExtended strand (participates in β ladder)trans-134.4131178-1770000109.4K251 Y252 L286 A287K251-V298 PolarHBondContact NZ-O 2.76Å; Y252-V298 PolarHBondContact OH-N 3.29Å; Y252-V298 PolarHBondContact OH-O 2.84Å; Y252-V298 VanDerWaalsContact OH-O 3.11Å; L286-V298 CarbonylContact O-C 3.6Å; L286-V298 VanDerWaalsContact O-CA 3.3Å; L286-V298 WeakPolarHBondContact O-CA 3.28Å; A287-V298 HydrophobicContact CB-CG2 4.24Å
299S97.4Very high96Very high21 Ų2161.8 Ų61.815%0.14733%0.327CS..EExtended strand (participates in β ladder)trans-149.2-160.1169.3-169.40000109F244 E247 L286F244-S299 VanDerWaalsContact CE1-OG 3.31Å; F244-S299 WeakPolarHBondContact CE1-OG 3.16Å; E247-S299 VanDerWaalsContact CD-OG 3.29Å; E247-S299 PolarHBondContact OE1-OG 2.99Å; E247-S299 WeakPolarHBondContact OE2-CB 3.45Å; E247-S299 PolarHBondContact OE2-OG 3.46Å; L286-S299 PolarHBondContact N-O 2.86Å; L286-S299 PolarHBondContact O-N 2.82Å; L286-S299 VanDerWaalsContact O-O 3.13Å
300G96.8Very high96.1Very high13 Ų1356.7 Ų56.713%0.13430%0.3CS..EExtended strand (participates in β ladder)trans170.5155.6174.300000111.5K283 M284K283-G300 WeakPolarHBondContact CE-O 3.22Å; M284-G300 CarbonylContact O-C 3.53Å; M284-G300 WeakPolarHBondContact O-CA 3.37Å
301M98.3Very high96.4Very high20 Ų2055.8 Ų55.810%0.09929%0.294CS..EExtended strand (participates in β ladder)trans-138.8145.1-176.1-170.6170-72.200109.5L240 V243 F244 L273 M277 M284 D305 F306 L309L240-M301 HydrophobicContact CD2-CE 4.05Å; L240-M301 HydrophobicContact CD2-SD 3.44Å; L240-M301 WeakPolarHBondContact CD2-SD 3.4Å; V243-M301 HydrophobicContact CG1-CE 4.14Å; F244-M301 HydrophobicContact CZ-CB 4.19Å; F244-M301 HydrophobicContact CZ-CE 4.27Å; L273-M301 HydrophobicContact CD2-CB 4.42Å; M277-M301 HydrophobicContact SD-CB 3.97Å; M277-M301 HydrophobicContact SD-CG 4.14Å; M277-M301 VanDerWaalsContact SD-O 3.36Å; M284-M301 PolarHBondContact N-O 3.09Å; M284-M301 PolarHBondContact O-N 3.03Å; M284-M301 VanDerWaalsContact O-N 3.08Å; M301-D305 HydrophobicContact CG-CB 3.99Å; M301-F306 HydrophobicContact CG-CB 4.22Å; M301-F306 VanDerWaalsContact SD-CA 3.59Å; M301-F306 HydrophobicContact SD-CB 3.69Å; M301-L309 HydrophobicContact CE-CD2 4.22Å; M301-L309 HydrophobicContact SD-CD2 4.31Å
302K97.7Very high96.7Very high88 Ų8863.8 Ų63.838%0.38333%0.329SS..  trans-95156.616957172.9-179.1165.50109.7K283 S304 D305 F306K283-K302 HydrophobicContact CB-CB 4.13Å; K302-S304 VanDerWaalsContact C-N 3.27Å; K302-S304 WeakPolarHBondContact CD-OG 3.45Å; K302-S304 WeakPolarHBondContact CE-OG 3.26Å; K302-S304 PolarHBondContact NZ-OG 3.2Å; K302-S304 PolarHBondContact O-N 2.59Å; K302-D305 WeakPolarHBondContact CE-OD1 3.49Å; K302-D305 WeakPolarHBondContact CE-OD2 3.11Å; K302-D305 HydrophobicContact CG-CB 4.3Å; K302-D305 WeakPolarHBondContact CG-OD2 3.46Å; K302-D305 IonicContact NZ-OD1 3.63Å; K302-D305 PolarHBondContact O-N 3.15Å; K302-D305 VanDerWaalsContact O-N 3.13Å; K302-F306 PolarHBondContact O-N 2.77Å
303R98Very high97Very high64 Ų6463.4 Ų63.424%0.24233%0.327CS..Hα-helixtrans-55.3-39.3-175.3-175.917669.8-156.94113.4M277 P281 D305 F306 E307M277-R303 HydrophobicContact CB-CB 4.4Å; M277-R303 VanDerWaalsContact O-CD 3.27Å; M277-R303 WeakPolarHBondContact O-CD 3.27Å; P281-R303 PolarHBondContact O-N 3.43Å; R303-D305 VanDerWaalsContact C-N 3.33Å; R303-D305 PolarHBondContact O-N 2.86Å; R303-F306 PolarHBondContact O-N 2.64Å; R303-E307 WeakPolarHBondContact CD-OE1 3.39Å; R303-E307 HydrophobicContact CG-CG 4.18Å; R303-E307 WeakPolarHBondContact CG-OE1 3.4Å; R303-E307 IonicContact NE-OE1 3.56Å; R303-E307 WeakPolarHBondContact O-CB 3.46Å; R303-E307 WeakPolarHBondContact O-CG 3.28Å; R303-E307 PolarHBondContact O-N 3.18Å
304S97.9Very high97.4Very high56 Ų5658.9 Ų58.939%0.39230%0.303SS..Hα-helixtrans-61.3-40.5-179640000113K302 E307 E308K302-S304 VanDerWaalsContact C-N 3.27Å; K302-S304 WeakPolarHBondContact CD-OG 3.45Å; K302-S304 WeakPolarHBondContact CE-OG 3.26Å; K302-S304 PolarHBondContact NZ-OG 3.2Å; K302-S304 PolarHBondContact O-N 2.59Å; S304-E307 PolarHBondContact O-N 3.19Å; S304-E308 PolarHBondContact O-N 2.97Å
305D98.2Very high97.8Very high64 Ų6455.5 Ų55.534%0.34229%0.287SS..Hα-helixtrans-73-37-178.7-59-16.5000110.2M301 K302 R303 E307 E308 L309M301-D305 HydrophobicContact CG-CB 3.99Å; K302-D305 WeakPolarHBondContact CE-OD1 3.49Å; K302-D305 WeakPolarHBondContact CE-OD2 3.11Å; K302-D305 HydrophobicContact CG-CB 4.3Å; K302-D305 WeakPolarHBondContact CG-OD2 3.46Å; K302-D305 IonicContact NZ-OD1 3.63Å; K302-D305 PolarHBondContact O-N 3.15Å; K302-D305 VanDerWaalsContact O-N 3.13Å; R303-D305 VanDerWaalsContact C-N 3.33Å; R303-D305 PolarHBondContact O-N 2.86Å; D305-E307 VanDerWaalsContact C-N 3.34Å; D305-E308 PolarHBondContact O-N 3.41Å; D305-L309 VanDerWaalsContact O-CB 3.28Å; D305-L309 WeakPolarHBondContact O-CB 3.3Å; D305-L309 PolarHBondContact O-N 2.87Å
306F98.5Very high98.1Very high4 Ų454.7 Ų54.72%0.01828%0.284CS..Hα-helixtrans-62.2-41.8171.5167.3-109.1000111.9F236 L240 K274 M277 M301 K302 R303 L309 C310 L347F236-F306 HydrophobicContact CB-CE2 4.21Å; F236-F306 HydrophobicContact CB-CZ 3.91Å; F236-F306 HydrophobicContact CD1-CE2 4.45Å; F236-F306 AromaticContact CD1-CZ 3.82Å; F236-F306 HydrophobicContact CD1-CZ 3.82Å; F236-F306 HydrophobicContact CG-CZ 4.25Å; L240-F306 HydrophobicContact CD1-CD2 4.04Å; L240-F306 HydrophobicContact CD1-CE2 3.93Å; L240-F306 HydrophobicContact CD2-CD2 3.66Å; L240-F306 HydrophobicContact CD2-CE2 4.29Å; L240-F306 HydrophobicContact CG-CD2 3.81Å; L240-F306 HydrophobicContact CG-CE2 3.92Å; K274-F306 HydrophobicContact CD-CZ 4.32Å; K274-F306 HydrophobicContact CG-CE1 4.41Å; K274-F306 HydrophobicContact CG-CZ 3.94Å; M277-F306 HydrophobicContact CE-CB 3.68Å; M277-F306 HydrophobicContact CE-CD1 4.11Å; M277-F306 HydrophobicContact CE-CD2 3.96Å; M277-F306 HydrophobicContact CE-CG 3.63Å; M277-F306 HydrophobicContact SD-CB 3.97Å; M277-F306 HydrophobicContact SD-CG 4.5Å; M301-F306 HydrophobicContact CG-CB 4.22Å; M301-F306 VanDerWaalsContact SD-CA 3.59Å; M301-F306 HydrophobicContact SD-CB 3.69Å; K302-F306 PolarHBondContact O-N 2.77Å; R303-F306 PolarHBondContact O-N 2.64Å; F306-L309 WeakPolarHBondContact O-CB 3.11Å; F306-L309 PolarHBondContact O-N 2.89Å; F306-C310 WeakPolarHBondContact CE2-SG 3.43Å; F306-C310 PolarHBondContact O-N 3.05Å; F306-C310 PolarHBondContact O-SG 3.5Å; F306-C310 VanDerWaalsContact O-SG 3.33Å; F306-L347 HydrophobicContact CE1-CD2 3.94Å; F306-L347 HydrophobicContact CZ-CD2 4.4Å
307E98.3Very high98.2Very high43 Ų4350.7 Ų50.720%0.20126%0.263CS..Hα-helixtrans-65.9-39.4178.5-76.2177.1-173.700112R303 S304 D305 C310 S311 F314 K349R303-E307 WeakPolarHBondContact CD-OE1 3.39Å; R303-E307 HydrophobicContact CG-CG 4.18Å; R303-E307 WeakPolarHBondContact CG-OE1 3.4Å; R303-E307 IonicContact NE-OE1 3.56Å; R303-E307 WeakPolarHBondContact O-CB 3.46Å; R303-E307 WeakPolarHBondContact O-CG 3.28Å; R303-E307 PolarHBondContact O-N 3.18Å; S304-E307 PolarHBondContact O-N 3.19Å; D305-E307 VanDerWaalsContact C-N 3.34Å; E307-C310 PolarHBondContact O-N 3.09Å; E307-S311 PolarHBondContact O-N 3.35Å; E307-F314 HydrophobicContact CB-CE2 4.25Å; E307-F314 HydrophobicContact CG-CE2 4.31Å; E307-F314 HydrophobicContact CG-CZ 4.44Å; E307-F314 WeakPolarHBondContact O-CE2 3.44Å; E307-K349 HydrophobicContact CG-CB 4.1Å; E307-K349 HydrophobicContact CG-CG 4.38Å
308E98.4Very high98.2Very high145 Ų14551.8 Ų51.868%0.67827%0.27SS*.Hα-helixtrans-64.1-46.7173.6-176.1175.9-179.100111.7S304 D305 C310 S311S304-E308 PolarHBondContact O-N 2.97Å; D305-E308 PolarHBondContact O-N 3.41Å; E308-C310 PolarHBondContact O-N 3.42Å; E308-S311 VanDerWaalsContact O-CB 3.24Å; E308-S311 WeakPolarHBondContact O-CB 3.3Å; E308-S311 PolarHBondContact O-N 3.12Å; E308-S311 VanDerWaalsContact O-N 3.11Å; E308-S311 PolarHBondContact O-OG 2.66Å
309L98.4Very high98.3Very high62 Ų6251.7 Ų51.733%0.32527%0.267SS..Hα-helixtrans-54.5-38.7175.7174.863.8000112L240 V243 M301 D305 F306L240-L309 HydrophobicContact CD2-CD2 4.25Å; V243-L309 HydrophobicContact CG2-CD1 3.53Å; V243-L309 HydrophobicContact CG2-CD2 3.7Å; V243-L309 HydrophobicContact CG2-CG 4.27Å; M301-L309 HydrophobicContact CE-CD2 4.22Å; M301-L309 HydrophobicContact SD-CD2 4.31Å; D305-L309 VanDerWaalsContact O-CB 3.28Å; D305-L309 WeakPolarHBondContact O-CB 3.3Å; D305-L309 PolarHBondContact O-N 2.87Å; F306-L309 WeakPolarHBondContact O-CB 3.11Å; F306-L309 PolarHBondContact O-N 2.89Å
310C98.5Very high98.3Very high1 Ų151 Ų511%0.00726%0.262CS..THydrogen-bonded Turntrans-95.413.6-177-59.10000113.9F236 F306 E307 E308 K312 L313 F314F236-C310 HydrophobicContact CD1-CB 3.78Å; F236-C310 HydrophobicContact CE1-CB 3.93Å; F306-C310 WeakPolarHBondContact CE2-SG 3.43Å; F306-C310 PolarHBondContact O-N 3.05Å; F306-C310 PolarHBondContact O-SG 3.5Å; F306-C310 VanDerWaalsContact O-SG 3.33Å; E307-C310 PolarHBondContact O-N 3.09Å; E308-C310 PolarHBondContact O-N 3.42Å; C310-K312 PolarHBondContact O-N 3.46Å; C310-K312 VanDerWaalsContact O-N 3.11Å; C310-L313 HydrophobicContact CB-CD1 4.36Å; C310-L313 WeakPolarHBondContact O-CB 3.35Å; C310-L313 PolarHBondContact O-N 3.04Å; C310-F314 HydrophobicContact CB-CD2 4.16Å; C310-F314 HydrophobicContact CB-CE2 3.7Å; C310-F314 HydrophobicContact CB-CZ 4.37Å; C310-F314 VanDerWaalsContact O-CD2 3.22Å; C310-F314 WeakPolarHBondContact O-CD2 3.41Å; C310-F314 PolarHBondContact O-N 3.26Å; C310-F314 VanDerWaalsContact O-N 3.09Å
311S98.4Very high98.4Very high61 Ų6150.4 Ų50.443%0.42726%0.255SS..Hα-helixtrans-49.9-38.9-178.252.40000114.3E307 E308 F314 T315E307-S311 PolarHBondContact O-N 3.35Å; E308-S311 VanDerWaalsContact O-CB 3.24Å; E308-S311 WeakPolarHBondContact O-CB 3.3Å; E308-S311 PolarHBondContact O-N 3.12Å; E308-S311 VanDerWaalsContact O-N 3.11Å; E308-S311 PolarHBondContact O-OG 2.66Å; S311-F314 PolarHBondContact O-N 3.3Å; S311-T315 PolarHBondContact O-N 3.04Å; S311-T315 PolarHBondContact O-OG1 3.06Å
312K98.3Very high98.4Very high175 Ų17555 Ų5576%0.76128%0.275SS*.Hα-helixtrans-64.1-40.9176.2-65.7-177.2-178.9178.50113.1C310 T315 K316C310-K312 PolarHBondContact O-N 3.46Å; C310-K312 VanDerWaalsContact O-N 3.11Å; K312-T315 WeakPolarHBondContact O-CB 3.24Å; K312-T315 PolarHBondContact O-N 3.49Å; K312-K316 PolarHBondContact O-N 3.2Å
313L98.7Very high98.5Very high21 Ų2155.5 Ų55.511%0.1128%0.279CS..Hα-helixtrans-66.6-41.5176.6-61.2179.8000110.7L231 D235 F236 C310 T315 K316 F317L231-L313 HydrophobicContact CD1-CB 3.8Å; L231-L313 HydrophobicContact CD1-CD2 4.21Å; L231-L313 WeakPolarHBondContact CD1-O 3.36Å; D235-L313 HydrophobicContact CB-CD1 3.96Å; D235-L313 HydrophobicContact CB-CD2 4.12Å; F236-L313 HydrophobicContact CD1-CD1 3.82Å; F236-L313 HydrophobicContact CD2-CD1 4.32Å; F236-L313 HydrophobicContact CE1-CB 3.93Å; F236-L313 HydrophobicContact CE1-CD1 3.97Å; F236-L313 HydrophobicContact CE2-CD1 4.46Å; F236-L313 HydrophobicContact CG-CD1 4Å; F236-L313 HydrophobicContact CZ-CB 3.98Å; F236-L313 HydrophobicContact CZ-CD1 4.29Å; C310-L313 HydrophobicContact CB-CD1 4.36Å; C310-L313 WeakPolarHBondContact O-CB 3.35Å; C310-L313 PolarHBondContact O-N 3.04Å; L313-T315 VanDerWaalsContact C-N 3.26Å; L313-T315 PolarHBondContact O-N 3.16Å; L313-K316 HydrophobicContact CD2-CD 4.43Å; L313-K316 WeakPolarHBondContact O-CB 3.26Å; L313-K316 PolarHBondContact O-N 3.43Å; L313-F317 PolarHBondContact O-N 3.11Å
314F98.7Very high98.5Very high10 Ų1052.4 Ų52.44%0.04427%0.267CS..Hα-helixtrans-62.9-33.2173.1-67.9-53.4000113F236 E307 C310 S311 F317 S318 K349 L350 I353F236-F314 HydrophobicContact CD1-CZ 4.47Å; F236-F314 HydrophobicContact CE1-CD1 4.34Å; F236-F314 AromaticContact CE1-CE1 3.73Å; F236-F314 HydrophobicContact CE1-CE1 3.73Å; F236-F314 HydrophobicContact CE1-CE2 4.26Å; F236-F314 AromaticContact CE1-CZ 3.68Å; F236-F314 HydrophobicContact CE1-CZ 3.68Å; F236-F314 HydrophobicContact CZ-CE1 4.09Å; F236-F314 HydrophobicContact CZ-CZ 4.49Å; E307-F314 HydrophobicContact CB-CE2 4.25Å; E307-F314 HydrophobicContact CG-CE2 4.31Å; E307-F314 HydrophobicContact CG-CZ 4.44Å; E307-F314 WeakPolarHBondContact O-CE2 3.44Å; C310-F314 HydrophobicContact CB-CD2 4.16Å; C310-F314 HydrophobicContact CB-CE2 3.7Å; C310-F314 HydrophobicContact CB-CZ 4.37Å; C310-F314 VanDerWaalsContact O-CD2 3.22Å; C310-F314 WeakPolarHBondContact O-CD2 3.41Å; C310-F314 PolarHBondContact O-N 3.26Å; C310-F314 VanDerWaalsContact O-N 3.09Å; S311-F314 PolarHBondContact O-N 3.3Å; F314-F317 WeakPolarHBondContact O-CB 3.08Å; F314-F317 PolarHBondContact O-N 3.47Å; F314-S318 PolarHBondContact O-N 3.22Å; F314-S318 PolarHBondContact O-OG 3.14Å; F314-S318 VanDerWaalsContact O-OG 3.09Å; F314-K349 HydrophobicContact CD1-CB 4.3Å; F314-K349 HydrophobicContact CD1-CG 3.78Å; F314-K349 HydrophobicContact CD2-CG 4.04Å; F314-K349 HydrophobicContact CE1-CB 3.67Å; F314-K349 HydrophobicContact CE1-CG 3.62Å; F314-K349 HydrophobicContact CE2-CB 4.33Å; F314-K349 HydrophobicContact CE2-CG 3.89Å; F314-K349 HydrophobicContact CG-CG 4Å; F314-K349 HydrophobicContact CZ-CB 3.69Å; F314-K349 HydrophobicContact CZ-CG 3.68Å; F314-L350 HydrophobicContact CD1-CD2 3.82Å; F314-L350 HydrophobicContact CE1-CD2 3.83Å; F314-L350 HydrophobicContact CE1-CG 4.18Å; F314-I353 HydrophobicContact CB-CD1 3.69Å; F314-I353 HydrophobicContact CD1-CD1 3.66Å; F314-I353 HydrophobicContact CG-CD1 3.93Å
315T98.7Very high98.5Very high79 Ų7950.9 Ų50.949%0.48525%0.254SS..Hα-helixtrans-68.8-41.7176.2-58.60000111.4S311 K312 L313 F317 S318 N319S311-T315 PolarHBondContact O-N 3.04Å; S311-T315 PolarHBondContact O-OG1 3.06Å; K312-T315 WeakPolarHBondContact O-CB 3.24Å; K312-T315 PolarHBondContact O-N 3.49Å; L313-T315 VanDerWaalsContact C-N 3.26Å; L313-T315 PolarHBondContact O-N 3.16Å; T315-F317 VanDerWaalsContact C-N 3.34Å; T315-S318 WeakPolarHBondContact O-CB 3.49Å; T315-S318 PolarHBondContact O-N 2.82Å; T315-N319 VanDerWaalsContact O-CG 3.27Å; T315-N319 PolarHBondContact O-N 2.86Å; T315-N319 PolarHBondContact O-ND2 3.39Å
316K98.6Very high98.5Very high64 Ų6453.2 Ų53.228%0.27827%0.27SS..Hα-helixtrans-57.6-47.1170.9-73174.5148.2-135.40111.4D228 D230 L231 K312 L313 S318 N319 L320D228-K316 IonicContact OD1-NZ 2.69Å; D228-K316 PolarHBondContact OD1-NZ 3.36Å; D228-K316 WeakPolarHBondContact OD2-CD 3.31Å; D228-K316 WeakPolarHBondContact OD2-CE 3.47Å; D228-K316 IonicContact OD2-NZ 2.77Å; D228-K316 PolarHBondContact OD2-NZ 3.23Å; D230-K316 PolarHBondContact O-NZ 2.92Å; L231-K316 HydrophobicContact CD1-CB 4.48Å; L231-K316 HydrophobicContact CD2-CB 4.1Å; K312-K316 PolarHBondContact O-N 3.2Å; L313-K316 HydrophobicContact CD2-CD 4.43Å; L313-K316 WeakPolarHBondContact O-CB 3.26Å; L313-K316 PolarHBondContact O-N 3.43Å; K316-S318 PolarHBondContact O-N 3.42Å; K316-N319 WeakPolarHBondContact O-CB 3.46Å; K316-N319 PolarHBondContact O-N 3.18Å; K316-N319 VanDerWaalsContact O-N 3.09Å; K316-L320 PolarHBondContact O-N 3.26Å
317F98.8Very high98.3Very high1 Ų156.5 Ų56.50%0.00429%0.286CS..Hα-helixtrans-57.9-46.2176.4-175-103.2000112.3I201 V203 T208 I210 L231 L313 F314 T315 N319 L320 L321 L350 I353 V354I201-F317 HydrophobicContact CD1-CZ 4.35Å; I201-F317 HydrophobicContact CG2-CE2 3.58Å; I201-F317 HydrophobicContact CG2-CZ 3.79Å; V203-F317 HydrophobicContact CG2-CE2 3.95Å; T208-F317 HydrophobicContact CG2-CD2 4.29Å; T208-F317 HydrophobicContact CG2-CE2 4.39Å; I210-F317 HydrophobicContact CD1-CE2 4.41Å; L231-F317 HydrophobicContact CD2-CB 3.97Å; L231-F317 HydrophobicContact CD2-CD2 4.33Å; L313-F317 PolarHBondContact O-N 3.11Å; F314-F317 WeakPolarHBondContact O-CB 3.08Å; F314-F317 PolarHBondContact O-N 3.47Å; T315-F317 VanDerWaalsContact C-N 3.34Å; F317-N319 VanDerWaalsContact C-N 3.26Å; F317-N319 PolarHBondContact O-N 2.8Å; F317-L320 PolarHBondContact O-N 2.89Å; F317-L321 HydrophobicContact CD1-CD1 3.96Å; F317-L321 HydrophobicContact CE1-CD1 3.6Å; F317-L321 HydrophobicContact CE1-CG 4.28Å; F317-L321 HydrophobicContact CZ-CD1 4.24Å; F317-L321 PolarHBondContact O-N 3.24Å; F317-L350 HydrophobicContact CB-CD2 4.23Å; F317-L350 HydrophobicContact CD1-CD2 3.6Å; F317-L350 HydrophobicContact CD2-CD2 3.89Å; F317-L350 HydrophobicContact CE1-CB 4.15Å; F317-L350 HydrophobicContact CE1-CD2 3.81Å; F317-L350 HydrophobicContact CE2-CD2 4.1Å; F317-L350 HydrophobicContact CG-CD2 3.63Å; F317-L350 HydrophobicContact CZ-CB 4.24Å; F317-L350 HydrophobicContact CZ-CD2 4.06Å; F317-I353 HydrophobicContact CD1-CB 4.21Å; F317-I353 HydrophobicContact CD1-CD1 4.36Å; F317-I353 HydrophobicContact CD1-CG2 3.79Å; F317-I353 HydrophobicContact CE1-CB 4.28Å; F317-I353 HydrophobicContact CE1-CG2 4.1Å; F317-V354 HydrophobicContact CE1-CG2 3.88Å; F317-V354 HydrophobicContact CZ-CG2 3.9Å
318S98.7Very high98.2Very high22 Ų2254.9 Ų54.915%0.15428%0.28CS..Hα-helixtrans-57.8-37.2174.4-65.70000113.1F314 T315 K316 K322 I353 I357F314-S318 PolarHBondContact O-N 3.22Å; F314-S318 PolarHBondContact O-OG 3.14Å; F314-S318 VanDerWaalsContact O-OG 3.09Å; T315-S318 WeakPolarHBondContact O-CB 3.49Å; T315-S318 PolarHBondContact O-N 2.82Å; K316-S318 PolarHBondContact O-N 3.42Å; S318-K322 WeakPolarHBondContact O-CG 3.47Å; S318-K322 PolarHBondContact O-N 3.17Å; S318-I353 VanDerWaalsContact OG-CG2 3.24Å; S318-I353 WeakPolarHBondContact OG-CG2 3.22Å; S318-I357 VanDerWaalsContact CA-CD1 3.5Å; S318-I357 VanDerWaalsContact CB-CD1 3.46Å
319N98.6Very high98.2Very high72 Ų7253 Ų5339%0.38528%0.283SS..Hα-helixtrans-70-39.7178.6-68.3-21.8000111.8T315 K316 F317 L321 K322 Q323T315-N319 VanDerWaalsContact O-CG 3.27Å; T315-N319 PolarHBondContact O-N 2.86Å; T315-N319 PolarHBondContact O-ND2 3.39Å; K316-N319 WeakPolarHBondContact O-CB 3.46Å; K316-N319 PolarHBondContact O-N 3.18Å; K316-N319 VanDerWaalsContact O-N 3.09Å; F317-N319 VanDerWaalsContact C-N 3.26Å; F317-N319 PolarHBondContact O-N 2.8Å; N319-L321 VanDerWaalsContact C-N 3.32Å; N319-L321 PolarHBondContact O-N 3.05Å; N319-K322 PolarHBondContact O-N 2.98Å; N319-Q323 VanDerWaalsContact O-CG 3.28Å; N319-Q323 WeakPolarHBondContact O-CG 3.36Å; N319-Q323 PolarHBondContact O-N 3.44Å
320L98.6Very high98.1Very high6 Ų652.9 Ų52.93%0.03128%0.28CS..Hα-helixtrans-60.4-41.8174.8-65.9-178.9000111.9T208 I210 V226 W227 D228 L231 K316 F317 K322 Q323 I324T208-L320 HydrophobicContact CG2-CD1 3.78Å; I210-L320 HydrophobicContact CD1-CB 3.65Å; I210-L320 HydrophobicContact CD1-CD1 4.48Å; I210-L320 HydrophobicContact CG1-CB 4.4Å; V226-L320 HydrophobicContact CB-CD2 4.21Å; V226-L320 HydrophobicContact CG2-CB 4.1Å; V226-L320 HydrophobicContact CG2-CD2 4.15Å; W227-L320 WeakPolarHBondContact O-CD2 3.36Å; D228-L320 HydrophobicContact CB-CD1 3.86Å; D228-L320 HydrophobicContact CB-CD2 4.37Å; D228-L320 HydrophobicContact CB-CG 4.48Å; L231-L320 HydrophobicContact CD2-CD1 3.89Å; K316-L320 PolarHBondContact O-N 3.26Å; F317-L320 PolarHBondContact O-N 2.89Å; L320-K322 VanDerWaalsContact C-N 3.25Å; L320-K322 PolarHBondContact O-N 3.38Å; L320-Q323 PolarHBondContact O-N 2.93Å; L320-I324 PolarHBondContact O-N 2.94Å
321L98.8Very high98.1Very high0 Ų059.8 Ų59.80%031%0.306CS..Hα-helixtrans-61.9-32.5177-67.2171.4000113.1I201 I210 F317 N319 I324 I353 V354 I357 L358I201-L321 HydrophobicContact CD1-CD2 3.58Å; I201-L321 HydrophobicContact CG1-CD2 4.25Å; I210-L321 HydrophobicContact CD1-CD2 3.7Å; I210-L321 HydrophobicContact CD1-CG 4.11Å; F317-L321 HydrophobicContact CD1-CD1 3.96Å; F317-L321 HydrophobicContact CE1-CD1 3.6Å; F317-L321 HydrophobicContact CE1-CG 4.28Å; F317-L321 HydrophobicContact CZ-CD1 4.24Å; F317-L321 PolarHBondContact O-N 3.24Å; N319-L321 VanDerWaalsContact C-N 3.32Å; N319-L321 PolarHBondContact O-N 3.05Å; L321-I324 VanDerWaalsContact O-CG2 3.28Å; L321-I324 WeakPolarHBondContact O-CG2 3.25Å; L321-I353 HydrophobicContact CD1-CG2 3.82Å; L321-V354 HydrophobicContact CD1-CG2 4.1Å; L321-V354 HydrophobicContact CD2-CG2 4.32Å; L321-I357 HydrophobicContact CB-CB 4.41Å; L321-I357 HydrophobicContact CB-CD1 4.3Å; L321-I357 HydrophobicContact CB-CG2 3.8Å; L321-I357 HydrophobicContact CD1-CB 4.29Å; L321-I357 HydrophobicContact CD1-CD1 4.03Å; L321-L358 HydrophobicContact CD2-CD1 3.85Å; L321-L358 HydrophobicContact CD2-CG 4.35Å
322K98.5Very high98.1Very high116 Ų11659.1 Ų59.150%0.50430%0.299SS..Hα-helixtrans-75.7-41.9174.2-65.8170.1-175.3175.50111.4S318 N319 L320 I324 L325 V326 I357S318-K322 WeakPolarHBondContact O-CG 3.47Å; S318-K322 PolarHBondContact O-N 3.17Å; N319-K322 PolarHBondContact O-N 2.98Å; L320-K322 VanDerWaalsContact C-N 3.25Å; L320-K322 PolarHBondContact O-N 3.38Å; K322-I324 PolarHBondContact O-N 3.26Å; K322-L325 PolarHBondContact O-N 2.86Å; K322-V326 PolarHBondContact O-N 3.45Å; K322-I357 HydrophobicContact CG-CG2 4.17Å
323Q98.1Very high98Very high99 Ų9956.2 Ų56.246%0.46329%0.288SS..Hα-helixtrans-63.6-40.5-179.7-71.9171.59.900112V226 N319 L320 L325 V326 E327V226-Q323 HydrophobicContact CG1-CB 3.86Å; N319-Q323 VanDerWaalsContact O-CG 3.28Å; N319-Q323 WeakPolarHBondContact O-CG 3.36Å; N319-Q323 PolarHBondContact O-N 3.44Å; L320-Q323 PolarHBondContact O-N 2.93Å; Q323-L325 VanDerWaalsContact C-N 3.27Å; Q323-L325 PolarHBondContact O-N 3.4Å; Q323-V326 WeakPolarHBondContact O-CB 3.36Å; Q323-V326 PolarHBondContact O-N 3.02Å; Q323-V326 VanDerWaalsContact O-N 3.09Å; Q323-E327 PolarHBondContact O-N 3.28Å
324I98.3Very high98Very high0 Ų057.7 Ų57.70%030%0.296CS..Hα-helixtrans-63.7-33.2-178.7-17059.2000112.9I199 I210 A212 G224 V226 L320 L321 K322 V326 E327 A328I199-I324 HydrophobicContact CD1-CG2 4.23Å; I210-I324 HydrophobicContact CG2-CB 4.12Å; I210-I324 HydrophobicContact CG2-CG1 4.05Å; I210-I324 HydrophobicContact CG2-CG2 3.93Å; A212-I324 HydrophobicContact CB-CD1 4.04Å; A212-I324 HydrophobicContact CB-CG1 3.87Å; G224-I324 WeakPolarHBondContact O-CD1 3.48Å; V226-I324 HydrophobicContact CG1-CB 4.41Å; V226-I324 HydrophobicContact CG1-CD1 4.34Å; V226-I324 HydrophobicContact CG2-CB 3.85Å; V226-I324 HydrophobicContact CG2-CD1 4.33Å; L320-I324 PolarHBondContact O-N 2.94Å; L321-I324 VanDerWaalsContact O-CG2 3.28Å; L321-I324 WeakPolarHBondContact O-CG2 3.25Å; K322-I324 PolarHBondContact O-N 3.26Å; I324-V326 VanDerWaalsContact C-N 3.34Å; I324-E327 PolarHBondContact O-N 3.35Å; I324-A328 WeakPolarHBondContact O-CB 3.4Å; I324-A328 PolarHBondContact O-N 3.13Å
325L98.4Very high97.9Very high23 Ų2357.3 Ų57.312%0.1229%0.294CS..Hα-helixtrans-64.9-40.7175-70.2173.6000111.4I199 K322 Q323 S329 K330 V332 I335 L358I199-L325 HydrophobicContact CD1-CD2 4.2Å; K322-L325 PolarHBondContact O-N 2.86Å; Q323-L325 VanDerWaalsContact C-N 3.27Å; Q323-L325 PolarHBondContact O-N 3.4Å; L325-S329 PolarHBondContact O-N 2.73Å; L325-S329 VanDerWaalsContact O-N 3.11Å; L325-K330 WeakPolarHBondContact CB-O 3.37Å; L325-K330 PolarHBondContact O-N 2.99Å; L325-V332 HydrophobicContact CD1-CG2 3.7Å; L325-I335 HydrophobicContact CD2-CD1 4.12Å; L325-I335 HydrophobicContact CD2-CG1 3.91Å; L325-L358 HydrophobicContact CD1-CD2 3.83Å; L325-L358 HydrophobicContact CD2-CD2 4.19Å; L325-L358 HydrophobicContact CG-CD2 4.09Å
326V97.4Very high97.9Very high113 Ų11358.6 Ų58.669%0.68530%0.295SS*.Hα-helixtrans-65.4-49.5176.2177.80000110.4K322 Q323 I324 A328 S329K322-V326 PolarHBondContact O-N 3.45Å; Q323-V326 WeakPolarHBondContact O-CB 3.36Å; Q323-V326 PolarHBondContact O-N 3.02Å; Q323-V326 VanDerWaalsContact O-N 3.09Å; I324-V326 VanDerWaalsContact C-N 3.34Å; V326-A328 PolarHBondContact O-N 3.4Å; V326-S329 PolarHBondContact O-N 2.96Å
327E95.5Very high97.9Very high73 Ų7356.2 Ų56.234%0.34129%0.286SS..Hα-helixtrans-64.7-40.8-178-166176146.900112.2G224 V225 V226 Q323 I324 S329G224-E327 WeakPolarHBondContact CA-OE1 3.33Å; V225-E327 PolarHBondContact N-OE1 3.4Å; V225-E327 VanDerWaalsContact O-OE1 3.13Å; V225-E327 VanDerWaalsContact O-OE2 3.12Å; V226-E327 WeakPolarHBondContact CG1-OE2 3.49Å; Q323-E327 PolarHBondContact O-N 3.28Å; I324-E327 PolarHBondContact O-N 3.35Å; E327-S329 PolarHBondContact O-N 3.13Å
328A96.9Very high97.8Very high9 Ų956.1 Ų56.17%0.07429%0.286CS..THydrogen-bonded Turntrans-72.5-10.317500000113.6A212 L223 I324 V326 K330A212-A328 HydrophobicContact CB-CB 3.55Å; L223-A328 HydrophobicContact CB-CB 3.93Å; L223-A328 HydrophobicContact CD1-CB 4.48Å; I324-A328 WeakPolarHBondContact O-CB 3.4Å; I324-A328 PolarHBondContact O-N 3.13Å; V326-A328 PolarHBondContact O-N 3.4Å; A328-K330 VanDerWaalsContact C-N 3.29Å; A328-K330 HydrophobicContact CB-CB 4.32Å; A328-K330 HydrophobicContact CB-CG 3.98Å; A328-K330 PolarHBondContact O-N 3.33Å
329S96.8Very high97.8Very high106 Ų10655.2 Ų55.274%0.74128%0.279SS*.THydrogen-bonded Turntrans51.448.1-170-59.90000112L325 V326 E327L325-S329 PolarHBondContact O-N 2.73Å; L325-S329 VanDerWaalsContact O-N 3.11Å; V326-S329 PolarHBondContact O-N 2.96Å; E327-S329 PolarHBondContact O-N 3.13Å
330K97.7Very high97.8Very high60 Ų6051.9 Ų51.926%0.26126%0.261SS..  trans-125.8148.1-179.4-65.1-58.3177.4-177.80111.4L223 L325 A328 D334 I335L223-K330 HydrophobicContact CD1-CG 4.3Å; L325-K330 WeakPolarHBondContact CB-O 3.37Å; L325-K330 PolarHBondContact O-N 2.99Å; A328-K330 VanDerWaalsContact C-N 3.29Å; A328-K330 HydrophobicContact CB-CB 4.32Å; A328-K330 HydrophobicContact CB-CG 3.98Å; A328-K330 PolarHBondContact O-N 3.33Å; K330-D334 HydrophobicContact CB-CB 4.32Å; K330-D334 HydrophobicContact CD-CB 3.99Å; K330-I335 HydrophobicContact CB-CD1 3.97Å; K330-I335 HydrophobicContact CG-CD1 4.39Å
331R97.4Very high97.8Very high145 Ų14551.6 Ų51.655%0.54726%0.26SS..  trans-94165.5167.8-53.7169-66.2152.212109.5E333 D334R331-E333 HydrophobicContact CB-CG 4.12Å; R331-E333 WeakPolarHBondContact CB-OE2 3.05Å; R331-E333 WeakPolarHBondContact CD-OE1 3.34Å; R331-E333 IonicContact CZ-OE1 2.8Å; R331-E333 IonicContact NE-OE1 2.98Å; R331-E333 PolarHBondContact NE-OE1 3.1Å; R331-E333 IonicContact NH1-OE1 2.66Å; R331-E333 PolarHBondContact NH1-OE1 2.99Å; R331-E333 IonicContact NH2-OE1 3.84Å; R331-E333 PolarHBondContact O-N 2.9Å; R331-D334 WeakPolarHBondContact CB-OD2 3.36Å; R331-D334 IonicContact CZ-OD1 2.76Å; R331-D334 PolarHBondContact N-OD2 3.22Å; R331-D334 IonicContact NE-OD1 3.06Å; R331-D334 IonicContact NE-OD2 2.75Å; R331-D334 PolarHBondContact NE-OD2 3.17Å; R331-D334 IonicContact NH2-OD1 3.3Å; R331-D334 PolarHBondContact NH2-OD1 3.19Å; R331-D334 IonicContact NH2-OD2 2.9Å; R331-D334 WeakPolarHBondContact O-CB 3.29Å; R331-D334 PolarHBondContact O-N 3.44Å
332V97.9Very high97.8Very high47 Ų4752 Ų5229%0.28526%0.263SS..G310 helixtrans-58.9-38.4-177.9173.70000111.7L325 D334 I335 L358L325-V332 HydrophobicContact CD1-CG2 3.7Å; V332-D334 PolarHBondContact O-N 3.47Å; V332-I335 PolarHBondContact O-N 2.88Å; V332-L358 VanDerWaalsContact CG1-C 3.47Å; V332-L358 WeakPolarHBondContact CG1-O 3.3Å
333E97.4Very high97.7Very high115 Ų11548.2 Ų48.254%0.53726%0.258SS..G310 helixtrans-65.3-24.5176.560.1-94.2-138.500113.9R331 I335R331-E333 HydrophobicContact CB-CG 4.12Å; R331-E333 WeakPolarHBondContact CB-OE2 3.05Å; R331-E333 WeakPolarHBondContact CD-OE1 3.34Å; R331-E333 IonicContact CZ-OE1 2.8Å; R331-E333 IonicContact NE-OE1 2.98Å; R331-E333 PolarHBondContact NE-OE1 3.1Å; R331-E333 IonicContact NH1-OE1 2.66Å; R331-E333 PolarHBondContact NH1-OE1 2.99Å; R331-E333 IonicContact NH2-OE1 3.84Å; R331-E333 PolarHBondContact O-N 2.9Å; E333-I335 VanDerWaalsContact C-N 3.27Å; E333-I335 PolarHBondContact O-N 2.9Å
334D97.5Very high97.6Very high51 Ų5143.9 Ų43.927%0.27324%0.239SC..G310 helixtrans-81.4-10180-51.9-44.5000111.8N197 K330 R331 V332N197-D334 WeakPolarHBondContact CB-O 3.37Å; N197-D334 PolarHBondContact ND2-O 2.95Å; K330-D334 HydrophobicContact CB-CB 4.32Å; K330-D334 HydrophobicContact CD-CB 3.99Å; R331-D334 WeakPolarHBondContact CB-OD2 3.36Å; R331-D334 IonicContact CZ-OD1 2.76Å; R331-D334 PolarHBondContact N-OD2 3.22Å; R331-D334 IonicContact NE-OD1 3.06Å; R331-D334 IonicContact NE-OD2 2.75Å; R331-D334 PolarHBondContact NE-OD2 3.17Å; R331-D334 IonicContact NH2-OD1 3.3Å; R331-D334 PolarHBondContact NH2-OD1 3.19Å; R331-D334 IonicContact NH2-OD2 2.9Å; R331-D334 WeakPolarHBondContact O-CB 3.29Å; R331-D334 PolarHBondContact O-N 3.44Å; V332-D334 PolarHBondContact O-N 3.47Å
335I98.3Very high97.6Very high2 Ų243.9 Ų43.91%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-86.5124.2178-52-52.9000109.5N197 I199 L325 K330 V332 E333 S337 V338 K360N197-I335 HydrophobicContact CB-CD1 4.35Å; I199-I335 HydrophobicContact CD1-CD1 3.81Å; I199-I335 HydrophobicContact CD1-CG1 3.88Å; I199-I335 HydrophobicContact CD1-CG2 4.07Å; I199-I335 HydrophobicContact CG1-CD1 4.08Å; I199-I335 HydrophobicContact CG1-CG1 4.48Å; I199-I335 HydrophobicContact CG1-CG2 4.1Å; L325-I335 HydrophobicContact CD2-CD1 4.12Å; L325-I335 HydrophobicContact CD2-CG1 3.91Å; K330-I335 HydrophobicContact CB-CD1 3.97Å; K330-I335 HydrophobicContact CG-CD1 4.39Å; V332-I335 PolarHBondContact O-N 2.88Å; E333-I335 VanDerWaalsContact C-N 3.27Å; E333-I335 PolarHBondContact O-N 2.9Å; I335-S337 WeakPolarHBondContact CG2-O 3.42Å; I335-V338 HydrophobicContact CG2-CG2 4.28Å; I335-K360 WeakPolarHBondContact O-CE 3.4Å; I335-K360 PolarHBondContact O-NZ 2.6Å
336H97.5Very high97.6Very high106 Ų10647.4 Ų47.449%0.49125%0.251SS..EExtended strand (participates in β ladder)trans-78.1-55.5177.917585.7000111.4Q196 N197Q196-H336 HydrophobicContact CG-CB 3.53Å; Q196-H336 VanDerWaalsContact CG-CG 3.48Å; Q196-H336 PolarHBondContact NE2-CD2 2.95Å; Q196-H336 PolarHBondContact NE2-NE2 3.42Å; Q196-H336 VanDerWaalsContact NE2-NE2 3.19Å; N197-H336 VanDerWaalsContact O-CB 3.29Å; N197-H336 WeakPolarHBondContact O-CB 3.39Å; N197-H336 PolarHBondContact O-N 3.47Å
337S97.8Very high97.5Very high14 Ų1442.5 Ų42.510%0.09822%0.221CC..EExtended strand (participates in β ladder)trans-145.3163.8-178.363.50000111.9Y181 V198 I199 I335Y181-S337 PolarHBondContact OH-OG 2.93Å; V198-S337 WeakPolarHBondContact CA-O 3.45Å; I199-S337 PolarHBondContact N-O 2.81Å; I199-S337 VanDerWaalsContact N-O 3.09Å; I335-S337 WeakPolarHBondContact CG2-O 3.42Å
338V98.7Very high97.6Very high0 Ų040.8 Ų40.80%022%0.216CC..EExtended strand (participates in β ladder)trans-125.6130.8175.4-1750000108I199 I201 I335 V354 L358 K360 C363I199-V338 HydrophobicContact CB-CG1 4.4Å; I199-V338 HydrophobicContact CB-CG2 4.36Å; I199-V338 HydrophobicContact CG2-CG1 4.28Å; I199-V338 CarbonylContact O-C 3.05Å; I199-V338 VanDerWaalsContact O-CA 3.28Å; I199-V338 WeakPolarHBondContact O-CA 3.38Å; I201-V338 HydrophobicContact CD1-CG1 3.49Å; I201-V338 VanDerWaalsContact CD1-CG1 3.49Å; I201-V338 HydrophobicContact CG1-CG1 4.1Å; I335-V338 HydrophobicContact CG2-CG2 4.28Å; V338-V354 HydrophobicContact CB-CG1 4.25Å; V338-V354 HydrophobicContact CG1-CG1 3.84Å; V338-V354 HydrophobicContact CG2-CG1 4.39Å; V338-L358 HydrophobicContact CG1-CD1 4.22Å; V338-L358 HydrophobicContact CG2-CB 4.32Å; V338-L358 HydrophobicContact CG2-CD1 3.63Å; V338-K360 HydrophobicContact CG2-CB 3.89Å; V338-K360 HydrophobicContact CG2-CG 4.14Å; V338-C363 WeakPolarHBondContact O-CB 3.47Å; V338-C363 PolarHBondContact O-N 3.04Å
339E98.5Very high97.7Very high3 Ų343.8 Ų43.81%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-117.7132.8-179.8-70.7-72.9168.100110.1Y181 V198 I199 F200 I201 C363 T365Y181-E339 HydrophobicContact CD2-CG 3.97Å; Y181-E339 HydrophobicContact CE2-CG 3.78Å; Y181-E339 WeakPolarHBondContact CE2-OE1 3.13Å; V198-E339 HydrophobicContact CG1-CG 4.37Å; I199-E339 PolarHBondContact O-N 2.89Å; F200-E339 WeakPolarHBondContact CA-O 3.49Å; F200-E339 HydrophobicContact CD1-CB 3.52Å; F200-E339 HydrophobicContact CD1-CG 4.2Å; F200-E339 HydrophobicContact CE1-CB 3.71Å; F200-E339 HydrophobicContact CE1-CG 3.85Å; I201-E339 PolarHBondContact N-O 2.93Å; E339-C363 WeakPolarHBondContact CA-O 3.3Å; E339-C363 VanDerWaalsContact CD-CB 3.48Å; E339-C363 VanDerWaalsContact OE1-CB 3.29Å; E339-C363 WeakPolarHBondContact OE1-CB 3.38Å; E339-C363 WeakPolarHBondContact OE2-CB 3.45Å; E339-T365 VanDerWaalsContact OE1-CB 3.28Å; E339-T365 WeakPolarHBondContact OE1-CB 3.48Å; E339-T365 PolarHBondContact OE1-OG1 3.25Å; E339-T365 WeakPolarHBondContact OE2-CB 3.39Å; E339-T365 PolarHBondContact OE2-N 2.81Å; E339-T365 PolarHBondContact OE2-OG1 2.85Å
340L98.6Very high97.7Very high1 Ų138.9 Ų38.91%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-99.8131.5177.5-61-177.8000110.9I201 K351 V354 P362 C363 T364I201-L340 HydrophobicContact CB-CD2 3.74Å; I201-L340 HydrophobicContact CD1-CD2 3.8Å; I201-L340 HydrophobicContact CG1-CD2 4.28Å; I201-L340 HydrophobicContact CG2-CD2 4.11Å; L340-K351 HydrophobicContact CD1-CD 4.43Å; L340-K351 HydrophobicContact CD1-CG 3.76Å; L340-V354 HydrophobicContact CD2-CG2 4.44Å; L340-P362 HydrophobicContact CD1-CB 3.66Å; L340-P362 HydrophobicContact CD1-CG 4.1Å; L340-P362 HydrophobicContact CD2-CB 4.18Å; L340-P362 HydrophobicContact CG-CB 3.71Å; L340-C363 PolarHBondContact N-O 2.92Å; L340-T364 HydrophobicContact CB-CG2 4.28Å
341V98.5Very high97.7Very high1 Ų139.5 Ų39.51%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-136.4173170.5-59.50000110V177 I201 D202 V203 S345 L366 A371V177-V341 HydrophobicContact CG1-CG1 3.93Å; V177-V341 HydrophobicContact CG1-CG2 3.94Å; V177-V341 HydrophobicContact CG2-CG2 3.91Å; I201-V341 PolarHBondContact O-N 3.4Å; I201-V341 VanDerWaalsContact O-O 3.11Å; D202-V341 WeakPolarHBondContact CA-O 3.35Å; D202-V341 HydrophobicContact CB-CG2 3.61Å; V203-V341 PolarHBondContact N-O 3.24Å; V341-S345 WeakPolarHBondContact O-CB 3.42Å; V341-S345 PolarHBondContact O-OG 2.84Å; V341-S345 VanDerWaalsContact O-OG 3.07Å; V341-L366 HydrophobicContact CG1-CB 4Å; V341-L366 HydrophobicContact CG1-CD1 3.93Å; V341-A371 HydrophobicContact CB-CB 4.45Å; V341-A371 HydrophobicContact CG1-CB 3.87Å
342G98Very high97.8Very high7 Ų735.8 Ų35.87%0.07219%0.192CC..SBendtrans81.3143.8-175.600000112.8D202 V203 G344 S345 Q368D202-G342 VanDerWaalsContact OD1-CA 3.27Å; D202-G342 WeakPolarHBondContact OD1-CA 3.42Å; V203-G342 CarbonylContact O-C 3.56Å; V203-G342 WeakPolarHBondContact O-CA 3.44Å; G342-G344 VanDerWaalsContact C-N 3.29Å; G342-G344 PolarHBondContact O-N 3.47Å; G342-S345 WeakPolarHBondContact O-CB 3.31Å; G342-S345 PolarHBondContact O-N 2.89Å; G342-S345 VanDerWaalsContact O-N 3.08Å; G342-S345 PolarHBondContact O-OG 3.48Å; G342-Q368 WeakPolarHBondContact CA-O 3.34Å; G342-Q368 PolarHBondContact N-O 2.91Å
343G96.1Very high97.8Very high38 Ų3833.8 Ų33.839%0.39218%0.18SC..G310 helixtrans-61.8-31.7-172.200000115.3V203 S345V203-G343 PolarHBondContact O-N 3.43Å; G343-S345 VanDerWaalsContact C-N 3.28Å; G343-S345 PolarHBondContact O-N 2.87Å
344G97.2Very high97.8Very high7 Ų728.3 Ų28.37%0.07215%0.154CC..G310 helixtrans-72-18.2177.800000113.9V203 G342 R346 L347 L350V203-G344 WeakPolarHBondContact O-CA 3.36Å; V203-G344 PolarHBondContact O-N 2.97Å; G342-G344 VanDerWaalsContact C-N 3.29Å; G342-G344 PolarHBondContact O-N 3.47Å; G344-R346 PolarHBondContact O-N 2.89Å; G344-R346 VanDerWaalsContact O-N 3.08Å; G344-L347 PolarHBondContact O-N 3.32Å; G344-L350 VanDerWaalsContact O-CD1 3.3Å; G344-L350 WeakPolarHBondContact O-CD1 3.47Å
345S97.8Very high97.9Very high0 Ų031.4 Ų31.40%017%0.165CC..G310 helixtrans-70-7.6-178.769.50000113.4V341 G342 G343 L347 Q368V341-S345 WeakPolarHBondContact O-CB 3.42Å; V341-S345 PolarHBondContact O-OG 2.84Å; V341-S345 VanDerWaalsContact O-OG 3.07Å; G342-S345 WeakPolarHBondContact O-CB 3.31Å; G342-S345 PolarHBondContact O-N 2.89Å; G342-S345 VanDerWaalsContact O-N 3.08Å; G342-S345 PolarHBondContact O-OG 3.48Å; G343-S345 VanDerWaalsContact C-N 3.28Å; G343-S345 PolarHBondContact O-N 2.87Å; S345-L347 VanDerWaalsContact C-N 3.26Å; S345-L347 PolarHBondContact O-N 3.06Å; S345-Q368 PolarHBondContact OG-NE2 3.15Å
346R97.1Very high97.9Very high98 Ų9838.4 Ų38.437%0.3720%0.197SC..G310 helixtrans-74.8-10.6177.9-66.2179.3174.4110.9-6.5113.9G344 P348 D369G344-R346 PolarHBondContact O-N 2.89Å; G344-R346 VanDerWaalsContact O-N 3.08Å; R346-P348 WeakPolarHBondContact O-CD 2.96Å; R346-D369 IonicContact CZ-OD1 3.87Å; R346-D369 IonicContact CZ-OD2 2.77Å; R346-D369 IonicContact NH1-OD1 3.92Å; R346-D369 PolarHBondContact NH1-OD1 3.48Å; R346-D369 IonicContact NH1-OD2 2.62Å; R346-D369 PolarHBondContact NH1-OD2 3.48Å; R346-D369 IonicContact NH2-OD1 3.79Å; R346-D369 IonicContact NH2-OD2 3.98Å; R346-D369 PolarHBondContact NH2-OD2 3.21Å
347L97.1Very high97.9Very high10 Ų1034.7 Ų34.75%0.05218%0.181CC..  trans-64.2120.1173.8-68.9177.6000110.7F236 K274 A278 F306 G344 S345 K349 L350F236-L347 HydrophobicContact CD1-CD1 3.76Å; F236-L347 HydrophobicContact CD2-CD1 3.92Å; F236-L347 HydrophobicContact CE1-CD1 3.76Å; F236-L347 HydrophobicContact CE2-CD1 3.94Å; F236-L347 HydrophobicContact CG-CD1 3.85Å; F236-L347 HydrophobicContact CZ-CD1 3.86Å; K274-L347 HydrophobicContact CD-CD2 4.42Å; K274-L347 HydrophobicContact CG-CD2 4.02Å; A278-L347 HydrophobicContact CB-CD2 4.23Å; F306-L347 HydrophobicContact CE1-CD2 3.94Å; F306-L347 HydrophobicContact CZ-CD2 4.4Å; G344-L347 PolarHBondContact O-N 3.32Å; S345-L347 VanDerWaalsContact C-N 3.26Å; S345-L347 PolarHBondContact O-N 3.06Å; L347-K349 VanDerWaalsContact C-N 3.26Å; L347-K349 PolarHBondContact O-N 3.18Å; L347-L350 HydrophobicContact CB-CD1 3.94Å; L347-L350 HydrophobicContact CB-CG 4.02Å; L347-L350 HydrophobicContact CD1-CD1 4.41Å; L347-L350 WeakPolarHBondContact O-CB 3.39Å; L347-L350 PolarHBondContact O-N 3.26Å; L347-L350 VanDerWaalsContact O-N 3.08Å
348P96.8Very high97.9Very high36 Ų3634 Ų3423%0.23418%0.176CC..Hα-helixtrans-56.8-36.6-176.5-28.135.8000114A278 R346 L350 K351 S352A278-P348 VanDerWaalsContact O-CG 3.29Å; A278-P348 WeakPolarHBondContact O-CG 3.23Å; R346-P348 WeakPolarHBondContact O-CD 2.96Å; P348-L350 PolarHBondContact O-N 3.5Å; P348-K351 WeakPolarHBondContact O-CB 3.46Å; P348-K351 PolarHBondContact O-N 3.09Å; P348-S352 PolarHBondContact O-N 3.08Å; P348-S352 PolarHBondContact O-OG 3.32Å
349K98Very high97.8Very high73 Ų7336.8 Ų36.832%0.31720%0.204SC..Hα-helixtrans-58.8-34179-173.660.3176.2-179.10113.3E307 F314 L347 K351 S352 I353E307-K349 HydrophobicContact CG-CB 4.1Å; E307-K349 HydrophobicContact CG-CG 4.38Å; F314-K349 HydrophobicContact CD1-CB 4.3Å; F314-K349 HydrophobicContact CD1-CG 3.78Å; F314-K349 HydrophobicContact CD2-CG 4.04Å; F314-K349 HydrophobicContact CE1-CB 3.67Å; F314-K349 HydrophobicContact CE1-CG 3.62Å; F314-K349 HydrophobicContact CE2-CB 4.33Å; F314-K349 HydrophobicContact CE2-CG 3.89Å; F314-K349 HydrophobicContact CG-CG 4Å; F314-K349 HydrophobicContact CZ-CB 3.69Å; F314-K349 HydrophobicContact CZ-CG 3.68Å; L347-K349 VanDerWaalsContact C-N 3.26Å; L347-K349 PolarHBondContact O-N 3.18Å; K349-K351 VanDerWaalsContact C-N 3.34Å; K349-K351 PolarHBondContact O-N 3.41Å; K349-S352 PolarHBondContact O-N 2.93Å; K349-I353 HydrophobicContact CG-CD1 4.07Å; K349-I353 VanDerWaalsContact O-CG1 3.31Å; K349-I353 WeakPolarHBondContact O-CG1 3.45Å; K349-I353 PolarHBondContact O-N 3.38Å
350L98.3Very high97.7Very high2 Ų239.4 Ų39.41%0.0122%0.216CC..Hα-helixtrans-64.1-40.5176.2-62.7175.5000111.1V203 F314 F317 G344 L347 P348 S352 I353 V354V203-L350 HydrophobicContact CG1-CD1 4.3Å; V203-L350 HydrophobicContact CG2-CD1 4.18Å; F314-L350 HydrophobicContact CD1-CD2 3.82Å; F314-L350 HydrophobicContact CE1-CD2 3.83Å; F314-L350 HydrophobicContact CE1-CG 4.18Å; F317-L350 HydrophobicContact CB-CD2 4.23Å; F317-L350 HydrophobicContact CD1-CD2 3.6Å; F317-L350 HydrophobicContact CD2-CD2 3.89Å; F317-L350 HydrophobicContact CE1-CB 4.15Å; F317-L350 HydrophobicContact CE1-CD2 3.81Å; F317-L350 HydrophobicContact CE2-CD2 4.1Å; F317-L350 HydrophobicContact CG-CD2 3.63Å; F317-L350 HydrophobicContact CZ-CB 4.24Å; F317-L350 HydrophobicContact CZ-CD2 4.06Å; G344-L350 VanDerWaalsContact O-CD1 3.3Å; G344-L350 WeakPolarHBondContact O-CD1 3.47Å; L347-L350 HydrophobicContact CB-CD1 3.94Å; L347-L350 HydrophobicContact CB-CG 4.02Å; L347-L350 HydrophobicContact CD1-CD1 4.41Å; L347-L350 WeakPolarHBondContact O-CB 3.39Å; L347-L350 PolarHBondContact O-N 3.26Å; L347-L350 VanDerWaalsContact O-N 3.08Å; P348-L350 PolarHBondContact O-N 3.5Å; L350-S352 VanDerWaalsContact C-N 3.34Å; L350-S352 PolarHBondContact O-N 3.03Å; L350-I353 PolarHBondContact O-N 3.08Å; L350-V354 WeakPolarHBondContact O-CG2 3.43Å; L350-V354 PolarHBondContact O-N 3.39Å
351K97.7Very high97.7Very high74 Ų7444.7 Ų44.732%0.32224%0.241SC..Hα-helixtrans-61.8-43.7176.1-59.9-174.5177.1-174.50111.5L340 P348 K349 I353 V354 K355 P362L340-K351 HydrophobicContact CD1-CD 4.43Å; L340-K351 HydrophobicContact CD1-CG 3.76Å; P348-K351 WeakPolarHBondContact O-CB 3.46Å; P348-K351 PolarHBondContact O-N 3.09Å; K349-K351 VanDerWaalsContact C-N 3.34Å; K349-K351 PolarHBondContact O-N 3.41Å; K351-I353 VanDerWaalsContact C-N 3.34Å; K351-I353 PolarHBondContact O-N 3.36Å; K351-V354 PolarHBondContact O-N 3.05Å; K351-K355 PolarHBondContact O-N 2.8Å; K351-P362 HydrophobicContact CB-CG 3.84Å; K351-P362 HydrophobicContact CG-CG 4.07Å
352S97.9Very high97.6Very high67 Ų6745.3 Ų45.347%0.46924%0.244SC..Hα-helixtrans-60.4-43.1176.4-55.80000112P348 K349 L350 K355 E356P348-S352 PolarHBondContact O-N 3.08Å; P348-S352 PolarHBondContact O-OG 3.32Å; K349-S352 PolarHBondContact O-N 2.93Å; L350-S352 VanDerWaalsContact C-N 3.34Å; L350-S352 PolarHBondContact O-N 3.03Å; S352-K355 PolarHBondContact O-N 3.43Å; S352-E356 WeakPolarHBondContact O-CB 3.3Å; S352-E356 PolarHBondContact O-N 3.43Å
353I98.6Very high97.6Very high5 Ų547.2 Ų47.23%0.02626%0.256CS..Hα-helixtrans-66.5-40.6178.1-67.1164.2000111.3F314 F317 S318 L321 K349 L350 K351 K355 E356 I357F314-I353 HydrophobicContact CB-CD1 3.69Å; F314-I353 HydrophobicContact CD1-CD1 3.66Å; F314-I353 HydrophobicContact CG-CD1 3.93Å; F317-I353 HydrophobicContact CD1-CB 4.21Å; F317-I353 HydrophobicContact CD1-CD1 4.36Å; F317-I353 HydrophobicContact CD1-CG2 3.79Å; F317-I353 HydrophobicContact CE1-CB 4.28Å; F317-I353 HydrophobicContact CE1-CG2 4.1Å; S318-I353 VanDerWaalsContact OG-CG2 3.24Å; S318-I353 WeakPolarHBondContact OG-CG2 3.22Å; L321-I353 HydrophobicContact CD1-CG2 3.82Å; K349-I353 HydrophobicContact CG-CD1 4.07Å; K349-I353 VanDerWaalsContact O-CG1 3.31Å; K349-I353 WeakPolarHBondContact O-CG1 3.45Å; K349-I353 PolarHBondContact O-N 3.38Å; L350-I353 PolarHBondContact O-N 3.08Å; K351-I353 VanDerWaalsContact C-N 3.34Å; K351-I353 PolarHBondContact O-N 3.36Å; I353-K355 VanDerWaalsContact C-N 3.34Å; I353-K355 PolarHBondContact O-N 3.22Å; I353-E356 PolarHBondContact O-N 3.08Å; I353-I357 HydrophobicContact CG2-CD1 3.71Å; I353-I357 HydrophobicContact CG2-CG1 4.37Å; I353-I357 PolarHBondContact O-N 3Å
354V98.6Very high97.5Very high0 Ų048.7 Ų48.70%026%0.258CS..Hα-helixtrans-58.9-47.5174.61690000110.7I201 F317 L321 V338 L340 L350 K351 E356 I357 L358 P362I201-V354 HydrophobicContact CD1-CG1 4.33Å; I201-V354 HydrophobicContact CD1-CG2 3.41Å; I201-V354 VanDerWaalsContact CD1-CG2 3.41Å; F317-V354 HydrophobicContact CE1-CG2 3.88Å; F317-V354 HydrophobicContact CZ-CG2 3.9Å; L321-V354 HydrophobicContact CD1-CG2 4.1Å; L321-V354 HydrophobicContact CD2-CG2 4.32Å; V338-V354 HydrophobicContact CB-CG1 4.25Å; V338-V354 HydrophobicContact CG1-CG1 3.84Å; V338-V354 HydrophobicContact CG2-CG1 4.39Å; L340-V354 HydrophobicContact CD2-CG2 4.44Å; L350-V354 WeakPolarHBondContact O-CG2 3.43Å; L350-V354 PolarHBondContact O-N 3.39Å; K351-V354 PolarHBondContact O-N 3.05Å; V354-E356 VanDerWaalsContact C-N 3.32Å; V354-E356 PolarHBondContact O-N 3.23Å; V354-I357 PolarHBondContact O-N 3.27Å; V354-L358 HydrophobicContact CG1-CD1 4.28Å; V354-L358 WeakPolarHBondContact O-CA 3.41Å; V354-L358 WeakPolarHBondContact O-CB 3.43Å; V354-L358 PolarHBondContact O-N 2.71Å; V354-P362 HydrophobicContact CB-CB 4.47Å; V354-P362 HydrophobicContact CB-CG 4.25Å; V354-P362 HydrophobicContact CG1-CB 3.95Å; V354-P362 HydrophobicContact CG1-CG 4.09Å
355K98.2Very high97.4Very high115 Ų11552.9 Ų52.950%0.528%0.282SS..Hα-helixtrans-61.8-40.8177.7-175.2175.9-171.5154.40112.4K351 S352 I353 G359 K360 E361K351-K355 PolarHBondContact O-N 2.8Å; S352-K355 PolarHBondContact O-N 3.43Å; I353-K355 VanDerWaalsContact C-N 3.34Å; I353-K355 PolarHBondContact O-N 3.22Å; K355-G359 WeakPolarHBondContact O-CA 3.48Å; K355-G359 PolarHBondContact O-N 2.81Å; K355-K360 WeakPolarHBondContact CA-O 3.26Å; K355-E361 WeakPolarHBondContact CD-OE2 3.23Å; K355-E361 WeakPolarHBondContact CE-OE2 3.35Å; K355-E361 IonicContact NZ-OE2 2.92Å; K355-E361 PolarHBondContact NZ-OE2 2.87Å
356E98.2Very high97.4Very high149 Ų14953.8 Ų53.870%0.69629%0.287SS*.Hα-helixtrans-63.6-47178.1-176.3-172.9154.600112.2S352 I353 V354S352-E356 WeakPolarHBondContact O-CB 3.3Å; S352-E356 PolarHBondContact O-N 3.43Å; I353-E356 PolarHBondContact O-N 3.08Å; V354-E356 VanDerWaalsContact C-N 3.32Å; V354-E356 PolarHBondContact O-N 3.23Å
357I98.1Very high97.3Very high29 Ų2952.1 Ų52.115%0.14929%0.285CS..Hα-helixtrans-87.6-40.9-171.8-65.4177.4000112.4S318 L321 K322 I353 V354S318-I357 VanDerWaalsContact CA-CD1 3.5Å; S318-I357 VanDerWaalsContact CB-CD1 3.46Å; L321-I357 HydrophobicContact CB-CB 4.41Å; L321-I357 HydrophobicContact CB-CD1 4.3Å; L321-I357 HydrophobicContact CB-CG2 3.8Å; L321-I357 HydrophobicContact CD1-CB 4.29Å; L321-I357 HydrophobicContact CD1-CD1 4.03Å; K322-I357 HydrophobicContact CG-CG2 4.17Å; I353-I357 HydrophobicContact CG2-CD1 3.71Å; I353-I357 HydrophobicContact CG2-CG1 4.37Å; I353-I357 PolarHBondContact O-N 3Å; V354-I357 PolarHBondContact O-N 3.27Å
358L98.1Very high97.4Very high0 Ų053.1 Ų53.10%029%0.29CS..Hα-helixtrans-99.2-4.8-176.7-58.9-175.7000112.8I199 L321 L325 V332 V338 V354 K360I199-L358 HydrophobicContact CD1-CD1 3.88Å; I199-L358 HydrophobicContact CD1-CD2 4.23Å; I199-L358 HydrophobicContact CG2-CD1 4.38Å; L321-L358 HydrophobicContact CD2-CD1 3.85Å; L321-L358 HydrophobicContact CD2-CG 4.35Å; L325-L358 HydrophobicContact CD1-CD2 3.83Å; L325-L358 HydrophobicContact CD2-CD2 4.19Å; L325-L358 HydrophobicContact CG-CD2 4.09Å; V332-L358 VanDerWaalsContact CG1-C 3.47Å; V332-L358 WeakPolarHBondContact CG1-O 3.3Å; V338-L358 HydrophobicContact CG1-CD1 4.22Å; V338-L358 HydrophobicContact CG2-CB 4.32Å; V338-L358 HydrophobicContact CG2-CD1 3.63Å; V354-L358 HydrophobicContact CG1-CD1 4.28Å; V354-L358 WeakPolarHBondContact O-CA 3.41Å; V354-L358 WeakPolarHBondContact O-CB 3.43Å; V354-L358 PolarHBondContact O-N 2.71Å; L358-K360 WeakPolarHBondContact O-CG 3.14Å; L358-K360 PolarHBondContact O-N 3.29Å
359G97.1Very high97.4Very high57 Ų5753.6 Ų53.659%0.58829%0.29SS*.  trans60.715.3178.900000114.5K355K355-G359 WeakPolarHBondContact O-CA 3.48Å; K355-G359 PolarHBondContact O-N 2.81Å
360K96.4Very high97.4Very high59 Ų5950.4 Ų50.426%0.25728%0.277SS..SBendtrans-118.3142.3-179.6-57.9-56.9170.4159.50110.3I335 V338 K355 L358 P362I335-K360 WeakPolarHBondContact O-CE 3.4Å; I335-K360 PolarHBondContact O-NZ 2.6Å; V338-K360 HydrophobicContact CG2-CB 3.89Å; V338-K360 HydrophobicContact CG2-CG 4.14Å; K355-K360 WeakPolarHBondContact CA-O 3.26Å; L358-K360 WeakPolarHBondContact O-CG 3.14Å; L358-K360 PolarHBondContact O-N 3.29Å; K360-P362 WeakPolarHBondContact O-CD 3.31Å
361E97Very high97.4Very high112 Ų11250.4 Ų50.452%0.52328%0.277SS..PPolyproline II helixtrans-72.7118.4166.7-165.165.4-135.500108.5K355 C363K355-E361 WeakPolarHBondContact CD-OE2 3.23Å; K355-E361 WeakPolarHBondContact CE-OE2 3.35Å; K355-E361 IonicContact NZ-OE2 2.92Å; K355-E361 PolarHBondContact NZ-OE2 2.87Å; E361-C363 PolarHBondContact O-N 2.95Å
362P96.8Very high97.4Very high13 Ų1347.4 Ų47.48%0.08426%0.264CS..PPolyproline II helixtrans-66.1131.8179.821.8-28.6000111.4L340 K351 V354 K360L340-P362 HydrophobicContact CD1-CB 3.66Å; L340-P362 HydrophobicContact CD1-CG 4.1Å; L340-P362 HydrophobicContact CD2-CB 4.18Å; L340-P362 HydrophobicContact CG-CB 3.71Å; K351-P362 HydrophobicContact CB-CG 3.84Å; K351-P362 HydrophobicContact CG-CG 4.07Å; V354-P362 HydrophobicContact CB-CB 4.47Å; V354-P362 HydrophobicContact CB-CG 4.25Å; V354-P362 HydrophobicContact CG1-CB 3.95Å; V354-P362 HydrophobicContact CG1-CG 4.09Å; K360-P362 WeakPolarHBondContact O-CD 3.31Å
363C97.5Very high97.5Very high48 Ų4844.2 Ų44.232%0.32424%0.242SC..BIsolated β-bridgetrans-90.6154.8176.8-62.80000110.9V338 E339 L340 E361V338-C363 WeakPolarHBondContact O-CB 3.47Å; V338-C363 PolarHBondContact O-N 3.04Å; E339-C363 WeakPolarHBondContact CA-O 3.3Å; E339-C363 VanDerWaalsContact CD-CB 3.48Å; E339-C363 VanDerWaalsContact OE1-CB 3.29Å; E339-C363 WeakPolarHBondContact OE1-CB 3.38Å; E339-C363 WeakPolarHBondContact OE2-CB 3.45Å; L340-C363 PolarHBondContact N-O 2.92Å; E361-C363 PolarHBondContact O-N 2.95Å
364T95.7Very high97.4Very high68 Ų6847.8 Ų47.842%0.41726%0.255SS..  trans-126.346.7170.356.70000108.5L340 L366 Q368L340-T364 HydrophobicContact CB-CG2 4.28Å; T364-L366 PolarHBondContact O-N 2.84Å; T364-Q368 HydrophobicContact CG2-CG 4.47Å
365T95Very high97.4Very high96 Ų9647.8 Ų47.859%0.58926%0.255SS*.  trans-64.4-34.7-179-50.30000110.1E339E339-T365 VanDerWaalsContact OE1-CB 3.28Å; E339-T365 WeakPolarHBondContact OE1-CB 3.48Å; E339-T365 PolarHBondContact OE1-OG1 3.25Å; E339-T365 WeakPolarHBondContact OE2-CB 3.39Å; E339-T365 PolarHBondContact OE2-N 2.81Å; E339-T365 PolarHBondContact OE2-OG1 2.85Å
366L96.2Very high97.4Very high18 Ų1842.3 Ų42.39%0.09423%0.232CC..SBendtrans-82.3146.5174-54.8-177.3000110.8V177 T180 Y181 F200 V341 T364 Q368 A371V177-L366 HydrophobicContact CG1-CD1 3.63Å; T180-L366 HydrophobicContact CG2-CD2 4.14Å; Y181-L366 HydrophobicContact CD2-CD2 4.26Å; Y181-L366 HydrophobicContact CD2-CG 4.46Å; F200-L366 HydrophobicContact CD1-CD1 4.3Å; F200-L366 HydrophobicContact CE1-CD1 4.04Å; V341-L366 HydrophobicContact CG1-CB 4Å; V341-L366 HydrophobicContact CG1-CD1 3.93Å; T364-L366 PolarHBondContact O-N 2.84Å; L366-Q368 PolarHBondContact O-N 3.19Å; L366-Q368 VanDerWaalsContact O-N 3.17Å; L366-A371 HydrophobicContact CB-CB 4.28Å; L366-A371 HydrophobicContact CD1-CB 4.23Å
367N96.9Very high97.4Very high64 Ų6435.2 Ų35.234%0.34220%0.198SC..  trans-62.8120162.8-179.6-42.7000108.4D369 E370 A371N367-D369 VanDerWaalsContact C-N 3.27Å; N367-D369 PolarHBondContact O-N 2.96Å; N367-D369 PolarHBondContact OD1-N 3.48Å; N367-E370 HydrophobicContact CB-CB 4.04Å; N367-E370 PolarHBondContact ND2-OE1 2.73Å; N367-E370 PolarHBondContact ND2-OE2 2.67Å; N367-E370 PolarHBondContact O-N 3.27Å; N367-E370 PolarHBondContact OD1-N 3.05Å; N367-E370 VanDerWaalsContact OD1-N 3.15Å; N367-A371 WeakPolarHBondContact O-CB 3.34Å; N367-A371 PolarHBondContact O-N 2.72Å
368Q97.4Very high97.3Very high30 Ų3034 Ų3414%0.1419%0.192CC..THydrogen-bonded Turntrans-65.1-28.4-171.8-57.8177.1-80.900113.2G342 S345 T364 L366G342-Q368 WeakPolarHBondContact CA-O 3.34Å; G342-Q368 PolarHBondContact N-O 2.91Å; S345-Q368 PolarHBondContact OG-NE2 3.15Å; T364-Q368 HydrophobicContact CG2-CG 4.47Å; L366-Q368 PolarHBondContact O-N 3.19Å; L366-Q368 VanDerWaalsContact O-N 3.17Å
369D97.8Very high97.3Very high46 Ų4634.4 Ų34.425%0.24619%0.194CC..THydrogen-bonded Turntrans-94.7-26.6-178.1-57.3-47000112.5Y14 R346 N367Y14-D369 WeakPolarHBondContact CD2-O 3.38Å; Y14-D369 HydrophobicContact CE1-CB 4.21Å; Y14-D369 HydrophobicContact CE2-CB 4.13Å; R346-D369 IonicContact CZ-OD1 3.87Å; R346-D369 IonicContact CZ-OD2 2.77Å; R346-D369 IonicContact NH1-OD1 3.92Å; R346-D369 PolarHBondContact NH1-OD1 3.48Å; R346-D369 IonicContact NH1-OD2 2.62Å; R346-D369 PolarHBondContact NH1-OD2 3.48Å; R346-D369 IonicContact NH2-OD1 3.79Å; R346-D369 IonicContact NH2-OD2 3.98Å; R346-D369 PolarHBondContact NH2-OD2 3.21Å; N367-D369 VanDerWaalsContact C-N 3.27Å; N367-D369 PolarHBondContact O-N 2.96Å; N367-D369 PolarHBondContact OD1-N 3.48Å
370E97.7Very high97.3Very high7 Ų731.7 Ų31.73%0.03317%0.166CC..THydrogen-bonded Turntrans-101.2-10-169.9-66.5177.4-168.200114.2Y14 V25 R33 N367 V372 A373 R374Y14-E370 HydrophobicContact CD1-CG 4.49Å; V25-E370 HydrophobicContact CB-CG 4.22Å; V25-E370 HydrophobicContact CG1-CG 4.17Å; V25-E370 HydrophobicContact CG2-CB 3.85Å; V25-E370 HydrophobicContact CG2-CG 3.8Å; V25-E370 WeakPolarHBondContact CG2-OE2 3.41Å; R33-E370 WeakPolarHBondContact CD-OE1 3.28Å; R33-E370 IonicContact CZ-OE1 3.3Å; R33-E370 IonicContact NE-OE1 2.71Å; R33-E370 IonicContact NH1-OE1 3.5Å; R33-E370 PolarHBondContact NH1-OE1 3.4Å; R33-E370 IonicContact NH1-OE2 3.49Å; N367-E370 HydrophobicContact CB-CB 4.04Å; N367-E370 PolarHBondContact ND2-OE1 2.73Å; N367-E370 PolarHBondContact ND2-OE2 2.67Å; N367-E370 PolarHBondContact O-N 3.27Å; N367-E370 PolarHBondContact OD1-N 3.05Å; N367-E370 VanDerWaalsContact OD1-N 3.15Å; E370-V372 VanDerWaalsContact C-N 3.3Å; E370-V372 PolarHBondContact O-N 3.45Å; E370-A373 PolarHBondContact O-N 3.39Å; E370-R374 HydrophobicContact CB-CG 4.49Å; E370-R374 WeakPolarHBondContact O-CG 3.46Å; E370-R374 PolarHBondContact O-N 3.1Å; E370-R374 IonicContact OE2-CZ 3.83Å; E370-R374 IonicContact OE2-NE 3.01Å; E370-R374 PolarHBondContact OE2-NE 3.31Å; E370-R374 VanDerWaalsContact OE2-NE 3.14Å; E370-R374 IonicContact OE2-NH2 3.81Å; E370-R374 PolarHBondContact OE2-NH2 3.39Å
371A98.1Very high97.2Very high2 Ų229 Ų292%0.01715%0.154CC..Hα-helixtrans-58.5-38.1-169.400000113.7V177 T180 V341 L366 N367 G375V177-A371 HydrophobicContact CG1-CB 4.44Å; V177-A371 HydrophobicContact CG2-CB 4.03Å; T180-A371 PolarHBondContact OG1-O 3.23Å; V341-A371 HydrophobicContact CB-CB 4.45Å; V341-A371 HydrophobicContact CG1-CB 3.87Å; L366-A371 HydrophobicContact CB-CB 4.28Å; L366-A371 HydrophobicContact CD1-CB 4.23Å; N367-A371 WeakPolarHBondContact O-CB 3.34Å; N367-A371 PolarHBondContact O-N 2.72Å; A371-G375 PolarHBondContact O-N 2.84Å; A371-G375 VanDerWaalsContact O-N 3.11Å
372V98.7Very high97Very high10 Ų1026.5 Ų26.56%0.06114%0.144CC..Hα-helixtrans-67.4-53.4177.91760000110.4D7 E173 A176 V177 E370 R374 G375 C376D7-V372 HydrophobicContact CB-CB 4.04Å; D7-V372 HydrophobicContact CB-CG1 3.77Å; E173-V372 HydrophobicContact CB-CG1 4.29Å; E173-V372 HydrophobicContact CB-CG2 4.18Å; E173-V372 HydrophobicContact CG-CG1 3.9Å; E173-V372 HydrophobicContact CG-CG2 4.44Å; A176-V372 HydrophobicContact CB-CG1 4.3Å; V177-V372 HydrophobicContact CG2-CG2 3.78Å; E370-V372 VanDerWaalsContact C-N 3.3Å; E370-V372 PolarHBondContact O-N 3.45Å; V372-R374 VanDerWaalsContact C-N 3.3Å; V372-R374 PolarHBondContact O-N 2.68Å; V372-G375 WeakPolarHBondContact O-CA 3.41Å; V372-G375 PolarHBondContact O-N 3.37Å; V372-C376 PolarHBondContact O-N 3.24Å
373A98.6Very high96.9Very high0 Ų029.6 Ų29.60%016%0.16CC..Hα-helixtrans-57.1-44.6-179.300000111.4D7 E370 G375 C376 T377D7-A373 HydrophobicContact CB-CB 3.9Å; E370-A373 PolarHBondContact O-N 3.39Å; A373-G375 VanDerWaalsContact C-N 3.31Å; A373-G375 PolarHBondContact O-N 3.18Å; A373-C376 PolarHBondContact O-N 3.12Å; A373-T377 PolarHBondContact O-N 3Å; A373-T377 PolarHBondContact O-OG1 3.28Å
374R97.8Very high96.6Very high80 Ų8027.8 Ų27.830%0.30215%0.148SC..Hα-helixtrans-59.6-40.6175.5-70.7174.1177.7-1180.4112.3I23 V25 T180 E370 V372 T377 L378I23-R374 HydrophobicContact CG2-CB 4.33Å; I23-R374 HydrophobicContact CG2-CG 4.07Å; V25-R374 HydrophobicContact CG2-CG 4.06Å; T180-R374 HydrophobicContact CG2-CB 3.93Å; E370-R374 HydrophobicContact CB-CG 4.49Å; E370-R374 WeakPolarHBondContact O-CG 3.46Å; E370-R374 PolarHBondContact O-N 3.1Å; E370-R374 IonicContact OE2-CZ 3.83Å; E370-R374 IonicContact OE2-NE 3.01Å; E370-R374 PolarHBondContact OE2-NE 3.31Å; E370-R374 VanDerWaalsContact OE2-NE 3.14Å; E370-R374 IonicContact OE2-NH2 3.81Å; E370-R374 PolarHBondContact OE2-NH2 3.39Å; V372-R374 VanDerWaalsContact C-N 3.3Å; V372-R374 PolarHBondContact O-N 2.68Å; R374-T377 PolarHBondContact O-N 2.68Å; R374-L378 WeakPolarHBondContact O-CB 3.43Å; R374-L378 WeakPolarHBondContact O-CG 3.28Å; R374-L378 PolarHBondContact O-N 3.34Å
375G98Very high96.2Very high0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-67.4-40.817900000112.1A176 T180 A371 V372 A373 L378 Q379A176-G375 VanDerWaalsContact O-CA 3.29Å; A176-G375 WeakPolarHBondContact O-CA 3.45Å; T180-G375 WeakPolarHBondContact OG1-CA 3.37Å; T180-G375 PolarHBondContact OG1-N 3.48Å; A371-G375 PolarHBondContact O-N 2.84Å; A371-G375 VanDerWaalsContact O-N 3.11Å; V372-G375 WeakPolarHBondContact O-CA 3.41Å; V372-G375 PolarHBondContact O-N 3.37Å; A373-G375 VanDerWaalsContact C-N 3.31Å; A373-G375 PolarHBondContact O-N 3.18Å; G375-L378 WeakPolarHBondContact O-CB 3.14Å; G375-L378 PolarHBondContact O-N 2.84Å; G375-Q379 WeakPolarHBondContact O-CB 3.43Å; G375-Q379 PolarHBondContact O-N 3.19Å
376C98.7Very high95.7Very high0 Ų030.2 Ų30.20%016%0.164CC..Hα-helixtrans-62.7-42.8172-68.60000111.4V141 G143 V372 A373 L378 Q379 C380V141-C376 HydrophobicContact CB-CB 4.32Å; V141-C376 WeakPolarHBondContact CB-O 3.46Å; V141-C376 HydrophobicContact CG1-CB 3.9Å; G143-C376 VanDerWaalsContact CA-SG 3.57Å; G143-C376 PolarHBondContact N-SG 3.45Å; V372-C376 PolarHBondContact O-N 3.24Å; A373-C376 PolarHBondContact O-N 3.12Å; C376-L378 PolarHBondContact O-N 3.11Å; C376-Q379 PolarHBondContact O-N 2.86Å; C376-C380 WeakPolarHBondContact O-CB 3.11Å; C376-C380 PolarHBondContact O-N 3.36Å
377T98Very high95.2Very high0 Ų032.7 Ų32.70%018%0.175CC..Hα-helixtrans-64.1-41.7176.4-51.50000111.6V3 G5 G16 A18 I23 A373 R374 Q379 C380 A381V3-T377 HydrophobicContact CG1-CG2 4.01Å; V3-T377 WeakPolarHBondContact CG1-O 3.49Å; G5-T377 WeakPolarHBondContact CA-OG1 3.48Å; G5-T377 PolarHBondContact N-OG1 3.15Å; G16-T377 WeakPolarHBondContact CA-OG1 3.43Å; G16-T377 PolarHBondContact O-OG1 3.25Å; A18-T377 HydrophobicContact CB-CG2 4.25Å; I23-T377 HydrophobicContact CD1-CG2 3.97Å; I23-T377 HydrophobicContact CG1-CG2 3.89Å; I23-T377 HydrophobicContact CG2-CG2 3.91Å; A373-T377 PolarHBondContact O-N 3Å; A373-T377 PolarHBondContact O-OG1 3.28Å; R374-T377 PolarHBondContact O-N 2.68Å; T377-Q379 VanDerWaalsContact C-N 3.34Å; T377-Q379 PolarHBondContact O-N 3.3Å; T377-C380 WeakPolarHBondContact O-CB 3.36Å; T377-C380 PolarHBondContact O-N 3.35Å; T377-A381 WeakPolarHBondContact O-CB 3.24Å; T377-A381 PolarHBondContact O-N 3.22Å
378L96.2Very high94.6Very high4 Ų441.3 Ų41.32%0.02120%0.202CC..Hα-helixtrans-58.4-45.8173.3-79.5168.9000111.7I23 L179 I183 Y184 R374 G375 C376 C380 A381 I382I23-L378 HydrophobicContact CD1-CB 4.12Å; I23-L378 HydrophobicContact CD1-CD1 4.47Å; I23-L378 HydrophobicContact CD1-CD2 3.29Å; I23-L378 HydrophobicContact CD1-CG 3.3Å; L179-L378 HydrophobicContact CD2-CB 3.85Å; L179-L378 HydrophobicContact CG-CB 4.09Å; L179-L378 HydrophobicContact CG-CD1 4.21Å; I183-L378 HydrophobicContact CD1-CD2 3.91Å; I183-L378 HydrophobicContact CG2-CD1 3.67Å; I183-L378 HydrophobicContact CG2-CD2 3.81Å; I183-L378 HydrophobicContact CG2-CG 4.39Å; Y184-L378 HydrophobicContact CE2-CD1 4.46Å; Y184-L378 HydrophobicContact CE2-CD2 4.3Å; Y184-L378 WeakPolarHBondContact OH-CD2 3.45Å; R374-L378 WeakPolarHBondContact O-CB 3.43Å; R374-L378 WeakPolarHBondContact O-CG 3.28Å; R374-L378 PolarHBondContact O-N 3.34Å; G375-L378 WeakPolarHBondContact O-CB 3.14Å; G375-L378 PolarHBondContact O-N 2.84Å; C376-L378 PolarHBondContact O-N 3.11Å; L378-C380 VanDerWaalsContact C-N 3.32Å; L378-C380 PolarHBondContact O-N 2.87Å; L378-A381 WeakPolarHBondContact O-CB 3.5Å; L378-A381 PolarHBondContact O-N 3.46Å; L378-A381 VanDerWaalsContact O-N 3.16Å; L378-I382 WeakPolarHBondContact O-CG1 3.38Å; L378-I382 PolarHBondContact O-N 3.05Å
379Q97.1Very high94Very high9 Ų942.1 Ų42.14%0.04221%0.209CC..Hα-helixtrans-66.2-36.3178.1179.761.486.900111.9V141 K169 L171 L179 G375 C376 T377 A381 I382 L383V141-Q379 HydrophobicContact CG1-CB 4.14Å; V141-Q379 HydrophobicContact CG1-CG 4.07Å; V141-Q379 HydrophobicContact CG2-CG 4.27Å; K169-Q379 HydrophobicContact CD-CG 3.81Å; L171-Q379 HydrophobicContact CD1-CG 4.29Å; L171-Q379 HydrophobicContact CD2-CB 3.74Å; L171-Q379 HydrophobicContact CD2-CG 4.11Å; L179-Q379 HydrophobicContact CD2-CB 3.91Å; G375-Q379 WeakPolarHBondContact O-CB 3.43Å; G375-Q379 PolarHBondContact O-N 3.19Å; C376-Q379 PolarHBondContact O-N 2.86Å; T377-Q379 VanDerWaalsContact C-N 3.34Å; T377-Q379 PolarHBondContact O-N 3.3Å; Q379-A381 VanDerWaalsContact C-N 3.32Å; Q379-I382 PolarHBondContact O-N 3.43Å; Q379-L383 HydrophobicContact CG-CD1 4.42Å; Q379-L383 VanDerWaalsContact O-CG 3.3Å; Q379-L383 WeakPolarHBondContact O-CG 3.45Å; Q379-L383 PolarHBondContact O-N 2.61Å
380C96.8Very high93.5Very high0 Ų046 Ų460%022%0.22CC..Hα-helixtrans-64-40171.9-170.80000110.8V3 V4 V141 C376 T377 L378 I382 L383 S384V3-C380 HydrophobicContact CG1-CB 3.89Å; V4-C380 PolarHBondContact N-SG 3.18Å; V4-C380 VanDerWaalsContact N-SG 3.38Å; V4-C380 WeakPolarHBondContact O-CB 3.38Å; V4-C380 PolarHBondContact O-SG 3.47Å; V141-C380 HydrophobicContact CB-CB 4.1Å; V141-C380 HydrophobicContact CG2-CB 3.68Å; C376-C380 WeakPolarHBondContact O-CB 3.11Å; C376-C380 PolarHBondContact O-N 3.36Å; T377-C380 WeakPolarHBondContact O-CB 3.36Å; T377-C380 PolarHBondContact O-N 3.35Å; L378-C380 VanDerWaalsContact C-N 3.32Å; L378-C380 PolarHBondContact O-N 2.87Å; C380-I382 PolarHBondContact O-N 3.01Å; C380-L383 CarbonylContact O-C 3.58Å; C380-L383 PolarHBondContact O-N 2.63Å; C380-L383 VanDerWaalsContact O-N 3.16Å; C380-S384 PolarHBondContact O-N 3.36Å
381A94.6Very high93.1Very high1 Ų154.2 Ų54.21%0.00826%0.259CS..Hα-helixtrans-62.1-43.4176.400000111.5V3 T377 L378 Q379 L383 S384 F387 V389V3-A381 HydrophobicContact CG1-CB 3.73Å; V3-A381 VanDerWaalsContact CG1-N 3.35Å; T377-A381 WeakPolarHBondContact O-CB 3.24Å; T377-A381 PolarHBondContact O-N 3.22Å; L378-A381 WeakPolarHBondContact O-CB 3.5Å; L378-A381 PolarHBondContact O-N 3.46Å; L378-A381 VanDerWaalsContact O-N 3.16Å; Q379-A381 VanDerWaalsContact C-N 3.32Å; A381-L383 PolarHBondContact O-N 2.86Å; A381-S384 WeakPolarHBondContact O-CB 3.4Å; A381-S384 PolarHBondContact O-N 3.41Å; A381-S384 VanDerWaalsContact O-N 3.11Å; A381-F387 HydrophobicContact CB-CD1 3.83Å; A381-F387 HydrophobicContact CB-CE1 4.28Å; A381-F387 HydrophobicContact CB-CG 4.37Å; A381-V389 HydrophobicContact CB-CG2 3.55Å
382I93.7Very high92.9Very high60 Ų6055.4 Ų55.431%0.30826%0.264SS..Hα-helixtrans-60.6-34.3175.7-69.7166.5000111.8L179 I183 L378 Q379 C380 V389L179-I382 HydrophobicContact CD1-CD1 4.27Å; L179-I382 HydrophobicContact CD2-CD1 4.26Å; I183-I382 HydrophobicContact CD1-CD1 4.1Å; L378-I382 WeakPolarHBondContact O-CG1 3.38Å; L378-I382 PolarHBondContact O-N 3.05Å; Q379-I382 PolarHBondContact O-N 3.43Å; C380-I382 PolarHBondContact O-N 3.01Å; I382-V389 HydrophobicContact CG1-CB 4.17Å; I382-V389 HydrophobicContact CG1-CG1 3.97Å; I382-V389 HydrophobicContact CG1-CG2 4.36Å
383L94Very high92.7Very high78 Ų7856.5 Ų56.541%0.40828%0.277SS..Hα-helixtrans-84.3-10.8178.7-64.8170.1000113V141 L168 K169 Q379 C380 A381V141-L383 HydrophobicContact CG2-CD1 4.11Å; L168-L383 HydrophobicContact CB-CD1 3.99Å; L168-L383 HydrophobicContact CD1-CB 4.41Å; K169-L383 HydrophobicContact CB-CD1 3.88Å; K169-L383 HydrophobicContact CD-CD1 4.39Å; Q379-L383 HydrophobicContact CG-CD1 4.42Å; Q379-L383 VanDerWaalsContact O-CG 3.3Å; Q379-L383 WeakPolarHBondContact O-CG 3.45Å; Q379-L383 PolarHBondContact O-N 2.61Å; C380-L383 CarbonylContact O-C 3.58Å; C380-L383 PolarHBondContact O-N 2.63Å; C380-L383 VanDerWaalsContact O-N 3.16Å; A381-L383 PolarHBondContact O-N 2.86Å
384S90.9Very high92.5Very high10 Ų1058 Ų587%0.0729%0.285CS..  trans-77.8128.5-176.2-174.60000111.1C380 A381 T386 F387C380-S384 PolarHBondContact O-N 3.36Å; A381-S384 WeakPolarHBondContact O-CB 3.4Å; A381-S384 PolarHBondContact O-N 3.41Å; A381-S384 VanDerWaalsContact O-N 3.11Å; S384-T386 PolarHBondContact O-N 3.11Å; S384-T386 PolarHBondContact OG-N 2.97Å; S384-T386 PolarHBondContact OG-OG1 3.4Å; S384-F387 PolarHBondContact OG-N 3.13Å
385P87.3Confident92.5Very high117 Ų11756.9 Ų56.976%0.7629%0.287SS*.SBendtrans-70.8-19.9172.729.6-34.2000112.4
386T85.6Confident92.5Very high98 Ų9857 Ų5760%0.60129%0.288SS*.SBendtrans-97.3-24.2-175.849.80000113.4S384S384-T386 PolarHBondContact O-N 3.11Å; S384-T386 PolarHBondContact OG-N 2.97Å; S384-T386 PolarHBondContact OG-OG1 3.4Å
387F86.2Confident92.3Very high71 Ų7157.5 Ų57.531%0.31129%0.291SS..SBendtrans-101.9112.8-177.7-156.1-80.9000110.1V3 A18 A381 S384 V389V3-F387 HydrophobicContact CG2-CB 3.9Å; V3-F387 HydrophobicContact CG2-CD2 4.22Å; V3-F387 HydrophobicContact CG2-CG 4.21Å; A18-F387 HydrophobicContact CB-CD2 4.14Å; A18-F387 HydrophobicContact CB-CE1 4.45Å; A18-F387 HydrophobicContact CB-CE2 3.61Å; A18-F387 HydrophobicContact CB-CZ 3.79Å; A381-F387 HydrophobicContact CB-CD1 3.83Å; A381-F387 HydrophobicContact CB-CE1 4.28Å; A381-F387 HydrophobicContact CB-CG 4.37Å; S384-F387 PolarHBondContact OG-N 3.13Å; F387-V389 HydrophobicContact CD1-CG2 3.8Å; F387-V389 HydrophobicContact CE1-CG2 4.28Å; F387-V389 PolarHBondContact O-N 2.95Å
388R83.3Confident92.2Very high245 Ų24557.8 Ų57.893%0.92529%0.292SS*.  trans-81.1116.1-179.9-67.3-173.2-177.2-1691.4110.2
389V85.7Confident91.9Very high47 Ų4758.5 Ų58.529%0.28530%0.297SS..  trans-111.6147.1171.1-170.70000108.6I183 A381 I382 F387I183-V389 HydrophobicContact CD1-CG1 3.68Å; A381-V389 HydrophobicContact CB-CG2 3.55Å; I382-V389 HydrophobicContact CG1-CB 4.17Å; I382-V389 HydrophobicContact CG1-CG1 3.97Å; I382-V389 HydrophobicContact CG1-CG2 4.36Å; F387-V389 HydrophobicContact CD1-CG2 3.8Å; F387-V389 HydrophobicContact CE1-CG2 4.28Å; F387-V389 PolarHBondContact O-N 2.95Å
390R86.2Confident91.8Very high127 Ų12758.5 Ų58.548%0.47930%0.297SS..  trans-58.3140.6170.3-179.5178.4174.3-175.6-3.5109.4F392R390-F392 PolarHBondContact O-N 2.89Å
391E89.7Confident91.7Very high180 Ų18058.8 Ų58.884%0.84130%0.298SS*.  trans-54.1124.7174.5-68.7-174.6175.200110.9
392F93.3Very high91.8Very high26 Ų2658.9 Ų58.911%0.11430%0.299CS..  trans-141.7107.6179.1-162.1-94.7000108.9L179 I183 Y215 G218 L220 R390L179-F392 HydrophobicContact CD1-CD1 3.6Å; L179-F392 HydrophobicContact CD1-CE1 3.72Å; I183-F392 HydrophobicContact CB-CD2 4.46Å; I183-F392 HydrophobicContact CD1-CB 4.39Å; I183-F392 HydrophobicContact CG1-CB 4.13Å; I183-F392 HydrophobicContact CG1-CD1 4.45Å; I183-F392 HydrophobicContact CG1-CD2 4Å; I183-F392 HydrophobicContact CG1-CG 3.94Å; Y215-F392 HydrophobicContact CD1-CZ 4.37Å; Y215-F392 HydrophobicContact CE1-CZ 4.28Å; G218-F392 CarbonylContact O-C 3.51Å; G218-F392 WeakPolarHBondContact O-CA 3.48Å; L220-F392 HydrophobicContact CB-CE1 3.48Å; L220-F392 VanDerWaalsContact CB-CE1 3.48Å; L220-F392 HydrophobicContact CB-CZ 3.89Å; L220-F392 HydrophobicContact CD2-CE1 4.34Å; R390-F392 PolarHBondContact O-N 2.89Å
393G94Very high91.9Very high33 Ų3358.6 Ų58.634%0.3430%0.295SS..EExtended strand (participates in β ladder)trans-74.6130.6179.700000111.1G218 K219 L220G218-G393 PolarHBondContact O-N 3.19Å; K219-G393 CarbonylContact C-O 3.46Å; K219-G393 WeakPolarHBondContact CA-O 3.41Å; L220-G393 PolarHBondContact N-O 2.86Å
394L96Very high92.1Very high32 Ų3254.9 Ų54.917%0.16828%0.276CS..EExtended strand (participates in β ladder)trans-127.4121.8-177.8-177.7141.2000109.9T175 L179 L220T175-L394 HydrophobicContact CG2-CD1 3.7Å; T175-L394 HydrophobicContact CG2-CD2 3.94Å; T175-L394 HydrophobicContact CG2-CG 4.04Å; L179-L394 HydrophobicContact CB-CD1 4.36Å; L179-L394 HydrophobicContact CD1-CD1 4.21Å; L179-L394 HydrophobicContact CD2-CD1 4.22Å; L220-L394 HydrophobicContact CD2-CD1 4.14Å; L220-L394 WeakPolarHBondContact O-CA 3.47Å
395T96.7Very high92.2Very high56 Ų5655.9 Ų55.934%0.34428%0.28SS..EExtended strand (participates in β ladder)trans-123.2122.2173.3-56.90000109.3L220 M222 P424L220-T395 PolarHBondContact O-N 3.33Å; M222-T395 PolarHBondContact N-O 3.03Å; T395-P424 HydrophobicContact CG2-CB 3.56Å
396D97.5Very high92.5Very high4 Ų451.8 Ų51.82%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-102.4172.7180-150.7-33.7000110.4N172 T175 P424 F425N172-D396 VanDerWaalsContact ND2-CG 3.33Å; N172-D396 PolarHBondContact ND2-OD1 3.29Å; N172-D396 VanDerWaalsContact ND2-OD1 3.08Å; N172-D396 PolarHBondContact ND2-OD2 2.92Å; N172-D396 VanDerWaalsContact ND2-OD2 3.11Å; T175-D396 VanDerWaalsContact CB-OD2 3.29Å; T175-D396 WeakPolarHBondContact CB-OD2 3.37Å; T175-D396 WeakPolarHBondContact CG2-OD2 3.48Å; T175-D396 PolarHBondContact OG1-OD1 3.06Å; T175-D396 PolarHBondContact OG1-OD2 2.84Å; D396-P424 CarbonylContact O-C 3.58Å; D396-P424 WeakPolarHBondContact O-CA 3.38Å; D396-F425 HydrophobicContact CB-CD1 4.06Å; D396-F425 HydrophobicContact CB-CD2 4.45Å; D396-F425 HydrophobicContact CB-CE1 3.59Å; D396-F425 HydrophobicContact CB-CE2 4.01Å; D396-F425 HydrophobicContact CB-CG 4.47Å; D396-F425 HydrophobicContact CB-CZ 3.56Å; D396-F425 PolarHBondContact N-O 2.95Å; D396-F425 PolarHBondContact O-N 3.34Å
397V96Very high92.5Very high9 Ų950.9 Ų50.96%0.05524%0.241CC..EExtended strand (participates in β ladder)trans-122.1130.5-177.6-69.40000111.7M222 V225 P399 F425M222-V397 HydrophobicContact CB-CG1 4.07Å; M222-V397 HydrophobicContact CB-CG2 4Å; M222-V397 WeakPolarHBondContact O-CG1 3.42Å; V225-V397 HydrophobicContact CG1-CG2 4.14Å; V397-P399 VanDerWaalsContact O-CD 3.29Å; V397-P399 WeakPolarHBondContact O-CD 3.44Å; V397-F425 VanDerWaalsContact C-CD1 3.47Å; V397-F425 VanDerWaalsContact C-CE1 3.43Å; V397-F425 VanDerWaalsContact O-CE1 3.3Å; V397-F425 WeakPolarHBondContact O-CE1 3.37Å
398Q94.5Very high91.9Very high7 Ų749.7 Ų49.73%0.03324%0.24CC..EExtended strand (participates in β ladder)trans-80.5112.7176.6167.662.54.200108.1Y400 G422 H423 F425 I483Q398-Y400 VanDerWaalsContact C-N 3.28Å; Q398-Y400 WeakPolarHBondContact CG-O 3.48Å; Q398-Y400 PolarHBondContact NE2-O 2.89Å; Q398-Y400 VanDerWaalsContact NE2-O 3.08Å; Q398-Y400 PolarHBondContact O-N 3.29Å; Q398-G422 VanDerWaalsContact O-CA 3.29Å; Q398-G422 WeakPolarHBondContact O-CA 3.23Å; Q398-G422 PolarHBondContact O-N 3.39Å; Q398-H423 WeakPolarHBondContact CB-O 3.23Å; Q398-H423 PolarHBondContact N-O 3.49Å; Q398-F425 HydrophobicContact CB-CD1 4.01Å; Q398-I483 HydrophobicContact CB-CD1 3.87Å; Q398-I483 HydrophobicContact CG-CD1 3.58Å
399P91.1Very high91.2Very high19 Ų1943.6 Ų43.612%0.12323%0.226CC..  trans-66.5-30.2-174.923.7-32.9000113W227 V397W227-P399 HydrophobicContact CH2-CB 3.72Å; W227-P399 HydrophobicContact CZ3-CB 3.93Å; V397-P399 VanDerWaalsContact O-CD 3.29Å; V397-P399 WeakPolarHBondContact O-CD 3.44Å
400Y94.1Very high90.1Very high9 Ų946.9 Ų46.94%0.03525%0.246CC..SBendtrans-109.5132.4-172.1-48.7-51.7000112.6F147 T149 W227 Q398 Y445 I451 P452F147-Y400 WeakPolarHBondContact CA-OH 3.29Å; F147-Y400 WeakPolarHBondContact CB-OH 3.15Å; F147-Y400 WeakPolarHBondContact O-CE2 3.33Å; F147-Y400 PolarHBondContact O-OH 3.37Å; T149-Y400 HydrophobicContact CG2-CE2 4.21Å; W227-Y400 AromaticContact CH2-CE1 3.86Å; W227-Y400 HydrophobicContact CH2-CE1 3.86Å; W227-Y400 AromaticContact CZ2-CE1 3.81Å; W227-Y400 HydrophobicContact CZ2-CE1 3.81Å; W227-Y400 AromaticContact CZ2-CZ 3.99Å; W227-Y400 WeakPolarHBondContact CZ2-OH 3.38Å; Q398-Y400 VanDerWaalsContact C-N 3.28Å; Q398-Y400 WeakPolarHBondContact CG-O 3.48Å; Q398-Y400 PolarHBondContact NE2-O 2.89Å; Q398-Y400 VanDerWaalsContact NE2-O 3.08Å; Q398-Y400 PolarHBondContact O-N 3.29Å; Y400-Y445 VanDerWaalsContact CB-CD1 3.44Å; Y400-Y445 HydrophobicContact CD2-CD1 4.38Å; Y400-Y445 AromaticContact CD2-CE1 3.87Å; Y400-Y445 HydrophobicContact CD2-CE1 3.87Å; Y400-Y445 HydrophobicContact CG-CD1 4.24Å; Y400-Y445 HydrophobicContact CG-CE1 4.16Å; Y400-I451 HydrophobicContact CD1-CD1 4.33Å; Y400-I451 HydrophobicContact CD1-CG1 3.73Å; Y400-I451 HydrophobicContact CE1-CB 4.49Å; Y400-I451 HydrophobicContact CE1-CG1 3.94Å; Y400-I451 HydrophobicContact CE2-CG2 4.46Å; Y400-I451 HydrophobicContact CG-CD1 4.16Å; Y400-I451 HydrophobicContact CG-CG1 4.05Å; Y400-P452 VanDerWaalsContact OH-CD 3.26Å; Y400-P452 WeakPolarHBondContact OH-CD 3.31Å
401S95.1Very high88.5Confident5 Ų550.7 Ų50.74%0.03527%0.269CS..  trans-62.6142.8168.345.20000111.7F419 Y445 S446S401-F419 CarbonylContact C-O 3.59Å; S401-F419 WeakPolarHBondContact CA-O 3.26Å; S401-Y445 CarbonylContact O-C 3.59Å; S401-Y445 WeakPolarHBondContact O-CA 3.3Å; S401-Y445 WeakPolarHBondContact O-CD1 3.44Å; S401-S446 PolarHBondContact O-N 3.46Å; S401-S446 WeakPolarHBondContact OG-CB 3.45Å
402I96.7Very high87.1Confident3 Ų344.4 Ų44.42%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-125.8129.9178-58.4176.6000108.8V418 F419 A444 Y445 I458 I483 F489I402-V418 HydrophobicContact CB-CG2 4.19Å; I402-V418 HydrophobicContact CG2-CG2 3.87Å; I402-V418 WeakPolarHBondContact O-CG2 3.47Å; I402-V418 PolarHBondContact O-N 3.13Å; I402-F419 HydrophobicContact CB-CB 4.35Å; I402-F419 HydrophobicContact CB-CD2 4.13Å; I402-F419 HydrophobicContact CD1-CD2 4.31Å; I402-F419 PolarHBondContact N-O 3.35Å; I402-F419 PolarHBondContact O-N 2.69Å; I402-A444 WeakPolarHBondContact CA-O 3.21Å; I402-Y445 HydrophobicContact CD1-CE1 4.37Å; I402-Y445 HydrophobicContact CG1-CD1 3.92Å; I402-Y445 HydrophobicContact CG1-CE1 4.06Å; I402-I458 HydrophobicContact CB-CD1 4.47Å; I402-I458 HydrophobicContact CD1-CD1 3.78Å; I402-I458 HydrophobicContact CG1-CD1 3.85Å; I402-I458 HydrophobicContact CG2-CD1 3.87Å; I402-I483 HydrophobicContact CD1-CD1 4Å; I402-I483 HydrophobicContact CD1-CG1 4.26Å; I402-F489 HydrophobicContact CD1-CB 4.18Å; I402-F489 HydrophobicContact CD1-CD2 4.01Å; I402-F489 HydrophobicContact CD1-CG 4.44Å; I402-F489 HydrophobicContact CG2-CD2 3.93Å; I402-F489 HydrophobicContact CG2-CE2 4.03Å
403K96.3Very high86.1Confident55 Ų5548.8 Ų48.824%0.23928%0.277CS..EExtended strand (participates in β ladder)trans-112.9156.3170.864.9177.7-174.2177.60111.6N405 S416 A443 A444 S446K403-N405 WeakPolarHBondContact CE-OD1 3.35Å; K403-S416 CarbonylContact C-O 3.51Å; K403-S416 WeakPolarHBondContact CA-O 3.2Å; K403-A443 WeakPolarHBondContact O-CA 3.22Å; K403-A444 PolarHBondContact N-O 2.98Å; K403-A444 PolarHBondContact O-N 3.3Å; K403-S446 PolarHBondContact N-OG 3.11Å
404L96.9Very high85.8Confident0 Ų047.9 Ų47.90%027%0.267CS..EExtended strand (participates in β ladder)trans-111135.4166.6-70.9179.5000109.6W406 E415 S416 V418 L431 L441 R442 A443 V481 F489L404-W406 HydrophobicContact CB-CE3 4.11Å; L404-W406 HydrophobicContact CB-CZ3 3.96Å; L404-W406 WeakPolarHBondContact O-CZ3 3.44Å; L404-E415 CarbonylContact O-C 3.58Å; L404-E415 VanDerWaalsContact O-CA 3.29Å; L404-E415 WeakPolarHBondContact O-CA 3.19Å; L404-S416 PolarHBondContact N-O 3.44Å; L404-S416 PolarHBondContact O-N 2.86Å; L404-V418 HydrophobicContact CB-CG1 4.48Å; L404-V418 HydrophobicContact CD1-CG1 3.78Å; L404-V418 HydrophobicContact CG-CG1 3.97Å; L404-V418 HydrophobicContact CG-CG2 4.15Å; L404-L431 HydrophobicContact CD1-CD1 3.54Å; L404-L441 HydrophobicContact CD2-CB 4.5Å; L404-R442 CarbonylContact C-O 3.58Å; L404-R442 WeakPolarHBondContact CA-O 3.36Å; L404-A443 HydrophobicContact CD2-CB 3.68Å; L404-V481 HydrophobicContact CD1-CG1 3.84Å; L404-V481 HydrophobicContact CD1-CG2 4.47Å; L404-F489 HydrophobicContact CD2-CE1 4.28Å; L404-F489 HydrophobicContact CD2-CZ 3.74Å; L404-F489 HydrophobicContact CG-CZ 4.4Å
405N94.8Very high85.7Confident30 Ų3052.7 Ų52.716%0.1629%0.289CS..EExtended strand (participates in β ladder)trans-118142.4171.4-67.397.3000109.5K403 G414 E415 R442K403-N405 WeakPolarHBondContact CE-OD1 3.35Å; N405-G414 CarbonylContact C-O 3.52Å; N405-G414 VanDerWaalsContact CA-O 3.32Å; N405-G414 WeakPolarHBondContact CA-O 3.37Å; N405-E415 WeakPolarHBondContact ND2-CB 3.3Å; N405-R442 HydrophobicContact CB-CB 4.4Å; N405-R442 PolarHBondContact N-O 3.24Å; N405-R442 PolarHBondContact O-N 3Å
406W93.4Very high85.5Confident31 Ų3151.8 Ų51.812%0.11729%0.285CS..EExtended strand (participates in β ladder)trans-151.3151.4176.860.978.5000111.2L404 G414 F433 A440 L441L404-W406 HydrophobicContact CB-CE3 4.11Å; L404-W406 HydrophobicContact CB-CZ3 3.96Å; L404-W406 WeakPolarHBondContact O-CZ3 3.44Å; W406-G414 PolarHBondContact N-O 2.89Å; W406-G414 PolarHBondContact O-N 3.04Å; W406-F433 HydrophobicContact CD2-CD1 4.35Å; W406-F433 AromaticContact CD2-CE1 3.57Å; W406-F433 HydrophobicContact CD2-CE1 3.57Å; W406-F433 HydrophobicContact CD2-CZ 4.4Å; W406-F433 AromaticContact CE2-CE1 3.51Å; W406-F433 AromaticContact CE3-CE1 3.76Å; W406-F433 HydrophobicContact CE3-CE1 3.76Å; W406-F433 HydrophobicContact CE3-CZ 4.18Å; W406-F433 HydrophobicContact CG-CE1 4.25Å; W406-F433 AromaticContact CH2-CE1 3.83Å; W406-F433 HydrophobicContact CH2-CE1 3.83Å; W406-F433 HydrophobicContact CH2-CZ 4.45Å; W406-F433 HydrophobicContact CZ2-CD1 4.33Å; W406-F433 AromaticContact CZ2-CE1 3.66Å; W406-F433 HydrophobicContact CZ2-CE1 3.66Å; W406-F433 AromaticContact CZ3-CE1 3.88Å; W406-F433 HydrophobicContact CZ3-CE1 3.88Å; W406-F433 HydrophobicContact CZ3-CZ 4.21Å; W406-A440 VanDerWaalsContact CB-O 3.28Å; W406-A440 WeakPolarHBondContact CB-O 3.22Å; W406-L441 HydrophobicContact CB-CD2 3.77Å; W406-L441 HydrophobicContact CD2-CD2 4.19Å; W406-L441 HydrophobicContact CE3-CD2 3.92Å; W406-L441 HydrophobicContact CG-CD2 4.15Å
407D84.3Confident85.4Confident79 Ų7956 Ų5642%0.42230%0.304SS..EExtended strand (participates in β ladder)trans-71.1142.7179.2-48.9-18.7000109.1R435 R442D407-R435 PolarHBondContact O-NH2 2.84Å; D407-R442 IonicContact OD1-CZ 3.39Å; D407-R442 IonicContact OD1-NH1 3.05Å; D407-R442 PolarHBondContact OD1-NH1 2.79Å; D407-R442 IonicContact OD1-NH2 2.74Å; D407-R442 IonicContact OD2-NH1 3.43Å
408T73.4Confident85.4Confident47 Ų4755.8 Ų55.829%0.28830%0.303SS..  trans-119.3157.7175.486.50000111.5V410 G412T408-V410 PolarHBondContact O-N 2.75Å; T408-V410 PolarHBondContact OG1-N 3.44Å; T408-V410 PolarHBondContact OG1-O 3.01Å; T408-G412 PolarHBondContact OG1-O 3.25Å
409D69.3Low85.5Confident117 Ų11755.5 Ų55.563%0.62630%0.301SS*.SBendtrans-75.5-8.9177.2-54.9-46.8000112.4
410V61.8Low85.7Confident116 Ų11656.5 Ų56.570%0.70331%0.311SS*.SBendtrans-101.3151.7177.3-167.90000108.1T408 G412T408-V410 PolarHBondContact O-N 2.75Å; T408-V410 PolarHBondContact OG1-N 3.44Å; T408-V410 PolarHBondContact OG1-O 3.01Å; V410-G412 PolarHBondContact O-N 3.12Å
411E52.5Low85.5Confident207 Ų20760 Ų6097%0.96734%0.336SS*.SBendtrans-54.3105.6173-74.5-172.8162.900110.6
412G61.9Low85.3Confident47 Ų4761.5 Ų61.549%0.48535%0.351SS..SBendtrans139.1148.7-178.500000113.6T408 V410T408-G412 PolarHBondContact OG1-O 3.25Å; V410-G412 PolarHBondContact O-N 3.12Å
413D72.6Confident85.3Confident119 Ų11963.2 Ų63.264%0.63636%0.359SS*.EExtended strand (participates in β ladder)trans-86.9138.3171-71.2-26000110.1
414G87.4Confident85.3Confident13 Ų1363.1 Ų63.113%0.13436%0.364CS..EExtended strand (participates in β ladder)trans-81.4132.4172.500000109.3N405 W406N405-G414 CarbonylContact C-O 3.52Å; N405-G414 VanDerWaalsContact CA-O 3.32Å; N405-G414 WeakPolarHBondContact CA-O 3.37Å; W406-G414 PolarHBondContact N-O 2.89Å; W406-G414 PolarHBondContact O-N 3.04Å
415E92.5Very high85.2Confident133 Ų13363.4 Ų63.462%0.62137%0.366SS*.EExtended strand (participates in β ladder)trans-133.3148.2176.867.9171.8-156.900112.3L404 N405L404-E415 CarbonylContact O-C 3.58Å; L404-E415 VanDerWaalsContact O-CA 3.29Å; L404-E415 WeakPolarHBondContact O-CA 3.19Å; N405-E415 WeakPolarHBondContact ND2-CB 3.3Å
416S93.8Very high85.3Confident37 Ų3765.1 Ų65.126%0.25938%0.378SS..EExtended strand (participates in β ladder)trans-152.3128171.3-177.20000110.9K403 L404 V418K403-S416 CarbonylContact C-O 3.51Å; K403-S416 WeakPolarHBondContact CA-O 3.2Å; L404-S416 PolarHBondContact N-O 3.44Å; L404-S416 PolarHBondContact O-N 2.86Å; S416-V418 PolarHBondContact O-N 3.2Å
417E95Very high85.4Confident93 Ų9368 Ų6844%0.43539%0.391SS..EExtended strand (participates in β ladder)trans-69.5117.2164.8-171.3164.295.300109.7K429 S446E417-K429 PolarHBondContact O-NZ 3.06Å; E417-S446 WeakPolarHBondContact OE2-CB 3.36Å; E417-S446 PolarHBondContact OE2-OG 2.98Å
418V96.3Very high86.1Confident4 Ų465.8 Ų65.82%0.02438%0.382CS..EExtended strand (participates in β ladder)trans-94.1-34.4-177.4-73.80000111.8I402 L404 S416 K429 L431 V481 F489I402-V418 HydrophobicContact CB-CG2 4.19Å; I402-V418 HydrophobicContact CG2-CG2 3.87Å; I402-V418 WeakPolarHBondContact O-CG2 3.47Å; I402-V418 PolarHBondContact O-N 3.13Å; L404-V418 HydrophobicContact CB-CG1 4.48Å; L404-V418 HydrophobicContact CD1-CG1 3.78Å; L404-V418 HydrophobicContact CG-CG1 3.97Å; L404-V418 HydrophobicContact CG-CG2 4.15Å; S416-V418 PolarHBondContact O-N 3.2Å; V418-K429 HydrophobicContact CB-CD 4.26Å; V418-K429 HydrophobicContact CG1-CD 4.41Å; V418-K429 VanDerWaalsContact O-CD 3.28Å; V418-K429 WeakPolarHBondContact O-CD 3.24Å; V418-K429 PolarHBondContact O-NZ 3.46Å; V418-L431 HydrophobicContact CG1-CD1 3.76Å; V418-L431 HydrophobicContact CG1-CD2 4.44Å; V418-L431 HydrophobicContact CG1-CG 4.44Å; V418-V481 HydrophobicContact CB-CG2 4.28Å; V418-V481 HydrophobicContact CG1-CG2 4.17Å; V418-F489 HydrophobicContact CG2-CE2 4.16Å
419F96.2Very high87.2Confident1 Ų167 Ų670%0.00438%0.384CS..EExtended strand (participates in β ladder)trans-136.3124.8178.1-57-73.9000109.2S401 I402 H423 F427 V481 I483 F489S401-F419 CarbonylContact C-O 3.59Å; S401-F419 WeakPolarHBondContact CA-O 3.26Å; I402-F419 HydrophobicContact CB-CB 4.35Å; I402-F419 HydrophobicContact CB-CD2 4.13Å; I402-F419 HydrophobicContact CD1-CD2 4.31Å; I402-F419 PolarHBondContact N-O 3.35Å; I402-F419 PolarHBondContact O-N 2.69Å; F419-H423 HydrophobicContact CB-CB 4.34Å; F419-H423 AromaticContact CD1-ND1 3.98Å; F419-F427 HydrophobicContact CE1-CB 4.29Å; F419-F427 AromaticContact CE1-CD1 3.93Å; F419-F427 HydrophobicContact CE1-CD1 3.93Å; F419-V481 HydrophobicContact CE2-CG2 4.27Å; F419-V481 HydrophobicContact CZ-CG2 4.37Å; F419-I483 HydrophobicContact CB-CD1 4.01Å; F419-I483 HydrophobicContact CD1-CD1 3.89Å; F419-I483 HydrophobicContact CD1-CG1 4.34Å; F419-I483 HydrophobicContact CD2-CD1 3.69Å; F419-I483 HydrophobicContact CD2-CG1 3.8Å; F419-I483 HydrophobicContact CE1-CD1 4.26Å; F419-I483 HydrophobicContact CE1-CG1 4.22Å; F419-I483 HydrophobicContact CE2-CD1 4.12Å; F419-I483 HydrophobicContact CE2-CG1 3.72Å; F419-I483 HydrophobicContact CG-CD1 3.58Å; F419-I483 HydrophobicContact CG-CG1 4.14Å; F419-I483 HydrophobicContact CZ-CD1 4.4Å; F419-I483 HydrophobicContact CZ-CG1 3.95Å; F419-F489 HydrophobicContact CD2-CD2 4.26Å; F419-F489 HydrophobicContact CD2-CE2 4.3Å; F419-F489 AromaticContact CE2-CD2 3.85Å; F419-F489 HydrophobicContact CE2-CD2 3.85Å; F419-F489 AromaticContact CE2-CE2 3.76Å; F419-F489 HydrophobicContact CE2-CE2 3.76Å
420A94.3Very high88.5Confident40 Ų4065.4 Ų65.433%0.33138%0.378SS..  trans-79166.4175.400000111.2H423A420-H423 WeakPolarHBondContact O-CB 3.37Å; A420-H423 PolarHBondContact O-N 2.77Å
421P90.5Very high90.2Very high84 Ų8460.9 Ų60.955%0.54535%0.35SS..THydrogen-bonded Turntrans-60.2138.8171-17.532.9000110.4H423P421-H423 PolarHBondContact O-N 3.12Å
422G92.1Very high92.2Very high35 Ų3554.2 Ų54.236%0.36132%0.323SS..THydrogen-bonded Turntrans73.48.6-17700000114.7Q398Q398-G422 VanDerWaalsContact O-CA 3.29Å; Q398-G422 WeakPolarHBondContact O-CA 3.23Å; Q398-G422 PolarHBondContact O-N 3.39Å
423H95Very high93.8Very high40 Ų4052.4 Ų52.419%0.18530%0.302CS..EExtended strand (participates in β ladder)trans-60.5134.2-179.4-168.6-66.4000110.8Q398 F419 A420 P421 F427Q398-H423 WeakPolarHBondContact CB-O 3.23Å; Q398-H423 PolarHBondContact N-O 3.49Å; F419-H423 HydrophobicContact CB-CB 4.34Å; F419-H423 AromaticContact CD1-ND1 3.98Å; A420-H423 WeakPolarHBondContact O-CB 3.37Å; A420-H423 PolarHBondContact O-N 2.77Å; P421-H423 PolarHBondContact O-N 3.12Å; H423-F427 AromaticContact CE1-CD1 3.43Å; H423-F427 VanDerWaalsContact CE1-CD1 3.43Å; H423-F427 WeakPolarHBondContact CE1-CD1 3.48Å; H423-F427 AromaticContact CE1-CD2 3.72Å; H423-F427 AromaticContact CE1-CE1 3.81Å; H423-F427 AromaticContact CE1-CG 3.36Å; H423-F427 WeakPolarHBondContact CE1-CG 3.44Å
424P96.6Very high94.8Very high53 Ų5352.9 Ų52.934%0.34430%0.296SS..EExtended strand (participates in β ladder)trans-62.9142.317925.3-34.9000111.6T395 D396 F427T395-P424 HydrophobicContact CG2-CB 3.56Å; D396-P424 CarbonylContact O-C 3.58Å; D396-P424 WeakPolarHBondContact O-CA 3.38Å; P424-F427 WeakPolarHBondContact O-CB 3.33Å
425F96Very high95Very high6 Ų653.6 Ų53.63%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-135.9154.2171.679.4-91.9000112D396 V397 Q398 I483 N484D396-F425 HydrophobicContact CB-CD1 4.06Å; D396-F425 HydrophobicContact CB-CD2 4.45Å; D396-F425 HydrophobicContact CB-CE1 3.59Å; D396-F425 HydrophobicContact CB-CE2 4.01Å; D396-F425 HydrophobicContact CB-CG 4.47Å; D396-F425 HydrophobicContact CB-CZ 3.56Å; D396-F425 PolarHBondContact N-O 2.95Å; D396-F425 PolarHBondContact O-N 3.34Å; V397-F425 VanDerWaalsContact C-CD1 3.47Å; V397-F425 VanDerWaalsContact C-CE1 3.43Å; V397-F425 VanDerWaalsContact O-CE1 3.3Å; V397-F425 WeakPolarHBondContact O-CE1 3.37Å; Q398-F425 HydrophobicContact CB-CD1 4.01Å; F425-I483 HydrophobicContact CB-CB 4.06Å; F425-I483 HydrophobicContact CB-CG2 3.72Å; F425-I483 HydrophobicContact CD2-CG2 4.05Å; F425-I483 HydrophobicContact CG-CG2 3.88Å; F425-N484 WeakPolarHBondContact CD2-O 3.26Å
426P95.8Very high95.1Very high65 Ų6549.2 Ų49.242%0.42228%0.278SS..SBendcis-68.7141.63.329.8-36.3000113.5I483 P485P426-I483 VanDerWaalsContact CA-O 3.3Å; P426-I483 WeakPolarHBondContact CA-O 3.33Å; P426-P485 HydrophobicContact CB-CG 4.07Å; P426-P485 HydrophobicContact CG-CG 4.2Å
427F97Very high95.1Very high91 Ų9153.2 Ų53.240%0.39929%0.293SS..EExtended strand (participates in β ladder)trans-146.7150.9177.9-165-91.9000111.8F419 H423 P424 R482 I483F419-F427 HydrophobicContact CE1-CB 4.29Å; F419-F427 AromaticContact CE1-CD1 3.93Å; F419-F427 HydrophobicContact CE1-CD1 3.93Å; H423-F427 AromaticContact CE1-CD1 3.43Å; H423-F427 VanDerWaalsContact CE1-CD1 3.43Å; H423-F427 WeakPolarHBondContact CE1-CD1 3.48Å; H423-F427 AromaticContact CE1-CD2 3.72Å; H423-F427 AromaticContact CE1-CE1 3.81Å; H423-F427 AromaticContact CE1-CG 3.36Å; H423-F427 WeakPolarHBondContact CE1-CG 3.44Å; P424-F427 WeakPolarHBondContact O-CB 3.33Å; F427-R482 VanDerWaalsContact O-CA 3.24Å; F427-R482 WeakPolarHBondContact O-CA 3.4Å; F427-R482 WeakPolarHBondContact O-CG 3.21Å; F427-I483 PolarHBondContact N-O 3.34Å; F427-I483 VanDerWaalsContact N-O 3.13Å; F427-I483 PolarHBondContact O-N 2.99Å; F427-I483 VanDerWaalsContact O-N 3.07Å
428S97.6Very high95.1Very high33 Ų3351.6 Ų51.623%0.23129%0.291CS..EExtended strand (participates in β ladder)trans-126.6137.4176.1-59.70000111.7V481 R482S428-V481 CarbonylContact C-O 3.6Å; S428-V481 VanDerWaalsContact CA-O 3.26Å; S428-V481 WeakPolarHBondContact CA-O 3.29Å; S428-R482 VanDerWaalsContact OG-CZ 3.22Å; S428-R482 PolarHBondContact OG-NE 3.22Å; S428-R482 PolarHBondContact OG-NH2 3.31Å
429K97.1Very high95Very high73 Ų7352 Ų5232%0.31729%0.292SS..EExtended strand (participates in β ladder)trans-122.3136.3174.7-169172.9-176.6177.40108.7E417 V418 V481E417-K429 PolarHBondContact O-NZ 3.06Å; V418-K429 HydrophobicContact CB-CD 4.26Å; V418-K429 HydrophobicContact CG1-CD 4.41Å; V418-K429 VanDerWaalsContact O-CD 3.28Å; V418-K429 WeakPolarHBondContact O-CD 3.24Å; V418-K429 PolarHBondContact O-NZ 3.46Å; K429-V481 HydrophobicContact CB-CG2 4.2Å; K429-V481 PolarHBondContact N-O 3.49Å; K429-V481 PolarHBondContact O-N 3.16Å
430V97.4Very high95Very high83 Ų8352.4 Ų52.450%0.50330%0.295SS..EExtended strand (participates in β ladder)trans-104124.9175.2179.70000108.4K478 V479 K480V430-K478 HydrophobicContact CG1-CB 4.13Å; V430-K478 HydrophobicContact CG1-CD 4.49Å; V430-V479 CarbonylContact C-O 3.41Å; V430-V479 WeakPolarHBondContact CA-O 3.34Å; V430-K480 HydrophobicContact CG2-CB 4.2Å; V430-K480 HydrophobicContact CG2-CG 4.12Å
431L96.2Very high95.1Very high22 Ų2250.5 Ų50.512%0.11528%0.279CS..EExtended strand (participates in β ladder)trans-104.7146.9172.8-61.6177.7000109.5L404 V418 F433 K478 V479L404-L431 HydrophobicContact CD1-CD1 3.54Å; V418-L431 HydrophobicContact CG1-CD1 3.76Å; V418-L431 HydrophobicContact CG1-CD2 4.44Å; V418-L431 HydrophobicContact CG1-CG 4.44Å; L431-F433 HydrophobicContact CB-CD2 4.4Å; L431-F433 HydrophobicContact CB-CE2 3.53Å; L431-F433 HydrophobicContact CB-CZ 3.75Å; L431-F433 HydrophobicContact CD1-CE2 4.28Å; L431-F433 HydrophobicContact CD1-CZ 3.81Å; L431-F433 HydrophobicContact CG-CZ 4.47Å; L431-K478 CarbonylContact O-C 3.52Å; L431-K478 WeakPolarHBondContact O-CA 3.35Å; L431-V479 PolarHBondContact N-O 3.24Å; L431-V479 PolarHBondContact O-N 2.94Å
432T95.6Very high95.4Very high66 Ų6651 Ų5141%0.40527%0.271SS..EExtended strand (participates in β ladder)trans-115.2126.6176.7-610000108.9Y434 K476 V477T432-Y434 HydrophobicContact CG2-CE2 4.02Å; T432-K476 HydrophobicContact CG2-CD 4.33Å; T432-K476 HydrophobicContact CG2-CG 3.88Å; T432-V477 CarbonylContact C-O 3.51Å; T432-V477 WeakPolarHBondContact CA-O 3.4Å
433F94.2Very high95.6Very high9 Ų949.4 Ų49.44%0.03925%0.253CS..EExtended strand (participates in β ladder)trans-118.9158.3176.4-55.7-86.2000109.7W406 L431 R435 F439 L441 V477 V479W406-F433 HydrophobicContact CD2-CD1 4.35Å; W406-F433 AromaticContact CD2-CE1 3.57Å; W406-F433 HydrophobicContact CD2-CE1 3.57Å; W406-F433 HydrophobicContact CD2-CZ 4.4Å; W406-F433 AromaticContact CE2-CE1 3.51Å; W406-F433 AromaticContact CE3-CE1 3.76Å; W406-F433 HydrophobicContact CE3-CE1 3.76Å; W406-F433 HydrophobicContact CE3-CZ 4.18Å; W406-F433 HydrophobicContact CG-CE1 4.25Å; W406-F433 AromaticContact CH2-CE1 3.83Å; W406-F433 HydrophobicContact CH2-CE1 3.83Å; W406-F433 HydrophobicContact CH2-CZ 4.45Å; W406-F433 HydrophobicContact CZ2-CD1 4.33Å; W406-F433 AromaticContact CZ2-CE1 3.66Å; W406-F433 HydrophobicContact CZ2-CE1 3.66Å; W406-F433 AromaticContact CZ3-CE1 3.88Å; W406-F433 HydrophobicContact CZ3-CE1 3.88Å; W406-F433 HydrophobicContact CZ3-CZ 4.21Å; L431-F433 HydrophobicContact CB-CD2 4.4Å; L431-F433 HydrophobicContact CB-CE2 3.53Å; L431-F433 HydrophobicContact CB-CZ 3.75Å; L431-F433 HydrophobicContact CD1-CE2 4.28Å; L431-F433 HydrophobicContact CD1-CZ 3.81Å; L431-F433 HydrophobicContact CG-CZ 4.47Å; F433-R435 HydrophobicContact CB-CG 4.3Å; F433-F439 HydrophobicContact CB-CZ 4.16Å; F433-F439 HydrophobicContact CD1-CE2 4.3Å; F433-F439 HydrophobicContact CD2-CE2 4.23Å; F433-F439 HydrophobicContact CD2-CZ 4.02Å; F433-F439 HydrophobicContact CG-CE2 4.09Å; F433-F439 HydrophobicContact CG-CZ 4.04Å; F433-L441 HydrophobicContact CE1-CD2 4.15Å; F433-L441 HydrophobicContact CE2-CD2 4.37Å; F433-L441 HydrophobicContact CZ-CD2 3.79Å; F433-V477 HydrophobicContact CB-CB 4.44Å; F433-V477 PolarHBondContact N-O 3.44Å; F433-V477 PolarHBondContact O-N 3.39Å; F433-V479 HydrophobicContact CD2-CB 4.28Å; F433-V479 HydrophobicContact CD2-CG2 3.74Å; F433-V479 HydrophobicContact CE2-CB 3.86Å; F433-V479 HydrophobicContact CE2-CG2 3.73Å
434Y93.4Very high95.7Very high130 Ų13047.8 Ų47.851%0.5125%0.247SC..EExtended strand (participates in β ladder)trans-122.4112.1171.2-70.1-90.3000107.1T432 S475 K476T432-Y434 HydrophobicContact CG2-CE2 4.02Å; Y434-S475 WeakPolarHBondContact CA-O 3.37Å; Y434-K476 HydrophobicContact CD1-CB 4.25Å; Y434-K476 HydrophobicContact CE1-CB 3.9Å; Y434-K476 HydrophobicContact CE1-CD 4.41Å; Y434-K476 HydrophobicContact CE1-CG 4.05Å
435R93.2Very high95.7Very high28 Ų2845.6 Ų45.611%0.10623%0.232CC..EExtended strand (participates in β ladder)trans-144.2139.2-170.3-70.7-67.8-177.4-89.613.4111.3D407 F433 F439 V466 S475D407-R435 PolarHBondContact O-NH2 2.84Å; F433-R435 HydrophobicContact CB-CG 4.3Å; R435-F439 HydrophobicContact CB-CD1 3.97Å; R435-F439 HydrophobicContact CB-CE1 4.18Å; R435-F439 HydrophobicContact CG-CD1 3.61Å; R435-F439 HydrophobicContact CG-CD2 4.41Å; R435-F439 HydrophobicContact CG-CE1 3.82Å; R435-F439 HydrophobicContact CG-CG 3.94Å; R435-F439 HydrophobicContact CG-CZ 4.3Å; R435-V466 HydrophobicContact CB-CG1 3.91Å; R435-V466 VanDerWaalsContact O-CG1 3.28Å; R435-V466 WeakPolarHBondContact O-CG1 3.27Å; R435-S475 PolarHBondContact N-O 3.15Å; R435-S475 PolarHBondContact O-N 3.43Å
436S92.8Very high95.5Very high40 Ų4046.7 Ų46.728%0.2824%0.24SC..SBendtrans-96.3-13.5177.2-56.90000113.4V467 P468 P474S436-V467 CarbonylContact O-C 3.54Å; S436-P468 VanDerWaalsContact O-CD 3.25Å; S436-P468 WeakPolarHBondContact O-CD 3.47Å; S436-P474 WeakPolarHBondContact OG-CA 3.21Å
437Q94Very high95.2Very high122 Ų12246 Ų4657%0.5724%0.237SC*.SBendtrans-144.1164.2-175.664.8-174.2-4.300110.9F439Q437-F439 PolarHBondContact O-N 3.36Å
438P95.2Very high94.5Very high59 Ų5944.1 Ų44.138%0.38323%0.234SC..  trans-50.7140.1172.9-29.538.4000111.9M462 V463 V466P438-M462 HydrophobicContact CB-CE 3.49Å; P438-M462 VanDerWaalsContact CB-CE 3.49Å; P438-V463 VanDerWaalsContact CA-O 3.24Å; P438-V463 WeakPolarHBondContact CA-O 3.19Å; P438-V463 WeakPolarHBondContact CB-O 3.44Å; P438-V466 WeakPolarHBondContact CD-O 3.41Å
439F95.2Very high93.8Very high13 Ų1350.5 Ų50.56%0.05727%0.266CS..EExtended strand (participates in β ladder)trans-140.5155-17969.1-75.4000111.6F433 R435 Q437 L441 M462 V463 V466 V477 V479F433-F439 HydrophobicContact CB-CZ 4.16Å; F433-F439 HydrophobicContact CD1-CE2 4.3Å; F433-F439 HydrophobicContact CD2-CE2 4.23Å; F433-F439 HydrophobicContact CD2-CZ 4.02Å; F433-F439 HydrophobicContact CG-CE2 4.09Å; F433-F439 HydrophobicContact CG-CZ 4.04Å; R435-F439 HydrophobicContact CB-CD1 3.97Å; R435-F439 HydrophobicContact CB-CE1 4.18Å; R435-F439 HydrophobicContact CG-CD1 3.61Å; R435-F439 HydrophobicContact CG-CD2 4.41Å; R435-F439 HydrophobicContact CG-CE1 3.82Å; R435-F439 HydrophobicContact CG-CG 3.94Å; R435-F439 HydrophobicContact CG-CZ 4.3Å; Q437-F439 PolarHBondContact O-N 3.36Å; F439-L441 HydrophobicContact CD2-CD2 4.22Å; F439-L441 HydrophobicContact CE2-CD2 3.74Å; F439-L441 HydrophobicContact CE2-CG 4.03Å; F439-M462 VanDerWaalsContact CA-CE 3.46Å; F439-M462 VanDerWaalsContact O-CE 3.27Å; F439-M462 WeakPolarHBondContact O-CE 3.36Å; F439-V463 HydrophobicContact CD1-CB 4.19Å; F439-V463 HydrophobicContact CE1-CB 3.85Å; F439-V463 HydrophobicContact CE1-CG1 3.92Å; F439-V463 HydrophobicContact CE1-CG2 4.32Å; F439-V463 HydrophobicContact CE2-CG2 4.49Å; F439-V463 HydrophobicContact CZ-CB 4.16Å; F439-V463 HydrophobicContact CZ-CG1 4.39Å; F439-V463 HydrophobicContact CZ-CG2 4.11Å; F439-V463 PolarHBondContact N-O 3.16Å; F439-V463 PolarHBondContact O-N 2.94Å; F439-V466 HydrophobicContact CD1-CG2 4.22Å; F439-V466 HydrophobicContact CE1-CG2 4.09Å; F439-V477 HydrophobicContact CE1-CB 4.47Å; F439-V477 HydrophobicContact CE1-CG1 4.17Å; F439-V477 HydrophobicContact CZ-CG1 4.28Å; F439-V479 HydrophobicContact CZ-CG2 4.27Å
440A95.2Very high93.1Very high8 Ų851.3 Ų51.37%0.06628%0.279CS..EExtended strand (participates in β ladder)trans-101.7138.1179.800000111.6W406 K460 F461 M462W406-A440 VanDerWaalsContact CB-O 3.28Å; W406-A440 WeakPolarHBondContact CB-O 3.22Å; A440-K460 VanDerWaalsContact CB-CE 3.49Å; A440-K460 HydrophobicContact CB-CG 4.28Å; A440-F461 CarbonylContact C-O 3.53Å; A440-F461 WeakPolarHBondContact CA-O 3.45Å; A440-M462 HydrophobicContact CB-SD 3.86Å
441L96.6Very high92.5Very high0 Ų048 Ų480%026%0.259CS..EExtended strand (participates in β ladder)trans-103.9127.3165.3-62.1176.1000108.5L404 W406 F433 F439 K460 F461 V463 V479L404-L441 HydrophobicContact CD2-CB 4.5Å; W406-L441 HydrophobicContact CB-CD2 3.77Å; W406-L441 HydrophobicContact CD2-CD2 4.19Å; W406-L441 HydrophobicContact CE3-CD2 3.92Å; W406-L441 HydrophobicContact CG-CD2 4.15Å; F433-L441 HydrophobicContact CE1-CD2 4.15Å; F433-L441 HydrophobicContact CE2-CD2 4.37Å; F433-L441 HydrophobicContact CZ-CD2 3.79Å; F439-L441 HydrophobicContact CD2-CD2 4.22Å; F439-L441 HydrophobicContact CE2-CD2 3.74Å; F439-L441 HydrophobicContact CE2-CG 4.03Å; L441-K460 CarbonylContact O-C 3.52Å; L441-K460 WeakPolarHBondContact O-CA 3.48Å; L441-F461 HydrophobicContact CB-CB 4.41Å; L441-F461 PolarHBondContact N-O 2.88Å; L441-F461 PolarHBondContact O-N 2.76Å; L441-V463 HydrophobicContact CD1-CG2 4.44Å; L441-V479 HydrophobicContact CD1-CB 4.42Å; L441-V479 HydrophobicContact CD1-CG1 3.8Å; L441-V479 HydrophobicContact CD1-CG2 4.35Å
442R96.8Very high91.7Very high96 Ų9648.7 Ų48.736%0.36226%0.264SS..EExtended strand (participates in β ladder)trans-104.3117.6172.2-62.2-178.9-176.694-1.2108.2L404 N405 D407 K460L404-R442 CarbonylContact C-O 3.58Å; L404-R442 WeakPolarHBondContact CA-O 3.36Å; N405-R442 HydrophobicContact CB-CB 4.4Å; N405-R442 PolarHBondContact N-O 3.24Å; N405-R442 PolarHBondContact O-N 3Å; D407-R442 IonicContact OD1-CZ 3.39Å; D407-R442 IonicContact OD1-NH1 3.05Å; D407-R442 PolarHBondContact OD1-NH1 2.79Å; D407-R442 IonicContact OD1-NH2 2.74Å; D407-R442 IonicContact OD2-NH1 3.43Å; R442-K460 HydrophobicContact CG-CG 4.27Å
443A97.4Very high90.8Very high0 Ų045.9 Ų45.90%025%0.246CC..EExtended strand (participates in β ladder)trans-92.2132.8172.800000109.9K403 L404 I458 G459 F461 F489K403-A443 WeakPolarHBondContact O-CA 3.22Å; L404-A443 HydrophobicContact CD2-CB 3.68Å; A443-I458 HydrophobicContact CB-CB 4.01Å; A443-I458 HydrophobicContact CB-CG2 4.24Å; A443-I458 WeakPolarHBondContact O-CB 3.38Å; A443-I458 PolarHBondContact O-N 2.96Å; A443-G459 PolarHBondContact N-O 3.09Å; A443-G459 PolarHBondContact O-N 3.46Å; A443-F461 HydrophobicContact CB-CD2 4.43Å; A443-F461 HydrophobicContact CB-CE2 3.83Å; A443-F489 HydrophobicContact CB-CD1 3.78Å; A443-F489 HydrophobicContact CB-CE1 3.47Å; A443-F489 VanDerWaalsContact CB-CE1 3.47Å; A443-F489 HydrophobicContact CB-CZ 3.98Å
444A96.2Very high89.8Confident6 Ų649 Ų495%0.0527%0.267CS..EExtended strand (participates in β ladder)trans-150155.4-18000000109.7I402 K403 Y456I402-A444 WeakPolarHBondContact CA-O 3.21Å; K403-A444 PolarHBondContact N-O 2.98Å; K403-A444 PolarHBondContact O-N 3.3Å; A444-Y456 CarbonylContact C-O 3.59Å; A444-Y456 VanDerWaalsContact CA-O 3.28Å; A444-Y456 WeakPolarHBondContact CA-O 3.46Å; A444-Y456 HydrophobicContact CB-CD2 3.99Å; A444-Y456 HydrophobicContact CB-CE2 4.33Å
445Y96Very high89.5Confident8 Ų845.4 Ų45.43%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-73135.8171.2-61.7-70.3000111.1T149 D150 Y400 S401 I402 S447 I451 Y456 I458T149-Y445 WeakPolarHBondContact CA-OH 3.45Å; T149-Y445 WeakPolarHBondContact CB-OH 3.44Å; T149-Y445 HydrophobicContact CG2-CE2 4.1Å; D150-Y445 PolarHBondContact N-OH 2.94Å; Y400-Y445 VanDerWaalsContact CB-CD1 3.44Å; Y400-Y445 HydrophobicContact CD2-CD1 4.38Å; Y400-Y445 AromaticContact CD2-CE1 3.87Å; Y400-Y445 HydrophobicContact CD2-CE1 3.87Å; Y400-Y445 HydrophobicContact CG-CD1 4.24Å; Y400-Y445 HydrophobicContact CG-CE1 4.16Å; S401-Y445 CarbonylContact O-C 3.59Å; S401-Y445 WeakPolarHBondContact O-CA 3.3Å; S401-Y445 WeakPolarHBondContact O-CD1 3.44Å; I402-Y445 HydrophobicContact CD1-CE1 4.37Å; I402-Y445 HydrophobicContact CG1-CD1 3.92Å; I402-Y445 HydrophobicContact CG1-CE1 4.06Å; Y445-S447 VanDerWaalsContact C-N 3.33Å; Y445-S447 PolarHBondContact O-N 3.09Å; Y445-I451 HydrophobicContact CD1-CD1 3.81Å; Y445-I451 HydrophobicContact CD2-CD1 3.27Å; Y445-I451 HydrophobicContact CE2-CD1 4.05Å; Y445-I451 HydrophobicContact CG-CD1 3.11Å; Y445-Y456 WeakPolarHBondContact CD2-O 3.42Å; Y445-Y456 PolarHBondContact N-O 3.29Å; Y445-I458 HydrophobicContact CD1-CD1 3.98Å; Y445-I458 HydrophobicContact CD2-CD1 4.37Å; Y445-I458 HydrophobicContact CD2-CG1 4.06Å; Y445-I458 HydrophobicContact CE1-CD1 3.74Å; Y445-I458 HydrophobicContact CE1-CG1 4.24Å; Y445-I458 HydrophobicContact CE2-CD1 4.17Å; Y445-I458 HydrophobicContact CE2-CG1 3.75Å; Y445-I458 HydrophobicContact CG-CD1 4.29Å; Y445-I458 HydrophobicContact CG-CG1 4.46Å
446S92.8Very high89.4Confident29 Ų2949.1 Ų49.120%0.20327%0.272CS..SBendtrans-72.1-26.7-172.6-45.90000113.4S401 K403 E417 P448S401-S446 PolarHBondContact O-N 3.46Å; S401-S446 WeakPolarHBondContact OG-CB 3.45Å; K403-S446 PolarHBondContact N-OG 3.11Å; E417-S446 WeakPolarHBondContact OE2-CB 3.36Å; E417-S446 PolarHBondContact OE2-OG 2.98Å; S446-P448 WeakPolarHBondContact O-CD 3.23Å
447S90.3Very high89.4Confident51 Ų5150.6 Ų50.636%0.35728%0.279SS..  trans-12580.7-174.7-55.50000111.5Y445 N449 C450Y445-S447 VanDerWaalsContact C-N 3.33Å; Y445-S447 PolarHBondContact O-N 3.09Å; S447-N449 PolarHBondContact O-N 3.34Å; S447-N449 VanDerWaalsContact O-N 3.15Å; S447-C450 WeakPolarHBondContact O-CB 3.38Å; S447-C450 PolarHBondContact O-N 3.06Å
448P81.9Confident89.5Confident51 Ų5145.1 Ų45.133%0.33125%0.254SS..G310 helixtrans-55.4-35.4-175.5-27.735.5000114.2S446 C450 I451 Y456S446-P448 WeakPolarHBondContact O-CD 3.23Å; P448-C450 PolarHBondContact O-N 3.4Å; P448-I451 PolarHBondContact O-N 2.84Å; P448-Y456 HydrophobicContact CB-CD1 4.1Å; P448-Y456 HydrophobicContact CB-CG 4.07Å; P448-Y456 HydrophobicContact CG-CD1 3.97Å; P448-Y456 HydrophobicContact CG-CD2 4.02Å; P448-Y456 HydrophobicContact CG-CG 3.69Å
449N82.6Confident89.5Confident167 Ų16742.5 Ų42.589%0.89324%0.237SC*.G310 helixtrans-68.6-13.9179.4-63.2-19.9000114S447 I451S447-N449 PolarHBondContact O-N 3.34Å; S447-N449 VanDerWaalsContact O-N 3.15Å; N449-I451 VanDerWaalsContact C-N 3.35Å
450C81.7Confident89.6Confident89 Ų8945.6 Ų45.660%0.60125%0.251SS*.G310 helixtrans-93.33.2178.2-620000112.5S447 P448S447-C450 WeakPolarHBondContact O-CB 3.38Å; S447-C450 PolarHBondContact O-N 3.06Å; P448-C450 PolarHBondContact O-N 3.4Å
451I85.3Confident89.7Confident15 Ų1545.2 Ų45.28%0.07725%0.248CC..SBendtrans-115.3130.6-176.5-55.8179.3000108T149 Y400 Y445 P448 N449 Y453T149-I451 HydrophobicContact CG2-CG2 3.48Å; T149-I451 VanDerWaalsContact CG2-CG2 3.48Å; Y400-I451 HydrophobicContact CD1-CD1 4.33Å; Y400-I451 HydrophobicContact CD1-CG1 3.73Å; Y400-I451 HydrophobicContact CE1-CB 4.49Å; Y400-I451 HydrophobicContact CE1-CG1 3.94Å; Y400-I451 HydrophobicContact CE2-CG2 4.46Å; Y400-I451 HydrophobicContact CG-CD1 4.16Å; Y400-I451 HydrophobicContact CG-CG1 4.05Å; Y445-I451 HydrophobicContact CD1-CD1 3.81Å; Y445-I451 HydrophobicContact CD2-CD1 3.27Å; Y445-I451 HydrophobicContact CE2-CD1 4.05Å; Y445-I451 HydrophobicContact CG-CD1 3.11Å; P448-I451 PolarHBondContact O-N 2.84Å; N449-I451 VanDerWaalsContact C-N 3.35Å; I451-Y453 PolarHBondContact O-N 3.23Å
452P79.1Confident89.7Confident35 Ų3547.3 Ų47.323%0.22726%0.258CS..SBendtrans-77.739.2177.635.8-37.3000111.1R73 F147 M229 Y400R73-P452 PolarHBondContact NH1-O 3.04Å; R73-P452 PolarHBondContact NH2-O 2.74Å; R73-P452 VanDerWaalsContact NH2-O 3.1Å; F147-P452 HydrophobicContact CD2-CG 4.42Å; M229-P452 HydrophobicContact SD-CB 3.49Å; M229-P452 WeakPolarHBondContact SD-CB 3.18Å; M229-P452 HydrophobicContact SD-CG 3.71Å; Y400-P452 VanDerWaalsContact OH-CD 3.26Å; Y400-P452 WeakPolarHBondContact OH-CD 3.31Å
453Y76.9Confident89.7Confident8 Ų842.7 Ų42.73%0.03124%0.24CC..SBendtrans-151127.2-175.6-172.8-122.9000109G72 R73 K74 D77 T149 A151 I451 D455G72-Y453 PolarHBondContact O-OH 3.15Å; R73-Y453 HydrophobicContact CB-CE2 4.08Å; R73-Y453 HydrophobicContact CG-CD2 4.12Å; R73-Y453 HydrophobicContact CG-CE2 4.02Å; K74-Y453 WeakPolarHBondContact CG-OH 3.32Å; D77-Y453 WeakPolarHBondContact OD2-CD2 2.97Å; T149-Y453 HydrophobicContact CG2-CD1 4.18Å; T149-Y453 HydrophobicContact CG2-CG 4.37Å; A151-Y453 HydrophobicContact CB-CE1 4.27Å; I451-Y453 PolarHBondContact O-N 3.23Å; Y453-D455 VanDerWaalsContact C-N 3.32Å; Y453-D455 HydrophobicContact CD1-CB 4.13Å; Y453-D455 WeakPolarHBondContact CD1-O 3.43Å; Y453-D455 HydrophobicContact CE1-CB 3.55Å; Y453-D455 WeakPolarHBondContact CE1-O 3.3Å; Y453-D455 PolarHBondContact O-N 3.41Å
454P73.8Confident89.7Confident73 Ų7344.5 Ų44.547%0.47425%0.25SS..SBendtrans-71.9-24.7-172.227.6-36.1000113.9D77 Y456D77-P454 HydrophobicContact CB-CG 4.15Å; D77-P454 VanDerWaalsContact CG-CD 3.5Å; D77-P454 WeakPolarHBondContact OD2-CD 3.48Å; P454-Y456 PolarHBondContact O-N 3.22Å
455D85.9Confident89.6Confident55 Ų5546.3 Ų46.329%0.29427%0.269SS..  trans-91.7103.7180-171.9-2.2000110.2Y453 V457Y453-D455 VanDerWaalsContact C-N 3.32Å; Y453-D455 HydrophobicContact CD1-CB 4.13Å; Y453-D455 WeakPolarHBondContact CD1-O 3.43Å; Y453-D455 HydrophobicContact CE1-CB 3.55Å; Y453-D455 WeakPolarHBondContact CE1-O 3.3Å; Y453-D455 PolarHBondContact O-N 3.41Å; D455-V457 VanDerWaalsContact C-N 3.33Å; D455-V457 PolarHBondContact OD1-N 2.88Å; D455-V457 VanDerWaalsContact OD1-N 3.11Å
456Y91.1Very high89.5Confident106 Ų10646.2 Ų46.242%0.41627%0.269SS..  trans-88.2-1.2-177.664-86.4000112.9A444 Y445 P448 P454A444-Y456 CarbonylContact C-O 3.59Å; A444-Y456 VanDerWaalsContact CA-O 3.28Å; A444-Y456 WeakPolarHBondContact CA-O 3.46Å; A444-Y456 HydrophobicContact CB-CD2 3.99Å; A444-Y456 HydrophobicContact CB-CE2 4.33Å; Y445-Y456 WeakPolarHBondContact CD2-O 3.42Å; Y445-Y456 PolarHBondContact N-O 3.29Å; P448-Y456 HydrophobicContact CB-CD1 4.1Å; P448-Y456 HydrophobicContact CB-CG 4.07Å; P448-Y456 HydrophobicContact CG-CD1 3.97Å; P448-Y456 HydrophobicContact CG-CD2 4.02Å; P448-Y456 HydrophobicContact CG-CG 3.69Å; P454-Y456 PolarHBondContact O-N 3.22Å
457V93.7Very high89.6Confident72 Ų7248.3 Ų48.344%0.43628%0.281SS..EExtended strand (participates in β ladder)trans-84.5126.4179.1-178.10000109.5D455D455-V457 VanDerWaalsContact C-N 3.33Å; D455-V457 PolarHBondContact OD1-N 2.88Å; D455-V457 VanDerWaalsContact OD1-N 3.11Å
458I95.9Very high89.7Confident7 Ų748.8 Ų48.84%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-86.5-44.7177.3-67.6171.6000110.1D150 I402 A443 Y445 F489D150-I458 HydrophobicContact CB-CG1 4.33Å; D150-I458 HydrophobicContact CB-CG2 4.04Å; I402-I458 HydrophobicContact CB-CD1 4.47Å; I402-I458 HydrophobicContact CD1-CD1 3.78Å; I402-I458 HydrophobicContact CG1-CD1 3.85Å; I402-I458 HydrophobicContact CG2-CD1 3.87Å; A443-I458 HydrophobicContact CB-CB 4.01Å; A443-I458 HydrophobicContact CB-CG2 4.24Å; A443-I458 WeakPolarHBondContact O-CB 3.38Å; A443-I458 PolarHBondContact O-N 2.96Å; Y445-I458 HydrophobicContact CD1-CD1 3.98Å; Y445-I458 HydrophobicContact CD2-CD1 4.37Å; Y445-I458 HydrophobicContact CD2-CG1 4.06Å; Y445-I458 HydrophobicContact CE1-CD1 3.74Å; Y445-I458 HydrophobicContact CE1-CG1 4.24Å; Y445-I458 HydrophobicContact CE2-CD1 4.17Å; Y445-I458 HydrophobicContact CE2-CG1 3.75Å; Y445-I458 HydrophobicContact CG-CD1 4.29Å; Y445-I458 HydrophobicContact CG-CG1 4.46Å; I458-F489 HydrophobicContact CD1-CB 4.47Å; I458-F489 HydrophobicContact CG2-CB 4.02Å; I458-F489 HydrophobicContact CG2-CD1 4.13Å; I458-F489 HydrophobicContact CG2-CG 4.38Å
459G96Very high90Very high4 Ų448 Ų484%0.04128%0.277CS..EExtended strand (participates in β ladder)trans170.5171.8178.600000114A443 Q533A443-G459 PolarHBondContact N-O 3.09Å; A443-G459 PolarHBondContact O-N 3.46Å; G459-Q533 CarbonylContact C-O 3.53Å; G459-Q533 WeakPolarHBondContact CA-O 3.35Å
460K96.9Very high90.2Very high78 Ų7845.7 Ų45.734%0.33928%0.281SS..EExtended strand (participates in β ladder)trans-115.5133174.8-176.4-177.5179.7-172.90109.1A440 L441 R442 Q533A440-K460 VanDerWaalsContact CB-CE 3.49Å; A440-K460 HydrophobicContact CB-CG 4.28Å; L441-K460 CarbonylContact O-C 3.52Å; L441-K460 WeakPolarHBondContact O-CA 3.48Å; R442-K460 HydrophobicContact CG-CG 4.27Å; K460-Q533 HydrophobicContact CB-CB 4.36Å; K460-Q533 PolarHBondContact N-O 2.9Å; K460-Q533 PolarHBondContact O-N 3.45Å
461F97.3Very high90.6Very high0 Ų047.5 Ų47.50%029%0.285CS..EExtended strand (participates in β ladder)trans-124.8114.2-176-56.7-92000108.7A440 L441 A443 F489 V491 I530 M531 E532 V534A440-F461 CarbonylContact C-O 3.53Å; A440-F461 WeakPolarHBondContact CA-O 3.45Å; L441-F461 HydrophobicContact CB-CB 4.41Å; L441-F461 PolarHBondContact N-O 2.88Å; L441-F461 PolarHBondContact O-N 2.76Å; A443-F461 HydrophobicContact CB-CD2 4.43Å; A443-F461 HydrophobicContact CB-CE2 3.83Å; F461-F489 HydrophobicContact CD2-CE1 4.36Å; F461-F489 AromaticContact CE2-CD1 3.98Å; F461-F489 HydrophobicContact CE2-CD1 3.98Å; F461-F489 AromaticContact CE2-CE1 3.69Å; F461-F489 HydrophobicContact CE2-CE1 3.69Å; F461-F489 AromaticContact CZ-CD1 3.93Å; F461-F489 HydrophobicContact CZ-CD1 3.93Å; F461-F489 AromaticContact CZ-CE1 3.97Å; F461-F489 HydrophobicContact CZ-CE1 3.97Å; F461-V491 HydrophobicContact CB-CB 4.34Å; F461-V491 HydrophobicContact CB-CG2 3.67Å; F461-V491 HydrophobicContact CD1-CB 3.94Å; F461-V491 HydrophobicContact CD1-CG2 3.6Å; F461-V491 HydrophobicContact CD2-CG2 3.78Å; F461-V491 HydrophobicContact CE1-CG2 4.16Å; F461-V491 HydrophobicContact CE2-CG2 4.33Å; F461-V491 HydrophobicContact CG-CB 4.16Å; F461-V491 HydrophobicContact CG-CG2 3.38Å; F461-I530 HydrophobicContact CB-CG2 4.3Å; F461-I530 HydrophobicContact CD1-CG2 4.48Å; F461-M531 CarbonylContact C-O 3.5Å; F461-M531 WeakPolarHBondContact CA-O 3.12Å; F461-E532 HydrophobicContact CD1-CB 3.79Å; F461-E532 HydrophobicContact CE1-CB 3.88Å; F461-V534 HydrophobicContact CE1-CG1 4.15Å; F461-V534 HydrophobicContact CZ-CG1 3.89Å
462M96.8Very high90.7Very high43 Ų4349.2 Ų49.221%0.21231%0.307CS..EExtended strand (participates in β ladder)trans-93113.6-179-168.467.7-137.700109.8P438 F439 A440 N464 I530 M531P438-M462 HydrophobicContact CB-CE 3.49Å; P438-M462 VanDerWaalsContact CB-CE 3.49Å; F439-M462 VanDerWaalsContact CA-CE 3.46Å; F439-M462 VanDerWaalsContact O-CE 3.27Å; F439-M462 WeakPolarHBondContact O-CE 3.36Å; A440-M462 HydrophobicContact CB-SD 3.86Å; M462-N464 VanDerWaalsContact CG-OD1 3.29Å; M462-N464 WeakPolarHBondContact CG-OD1 3.33Å; M462-N464 PolarHBondContact O-N 2.98Å; M462-I530 WeakPolarHBondContact O-CA 3.44Å; M462-M531 HydrophobicContact CB-CB 4.22Å; M462-M531 HydrophobicContact CB-CE 4.07Å; M462-M531 HydrophobicContact CG-CE 3.99Å; M462-M531 PolarHBondContact N-O 3.47Å; M462-M531 PolarHBondContact O-N 3.08Å
463V96.8Very high91.2Very high0 Ų049.9 Ų49.90%031%0.312CS..EExtended strand (participates in β ladder)trans-87.5107.6174.5-176.90000108.3P438 F439 L441 V466 V477 V479 A494 L528P438-V463 VanDerWaalsContact CA-O 3.24Å; P438-V463 WeakPolarHBondContact CA-O 3.19Å; P438-V463 WeakPolarHBondContact CB-O 3.44Å; F439-V463 HydrophobicContact CD1-CB 4.19Å; F439-V463 HydrophobicContact CE1-CB 3.85Å; F439-V463 HydrophobicContact CE1-CG1 3.92Å; F439-V463 HydrophobicContact CE1-CG2 4.32Å; F439-V463 HydrophobicContact CE2-CG2 4.49Å; F439-V463 HydrophobicContact CZ-CB 4.16Å; F439-V463 HydrophobicContact CZ-CG1 4.39Å; F439-V463 HydrophobicContact CZ-CG2 4.11Å; F439-V463 PolarHBondContact N-O 3.16Å; F439-V463 PolarHBondContact O-N 2.94Å; L441-V463 HydrophobicContact CD1-CG2 4.44Å; V463-V466 HydrophobicContact CG1-CG2 3.9Å; V463-V477 HydrophobicContact CG1-CG1 4.43Å; V463-V479 HydrophobicContact CG2-CG2 4.42Å; V463-A494 HydrophobicContact CG1-CB 3.67Å; V463-A494 HydrophobicContact CG2-CB 4.3Å; V463-L528 HydrophobicContact CG1-CB 4.21Å; V463-L528 HydrophobicContact CG1-CD1 3.82Å
464N96.2Very high92Very high38 Ų3852.2 Ų52.220%0.20333%0.328CS..  trans-98.8168.2-175.6-76.9-23.3000112.3M462 V466 L528 P529 M531M462-N464 VanDerWaalsContact CG-OD1 3.29Å; M462-N464 WeakPolarHBondContact CG-OD1 3.33Å; M462-N464 PolarHBondContact O-N 2.98Å; N464-V466 PolarHBondContact O-N 3.34Å; N464-L528 WeakPolarHBondContact O-CB 3.4Å; N464-P529 HydrophobicContact CB-CG 3.89Å; N464-P529 PolarHBondContact N-O 2.82Å; N464-M531 WeakPolarHBondContact ND2-CE 3.41Å; N464-M531 PolarHBondContact ND2-SD 3.3Å; N464-M531 VanDerWaalsContact ND2-SD 3.42Å
465G94.9Very high92.9Very high44 Ų4448.7 Ų48.745%0.45431%0.305SS..  trans72.88.3176.200000114.9V467 L528G465-V467 PolarHBondContact O-N 3.44Å; G465-L528 WeakPolarHBondContact O-CD2 3.36Å
466V94.3Very high93.3Very high5 Ų549.6 Ų49.63%0.0331%0.307CS..  trans-72.4124.5173.8-177.40000108.8R435 P438 F439 V463 N464 V477 L528R435-V466 HydrophobicContact CB-CG1 3.91Å; R435-V466 VanDerWaalsContact O-CG1 3.28Å; R435-V466 WeakPolarHBondContact O-CG1 3.27Å; P438-V466 WeakPolarHBondContact CD-O 3.41Å; F439-V466 HydrophobicContact CD1-CG2 4.22Å; F439-V466 HydrophobicContact CE1-CG2 4.09Å; V463-V466 HydrophobicContact CG1-CG2 3.9Å; N464-V466 PolarHBondContact O-N 3.34Å; V466-V477 HydrophobicContact CG1-CG2 3.91Å; V466-V477 HydrophobicContact CG2-CG2 4.09Å; V466-L528 HydrophobicContact CG2-CD1 3.69Å
467V93.2Very high93.6Very high74 Ų7444.6 Ų44.645%0.44829%0.287SS..  trans-126.4154.4178-66.20000109.2S436 G465 S475 L496S436-V467 CarbonylContact O-C 3.54Å; G465-V467 PolarHBondContact O-N 3.44Å; V467-S475 WeakPolarHBondContact O-CB 3.42Å; V467-S475 PolarHBondContact O-OG 2.75Å; V467-L496 HydrophobicContact CG2-CD1 4.19Å
468P92.6Very high93.7Very high60 Ų6044.4 Ų44.439%0.3928%0.28SS..  trans-66.3161.9174.230.3-34.3000110.8S436 S473S436-P468 VanDerWaalsContact O-CD 3.25Å; S436-P468 WeakPolarHBondContact O-CD 3.47Å; P468-S473 WeakPolarHBondContact CA-O 3.34Å
469T89.6Confident93.8Very high34 Ų3444.1 Ų44.121%0.20928%0.279CS..  trans-68.2169.1171.245.30000110.9D471 G472 S473 S475T469-D471 WeakPolarHBondContact CB-OD1 3.45Å; T469-D471 PolarHBondContact O-N 2.96Å; T469-D471 PolarHBondContact OG1-OD1 2.86Å; T469-G472 PolarHBondContact O-N 2.8Å; T469-S473 PolarHBondContact N-O 2.98Å; T469-S473 PolarHBondContact OG1-N 3.27Å; T469-S473 PolarHBondContact OG1-O 3.28Å; T469-S473 PolarHBondContact OG1-OG 2.89Å; T469-S475 PolarHBondContact N-OG 3.43Å
470A86.6Confident93.9Very high120 Ų12047.3 Ų47.399%0.99229%0.292SS*.THydrogen-bonded Turntrans-57.3-24-177.800000114.5
471D89.2Confident94Very high127 Ų12743.6 Ų43.668%0.67928%0.275SS*.THydrogen-bonded Turntrans-89.72.9175.766.4-12.7000113.8T469 S473T469-D471 WeakPolarHBondContact CB-OD1 3.45Å; T469-D471 PolarHBondContact O-N 2.96Å; T469-D471 PolarHBondContact OG1-OD1 2.86Å; D471-S473 VanDerWaalsContact C-N 3.31Å; D471-S473 WeakPolarHBondContact OD1-CB 3.09Å; D471-S473 PolarHBondContact OD1-N 3.18Å; D471-S473 VanDerWaalsContact OD1-N 3.07Å; D471-S473 PolarHBondContact OD1-OG 2.92Å; D471-S473 PolarHBondContact OD2-OG 2.91Å
472G88Confident94Very high51 Ų5147.5 Ų47.553%0.52629%0.29SS..SBendtrans82.9-1.2-177.700000114.8T469T469-G472 PolarHBondContact O-N 2.8Å
473S90.2Very high94Very high49 Ų4945.5 Ų45.534%0.34328%0.28SS..PPolyproline II helixtrans-76.1160.5178.672.60000112.7P468 T469 D471 S475P468-S473 WeakPolarHBondContact CA-O 3.34Å; T469-S473 PolarHBondContact N-O 2.98Å; T469-S473 PolarHBondContact OG1-N 3.27Å; T469-S473 PolarHBondContact OG1-O 3.28Å; T469-S473 PolarHBondContact OG1-OG 2.89Å; D471-S473 VanDerWaalsContact C-N 3.31Å; D471-S473 WeakPolarHBondContact OD1-CB 3.09Å; D471-S473 PolarHBondContact OD1-N 3.18Å; D471-S473 VanDerWaalsContact OD1-N 3.07Å; D471-S473 PolarHBondContact OD1-OG 2.92Å; D471-S473 PolarHBondContact OD2-OG 2.91Å; S473-S475 PolarHBondContact O-N 3.14Å
474P92.1Very high94Very high56 Ų5647.4 Ų47.436%0.36429%0.29SS..PPolyproline II helixtrans-64129.1179-22.833.6000112.6S436S436-P474 WeakPolarHBondContact OG-CA 3.21Å
475S93.1Very high94Very high0 Ų048.2 Ų48.20%030%0.298CS..EExtended strand (participates in β ladder)trans-69143.2177.5-770000112.3Y434 R435 V467 T469 S473 V477Y434-S475 WeakPolarHBondContact CA-O 3.37Å; R435-S475 PolarHBondContact N-O 3.15Å; R435-S475 PolarHBondContact O-N 3.43Å; V467-S475 WeakPolarHBondContact O-CB 3.42Å; V467-S475 PolarHBondContact O-OG 2.75Å; T469-S475 PolarHBondContact N-OG 3.43Å; S473-S475 PolarHBondContact O-N 3.14Å; S475-V477 PolarHBondContact O-N 3.1Å
476K95.3Very high94.1Very high74 Ų7446.8 Ų46.832%0.32228%0.281SS..EExtended strand (participates in β ladder)trans-75.5112173.6-174.7177.6-173.8168.70109.9T432 Y434 H497T432-K476 HydrophobicContact CG2-CD 4.33Å; T432-K476 HydrophobicContact CG2-CG 3.88Å; Y434-K476 HydrophobicContact CD1-CB 4.25Å; Y434-K476 HydrophobicContact CE1-CB 3.9Å; Y434-K476 HydrophobicContact CE1-CD 4.41Å; Y434-K476 HydrophobicContact CE1-CG 4.05Å; K476-H497 HydrophobicContact CB-CB 4.41Å; K476-H497 HydrophobicContact CD-CB 4.5Å; K476-H497 PolarHBondContact O-N 3.44Å
477V96.3Very high94.2Very high0 Ų046.8 Ų46.80%028%0.282CS..EExtended strand (participates in β ladder)trans-108.9121.8178-177.30000109.7T432 F433 F439 V463 V466 S475 V479 T495 L528T432-V477 CarbonylContact C-O 3.51Å; T432-V477 WeakPolarHBondContact CA-O 3.4Å; F433-V477 HydrophobicContact CB-CB 4.44Å; F433-V477 PolarHBondContact N-O 3.44Å; F433-V477 PolarHBondContact O-N 3.39Å; F439-V477 HydrophobicContact CE1-CB 4.47Å; F439-V477 HydrophobicContact CE1-CG1 4.17Å; F439-V477 HydrophobicContact CZ-CG1 4.28Å; V463-V477 HydrophobicContact CG1-CG1 4.43Å; V466-V477 HydrophobicContact CG1-CG2 3.91Å; V466-V477 HydrophobicContact CG2-CG2 4.09Å; S475-V477 PolarHBondContact O-N 3.1Å; V477-V479 HydrophobicContact CG1-CG2 3.99Å; V477-T495 CarbonylContact C-O 3.52Å; V477-T495 WeakPolarHBondContact CA-O 3.25Å; V477-L528 HydrophobicContact CG1-CD1 3.73Å; V477-L528 HydrophobicContact CG2-CD1 4.27Å
478K97.1Very high94.4Very high69 Ų6943.6 Ų43.630%0.326%0.262SS..EExtended strand (participates in β ladder)trans-101.3121.1171.4-67.7-174.4-176.4172.60109.9V430 L431 A494 T495V430-K478 HydrophobicContact CG1-CB 4.13Å; V430-K478 HydrophobicContact CG1-CD 4.49Å; L431-K478 CarbonylContact O-C 3.52Å; L431-K478 WeakPolarHBondContact O-CA 3.35Å; K478-A494 CarbonylContact O-C 3.51Å; K478-A494 WeakPolarHBondContact O-CA 3.28Å; K478-T495 PolarHBondContact N-O 3.16Å; K478-T495 PolarHBondContact O-N 2.9Å; K478-T495 PolarHBondContact O-OG1 3.5Å
479V97.8Very high94.6Very high0 Ų040.8 Ų40.80%024%0.244CC..EExtended strand (participates in β ladder)trans-111.8126.5177.9-176.80000109.4V430 L431 F433 F439 L441 V463 V477 V481 V491 S493 A494V430-V479 CarbonylContact C-O 3.41Å; V430-V479 WeakPolarHBondContact CA-O 3.34Å; L431-V479 PolarHBondContact N-O 3.24Å; L431-V479 PolarHBondContact O-N 2.94Å; F433-V479 HydrophobicContact CD2-CB 4.28Å; F433-V479 HydrophobicContact CD2-CG2 3.74Å; F433-V479 HydrophobicContact CE2-CB 3.86Å; F433-V479 HydrophobicContact CE2-CG2 3.73Å; F439-V479 HydrophobicContact CZ-CG2 4.27Å; L441-V479 HydrophobicContact CD1-CB 4.42Å; L441-V479 HydrophobicContact CD1-CG1 3.8Å; L441-V479 HydrophobicContact CD1-CG2 4.35Å; V463-V479 HydrophobicContact CG2-CG2 4.42Å; V477-V479 HydrophobicContact CG1-CG2 3.99Å; V479-V481 HydrophobicContact CG1-CG1 4.16Å; V479-V491 HydrophobicContact CG1-CG1 3.36Å; V479-S493 CarbonylContact C-O 3.6Å; V479-S493 WeakPolarHBondContact CA-O 3.49Å; V479-A494 HydrophobicContact CG2-CB 4.15Å
480K98.1Very high95Very high72 Ų7240.4 Ų40.431%0.31324%0.242SC..EExtended strand (participates in β ladder)trans-99.4115.8176-175.8-179.8179.5-178.80109.3V430 C492 S493V430-K480 HydrophobicContact CG2-CB 4.2Å; V430-K480 HydrophobicContact CG2-CG 4.12Å; K480-C492 HydrophobicContact CB-CB 4.5Å; K480-C492 HydrophobicContact CD-CB 4.39Å; K480-C492 HydrophobicContact CG-CB 4.35Å; K480-C492 PolarHBondContact O-N 3.33Å; K480-S493 WeakPolarHBondContact CB-OG 3.4Å; K480-S493 PolarHBondContact N-O 3.38Å
481V98Very high95.4Very high0 Ų035.2 Ų35.20%020%0.198CC..EExtended strand (participates in β ladder)trans-105.6152.2173-57.30000110.7L404 V418 F419 S428 K429 V479 F489 S490 V491L404-V481 HydrophobicContact CD1-CG1 3.84Å; L404-V481 HydrophobicContact CD1-CG2 4.47Å; V418-V481 HydrophobicContact CB-CG2 4.28Å; V418-V481 HydrophobicContact CG1-CG2 4.17Å; F419-V481 HydrophobicContact CE2-CG2 4.27Å; F419-V481 HydrophobicContact CZ-CG2 4.37Å; S428-V481 CarbonylContact C-O 3.6Å; S428-V481 VanDerWaalsContact CA-O 3.26Å; S428-V481 WeakPolarHBondContact CA-O 3.29Å; K429-V481 HydrophobicContact CB-CG2 4.2Å; K429-V481 PolarHBondContact N-O 3.49Å; K429-V481 PolarHBondContact O-N 3.16Å; V479-V481 HydrophobicContact CG1-CG1 4.16Å; V481-F489 HydrophobicContact CB-CE2 3.96Å; V481-F489 HydrophobicContact CB-CZ 3.84Å; V481-F489 HydrophobicContact CG1-CZ 3.98Å; V481-F489 HydrophobicContact CG2-CE2 4.34Å; V481-S490 CarbonylContact C-O 3.55Å; V481-S490 WeakPolarHBondContact CA-O 3.28Å; V481-V491 HydrophobicContact CG1-CG2 4.06Å
482R97.6Very high95.7Very high82 Ų8231.9 Ų31.931%0.30919%0.185SC..EExtended strand (participates in β ladder)trans-147.5145.9-173.1171.4175.3-72.3-133.5-9.9111F427 S428 N484 F489 S490 C492F427-R482 VanDerWaalsContact O-CA 3.24Å; F427-R482 WeakPolarHBondContact O-CA 3.4Å; F427-R482 WeakPolarHBondContact O-CG 3.21Å; S428-R482 VanDerWaalsContact OG-CZ 3.22Å; S428-R482 PolarHBondContact OG-NE 3.22Å; S428-R482 PolarHBondContact OG-NH2 3.31Å; R482-N484 HydrophobicContact CG-CB 4.38Å; R482-F489 CarbonylContact O-C 3.59Å; R482-F489 WeakPolarHBondContact O-CA 3.45Å; R482-S490 PolarHBondContact N-O 3.07Å; R482-S490 PolarHBondContact O-N 3.46Å; R482-C492 WeakPolarHBondContact CB-SG 3.3Å
483I97.5Very high96.2Very high1 Ų131.5 Ų31.51%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-97.7117.1151.8-59.3172.7000106.3Q398 I402 F419 F425 P426 F427 I488Q398-I483 HydrophobicContact CB-CD1 3.87Å; Q398-I483 HydrophobicContact CG-CD1 3.58Å; I402-I483 HydrophobicContact CD1-CD1 4Å; I402-I483 HydrophobicContact CD1-CG1 4.26Å; F419-I483 HydrophobicContact CB-CD1 4.01Å; F419-I483 HydrophobicContact CD1-CD1 3.89Å; F419-I483 HydrophobicContact CD1-CG1 4.34Å; F419-I483 HydrophobicContact CD2-CD1 3.69Å; F419-I483 HydrophobicContact CD2-CG1 3.8Å; F419-I483 HydrophobicContact CE1-CD1 4.26Å; F419-I483 HydrophobicContact CE1-CG1 4.22Å; F419-I483 HydrophobicContact CE2-CD1 4.12Å; F419-I483 HydrophobicContact CE2-CG1 3.72Å; F419-I483 HydrophobicContact CG-CD1 3.58Å; F419-I483 HydrophobicContact CG-CG1 4.14Å; F419-I483 HydrophobicContact CZ-CD1 4.4Å; F419-I483 HydrophobicContact CZ-CG1 3.95Å; F425-I483 HydrophobicContact CB-CB 4.06Å; F425-I483 HydrophobicContact CB-CG2 3.72Å; F425-I483 HydrophobicContact CD2-CG2 4.05Å; F425-I483 HydrophobicContact CG-CG2 3.88Å; P426-I483 VanDerWaalsContact CA-O 3.3Å; P426-I483 WeakPolarHBondContact CA-O 3.33Å; F427-I483 PolarHBondContact N-O 3.34Å; F427-I483 VanDerWaalsContact N-O 3.13Å; F427-I483 PolarHBondContact O-N 2.99Å; F427-I483 VanDerWaalsContact O-N 3.07Å; I483-I488 WeakPolarHBondContact CA-O 3.37Å
484N96.2Very high96.5Very high40 Ų4029.2 Ų29.221%0.21416%0.158CC..  trans-77.9174.4-174.478.58.9000111F425 R482 S486 G487 I488F425-N484 WeakPolarHBondContact CD2-O 3.26Å; R482-N484 HydrophobicContact CG-CB 4.38Å; N484-S486 PolarHBondContact O-N 3.27Å; N484-S486 WeakPolarHBondContact OD1-CA 3.41Å; N484-S486 WeakPolarHBondContact OD1-CB 3.23Å; N484-S486 PolarHBondContact OD1-N 2.98Å; N484-G487 PolarHBondContact O-N 2.8Å; N484-G487 PolarHBondContact OD1-N 2.86Å; N484-I488 PolarHBondContact N-O 3.47Å; N484-I488 PolarHBondContact OD1-N 3.27Å
485P95.6Very high96.8Very high55 Ų5527.6 Ų27.636%0.35715%0.147SC..THydrogen-bonded Turntrans-58.4-19.5179.8-2736.2000115K169 P426 G487K169-P485 HydrophobicContact CD-CB 4.26Å; K169-P485 WeakPolarHBondContact CE-O 3.44Å; P426-P485 HydrophobicContact CB-CG 4.07Å; P426-P485 HydrophobicContact CG-CG 4.2Å; P485-G487 VanDerWaalsContact C-N 3.35Å
486S97.3Very high96.9Very high14 Ų1427.8 Ų27.810%0.09815%0.148CC..THydrogen-bonded Turntrans-89.75.2176.6-61.70000113.5R153 L170 N484 I488R153-S486 PolarHBondContact NH1-O 2.94Å; L170-S486 PolarHBondContact N-OG 3.03Å; L170-S486 WeakPolarHBondContact O-CA 3.48Å; N484-S486 PolarHBondContact O-N 3.27Å; N484-S486 WeakPolarHBondContact OD1-CA 3.41Å; N484-S486 WeakPolarHBondContact OD1-CB 3.23Å; N484-S486 PolarHBondContact OD1-N 2.98Å; S486-I488 VanDerWaalsContact C-N 3.32Å
487G96.7Very high96.8Very high5 Ų526.4 Ų26.45%0.05214%0.143CC..SBendtrans74.918.4-177.600000114.1N484 P485N484-G487 PolarHBondContact O-N 2.8Å; N484-G487 PolarHBondContact OD1-N 2.86Å; P485-G487 VanDerWaalsContact C-N 3.35Å
488I97.2Very high96.3Very high7 Ų728.4 Ų28.44%0.03615%0.152CC..  trans-99133.9-179-66.9172.6000109.6D150 R153 R154 L157 L170 I483 N484 S486D150-I488 WeakPolarHBondContact OD2-CA 3.4Å; D150-I488 WeakPolarHBondContact OD2-CG2 3.4Å; R153-I488 HydrophobicContact CB-CD1 4.1Å; R153-I488 HydrophobicContact CB-CG1 3.88Å; R154-I488 HydrophobicContact CG-CD1 4.46Å; R154-I488 VanDerWaalsContact NH2-CG2 3.3Å; L157-I488 HydrophobicContact CD1-CD1 3.41Å; L157-I488 VanDerWaalsContact CD1-CD1 3.41Å; L157-I488 HydrophobicContact CG-CD1 4.45Å; L170-I488 HydrophobicContact CD1-CD1 4.42Å; I483-I488 WeakPolarHBondContact CA-O 3.37Å; N484-I488 PolarHBondContact N-O 3.47Å; N484-I488 PolarHBondContact OD1-N 3.27Å; S486-I488 VanDerWaalsContact C-N 3.32Å
489F97.7Very high95.5Very high1 Ų133.9 Ų33.90%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-79136.6175.5177.8-85.6000110.7D150 R154 I402 L404 V418 F419 A443 I458 F461 V481 R482 V491D150-F489 PolarHBondContact OD2-N 3.1Å; R154-F489 PolarHBondContact NH2-O 3.33Å; I402-F489 HydrophobicContact CD1-CB 4.18Å; I402-F489 HydrophobicContact CD1-CD2 4.01Å; I402-F489 HydrophobicContact CD1-CG 4.44Å; I402-F489 HydrophobicContact CG2-CD2 3.93Å; I402-F489 HydrophobicContact CG2-CE2 4.03Å; L404-F489 HydrophobicContact CD2-CE1 4.28Å; L404-F489 HydrophobicContact CD2-CZ 3.74Å; L404-F489 HydrophobicContact CG-CZ 4.4Å; V418-F489 HydrophobicContact CG2-CE2 4.16Å; F419-F489 HydrophobicContact CD2-CD2 4.26Å; F419-F489 HydrophobicContact CD2-CE2 4.3Å; F419-F489 AromaticContact CE2-CD2 3.85Å; F419-F489 HydrophobicContact CE2-CD2 3.85Å; F419-F489 AromaticContact CE2-CE2 3.76Å; F419-F489 HydrophobicContact CE2-CE2 3.76Å; A443-F489 HydrophobicContact CB-CD1 3.78Å; A443-F489 HydrophobicContact CB-CE1 3.47Å; A443-F489 VanDerWaalsContact CB-CE1 3.47Å; A443-F489 HydrophobicContact CB-CZ 3.98Å; I458-F489 HydrophobicContact CD1-CB 4.47Å; I458-F489 HydrophobicContact CG2-CB 4.02Å; I458-F489 HydrophobicContact CG2-CD1 4.13Å; I458-F489 HydrophobicContact CG2-CG 4.38Å; F461-F489 HydrophobicContact CD2-CE1 4.36Å; F461-F489 AromaticContact CE2-CD1 3.98Å; F461-F489 HydrophobicContact CE2-CD1 3.98Å; F461-F489 AromaticContact CE2-CE1 3.69Å; F461-F489 HydrophobicContact CE2-CE1 3.69Å; F461-F489 AromaticContact CZ-CD1 3.93Å; F461-F489 HydrophobicContact CZ-CD1 3.93Å; F461-F489 AromaticContact CZ-CE1 3.97Å; F461-F489 HydrophobicContact CZ-CE1 3.97Å; V481-F489 HydrophobicContact CB-CE2 3.96Å; V481-F489 HydrophobicContact CB-CZ 3.84Å; V481-F489 HydrophobicContact CG1-CZ 3.98Å; V481-F489 HydrophobicContact CG2-CE2 4.34Å; R482-F489 CarbonylContact O-C 3.59Å; R482-F489 WeakPolarHBondContact O-CA 3.45Å; F489-V491 HydrophobicContact CE1-CG2 4.21Å
490S96.4Very high94.3Very high25 Ų2536.6 Ų36.618%0.17519%0.192CC..EExtended strand (participates in β ladder)trans-146.6152172.566.70000112.9V481 R482V481-S490 CarbonylContact C-O 3.55Å; V481-S490 WeakPolarHBondContact CA-O 3.28Å; R482-S490 PolarHBondContact N-O 3.07Å; R482-S490 PolarHBondContact O-N 3.46Å
491V97Very high92.9Very high11 Ų1138.7 Ų38.77%0.06721%0.206CC..EExtended strand (participates in β ladder)trans-88.899.1162.7-175.30000107.3F461 V479 V481 F489 I530F461-V491 HydrophobicContact CB-CB 4.34Å; F461-V491 HydrophobicContact CB-CG2 3.67Å; F461-V491 HydrophobicContact CD1-CB 3.94Å; F461-V491 HydrophobicContact CD1-CG2 3.6Å; F461-V491 HydrophobicContact CD2-CG2 3.78Å; F461-V491 HydrophobicContact CE1-CG2 4.16Å; F461-V491 HydrophobicContact CE2-CG2 4.33Å; F461-V491 HydrophobicContact CG-CB 4.16Å; F461-V491 HydrophobicContact CG-CG2 3.38Å; V479-V491 HydrophobicContact CG1-CG1 3.36Å; V481-V491 HydrophobicContact CG1-CG2 4.06Å; F489-V491 HydrophobicContact CE1-CG2 4.21Å; V491-I530 HydrophobicContact CB-CD1 4.41Å; V491-I530 HydrophobicContact CB-CG2 4.42Å; V491-I530 HydrophobicContact CG1-CD1 3.7Å; V491-I530 HydrophobicContact CG1-CG1 4.42Å; V491-I530 HydrophobicContact CG1-CG2 4.48Å
492C95Very high91.3Very high58 Ų5841.2 Ų41.239%0.39222%0.221SC..EExtended strand (participates in β ladder)trans-70.4-38.4-172.4-68.60000113.5K480 R482K480-C492 HydrophobicContact CB-CB 4.5Å; K480-C492 HydrophobicContact CD-CB 4.39Å; K480-C492 HydrophobicContact CG-CB 4.35Å; K480-C492 PolarHBondContact O-N 3.33Å; R482-C492 WeakPolarHBondContact CB-SG 3.3Å
493S97.3Very high89.4Confident42 Ų4241.9 Ų41.929%0.29424%0.238SC..EExtended strand (participates in β ladder)trans-160.6149.9-176.666.80000110.6V479 K480V479-S493 CarbonylContact C-O 3.6Å; V479-S493 WeakPolarHBondContact CA-O 3.49Å; K480-S493 WeakPolarHBondContact CB-OG 3.4Å; K480-S493 PolarHBondContact N-O 3.38Å
494A97.8Very high87.5Confident2 Ų248.1 Ų48.12%0.01727%0.267CS..EExtended strand (participates in β ladder)trans-129.7134.216900000107.7V463 K478 V479 L528 I530V463-A494 HydrophobicContact CG1-CB 3.67Å; V463-A494 HydrophobicContact CG2-CB 4.3Å; K478-A494 CarbonylContact O-C 3.51Å; K478-A494 WeakPolarHBondContact O-CA 3.28Å; V479-A494 HydrophobicContact CG2-CB 4.15Å; A494-L528 HydrophobicContact CB-CB 3.91Å; A494-L528 HydrophobicContact CB-CD1 4.3Å; A494-L528 WeakPolarHBondContact O-CB 3.49Å; A494-L528 PolarHBondContact O-N 3.39Å; A494-I530 HydrophobicContact CB-CD1 4.01Å; A494-I530 HydrophobicContact CB-CG1 4.04Å
495T97.8Very high85.4Confident22 Ų2252 Ų5214%0.13530%0.295CS..EExtended strand (participates in β ladder)trans-135.3135.8-176.555.90000110.9V477 K478 H497 V525 T526 D527V477-T495 CarbonylContact C-O 3.52Å; V477-T495 WeakPolarHBondContact CA-O 3.25Å; K478-T495 PolarHBondContact N-O 3.16Å; K478-T495 PolarHBondContact O-N 2.9Å; K478-T495 PolarHBondContact O-OG1 3.5Å; T495-H497 PolarHBondContact O-CD2 3.38Å; T495-H497 PolarHBondContact OG1-NE2 3.23Å; T495-V525 HydrophobicContact CG2-CG1 4.17Å; T495-T526 CarbonylContact C-O 3.53Å; T495-T526 VanDerWaalsContact CA-O 3.28Å; T495-T526 WeakPolarHBondContact CA-O 3.36Å; T495-D527 VanDerWaalsContact CG2-OD1 3.29Å; T495-D527 WeakPolarHBondContact CG2-OD1 3.48Å
496L95.7Very high83.2Confident3 Ų356.8 Ų56.82%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-95.1130.1174.5-171.1152.1000109.3V467 E498 V525 T526 L528V467-L496 HydrophobicContact CG2-CD1 4.19Å; L496-E498 HydrophobicContact CD2-CG 3.58Å; L496-E498 WeakPolarHBondContact CD2-OE1 3.28Å; L496-V525 CarbonylContact O-C 3.56Å; L496-V525 WeakPolarHBondContact O-CA 3.35Å; L496-T526 PolarHBondContact N-O 3.5Å; L496-T526 PolarHBondContact O-N 2.88Å; L496-L528 HydrophobicContact CB-CD1 4.11Å; L496-L528 HydrophobicContact CB-CD2 4.03Å; L496-L528 HydrophobicContact CB-CG 4.15Å; L496-L528 HydrophobicContact CD1-CD2 4.39Å
497H91.9Very high80.8Confident46 Ų4664 Ų6421%0.21335%0.351CS..EExtended strand (participates in β ladder)trans-114.2105.9-176.3-70.2-114.7000110.4K476 T495K476-H497 HydrophobicContact CB-CB 4.41Å; K476-H497 HydrophobicContact CD-CB 4.5Å; K476-H497 PolarHBondContact O-N 3.44Å; T495-H497 PolarHBondContact O-CD2 3.38Å; T495-H497 PolarHBondContact OG1-NE2 3.23Å
498E86.7Confident78.2Confident42 Ų4270 Ų7020%0.19639%0.388CS..EExtended strand (participates in β ladder)trans-98.2140176.4-83.5161.8-161.800111.1L496 A523 K524L496-E498 HydrophobicContact CD2-CG 3.58Å; L496-E498 WeakPolarHBondContact CD2-OE1 3.28Å; E498-A523 CarbonylContact O-C 3.54Å; E498-A523 WeakPolarHBondContact O-CA 3.45Å; E498-K524 HydrophobicContact CB-CB 4.17Å; E498-K524 PolarHBondContact N-O 3.42Å; E498-K524 PolarHBondContact O-N 3.49Å; E498-K524 WeakPolarHBondContact OE2-CD 3.25Å; E498-K524 IonicContact OE2-NZ 2.75Å; E498-K524 PolarHBondContact OE2-NZ 3.33Å
499K80.6Confident75.8Confident184 Ų18473.8 Ų73.880%0.842%0.42SS*.EExtended strand (participates in β ladder)trans-93.2107.6166.7-68.4-179-178.3177.50108.4V521K499-V521 HydrophobicContact CB-CG1 3.98Å; K499-V521 HydrophobicContact CD-CG1 4.41Å; K499-V521 HydrophobicContact CG-CG1 4.17Å
500V72.2Confident73.3Confident56 Ų5682.8 Ų82.834%0.33946%0.462SS..EExtended strand (participates in β ladder)trans-97.2117.9173.5-175.50000108.3V502 K522 K524V500-V502 HydrophobicContact CG1-CG2 3.98Å; V500-V502 PolarHBondContact O-N 3.3Å; V500-K522 PolarHBondContact N-O 3.46Å; V500-K522 PolarHBondContact O-N 3.13Å; V500-K522 VanDerWaalsContact O-O 3.13Å; V500-K524 HydrophobicContact CG2-CB 3.89Å; V500-K524 HydrophobicContact CG2-CD 4.3Å
501I69.5Low70.7Confident117 Ų11790.4 Ų90.460%0.650%0.495SS*.EExtended strand (participates in β ladder)trans-83.4113170.5-61.4170.4000106.8P519 V521I501-P519 HydrophobicContact CG2-CB 3.52Å; I501-V521 HydrophobicContact CG1-CG2 4.45Å
502V63.2Low68.4Low52 Ų5296.2 Ų96.232%0.31553%0.533SS..EExtended strand (participates in β ladder)trans-100.2115.7174.3-177.90000108V500 V520 K522V500-V502 HydrophobicContact CG1-CG2 3.98Å; V500-V502 PolarHBondContact O-N 3.3Å; V502-V520 PolarHBondContact N-O 2.92Å; V502-K522 HydrophobicContact CG2-CD 4.07Å; V502-K522 HydrophobicContact CG2-CG 4.42Å
503S58.1Low66.1Low97 Ų9797.9 Ų97.968%0.67855%0.545SS*.PPolyproline II helixtrans-82.2117.7162.750.70000108.1
504E57.7Low63.7Low131 Ų131101.3 Ų101.361%0.61258%0.576SS**PPolyproline II helixtrans-68.4133.9174.7-69.4-179.1167.500109.4
505P51.5Low61.2Low123 Ų123109.7 Ų109.780%0.79961%0.612SS**PPolyproline II helixtrans-69.5131.2173-11.225.9000110D507P505-D507 PolarHBondContact O-N 2.74Å; P505-D507 VanDerWaalsContact O-N 3.09Å
506M49.8Very low59Low155 Ų155113.4 Ų113.476%0.76464%0.639SS**  trans-57.3111170.5-84.2178.767.200110.2T508M506-T508 PolarHBondContact O-N 2.86Å; M506-T508 VanDerWaalsContact O-N 3.16Å
507D47.7Very low56.7Low164 Ų164119.7 Ų119.788%0.87767%0.668SS**  trans-65.6112.8158.5-94.9-31.5000108.1P505 A509P505-D507 PolarHBondContact O-N 2.74Å; P505-D507 VanDerWaalsContact O-N 3.09Å; D507-A509 PolarHBondContact O-N 3.05Å
508T41.3Very low54.7Low132 Ų132126 Ų12681%0.8170%0.695SS**  trans-60.8108.8174.234.90000110.8M506M506-T508 PolarHBondContact O-N 2.86Å; M506-T508 VanDerWaalsContact O-N 3.16Å
509A46.9Very low53.2Low86 Ų86128.1 Ų128.171%0.71171%0.713SS**  -179.3115.3128.800000111D507D507-A509 PolarHBondContact O-N 3.05Å
510E45.1Very low52.3Low190 Ų190122.7 Ų122.789%0.88869%0.694SS**  trans55.985.5145.7-60.5-177.4170.600118.9
511Q42.3Very low52Low185 Ų185124.1 Ų124.186%0.86470%0.703SS**  -179.5142.3110.2-95.4-171.412.800111.3S513Q511-S513 PolarHBondContact O-N 2.8Å
512P47.8Very low52.2Low134 Ų134124.1 Ų124.187%0.8770%0.699SS**  trans-83.4100-173.132.8-30.5000110.5
513S48Very low53Low92 Ų92125.4 Ų125.464%0.64372%0.715SS**  trans-127.7119.4155.170.70000108.8Q511 K515Q511-S513 PolarHBondContact O-N 2.8Å; S513-K515 PolarHBondContact O-N 2.91Å
514A46.2Very low54.4Low114 Ų114125.8 Ų125.894%0.94270%0.704SS**  trans-66.579.4178.600000110.3
515K46.1Very low56.1Low178 Ų178123.2 Ų123.277%0.77470%0.698SS**  trans-93.6111.3163.5-81.8-179.7178.3173.60107.5S513 E517S513-K515 PolarHBondContact O-N 2.91Å; K515-E517 PolarHBondContact O-N 2.92Å; K515-E517 VanDerWaalsContact O-N 3.08Å
516S50Low58.2Low100 Ų100120 Ų12070%0.69968%0.675SS**  trans-50.1112.2169.157.80000109.8K518S516-K518 PolarHBondContact O-N 3.21Å
517E48.6Very low60.5Low136 Ų136118.7 Ų118.764%0.63667%0.672SS**  trans-60.3109.9169.5-72.8175.8171.700108.3K515K515-E517 PolarHBondContact O-N 2.92Å; K515-E517 VanDerWaalsContact O-N 3.08Å
518K50.6Low62.8Low177 Ų177111.5 Ų111.577%0.7763%0.633SS**  trans-80.6122.5169.4-77.4-176.5178.7178.60107.3S516 V520S516-K518 PolarHBondContact O-N 3.21Å; K518-V520 PolarHBondContact O-N 3.4Å
519P54.6Low65.5Low88 Ų88109 Ų10957%0.57162%0.619SS**  trans-57.8126.8178.217-27000110.9I501 V521I501-P519 HydrophobicContact CG2-CB 3.52Å; P519-V521 PolarHBondContact O-N 3.19Å
520V62.3Low67.9Low69 Ų69107.4 Ų107.442%0.41860%0.598SS.*EExtended strand (participates in β ladder)trans-82.7111.4173.5-178.70000108.1V502 K518 K522V502-V520 PolarHBondContact N-O 2.92Å; K518-V520 PolarHBondContact O-N 3.4Å; V520-K522 HydrophobicContact CG1-CG 4.3Å; V520-K522 PolarHBondContact O-N 3.04Å
521V65.3Low70.3Confident87 Ų87103.6 Ų103.653%0.52758%0.582SS.*EExtended strand (participates in β ladder)trans-80.5104.6175.3-176.40000108.6K499 I501 P519K499-V521 HydrophobicContact CB-CG1 3.98Å; K499-V521 HydrophobicContact CD-CG1 4.41Å; K499-V521 HydrophobicContact CG-CG1 4.17Å; I501-V521 HydrophobicContact CG1-CG2 4.45Å; P519-V521 PolarHBondContact O-N 3.19Å
522K74.3Confident72.9Confident117 Ų117100.1 Ų100.151%0.50957%0.566SS.*EExtended strand (participates in β ladder)trans-89.9126.7170.2-68.4-174.5-179.1171.60109.1V500 V502 V520V500-K522 PolarHBondContact N-O 3.46Å; V500-K522 PolarHBondContact O-N 3.13Å; V500-K522 VanDerWaalsContact O-O 3.13Å; V502-K522 HydrophobicContact CG2-CD 4.07Å; V502-K522 HydrophobicContact CG2-CG 4.42Å; V520-K522 HydrophobicContact CG1-CG 4.3Å; V520-K522 PolarHBondContact O-N 3.04Å
523A78.6Confident75.1Confident79 Ų79100.2 Ų100.265%0.65355%0.554SS**EExtended strand (participates in β ladder)trans-84.1117.1174.400000109.5E498E498-A523 CarbonylContact O-C 3.54Å; E498-A523 WeakPolarHBondContact O-CA 3.45Å
524K88.8Confident77.3Confident104 Ų10497 Ų9745%0.45253%0.53SS..EExtended strand (participates in β ladder)trans-92.9127.6173177.9179161.6-141.40108.7E498 V500E498-K524 HydrophobicContact CB-CB 4.17Å; E498-K524 PolarHBondContact N-O 3.42Å; E498-K524 PolarHBondContact O-N 3.49Å; E498-K524 WeakPolarHBondContact OE2-CD 3.25Å; E498-K524 IonicContact OE2-NZ 2.75Å; E498-K524 PolarHBondContact OE2-NZ 3.33Å; V500-K524 HydrophobicContact CG2-CB 3.89Å; V500-K524 HydrophobicContact CG2-CD 4.3Å
525V93.3Very high79.4Confident78 Ų7893.6 Ų93.647%0.47349%0.494SS..EExtended strand (participates in β ladder)trans-114.6125.4179.2-176.10000108.4T495 L496T495-V525 HydrophobicContact CG2-CG1 4.17Å; L496-V525 CarbonylContact O-C 3.56Å; L496-V525 WeakPolarHBondContact O-CA 3.35Å
526T95.2Very high81.7Confident54 Ų5488.1 Ų88.133%0.33148%0.477SS..EExtended strand (participates in β ladder)trans-118.3126.6-180-52.70000109.2T495 L496T495-T526 CarbonylContact C-O 3.53Å; T495-T526 VanDerWaalsContact CA-O 3.28Å; T495-T526 WeakPolarHBondContact CA-O 3.36Å; L496-T526 PolarHBondContact N-O 3.5Å; L496-T526 PolarHBondContact O-N 2.88Å
527D97.5Very high83.8Confident129 Ų12984.1 Ų84.169%0.6945%0.448SS*.EExtended strand (participates in β ladder)trans-71.4136.5173.3-69-42000110.7T495T495-D527 VanDerWaalsContact CG2-OD1 3.29Å; T495-D527 WeakPolarHBondContact CG2-OD1 3.48Å
528L97.3Very high86Confident13 Ų1381.6 Ų81.67%0.06844%0.439CS..EExtended strand (participates in β ladder)trans-108.4132.4-177.9-63.2176.5000110.4V463 N464 G465 V466 V477 A494 L496V463-L528 HydrophobicContact CG1-CB 4.21Å; V463-L528 HydrophobicContact CG1-CD1 3.82Å; N464-L528 WeakPolarHBondContact O-CB 3.4Å; G465-L528 WeakPolarHBondContact O-CD2 3.36Å; V466-L528 HydrophobicContact CG2-CD1 3.69Å; V477-L528 HydrophobicContact CG1-CD1 3.73Å; V477-L528 HydrophobicContact CG2-CD1 4.27Å; A494-L528 HydrophobicContact CB-CB 3.91Å; A494-L528 HydrophobicContact CB-CD1 4.3Å; A494-L528 WeakPolarHBondContact O-CB 3.49Å; A494-L528 PolarHBondContact O-N 3.39Å; L496-L528 HydrophobicContact CB-CD1 4.11Å; L496-L528 HydrophobicContact CB-CD2 4.03Å; L496-L528 HydrophobicContact CB-CG 4.15Å; L496-L528 HydrophobicContact CD1-CD2 4.39Å
529P97.4Very high88.1Confident80 Ų8078.9 Ų78.952%0.51943%0.429SS..  trans-66.4140.3176.123.3-28.4000111.3N464N464-P529 HydrophobicContact CB-CG 3.89Å; N464-P529 PolarHBondContact N-O 2.82Å
530I97.1Very high90.1Very high51 Ų5183 Ų8326%0.26244%0.437SS..EExtended strand (participates in β ladder)trans-117.4125.6177.6-61.3155.8000108F461 M462 V491 A494F461-I530 HydrophobicContact CB-CG2 4.3Å; F461-I530 HydrophobicContact CD1-CG2 4.48Å; M462-I530 WeakPolarHBondContact O-CA 3.44Å; V491-I530 HydrophobicContact CB-CD1 4.41Å; V491-I530 HydrophobicContact CB-CG2 4.42Å; V491-I530 HydrophobicContact CG1-CD1 3.7Å; V491-I530 HydrophobicContact CG1-CG1 4.42Å; V491-I530 HydrophobicContact CG1-CG2 4.48Å; A494-I530 HydrophobicContact CB-CD1 4.01Å; A494-I530 HydrophobicContact CB-CG1 4.04Å
531M95.9Very high91.7Very high111 Ų11181.8 Ų81.855%0.54743%0.427SS..EExtended strand (participates in β ladder)trans-101.8127.3167.7-56.4-176.7-52.300108.9F461 M462 N464F461-M531 CarbonylContact C-O 3.5Å; F461-M531 WeakPolarHBondContact CA-O 3.12Å; M462-M531 HydrophobicContact CB-CB 4.22Å; M462-M531 HydrophobicContact CB-CE 4.07Å; M462-M531 HydrophobicContact CG-CE 3.99Å; M462-M531 PolarHBondContact N-O 3.47Å; M462-M531 PolarHBondContact O-N 3.08Å; N464-M531 WeakPolarHBondContact ND2-CE 3.41Å; N464-M531 PolarHBondContact ND2-SD 3.3Å; N464-M531 VanDerWaalsContact ND2-SD 3.42Å
532E95.3Very high93.1Very high112 Ų11278.5 Ų78.552%0.52341%0.407SS..EExtended strand (participates in β ladder)trans-104.3141.9179.162.1179.9-154.100112.1F461F461-E532 HydrophobicContact CD1-CB 3.79Å; F461-E532 HydrophobicContact CE1-CB 3.88Å
533Q94.3Very high94.3Very high135 Ų13575.9 Ų75.963%0.63140%0.399SS*.EExtended strand (participates in β ladder)trans-128.799171.5-176.6-177.28.100107.1G459 K460G459-Q533 CarbonylContact C-O 3.53Å; G459-Q533 WeakPolarHBondContact CA-O 3.35Å; K460-Q533 HydrophobicContact CB-CB 4.36Å; K460-Q533 PolarHBondContact N-O 2.9Å; K460-Q533 PolarHBondContact O-N 3.45Å
534V94.7Very high95.2Very high24 Ų2476.6 Ų76.615%0.14539%0.391CS..EExtended strand (participates in β ladder)trans-126.4169.9-174.8-67.90000109.6F461 C536F461-V534 HydrophobicContact CE1-CG1 4.15Å; F461-V534 HydrophobicContact CZ-CG1 3.89Å; V534-C536 PolarHBondContact O-N 2.96Å; V534-C536 VanDerWaalsContact O-N 3.1Å
535Y91.1Very high95.6Very high44 Ų4472.6 Ų72.617%0.17337%0.374CS..SBendtrans-72.1101.7169.7-172.4-77.6000109.4K74 A151 R154 A155K74-Y535 HydrophobicContact CD-CE2 4.46Å; A151-Y535 HydrophobicContact CB-CD1 4.01Å; A151-Y535 HydrophobicContact CB-CD2 4.28Å; A151-Y535 HydrophobicContact CB-CG 3.77Å; R154-Y535 WeakPolarHBondContact CB-O 3.49Å; R154-Y535 WeakPolarHBondContact CD-O 3.49Å; A155-Y535 HydrophobicContact CB-CE1 4.14Å
536C93.4Very high95.8Very high63 Ų6371.6 Ų71.643%0.42637%0.365SS..SBendtrans-155.9166168.163.20000108.8D158 V534D158-C536 VanDerWaalsContact OD2-CA 3.31Å; D158-C536 WeakPolarHBondContact OD2-CA 3.44Å; V534-C536 PolarHBondContact O-N 2.96Å; V534-C536 VanDerWaalsContact O-N 3.1Å
537L94.4Very high95.9Very high15 Ų1577.2 Ų77.28%0.07938%0.38CS..  trans-65.5141.9166.2-61.8-178.3000110.2L113 D158 I162 E541 L542 F545L113-L537 HydrophobicContact CD1-CD2 3.75Å; D158-L537 HydrophobicContact CB-CD1 4.02Å; D158-L537 HydrophobicContact CB-CG 4.12Å; D158-L537 PolarHBondContact OD2-N 3.38Å; I162-L537 HydrophobicContact CD1-CD1 4.07Å; L537-E541 HydrophobicContact CB-CB 4.41Å; L537-L542 HydrophobicContact CB-CB 4.4Å; L537-L542 HydrophobicContact CD1-CD1 4.42Å; L537-F545 HydrophobicContact CD1-CD2 3.63Å; L537-F545 HydrophobicContact CD1-CE2 3.84Å; L537-F545 HydrophobicContact CD2-CE2 4.11Å
538D94.1Very high95.7Very high84 Ų8474 Ų7445%0.44936%0.361SS..  trans-73.4161.4167.774.752.3000110.6K540 E541 L542D538-K540 PolarHBondContact O-N 2.94Å; D538-K540 WeakPolarHBondContact OD1-CA 3.3Å; D538-K540 WeakPolarHBondContact OD1-CB 3.13Å; D538-K540 PolarHBondContact OD1-N 3.22Å; D538-E541 PolarHBondContact O-N 3.1Å; D538-E541 PolarHBondContact OD1-N 2.99Å; D538-L542 WeakPolarHBondContact O-CB 3.32Å; D538-L542 PolarHBondContact O-N 3.13Å
539Q94.6Very high95.6Very high119 Ų11973.7 Ų73.756%0.55636%0.36SS*.Hα-helixtrans-59.2-32.4-175.3-168.962.748.400113D543Q539-D543 PolarHBondContact NE2-OD1 3.45Å; Q539-D543 VanDerWaalsContact O-CB 3.3Å; Q539-D543 WeakPolarHBondContact O-CB 3.37Å; Q539-D543 PolarHBondContact O-N 3.26Å
540K96.8Very high95.4Very high174 Ų17476.7 Ų76.776%0.75736%0.361SS*.Hα-helixtrans-72.6-43.5-179.3-63.1178.1179.9175.50110.9D538 L542 L544D538-K540 PolarHBondContact O-N 2.94Å; D538-K540 WeakPolarHBondContact OD1-CA 3.3Å; D538-K540 WeakPolarHBondContact OD1-CB 3.13Å; D538-K540 PolarHBondContact OD1-N 3.22Å; K540-L542 VanDerWaalsContact C-N 3.34Å; K540-L544 WeakPolarHBondContact O-CB 3.31Å; K540-L544 PolarHBondContact O-N 2.71Å
541E95.6Very high95.2Very high44 Ų4478 Ų7821%0.20637%0.372CS..Hα-helixtrans-61.2-45.7173.2-69.4-170125.200110.6R98 L537 D538 L544 F545R98-E541 IonicContact CZ-OE1 3.97Å; R98-E541 VanDerWaalsContact CZ-OE1 3.28Å; R98-E541 IonicContact CZ-OE2 2.64Å; R98-E541 VanDerWaalsContact NH1-CD 3.31Å; R98-E541 IonicContact NH1-OE1 2.71Å; R98-E541 PolarHBondContact NH1-OE1 3.48Å; R98-E541 IonicContact NH1-OE2 3.7Å; R98-E541 PolarHBondContact NH1-OE2 2.92Å; R98-E541 IonicContact NH2-OE1 2.65Å; R98-E541 PolarHBondContact NH2-OE1 3.28Å; R98-E541 IonicContact NH2-OE2 3.08Å; L537-E541 HydrophobicContact CB-CB 4.41Å; D538-E541 PolarHBondContact O-N 3.1Å; D538-E541 PolarHBondContact OD1-N 2.99Å; E541-L544 WeakPolarHBondContact O-CB 3.44Å; E541-L544 PolarHBondContact O-N 2.9Å; E541-F545 HydrophobicContact CB-CE2 4.03Å; E541-F545 HydrophobicContact CB-CZ 4.47Å; E541-F545 WeakPolarHBondContact O-CD2 3.38Å; E541-F545 VanDerWaalsContact O-CG 3.24Å; E541-F545 WeakPolarHBondContact O-CG 3.29Å; E541-F545 PolarHBondContact O-N 2.91Å
542L96.6Very high95Very high19 Ų1973.4 Ų73.410%0.09935%0.349CS..Hα-helixtrans-60.8-50.4179-175.761.3000111.8I162 L537 D538 K540 L544 F545 I546I162-L542 HydrophobicContact CG1-CD1 3.73Å; L537-L542 HydrophobicContact CB-CB 4.4Å; L537-L542 HydrophobicContact CD1-CD1 4.42Å; D538-L542 WeakPolarHBondContact O-CB 3.32Å; D538-L542 PolarHBondContact O-N 3.13Å; K540-L542 VanDerWaalsContact C-N 3.34Å; L542-L544 VanDerWaalsContact C-N 3.28Å; L542-L544 PolarHBondContact O-N 2.95Å; L542-F545 PolarHBondContact O-N 3.05Å; L542-I546 HydrophobicContact CD1-CD1 4.27Å; L542-I546 HydrophobicContact CD1-CG1 4.5Å; L542-I546 HydrophobicContact CG-CD1 3.93Å; L542-I546 VanDerWaalsContact O-CG1 3.3Å; L542-I546 WeakPolarHBondContact O-CG1 3.49Å; L542-I546 PolarHBondContact O-N 3.22Å
543D97.7Very high94.8Very high62 Ų6270.9 Ų70.933%0.33233%0.334SS..Hα-helixtrans-59.6-38.5177.4-72.6-13.8000112Q539 R547Q539-D543 PolarHBondContact NE2-OD1 3.45Å; Q539-D543 VanDerWaalsContact O-CB 3.3Å; Q539-D543 WeakPolarHBondContact O-CB 3.37Å; Q539-D543 PolarHBondContact O-N 3.26Å; D543-R547 VanDerWaalsContact O-CG 3.26Å; D543-R547 WeakPolarHBondContact O-CG 3.25Å; D543-R547 PolarHBondContact O-N 3.07Å; D543-R547 VanDerWaalsContact O-N 3.12Å
544L97.7Very high94.7Very high93 Ų9367.4 Ų67.449%0.48732%0.318SS..Hα-helixtrans-63.5-48176.1175.963.6000110.9K540 E541 L542 R547 M548K540-L544 WeakPolarHBondContact O-CB 3.31Å; K540-L544 PolarHBondContact O-N 2.71Å; E541-L544 WeakPolarHBondContact O-CB 3.44Å; E541-L544 PolarHBondContact O-N 2.9Å; L542-L544 VanDerWaalsContact C-N 3.28Å; L542-L544 PolarHBondContact O-N 2.95Å; L544-R547 PolarHBondContact O-N 3.29Å; L544-M548 HydrophobicContact CD1-CG 4.43Å; L544-M548 HydrophobicContact CD1-SD 4.4Å; L544-M548 HydrophobicContact CG-SD 4.16Å; L544-M548 WeakPolarHBondContact O-CG 3.49Å; L544-M548 PolarHBondContact O-N 3.24Å
545F97.7Very high94.5Very high21 Ų2167 Ų679%0.09231%0.314CS..Hα-helixtrans-70-35.8-178.2-59.8-31.2000112.7L113 Q116 I162 L537 E541 L542 R547 M548 D549L113-F545 HydrophobicContact CD1-CE2 3.54Å; L113-F545 HydrophobicContact CD1-CZ 3.78Å; L113-F545 HydrophobicContact CG-CE2 4.45Å; L113-F545 HydrophobicContact CG-CZ 4.34Å; Q116-F545 HydrophobicContact CG-CB 4.3Å; Q116-F545 HydrophobicContact CG-CD1 4.16Å; Q116-F545 HydrophobicContact CG-CD2 4.12Å; Q116-F545 HydrophobicContact CG-CG 3.93Å; I162-F545 HydrophobicContact CD1-CB 3.81Å; I162-F545 HydrophobicContact CD1-CD2 4.13Å; I162-F545 HydrophobicContact CD1-CG 4.42Å; I162-F545 HydrophobicContact CG1-CB 3.96Å; I162-F545 HydrophobicContact CG2-CB 4.34Å; L537-F545 HydrophobicContact CD1-CD2 3.63Å; L537-F545 HydrophobicContact CD1-CE2 3.84Å; L537-F545 HydrophobicContact CD2-CE2 4.11Å; E541-F545 HydrophobicContact CB-CE2 4.03Å; E541-F545 HydrophobicContact CB-CZ 4.47Å; E541-F545 WeakPolarHBondContact O-CD2 3.38Å; E541-F545 VanDerWaalsContact O-CG 3.24Å; E541-F545 WeakPolarHBondContact O-CG 3.29Å; E541-F545 PolarHBondContact O-N 2.91Å; L542-F545 PolarHBondContact O-N 3.05Å; F545-R547 VanDerWaalsContact C-N 3.31Å; F545-R547 PolarHBondContact O-N 2.9Å; F545-M548 HydrophobicContact CD1-SD 4.03Å; F545-M548 PolarHBondContact O-N 2.83Å; F545-D549 WeakPolarHBondContact O-CB 3.46Å; F545-D549 PolarHBondContact O-N 2.77Å
546I97.8Very high94.4Very high56 Ų5666.2 Ų66.229%0.28732%0.317SS..Hα-helixtrans-56.1-47.4169.9-72164.9000110.2L542 R550L542-I546 HydrophobicContact CD1-CD1 4.27Å; L542-I546 HydrophobicContact CD1-CG1 4.5Å; L542-I546 HydrophobicContact CG-CD1 3.93Å; L542-I546 VanDerWaalsContact O-CG1 3.3Å; L542-I546 WeakPolarHBondContact O-CG1 3.49Å; L542-I546 PolarHBondContact O-N 3.22Å; I546-R550 WeakPolarHBondContact O-CB 3.24Å; I546-R550 PolarHBondContact O-N 3.33Å
547R97.1Very high94.3Very high173 Ų17367.4 Ų67.465%0.65332%0.319SS*.Hα-helixtrans-64-43.4178.6-71.1172.7-167-1705112.1D543 L544 F545 T551D543-R547 VanDerWaalsContact O-CG 3.26Å; D543-R547 WeakPolarHBondContact O-CG 3.25Å; D543-R547 PolarHBondContact O-N 3.07Å; D543-R547 VanDerWaalsContact O-N 3.12Å; L544-R547 PolarHBondContact O-N 3.29Å; F545-R547 VanDerWaalsContact C-N 3.31Å; F545-R547 PolarHBondContact O-N 2.9Å; R547-T551 WeakPolarHBondContact O-CB 3.36Å; R547-T551 PolarHBondContact O-N 2.87Å; R547-T551 PolarHBondContact O-OG1 3.35Å
548M94.2Very high94.3Very high61 Ų6167.2 Ų67.230%0.332%0.32SS..Hα-helixtrans-61.8-47.9179-72.6176.866.800111.5L544 F545 T551 E552L544-M548 HydrophobicContact CD1-CG 4.43Å; L544-M548 HydrophobicContact CD1-SD 4.4Å; L544-M548 HydrophobicContact CG-SD 4.16Å; L544-M548 WeakPolarHBondContact O-CG 3.49Å; L544-M548 PolarHBondContact O-N 3.24Å; F545-M548 HydrophobicContact CD1-SD 4.03Å; F545-M548 PolarHBondContact O-N 2.83Å; M548-T551 WeakPolarHBondContact O-CB 3.35Å; M548-T551 PolarHBondContact O-N 2.82Å; M548-E552 PolarHBondContact O-N 3.31Å; M548-E552 VanDerWaalsContact O-N 3.13Å
549D94.3Very high94.3Very high7 Ų764.2 Ų64.24%0.03730%0.303CS..Hα-helixtrans-66-44-179.4-16570.7000111.6R46 I162 F545 T551 E552 R553R46-D549 IonicContact CZ-OD1 2.66Å; R46-D549 IonicContact NH1-OD1 3.69Å; R46-D549 PolarHBondContact NH1-OD1 2.83Å; R46-D549 IonicContact NH2-OD1 3.7Å; R46-D549 PolarHBondContact NH2-OD1 3.29Å; I162-D549 HydrophobicContact CG2-CB 3.8Å; F545-D549 WeakPolarHBondContact O-CB 3.46Å; F545-D549 PolarHBondContact O-N 2.77Å; D549-T551 VanDerWaalsContact C-N 3.25Å; D549-T551 PolarHBondContact O-N 2.87Å; D549-E552 PolarHBondContact O-N 3.17Å; D549-E552 VanDerWaalsContact O-N 3.1Å; D549-R553 PolarHBondContact O-N 2.89Å; D549-R553 IonicContact OD2-NH2 3.57Å; D549-R553 PolarHBondContact OD2-NH2 3.43Å; D549-R553 VanDerWaalsContact OD2-NH2 3.11Å
550R94.2Very high94.1Very high143 Ų14361.8 Ų61.854%0.5429%0.294SS..Hα-helixtrans-56.1-38.2172-179.7178.6170.3177.9-2112.8I546 R553 E554I546-R550 WeakPolarHBondContact O-CB 3.24Å; I546-R550 PolarHBondContact O-N 3.33Å; R550-R553 WeakPolarHBondContact O-CB 3.12Å; R550-R553 PolarHBondContact O-N 3.3Å; R550-E554 HydrophobicContact CG-CG 4.33Å; R550-E554 IonicContact CZ-OE1 2.68Å; R550-E554 IonicContact NE-OE1 3.33Å; R550-E554 PolarHBondContact NE-OE1 3.04Å; R550-E554 IonicContact NH2-OE1 3.54Å; R550-E554 PolarHBondContact NH2-OE1 3.4Å; R550-E554 WeakPolarHBondContact O-CB 3.5Å; R550-E554 WeakPolarHBondContact O-CG 3.39Å; R550-E554 PolarHBondContact O-N 3.33Å
551T92.3Very high94Very high79 Ų7955.2 Ų55.249%0.48527%0.272SS..Hα-helixtrans-68.3-39.2178.2-56.20000111.5R547 M548 D549 R553 K555R547-T551 WeakPolarHBondContact O-CB 3.36Å; R547-T551 PolarHBondContact O-N 2.87Å; R547-T551 PolarHBondContact O-OG1 3.35Å; M548-T551 WeakPolarHBondContact O-CB 3.35Å; M548-T551 PolarHBondContact O-N 2.82Å; D549-T551 VanDerWaalsContact C-N 3.25Å; D549-T551 PolarHBondContact O-N 2.87Å; T551-R553 VanDerWaalsContact C-N 3.34Å; T551-K555 WeakPolarHBondContact O-CB 3.46Å; T551-K555 PolarHBondContact O-N 2.93Å
552E91.6Very high94Very high14 Ų1453.1 Ų53.17%0.06526%0.262CS..Hα-helixtrans-63.9-41.3173.7-65.4-59.2153.800111.3H105 R110 M548 D549 K555 A556H105-E552 IonicContact CD2-OE1 3.11Å; H105-E552 IonicContact CE1-OE2 3.36Å; H105-E552 VanDerWaalsContact NE2-CD 3.34Å; H105-E552 IonicContact NE2-OE1 3.42Å; H105-E552 PolarHBondContact NE2-OE1 3.31Å; H105-E552 IonicContact NE2-OE2 2.63Å; H105-E552 PolarHBondContact NE2-OE2 2.84Å; R110-E552 IonicContact CZ-OE1 3.24Å; R110-E552 IonicContact NH1-OE1 3.9Å; R110-E552 PolarHBondContact NH1-OE1 3.02Å; R110-E552 IonicContact NH2-OE1 3.18Å; R110-E552 PolarHBondContact NH2-OE1 3.34Å; M548-E552 PolarHBondContact O-N 3.31Å; M548-E552 VanDerWaalsContact O-N 3.13Å; D549-E552 PolarHBondContact O-N 3.17Å; D549-E552 VanDerWaalsContact O-N 3.1Å; E552-K555 PolarHBondContact O-N 3.11Å; E552-K555 IonicContact OE1-NZ 2.95Å; E552-K555 WeakPolarHBondContact OE2-CE 3.42Å; E552-K555 IonicContact OE2-NZ 3.22Å; E552-K555 PolarHBondContact OE2-NZ 3.24Å; E552-A556 PolarHBondContact O-N 3.39Å; E552-A556 VanDerWaalsContact O-N 3.08Å
553R90.6Very high93.9Very high58 Ų5854.5 Ų54.522%0.21927%0.268CS..Hα-helixtrans-61.2-55.8175.9-170.8-171.4-52.8147.412.9112.8E123 D549 R550 T551 K555 A556 D557E123-R553 VanDerWaalsContact OE1-CB 3.22Å; E123-R553 WeakPolarHBondContact OE1-CB 3.33Å; E123-R553 WeakPolarHBondContact OE1-CD 3.34Å; E123-R553 WeakPolarHBondContact OE1-CG 3.2Å; E123-R553 IonicContact OE1-CZ 2.66Å; E123-R553 IonicContact OE1-NE 3.71Å; E123-R553 PolarHBondContact OE1-NE 2.87Å; E123-R553 IonicContact OE1-NH2 3.07Å; E123-R553 PolarHBondContact OE1-NH2 2.72Å; D549-R553 PolarHBondContact O-N 2.89Å; D549-R553 IonicContact OD2-NH2 3.57Å; D549-R553 PolarHBondContact OD2-NH2 3.43Å; D549-R553 VanDerWaalsContact OD2-NH2 3.11Å; R550-R553 WeakPolarHBondContact O-CB 3.12Å; R550-R553 PolarHBondContact O-N 3.3Å; T551-R553 VanDerWaalsContact C-N 3.34Å; R553-K555 PolarHBondContact O-N 3.25Å; R553-K555 VanDerWaalsContact O-N 3.08Å; R553-A556 WeakPolarHBondContact O-CA 3.44Å; R553-A556 PolarHBondContact O-N 3.32Å; R553-D557 PolarHBondContact O-N 3.34Å
554E92.6Very high93.7Very high62 Ų6257.9 Ų57.929%0.2928%0.282SS..Hα-helixtrans-57.4-31.4-177.8-75.7179-176.800111.9R550 A558R550-E554 HydrophobicContact CG-CG 4.33Å; R550-E554 IonicContact CZ-OE1 2.68Å; R550-E554 IonicContact NE-OE1 3.33Å; R550-E554 PolarHBondContact NE-OE1 3.04Å; R550-E554 IonicContact NH2-OE1 3.54Å; R550-E554 PolarHBondContact NH2-OE1 3.4Å; R550-E554 WeakPolarHBondContact O-CB 3.5Å; R550-E554 WeakPolarHBondContact O-CG 3.39Å; R550-E554 PolarHBondContact O-N 3.33Å; E554-A558 VanDerWaalsContact O-CB 3.25Å; E554-A558 WeakPolarHBondContact O-CB 3.37Å; E554-A558 PolarHBondContact O-N 3.46Å
555K90.4Very high93.6Very high15 Ų1554.5 Ų54.57%0.06526%0.263CS..Hα-helixtrans-72.3-44.2174.6-176.7178.242.4175.80112.5N44 L45 T551 E552 R553 A558 K559 T609 Y612N44-K555 WeakPolarHBondContact O-CE 3.48Å; N44-K555 PolarHBondContact O-NZ 2.92Å; L45-K555 HydrophobicContact CD2-CD 4.01Å; L45-K555 HydrophobicContact CD2-CG 3.79Å; T551-K555 WeakPolarHBondContact O-CB 3.46Å; T551-K555 PolarHBondContact O-N 2.93Å; E552-K555 PolarHBondContact O-N 3.11Å; E552-K555 IonicContact OE1-NZ 2.95Å; E552-K555 WeakPolarHBondContact OE2-CE 3.42Å; E552-K555 IonicContact OE2-NZ 3.22Å; E552-K555 PolarHBondContact OE2-NZ 3.24Å; R553-K555 PolarHBondContact O-N 3.25Å; R553-K555 VanDerWaalsContact O-N 3.08Å; K555-A558 PolarHBondContact O-N 3.25Å; K555-K559 PolarHBondContact O-N 2.95Å; K555-T609 WeakPolarHBondContact CA-OG1 3.33Å; K555-T609 WeakPolarHBondContact CB-OG1 3.44Å; K555-Y612 HydrophobicContact CG-CE2 4.45Å
556A89.2Confident93.5Very high29 Ų2953.5 Ų53.524%0.2426%0.259CS..Hα-helixtrans-63.4-46.417500000111.2E552 R553 A558 K559 N560E552-A556 PolarHBondContact O-N 3.39Å; E552-A556 VanDerWaalsContact O-N 3.08Å; R553-A556 WeakPolarHBondContact O-CA 3.44Å; R553-A556 PolarHBondContact O-N 3.32Å; A556-A558 VanDerWaalsContact C-N 3.31Å; A556-A558 PolarHBondContact O-N 3.4Å; A556-K559 PolarHBondContact O-N 2.93Å; A556-N560 WeakPolarHBondContact O-CB 3.38Å; A556-N560 VanDerWaalsContact O-CG 3.23Å; A556-N560 PolarHBondContact O-N 3.25Å; A556-N560 PolarHBondContact O-OD1 3.4Å
557D91.5Very high93.3Very high87 Ų8755.7 Ų55.747%0.46526%0.264SS..Hα-helixtrans-59-41.9176.4-68.4-14.7000111.6R553 K559 N560 A561R553-D557 PolarHBondContact O-N 3.34Å; D557-K559 PolarHBondContact O-N 2.86Å; D557-N560 PolarHBondContact O-N 2.99Å; D557-A561 VanDerWaalsContact O-CB 3.28Å; D557-A561 WeakPolarHBondContact O-CB 3.44Å; D557-A561 PolarHBondContact O-N 2.84Å
558A94.2Very high93.1Very high11 Ų1151.5 Ų51.59%0.09125%0.251CS..Hα-helixtrans-63.9-40.3177.800000112.2E554 K555 A556 V562 T609 Y612 R613E554-A558 VanDerWaalsContact O-CB 3.25Å; E554-A558 WeakPolarHBondContact O-CB 3.37Å; E554-A558 PolarHBondContact O-N 3.46Å; K555-A558 PolarHBondContact O-N 3.25Å; A556-A558 VanDerWaalsContact C-N 3.31Å; A556-A558 PolarHBondContact O-N 3.4Å; A558-V562 WeakPolarHBondContact O-CG2 3.23Å; A558-V562 PolarHBondContact O-N 2.77Å; A558-T609 HydrophobicContact CB-CG2 3.86Å; A558-Y612 HydrophobicContact CB-CD2 4.34Å; A558-R613 HydrophobicContact CB-CG 4.47Å
559K93.1Very high93.1Very high21 Ų2148.9 Ų48.99%0.09124%0.239CC..Hα-helixtrans-65.2-49.5174-179.6176.7176.31780111.3L45 K555 A556 D557 A561 V562 E563 L600 E605 Y612L45-K559 HydrophobicContact CD1-CD 3.37Å; K555-K559 PolarHBondContact O-N 2.95Å; A556-K559 PolarHBondContact O-N 2.93Å; D557-K559 PolarHBondContact O-N 2.86Å; K559-A561 PolarHBondContact O-N 2.68Å; K559-V562 WeakPolarHBondContact O-CB 3.06Å; K559-V562 PolarHBondContact O-N 3.46Å; K559-E563 PolarHBondContact O-N 2.9Å; K559-E563 VanDerWaalsContact O-N 3.09Å; K559-L600 HydrophobicContact CG-CD2 3.98Å; K559-E605 PolarHBondContact NZ-O 3.28Å; K559-Y612 HydrophobicContact CB-CD1 4.08Å; K559-Y612 HydrophobicContact CB-CD2 4.17Å; K559-Y612 HydrophobicContact CB-CE1 3.9Å; K559-Y612 HydrophobicContact CB-CE2 3.98Å; K559-Y612 HydrophobicContact CB-CG 4.21Å; K559-Y612 HydrophobicContact CD-CE1 4.18Å; K559-Y612 HydrophobicContact CG-CD1 4.29Å; K559-Y612 HydrophobicContact CG-CE1 3.83Å
560N91.4Very high93.1Very high69 Ų6950.5 Ų50.537%0.36924%0.244SC..Hα-helixtrans-59.1-37-179.8-67.5-6.5000111.2A556 D557 V562 E563 E564A556-N560 WeakPolarHBondContact O-CB 3.38Å; A556-N560 VanDerWaalsContact O-CG 3.23Å; A556-N560 PolarHBondContact O-N 3.25Å; A556-N560 PolarHBondContact O-OD1 3.4Å; D557-N560 PolarHBondContact O-N 2.99Å; N560-V562 VanDerWaalsContact C-N 3.32Å; N560-V562 PolarHBondContact O-N 3.48Å; N560-E563 PolarHBondContact O-N 3.19Å; N560-E564 VanDerWaalsContact O-CB 3.3Å; N560-E564 WeakPolarHBondContact O-CB 3.48Å; N560-E564 PolarHBondContact O-N 3.29Å
561A95Very high93.1Very high36 Ų3650.8 Ų50.830%0.29825%0.252SS..Hα-helixtrans-65-32.2176.600000113.4D557 K559 Y565 L616D557-A561 VanDerWaalsContact O-CB 3.28Å; D557-A561 WeakPolarHBondContact O-CB 3.44Å; D557-A561 PolarHBondContact O-N 2.84Å; K559-A561 PolarHBondContact O-N 2.68Å; A561-Y565 VanDerWaalsContact O-CB 3.25Å; A561-Y565 WeakPolarHBondContact O-CB 3.37Å; A561-Y565 PolarHBondContact O-N 3.42Å; A561-L616 HydrophobicContact CB-CD2 3.91Å
562V95.5Very high93.2Very high0 Ų050.4 Ų50.40%024%0.243CC..Hα-helixtrans-69.7-48.2171.8-176.50000109.8A558 K559 N560 Y565 V566 T596 L600 Y612 L616 L619A558-V562 WeakPolarHBondContact O-CG2 3.23Å; A558-V562 PolarHBondContact O-N 2.77Å; K559-V562 WeakPolarHBondContact O-CB 3.06Å; K559-V562 PolarHBondContact O-N 3.46Å; N560-V562 VanDerWaalsContact C-N 3.32Å; N560-V562 PolarHBondContact O-N 3.48Å; V562-Y565 PolarHBondContact O-N 3.49Å; V562-V566 HydrophobicContact CG1-CG2 4.42Å; V562-V566 VanDerWaalsContact O-CG2 3.29Å; V562-V566 WeakPolarHBondContact O-CG2 3.43Å; V562-V566 PolarHBondContact O-N 2.89Å; V562-T596 HydrophobicContact CG1-CG2 3.81Å; V562-L600 HydrophobicContact CB-CD1 4.38Å; V562-L600 HydrophobicContact CB-CD2 4.24Å; V562-L600 HydrophobicContact CG1-CD1 3.94Å; V562-L600 HydrophobicContact CG1-CD2 4.16Å; V562-L600 HydrophobicContact CG1-CG 4.29Å; V562-Y612 HydrophobicContact CG2-CD1 4.49Å; V562-Y612 VanDerWaalsContact CG2-O 3.25Å; V562-Y612 WeakPolarHBondContact CG2-O 3.34Å; V562-L616 HydrophobicContact CG2-CB 3.99Å; V562-L619 HydrophobicContact CG1-CD1 4.19Å
563E93.8Very high93.3Very high48 Ų4849.7 Ų49.722%0.22424%0.24CC..Hα-helixtrans-59.9-50.7-178.9-175.2174-152.800111.8K559 N560 Y565 V566 Y567 L600 Y601K559-E563 PolarHBondContact O-N 2.9Å; K559-E563 VanDerWaalsContact O-N 3.09Å; N560-E563 PolarHBondContact O-N 3.19Å; E563-Y565 PolarHBondContact O-N 3.09Å; E563-V566 PolarHBondContact O-N 3.5Å; E563-Y567 HydrophobicContact CG-CD2 3.89Å; E563-Y567 HydrophobicContact CG-CE2 3.53Å; E563-Y567 WeakPolarHBondContact O-CD2 3.5Å; E563-Y567 PolarHBondContact O-N 2.66Å; E563-Y567 VanDerWaalsContact O-N 3.08Å; E563-L600 HydrophobicContact CB-CD1 3.99Å; E563-Y601 PolarHBondContact OE1-OH 3.17Å
564E93.7Very high93.4Very high132 Ų13251 Ų5162%0.61725%0.251SS*.Hα-helixtrans-58.6-46.5177-175.8176.9-16600111.3N560 V566 Y567 E568N560-E564 VanDerWaalsContact O-CB 3.3Å; N560-E564 WeakPolarHBondContact O-CB 3.48Å; N560-E564 PolarHBondContact O-N 3.29Å; E564-V566 VanDerWaalsContact C-N 3.34Å; E564-V566 PolarHBondContact O-N 3.26Å; E564-Y567 PolarHBondContact O-N 3.49Å; E564-E568 VanDerWaalsContact O-CB 3.28Å; E564-E568 WeakPolarHBondContact O-CB 3.42Å; E564-E568 PolarHBondContact O-N 3.38Å
565Y95.2Very high93.4Very high22 Ų2253.9 Ų53.99%0.08627%0.269CS..Hα-helixtrans-60.4-43.8177.5-176.2-88.9000111.7A561 V562 E563 Y567 E568 I569 F589 L616 L619 K620A561-Y565 VanDerWaalsContact O-CB 3.25Å; A561-Y565 WeakPolarHBondContact O-CB 3.37Å; A561-Y565 PolarHBondContact O-N 3.42Å; V562-Y565 PolarHBondContact O-N 3.49Å; E563-Y565 PolarHBondContact O-N 3.09Å; Y565-Y567 PolarHBondContact O-N 3.16Å; Y565-E568 PolarHBondContact O-N 3.48Å; Y565-I569 HydrophobicContact CD1-CB 4.42Å; Y565-I569 HydrophobicContact CD1-CG2 4.02Å; Y565-I569 HydrophobicContact CE1-CB 4.09Å; Y565-I569 HydrophobicContact CE1-CG1 4.31Å; Y565-I569 HydrophobicContact CE1-CG2 3.8Å; Y565-I569 VanDerWaalsContact O-CB 3.27Å; Y565-I569 WeakPolarHBondContact O-CB 3.49Å; Y565-I569 WeakPolarHBondContact O-CG2 3.45Å; Y565-I569 PolarHBondContact O-N 2.99Å; Y565-F589 HydrophobicContact CE1-CZ 4.36Å; Y565-L616 HydrophobicContact CD1-CD1 4.19Å; Y565-L616 HydrophobicContact CD2-CD1 4.1Å; Y565-L616 HydrophobicContact CG-CD1 3.69Å; Y565-L619 HydrophobicContact CD1-CB 3.97Å; Y565-L619 HydrophobicContact CD1-CD1 3.91Å; Y565-L619 HydrophobicContact CE1-CB 3.65Å; Y565-L619 HydrophobicContact CE1-CD1 4.36Å; Y565-K620 HydrophobicContact CD2-CG 4.3Å; Y565-K620 HydrophobicContact CE2-CD 4.35Å; Y565-K620 HydrophobicContact CE2-CG 3.64Å
566V95.2Very high93.6Very high1 Ų155.1 Ų55.11%0.00628%0.28CS..Hα-helixtrans-59.9-47.1179.3167.60000111V562 E563 E564 R570 L593 T596 E597 L619V562-V566 HydrophobicContact CG1-CG2 4.42Å; V562-V566 VanDerWaalsContact O-CG2 3.29Å; V562-V566 WeakPolarHBondContact O-CG2 3.43Å; V562-V566 PolarHBondContact O-N 2.89Å; E563-V566 PolarHBondContact O-N 3.5Å; E564-V566 VanDerWaalsContact C-N 3.34Å; E564-V566 PolarHBondContact O-N 3.26Å; V566-R570 WeakPolarHBondContact O-CB 3.47Å; V566-R570 PolarHBondContact O-N 3.4Å; V566-R570 VanDerWaalsContact O-N 3.12Å; V566-L593 HydrophobicContact CG1-CB 4.4Å; V566-L593 HydrophobicContact CG2-CD2 4.21Å; V566-T596 HydrophobicContact CG2-CG2 4.06Å; V566-E597 HydrophobicContact CG1-CB 4.21Å; V566-L619 HydrophobicContact CG2-CD1 3.75Å
567Y93.9Very high93.8Very high102 Ų10253.8 Ų53.840%0.427%0.268SS..Hα-helixtrans-67.4-48.7178.9-72.8-62.1000112.2E563 E564 Y565 R570 E571 E597 Y601E563-Y567 HydrophobicContact CG-CD2 3.89Å; E563-Y567 HydrophobicContact CG-CE2 3.53Å; E563-Y567 WeakPolarHBondContact O-CD2 3.5Å; E563-Y567 PolarHBondContact O-N 2.66Å; E563-Y567 VanDerWaalsContact O-N 3.08Å; E564-Y567 PolarHBondContact O-N 3.49Å; Y565-Y567 PolarHBondContact O-N 3.16Å; Y567-R570 PolarHBondContact O-N 3.04Å; Y567-E571 PolarHBondContact O-N 3.07Å; Y567-E571 VanDerWaalsContact O-N 3.12Å; Y567-E597 PolarHBondContact OH-OE1 2.95Å; Y567-Y601 PolarHBondContact OH-OH 3.28Å
568E93.4Very high94Very high84 Ų8453.9 Ų53.939%0.39326%0.262SS..Hα-helixtrans-60.3-49.9-178.8-175.2-167.3164.700111.5E564 Y565 R570 E571 K572E564-E568 VanDerWaalsContact O-CB 3.28Å; E564-E568 WeakPolarHBondContact O-CB 3.42Å; E564-E568 PolarHBondContact O-N 3.38Å; Y565-E568 PolarHBondContact O-N 3.48Å; E568-R570 PolarHBondContact O-N 3.19Å; E568-E571 PolarHBondContact O-N 3.01Å; E568-K572 HydrophobicContact CG-CD 4.18Å; E568-K572 WeakPolarHBondContact O-CG 3.38Å; E568-K572 PolarHBondContact O-N 2.91Å; E568-K572 WeakPolarHBondContact OE1-CE 3.38Å; E568-K572 IonicContact OE1-NZ 3.88Å; E568-K572 PolarHBondContact OE1-NZ 3.29Å
569I94.2Very high94Very high6 Ų657.3 Ų57.33%0.03129%0.286CS..Hα-helixtrans-71.4-33.1-175.8-157.267000111.2Y565 K572 I573 L577 F589 L593 V629Y565-I569 HydrophobicContact CD1-CB 4.42Å; Y565-I569 HydrophobicContact CD1-CG2 4.02Å; Y565-I569 HydrophobicContact CE1-CB 4.09Å; Y565-I569 HydrophobicContact CE1-CG1 4.31Å; Y565-I569 HydrophobicContact CE1-CG2 3.8Å; Y565-I569 VanDerWaalsContact O-CB 3.27Å; Y565-I569 WeakPolarHBondContact O-CB 3.49Å; Y565-I569 WeakPolarHBondContact O-CG2 3.45Å; Y565-I569 PolarHBondContact O-N 2.99Å; I569-K572 PolarHBondContact O-N 3.42Å; I569-I573 WeakPolarHBondContact O-CB 3.48Å; I569-I573 WeakPolarHBondContact O-CG2 3.16Å; I569-I573 PolarHBondContact O-N 3.41Å; I569-L577 HydrophobicContact CD1-CD1 3.69Å; I569-F589 HydrophobicContact CG1-CE1 3.66Å; I569-F589 HydrophobicContact CG1-CZ 3.94Å; I569-F589 HydrophobicContact CG2-CE1 4.33Å; I569-F589 HydrophobicContact CG2-CZ 4.14Å; I569-L593 HydrophobicContact CG2-CD1 3.63Å; I569-L593 HydrophobicContact CG2-CD2 3.35Å; I569-L593 HydrophobicContact CG2-CG 4.13Å; I569-V629 HydrophobicContact CD1-CG2 3.73Å
570R94Very high94.1Very high42 Ų4257.7 Ų57.716%0.15829%0.287CS..Hα-helixtrans-64.8-39.9175.7-178.5-174.1-68152.8-6.5111.8V566 Y567 E568 N574 L590 L593 N594 E597V566-R570 WeakPolarHBondContact O-CB 3.47Å; V566-R570 PolarHBondContact O-N 3.4Å; V566-R570 VanDerWaalsContact O-N 3.12Å; Y567-R570 PolarHBondContact O-N 3.04Å; E568-R570 PolarHBondContact O-N 3.19Å; R570-N574 PolarHBondContact O-ND2 2.77Å; R570-L590 HydrophobicContact CG-CD2 4.15Å; R570-L593 HydrophobicContact CB-CD1 4.23Å; R570-N594 PolarHBondContact NE-OD1 2.86Å; R570-N594 PolarHBondContact NH2-OD1 2.91Å; R570-E597 IonicContact CZ-OE2 3.58Å; R570-E597 IonicContact NH1-OE1 2.68Å; R570-E597 IonicContact NH1-OE2 3.74Å; R570-E597 PolarHBondContact NH1-OE2 3.27Å; R570-E597 IonicContact NH2-OE2 2.94Å; R570-E597 PolarHBondContact NH2-OE2 3.48Å
571E93.7Very high94.2Very high149 Ų14954.5 Ų54.570%0.69627%0.27SS*.Hα-helixtrans-62.9-53173.8-174.4-178.5172.100109.9Y567 E568 I573 N574 D575Y567-E571 PolarHBondContact O-N 3.07Å; Y567-E571 VanDerWaalsContact O-N 3.12Å; E568-E571 PolarHBondContact O-N 3.01Å; E571-I573 PolarHBondContact O-N 3.41Å; E571-N574 PolarHBondContact O-N 2.92Å; E571-D575 PolarHBondContact O-N 3.27Å
572K94.6Very high94.2Very high70 Ų7055.1 Ų55.130%0.30427%0.27SS..Hα-helixtrans-64.4-38.6-176.5-71.6-179.4177178.50113.9E568 I569 N574 D575 S576 L577E568-K572 HydrophobicContact CG-CD 4.18Å; E568-K572 WeakPolarHBondContact O-CG 3.38Å; E568-K572 PolarHBondContact O-N 2.91Å; E568-K572 WeakPolarHBondContact OE1-CE 3.38Å; E568-K572 IonicContact OE1-NZ 3.88Å; E568-K572 PolarHBondContact OE1-NZ 3.29Å; I569-K572 PolarHBondContact O-N 3.42Å; K572-N574 PolarHBondContact O-N 2.9Å; K572-D575 CarbonylContact O-C 3.44Å; K572-D575 VanDerWaalsContact O-C 3.31Å; K572-D575 PolarHBondContact O-N 3.19Å; K572-D575 VanDerWaalsContact O-N 3.1Å; K572-S576 PolarHBondContact O-N 2.74Å; K572-L577 HydrophobicContact CB-CD1 3.66Å; K572-L577 HydrophobicContact CB-CG 3.91Å; K572-L577 WeakPolarHBondContact O-CB 3.32Å; K572-L577 PolarHBondContact O-N 3.21Å
573I93.5Very high94.1Very high0 Ų060.3 Ų60.30%030%0.298CS..Hα-helixtrans-67.9-23-179.3-152.468.1000113.1I569 E571 L577 I581 H586 F589 L590 V628I569-I573 WeakPolarHBondContact O-CB 3.48Å; I569-I573 WeakPolarHBondContact O-CG2 3.16Å; I569-I573 PolarHBondContact O-N 3.41Å; E571-I573 PolarHBondContact O-N 3.41Å; I573-L577 HydrophobicContact CD1-CB 3.91Å; I573-L577 HydrophobicContact CD1-CD1 4.31Å; I573-I581 HydrophobicContact CD1-CB 4.32Å; I573-I581 HydrophobicContact CD1-CD1 3.76Å; I573-I581 HydrophobicContact CD1-CG2 3.99Å; I573-I581 HydrophobicContact CG1-CD1 4.13Å; I573-I581 HydrophobicContact CG1-CG2 4.39Å; I573-H586 PolarHBondContact O-CD2 2.81Å; I573-H586 PolarHBondContact O-NE2 2.93Å; I573-F589 HydrophobicContact CD1-CD1 4.22Å; I573-F589 HydrophobicContact CG1-CD1 4.12Å; I573-L590 HydrophobicContact CG2-CD2 3.66Å; I573-L590 HydrophobicContact CG2-CG 4.35Å; I573-V628 HydrophobicContact CD1-CG1 3.84Å
574N92.7Very high94Very high85 Ų8564.8 Ų64.846%0.45532%0.32SS..THydrogen-bonded Turntrans-92.1-5.3174.8-70.2-44.9000113.4R570 E571 K572 H586R570-N574 PolarHBondContact O-ND2 2.77Å; E571-N574 PolarHBondContact O-N 2.92Å; K572-N574 PolarHBondContact O-N 2.9Å; N574-H586 PolarHBondContact OD1-NE2 3.08Å; N574-H586 VanDerWaalsContact OD1-NE2 3.08Å
575D94Very high94Very high122 Ų12259.6 Ų59.665%0.65230%0.297SS*.THydrogen-bonded Turntrans-131.7-109.1-179.3-178.838.9000110.2E571 K572 L577 R578E571-D575 PolarHBondContact O-N 3.27Å; K572-D575 CarbonylContact O-C 3.44Å; K572-D575 VanDerWaalsContact O-C 3.31Å; K572-D575 PolarHBondContact O-N 3.19Å; K572-D575 VanDerWaalsContact O-N 3.1Å; D575-L577 VanDerWaalsContact C-N 3.26Å; D575-L577 PolarHBondContact O-N 3.41Å; D575-R578 VanDerWaalsContact O-CB 3.23Å; D575-R578 WeakPolarHBondContact O-CB 3.48Å; D575-R578 PolarHBondContact O-N 3.36Å
576S93.6Very high94Very high42 Ų4259.9 Ų59.929%0.29430%0.299SS..THydrogen-bonded Turntrans-48.5-34.9-174.5560000116.8K572K572-S576 PolarHBondContact O-N 2.74Å
577L94.5Very high93.9Very high1 Ų162.6 Ų62.61%0.00532%0.322CS..THydrogen-bonded Turntrans-91.5-8.4-177.2-59.4177.8000113.5I569 K572 I573 D575 S579 F580 V628 V629 W632I569-L577 HydrophobicContact CD1-CD1 3.69Å; K572-L577 HydrophobicContact CB-CD1 3.66Å; K572-L577 HydrophobicContact CB-CG 3.91Å; K572-L577 WeakPolarHBondContact O-CB 3.32Å; K572-L577 PolarHBondContact O-N 3.21Å; I573-L577 HydrophobicContact CD1-CB 3.91Å; I573-L577 HydrophobicContact CD1-CD1 4.31Å; D575-L577 VanDerWaalsContact C-N 3.26Å; D575-L577 PolarHBondContact O-N 3.41Å; L577-S579 PolarHBondContact O-N 3.42Å; L577-S579 VanDerWaalsContact O-N 3.13Å; L577-F580 PolarHBondContact O-N 2.51Å; L577-V628 HydrophobicContact CB-CG1 3.86Å; L577-V628 HydrophobicContact CD1-CG1 4.35Å; L577-V628 HydrophobicContact CD2-CG1 4.43Å; L577-V628 HydrophobicContact CG-CG1 4.44Å; L577-V629 HydrophobicContact CD1-CG2 3.9Å; L577-W632 HydrophobicContact CD2-CB 3.33Å; L577-W632 HydrophobicContact CD2-CD2 3.74Å; L577-W632 HydrophobicContact CD2-CE3 4.1Å; L577-W632 HydrophobicContact CD2-CG 3.39Å
578R94.7Very high93.9Very high89 Ų8959.8 Ų59.834%0.33632%0.32SS..G310 helixtrans-57.5-34.4-172177.656.5-176.793.5-1113.7D575 F580 I581 D583D575-R578 VanDerWaalsContact O-CB 3.23Å; D575-R578 WeakPolarHBondContact O-CB 3.48Å; D575-R578 PolarHBondContact O-N 3.36Å; R578-F580 PolarHBondContact O-N 2.82Å; R578-I581 WeakPolarHBondContact O-CG2 3.27Å; R578-D583 IonicContact CZ-OD1 3.9Å; R578-D583 VanDerWaalsContact CZ-OD1 3.28Å; R578-D583 IonicContact NH1-OD1 2.8Å; R578-D583 PolarHBondContact NH1-OD1 3.26Å; R578-D583 VanDerWaalsContact NH1-OD1 3.08Å; R578-D583 IonicContact NH2-OD1 2.61Å; R578-D583 PolarHBondContact NH2-OD1 3.12Å
579S94.5Very high93.9Very high83 Ų8355.8 Ų55.858%0.5830%0.301SS*.G310 helixtrans-72.5-16.3179.5-61.50000113.2L577 P700L577-S579 PolarHBondContact O-N 3.42Å; L577-S579 VanDerWaalsContact O-N 3.13Å; S579-P700 WeakPolarHBondContact O-CB 3.5Å
580F94.9Very high93.9Very high28 Ų2857.2 Ų57.212%0.12331%0.308CS..G310 helixtrans-104.88.8-172.4-59.2-83.1000113.2L577 R578 V628 R631 W632 A635 P700L577-F580 PolarHBondContact O-N 2.51Å; R578-F580 PolarHBondContact O-N 2.82Å; F580-V628 HydrophobicContact CB-CG1 4.08Å; F580-R631 HydrophobicContact CB-CB 4.18Å; F580-R631 HydrophobicContact CD1-CB 4.09Å; F580-R631 VanDerWaalsContact O-CZ 3.31Å; F580-R631 PolarHBondContact O-NE 2.99Å; F580-R631 PolarHBondContact O-NH2 2.76Å; F580-W632 HydrophobicContact CD1-CB 4.44Å; F580-W632 HydrophobicContact CD2-CB 3.76Å; F580-W632 AromaticContact CD2-CD1 3.86Å; F580-W632 HydrophobicContact CD2-CG 4.23Å; F580-W632 HydrophobicContact CE2-CB 4.08Å; F580-W632 AromaticContact CE2-CD1 3.51Å; F580-W632 HydrophobicContact CE2-CG 4.2Å; F580-W632 HydrophobicContact CG-CB 3.97Å; F580-A635 HydrophobicContact CD1-CB 4.31Å; F580-A635 HydrophobicContact CE1-CB 3.26Å; F580-A635 HydrophobicContact CZ-CB 3.67Å; F580-P700 HydrophobicContact CD1-CB 3.93Å; F580-P700 WeakPolarHBondContact CD1-O 3.04Å; F580-P700 HydrophobicContact CE1-CB 4Å
581I94.4Very high93.9Very high3 Ų363 Ų632%0.01534%0.335CS..SBendtrans-131.7142.5179.5-171.5167.7000110.1I573 R578 D585 H586 F589 Y624 V628I573-I581 HydrophobicContact CD1-CB 4.32Å; I573-I581 HydrophobicContact CD1-CD1 3.76Å; I573-I581 HydrophobicContact CD1-CG2 3.99Å; I573-I581 HydrophobicContact CG1-CD1 4.13Å; I573-I581 HydrophobicContact CG1-CG2 4.39Å; R578-I581 WeakPolarHBondContact O-CG2 3.27Å; I581-D585 HydrophobicContact CD1-CB 4Å; I581-D585 HydrophobicContact CG1-CB 3.6Å; I581-H586 HydrophobicContact CD1-CB 4.1Å; I581-H586 HydrophobicContact CG1-CB 4.17Å; I581-H586 HydrophobicContact CG2-CB 4.03Å; I581-F589 HydrophobicContact CD1-CB 4.46Å; I581-Y624 HydrophobicContact CD1-CG 4.49Å; I581-V628 HydrophobicContact CB-CG1 4.21Å; I581-V628 HydrophobicContact CB-CG2 3.95Å; I581-V628 HydrophobicContact CD1-CG2 4.07Å; I581-V628 HydrophobicContact CG1-CG2 4.08Å
582T93.7Very high94Very high48 Ų4857.9 Ų57.929%0.29431%0.312SS..  trans-73.7157175.674.90000110.5M584 D585 H586 T701T582-M584 VanDerWaalsContact C-N 3.26Å; T582-M584 PolarHBondContact O-N 2.82Å; T582-D585 PolarHBondContact O-N 2.84Å; T582-D585 VanDerWaalsContact OG1-CB 3.27Å; T582-D585 WeakPolarHBondContact OG1-CB 3.4Å; T582-D585 PolarHBondContact OG1-N 3.19Å; T582-D585 PolarHBondContact OG1-OD2 3.41Å; T582-H586 VanDerWaalsContact O-CB 3.25Å; T582-H586 WeakPolarHBondContact O-CB 3.48Å; T582-H586 PolarHBondContact O-N 2.86Å; T582-T701 HydrophobicContact CG2-CG2 4.05Å
583D93.5Very high94Very high110 Ų11054.6 Ų54.659%0.58830%0.298SS*.Hα-helixtrans-61.4-36.5-179-63-12.9000112.6R578 A587R578-D583 IonicContact CZ-OD1 3.9Å; R578-D583 VanDerWaalsContact CZ-OD1 3.28Å; R578-D583 IonicContact NH1-OD1 2.8Å; R578-D583 PolarHBondContact NH1-OD1 3.26Å; R578-D583 VanDerWaalsContact NH1-OD1 3.08Å; R578-D583 IonicContact NH2-OD1 2.61Å; R578-D583 PolarHBondContact NH2-OD1 3.12Å; D583-A587 WeakPolarHBondContact O-CB 3.32Å; D583-A587 PolarHBondContact O-N 3.21Å; D583-A587 VanDerWaalsContact O-N 3.08Å
584M93.3Very high94.1Very high141 Ų14157.8 Ų57.870%0.69532%0.315SS*.Hα-helixtrans-64.8-47.6176.4-177.9-177.46900111.2T582 A587 A588T582-M584 VanDerWaalsContact C-N 3.26Å; T582-M584 PolarHBondContact O-N 2.82Å; M584-A587 PolarHBondContact O-N 2.95Å; M584-A588 WeakPolarHBondContact O-CB 3.12Å; M584-A588 PolarHBondContact O-N 3.24Å
585D92.6Very high94.2Very high24 Ų2456 Ų5613%0.12831%0.312CS..Hα-helixtrans-68-38.3-179.9-66.6-17.2000111.6I581 T582 A588 F589 Y624I581-D585 HydrophobicContact CD1-CB 4Å; I581-D585 HydrophobicContact CG1-CB 3.6Å; T582-D585 PolarHBondContact O-N 2.84Å; T582-D585 VanDerWaalsContact OG1-CB 3.27Å; T582-D585 WeakPolarHBondContact OG1-CB 3.4Å; T582-D585 PolarHBondContact OG1-N 3.19Å; T582-D585 PolarHBondContact OG1-OD2 3.41Å; D585-A588 PolarHBondContact O-N 3.46Å; D585-F589 VanDerWaalsContact O-CB 3.3Å; D585-F589 WeakPolarHBondContact O-CB 3.36Å; D585-F589 PolarHBondContact O-N 3.47Å; D585-Y624 HydrophobicContact CB-CD1 3.32Å; D585-Y624 HydrophobicContact CB-CE1 3.47Å; D585-Y624 VanDerWaalsContact CB-CE1 3.47Å; D585-Y624 HydrophobicContact CB-CG 3.9Å; D585-Y624 WeakPolarHBondContact OD1-CE1 3.19Å; D585-Y624 PolarHBondContact OD1-OH 2.79Å
586H94.6Very high94.2Very high27 Ų2750.5 Ų50.513%0.12528%0.283CS..Hα-helixtrans-59.6-50.4175.7174.5-91.2000111I573 N574 I581 T582 A588 F589 L590I573-H586 PolarHBondContact O-CD2 2.81Å; I573-H586 PolarHBondContact O-NE2 2.93Å; N574-H586 PolarHBondContact OD1-NE2 3.08Å; N574-H586 VanDerWaalsContact OD1-NE2 3.08Å; I581-H586 HydrophobicContact CD1-CB 4.1Å; I581-H586 HydrophobicContact CG1-CB 4.17Å; I581-H586 HydrophobicContact CG2-CB 4.03Å; T582-H586 VanDerWaalsContact O-CB 3.25Å; T582-H586 WeakPolarHBondContact O-CB 3.48Å; T582-H586 PolarHBondContact O-N 2.86Å; H586-A588 VanDerWaalsContact C-N 3.35Å; H586-A588 PolarHBondContact O-N 3.12Å; H586-F589 PolarHBondContact O-N 2.89Å; H586-L590 WeakPolarHBondContact CE1-CD1 3.5Å; H586-L590 PolarHBondContact O-N 3.49Å
587A94.2Very high94.3Very high59 Ų5950.8 Ų50.849%0.48828%0.279SS..Hα-helixtrans-62.1-42176.600000112.1D583 M584 K591D583-A587 WeakPolarHBondContact O-CB 3.32Å; D583-A587 PolarHBondContact O-N 3.21Å; D583-A587 VanDerWaalsContact O-N 3.08Å; M584-A587 PolarHBondContact O-N 2.95Å; A587-K591 WeakPolarHBondContact O-CB 3.19Å; A587-K591 PolarHBondContact O-N 2.8Å; A587-K591 VanDerWaalsContact O-N 3.14Å
588A92.9Very high94.3Very high43 Ų4356.6 Ų56.636%0.35531%0.307SS..Hα-helixtrans-64.6-41.2177.600000112.1M584 D585 H586 K591 L592 Y624M584-A588 WeakPolarHBondContact O-CB 3.12Å; M584-A588 PolarHBondContact O-N 3.24Å; D585-A588 PolarHBondContact O-N 3.46Å; H586-A588 VanDerWaalsContact C-N 3.35Å; H586-A588 PolarHBondContact O-N 3.12Å; A588-K591 PolarHBondContact O-N 3.38Å; A588-L592 PolarHBondContact O-N 3.08Å; A588-Y624 HydrophobicContact CB-CE2 4.08Å
589F94.5Very high94.4Very high0 Ų053.6 Ų53.60%030%0.295CS..Hα-helixtrans-72.4-43.9-178.2-167.1-150.5000111.9Y565 I569 I573 I581 D585 H586 K591 L592 L593 L619 Y624Y565-F589 HydrophobicContact CE1-CZ 4.36Å; I569-F589 HydrophobicContact CG1-CE1 3.66Å; I569-F589 HydrophobicContact CG1-CZ 3.94Å; I569-F589 HydrophobicContact CG2-CE1 4.33Å; I569-F589 HydrophobicContact CG2-CZ 4.14Å; I573-F589 HydrophobicContact CD1-CD1 4.22Å; I573-F589 HydrophobicContact CG1-CD1 4.12Å; I581-F589 HydrophobicContact CD1-CB 4.46Å; D585-F589 VanDerWaalsContact O-CB 3.3Å; D585-F589 WeakPolarHBondContact O-CB 3.36Å; D585-F589 PolarHBondContact O-N 3.47Å; H586-F589 PolarHBondContact O-N 2.89Å; F589-K591 VanDerWaalsContact C-N 3.26Å; F589-K591 PolarHBondContact O-N 3.09Å; F589-L592 HydrophobicContact CD2-CD2 4.4Å; F589-L592 WeakPolarHBondContact O-CB 3.1Å; F589-L592 PolarHBondContact O-N 3.41Å; F589-L593 HydrophobicContact CD1-CD1 4.25Å; F589-L593 HydrophobicContact CD2-CD1 4.41Å; F589-L593 HydrophobicContact CD2-CG 4.14Å; F589-L593 HydrophobicContact CE1-CD1 4.25Å; F589-L593 HydrophobicContact CE2-CD1 4.4Å; F589-L593 HydrophobicContact CE2-CD2 3.94Å; F589-L593 HydrophobicContact CE2-CG 4.07Å; F589-L593 HydrophobicContact CG-CD1 4.33Å; F589-L593 HydrophobicContact CZ-CD1 4.33Å; F589-L593 HydrophobicContact CZ-CD2 4.11Å; F589-L593 HydrophobicContact CZ-CG 4.39Å; F589-L593 VanDerWaalsContact O-CG 3.3Å; F589-L593 WeakPolarHBondContact O-CG 3.27Å; F589-L593 PolarHBondContact O-N 3.39Å; F589-L619 HydrophobicContact CE2-CD2 4.41Å; F589-Y624 HydrophobicContact CB-CD2 3.95Å; F589-Y624 HydrophobicContact CB-CG 4.3Å; F589-Y624 WeakPolarHBondContact CD1-O 3.29Å; F589-Y624 WeakPolarHBondContact CE1-O 3.47Å; F589-Y624 HydrophobicContact CG-CD2 4.45Å
590L94.1Very high94.2Very high35 Ų3549.8 Ų49.818%0.18327%0.268CS..Hα-helixtrans-57-41.8173-77.3-178.2000112.1R570 I573 H586 L592 L593 N594R570-L590 HydrophobicContact CG-CD2 4.15Å; I573-L590 HydrophobicContact CG2-CD2 3.66Å; I573-L590 HydrophobicContact CG2-CG 4.35Å; H586-L590 WeakPolarHBondContact CE1-CD1 3.5Å; H586-L590 PolarHBondContact O-N 3.49Å; L590-L592 VanDerWaalsContact C-N 3.33Å; L590-L592 PolarHBondContact O-N 2.9Å; L590-L593 HydrophobicContact CD2-CD1 4.41Å; L590-L593 PolarHBondContact O-N 3.05Å; L590-N594 PolarHBondContact O-N 3.4Å; L590-N594 PolarHBondContact O-OD1 3.18Å
591K94.6Very high93.9Very high163 Ų16353.8 Ų53.871%0.70928%0.283SS*.Hα-helixtrans-60.6-42.8175-174179.5179.8-179.30111.8A587 A588 F589 A595A587-K591 WeakPolarHBondContact O-CB 3.19Å; A587-K591 PolarHBondContact O-N 2.8Å; A587-K591 VanDerWaalsContact O-N 3.14Å; A588-K591 PolarHBondContact O-N 3.38Å; F589-K591 VanDerWaalsContact C-N 3.26Å; F589-K591 PolarHBondContact O-N 3.09Å; K591-A595 WeakPolarHBondContact O-CB 3.21Å; K591-A595 PolarHBondContact O-N 3.33Å
592L94.1Very high93.6Very high43 Ų4360.4 Ų60.423%0.22531%0.314CS..Hα-helixtrans-65.6-41177.2-178.762000112.2A588 F589 L590 A595 T596 L619 V622A588-L592 PolarHBondContact O-N 3.08Å; F589-L592 HydrophobicContact CD2-CD2 4.4Å; F589-L592 WeakPolarHBondContact O-CB 3.1Å; F589-L592 PolarHBondContact O-N 3.41Å; L590-L592 VanDerWaalsContact C-N 3.33Å; L590-L592 PolarHBondContact O-N 2.9Å; L592-A595 PolarHBondContact O-N 2.79Å; L592-T596 WeakPolarHBondContact O-CB 3.48Å; L592-T596 PolarHBondContact O-N 3.4Å; L592-T596 PolarHBondContact O-OG1 2.66Å; L592-L619 HydrophobicContact CD2-CD2 3.9Å; L592-L619 HydrophobicContact CG-CD2 3.83Å; L592-V622 HydrophobicContact CD2-CG2 4.16Å
593L95.1Very high93.2Very high0 Ų065.1 Ų65.10%033%0.333CS..Hα-helixtrans-63.4-45.7177.2-66.9169000111.3V566 I569 R570 F589 L590 T596 E597 L619V566-L593 HydrophobicContact CG1-CB 4.4Å; V566-L593 HydrophobicContact CG2-CD2 4.21Å; I569-L593 HydrophobicContact CG2-CD1 3.63Å; I569-L593 HydrophobicContact CG2-CD2 3.35Å; I569-L593 HydrophobicContact CG2-CG 4.13Å; R570-L593 HydrophobicContact CB-CD1 4.23Å; F589-L593 HydrophobicContact CD1-CD1 4.25Å; F589-L593 HydrophobicContact CD2-CD1 4.41Å; F589-L593 HydrophobicContact CD2-CG 4.14Å; F589-L593 HydrophobicContact CE1-CD1 4.25Å; F589-L593 HydrophobicContact CE2-CD1 4.4Å; F589-L593 HydrophobicContact CE2-CD2 3.94Å; F589-L593 HydrophobicContact CE2-CG 4.07Å; F589-L593 HydrophobicContact CG-CD1 4.33Å; F589-L593 HydrophobicContact CZ-CD1 4.33Å; F589-L593 HydrophobicContact CZ-CD2 4.11Å; F589-L593 HydrophobicContact CZ-CG 4.39Å; F589-L593 VanDerWaalsContact O-CG 3.3Å; F589-L593 WeakPolarHBondContact O-CG 3.27Å; F589-L593 PolarHBondContact O-N 3.39Å; L590-L593 HydrophobicContact CD2-CD1 4.41Å; L590-L593 PolarHBondContact O-N 3.05Å; L593-T596 PolarHBondContact O-N 3.17Å; L593-E597 PolarHBondContact O-N 3.08Å; L593-L619 HydrophobicContact CD2-CD2 4.1Å
594N95.2Very high92.9Very high68 Ų6859.9 Ų59.936%0.36431%0.305SS..Hα-helixtrans-63.1-45.7176.2-65.4-5.8000111.7R570 L590 T596 E597 E598R570-N594 PolarHBondContact NE-OD1 2.86Å; R570-N594 PolarHBondContact NH2-OD1 2.91Å; L590-N594 PolarHBondContact O-N 3.4Å; L590-N594 PolarHBondContact O-OD1 3.18Å; N594-T596 PolarHBondContact O-N 2.68Å; N594-E597 PolarHBondContact O-N 3.33Å; N594-E598 WeakPolarHBondContact O-CG 3.46Å; N594-E598 PolarHBondContact O-N 2.74Å
595A95Very high92.3Very high48 Ų4856.5 Ų56.540%0.39729%0.287SS..Hα-helixtrans-61.9-31.9175.500000112.4K591 L592 W599K591-A595 WeakPolarHBondContact O-CB 3.21Å; K591-A595 PolarHBondContact O-N 3.33Å; L592-A595 PolarHBondContact O-N 2.79Å; A595-W599 WeakPolarHBondContact O-CB 3.41Å; A595-W599 PolarHBondContact O-N 3.27Å
596T95.3Very high91.6Very high5 Ų557 Ų573%0.03129%0.29CS..Hα-helixtrans-75.4-37.4177.3-54.80000111.9V562 V566 L592 L593 N594 W599 L600 L619V562-T596 HydrophobicContact CG1-CG2 3.81Å; V566-T596 HydrophobicContact CG2-CG2 4.06Å; L592-T596 WeakPolarHBondContact O-CB 3.48Å; L592-T596 PolarHBondContact O-N 3.4Å; L592-T596 PolarHBondContact O-OG1 2.66Å; L593-T596 PolarHBondContact O-N 3.17Å; N594-T596 PolarHBondContact O-N 2.68Å; T596-W599 PolarHBondContact O-N 2.88Å; T596-L600 WeakPolarHBondContact O-CG 3.25Å; T596-L600 PolarHBondContact O-N 2.95Å; T596-L619 HydrophobicContact CG2-CD1 3.99Å
597E95Very high91.3Very high48 Ų4858.7 Ų58.722%0.22430%0.298CS..Hα-helixtrans-63-50.1171.8-175.7-176.7-169.500111.7V566 Y567 R570 L593 N594 W599 L600 Y601V566-E597 HydrophobicContact CG1-CB 4.21Å; Y567-E597 PolarHBondContact OH-OE1 2.95Å; R570-E597 IonicContact CZ-OE2 3.58Å; R570-E597 IonicContact NH1-OE1 2.68Å; R570-E597 IonicContact NH1-OE2 3.74Å; R570-E597 PolarHBondContact NH1-OE2 3.27Å; R570-E597 IonicContact NH2-OE2 2.94Å; R570-E597 PolarHBondContact NH2-OE2 3.48Å; L593-E597 PolarHBondContact O-N 3.08Å; N594-E597 PolarHBondContact O-N 3.33Å; E597-W599 VanDerWaalsContact C-N 3.28Å; E597-W599 PolarHBondContact O-N 2.81Å; E597-L600 WeakPolarHBondContact O-CB 3.32Å; E597-L600 PolarHBondContact O-N 3.33Å; E597-L600 VanDerWaalsContact O-N 3.09Å; E597-Y601 HydrophobicContact CG-CD2 3.96Å; E597-Y601 HydrophobicContact CG-CE2 3.65Å; E597-Y601 WeakPolarHBondContact O-CD2 3.19Å; E597-Y601 PolarHBondContact O-N 2.98Å
598E95Very high91Very high124 Ų12461.8 Ų61.858%0.57930%0.303SS*.Hα-helixtrans-55-47.6174.9-73.5171.5-172.100110.2N594 L600 Y601 E602N594-E598 WeakPolarHBondContact O-CG 3.46Å; N594-E598 PolarHBondContact O-N 2.74Å; E598-L600 PolarHBondContact O-N 2.83Å; E598-Y601 PolarHBondContact O-N 2.87Å; E598-E602 WeakPolarHBondContact O-CB 3.47Å; E598-E602 WeakPolarHBondContact O-CG 3.15Å; E598-E602 PolarHBondContact O-N 3.13Å
599W95.1Very high90.9Very high26 Ų2660.9 Ų60.910%0.09829%0.292CS..Hα-helixtrans-57.5-47.3174.8176.284.3000112.1A595 T596 E597 Y601 E602 E603 G604 Q607 T611 Y612 R615A595-W599 WeakPolarHBondContact O-CB 3.41Å; A595-W599 PolarHBondContact O-N 3.27Å; T596-W599 PolarHBondContact O-N 2.88Å; E597-W599 VanDerWaalsContact C-N 3.28Å; E597-W599 PolarHBondContact O-N 2.81Å; W599-Y601 PolarHBondContact O-N 2.81Å; W599-E602 CarbonylContact O-C 3.6Å; W599-E602 PolarHBondContact O-N 3.14Å; W599-E602 VanDerWaalsContact O-N 3.07Å; W599-E603 PolarHBondContact O-N 3.5Å; W599-G604 WeakPolarHBondContact O-CA 3.44Å; W599-G604 PolarHBondContact O-N 3.39Å; W599-Q607 HydrophobicContact CH2-CB 4.39Å; W599-Q607 HydrophobicContact CH2-CG 4.05Å; W599-Q607 HydrophobicContact CZ2-CB 4.38Å; W599-Q607 HydrophobicContact CZ2-CG 3.63Å; W599-T611 HydrophobicContact CH2-CG2 4.19Å; W599-T611 HydrophobicContact CZ2-CG2 3.94Å; W599-Y612 AromaticContact CH2-CD1 3.84Å; W599-Y612 HydrophobicContact CH2-CD1 3.84Å; W599-Y612 AromaticContact CH2-CE1 3.89Å; W599-Y612 HydrophobicContact CH2-CE1 3.89Å; W599-Y612 AromaticContact CZ3-CD1 3.98Å; W599-Y612 HydrophobicContact CZ3-CD1 3.98Å; W599-Y612 HydrophobicContact CZ3-CE1 4.05Å; W599-R615 HydrophobicContact CH2-CG 3.8Å; W599-R615 HydrophobicContact CZ2-CG 4.2Å; W599-R615 HydrophobicContact CZ3-CG 4.04Å
600L92.2Very high90.8Very high3 Ų365.6 Ų65.62%0.01632%0.315CS..Hα-helixtrans-56.8-33.5-178.6-83.1171000113.9K559 V562 E563 T596 E597 E598 E605 Y612K559-L600 HydrophobicContact CG-CD2 3.98Å; V562-L600 HydrophobicContact CB-CD1 4.38Å; V562-L600 HydrophobicContact CB-CD2 4.24Å; V562-L600 HydrophobicContact CG1-CD1 3.94Å; V562-L600 HydrophobicContact CG1-CD2 4.16Å; V562-L600 HydrophobicContact CG1-CG 4.29Å; E563-L600 HydrophobicContact CB-CD1 3.99Å; T596-L600 WeakPolarHBondContact O-CG 3.25Å; T596-L600 PolarHBondContact O-N 2.95Å; E597-L600 WeakPolarHBondContact O-CB 3.32Å; E597-L600 PolarHBondContact O-N 3.33Å; E597-L600 VanDerWaalsContact O-N 3.09Å; E598-L600 PolarHBondContact O-N 2.83Å; L600-E605 VanDerWaalsContact O-CA 3.32Å; L600-E605 WeakPolarHBondContact O-CA 3.45Å; L600-E605 PolarHBondContact O-N 3.36Å; L600-Y612 HydrophobicContact CD2-CD1 4.43Å; L600-Y612 HydrophobicContact CD2-CE1 4.27Å
601Y87.9Confident90.8Very high111 Ų11165.7 Ų65.744%0.43532%0.317SS..Hα-helixtrans-97.5-2.2-179.5-60.1-61.6000113.9E563 Y567 E597 E598 W599E563-Y601 PolarHBondContact OE1-OH 3.17Å; Y567-Y601 PolarHBondContact OH-OH 3.28Å; E597-Y601 HydrophobicContact CG-CD2 3.96Å; E597-Y601 HydrophobicContact CG-CE2 3.65Å; E597-Y601 WeakPolarHBondContact O-CD2 3.19Å; E597-Y601 PolarHBondContact O-N 2.98Å; E598-Y601 PolarHBondContact O-N 2.87Å; W599-Y601 PolarHBondContact O-N 2.81Å
602E88.2Confident90.8Very high142 Ų14258 Ų5866%0.66428%0.283SS*.THydrogen-bonded Turntrans-120.3-109.7174.9-62.7-172.8175.900110.9E598 W599 G604 E605E598-E602 WeakPolarHBondContact O-CB 3.47Å; E598-E602 WeakPolarHBondContact O-CG 3.15Å; E598-E602 PolarHBondContact O-N 3.13Å; W599-E602 CarbonylContact O-C 3.6Å; W599-E602 PolarHBondContact O-N 3.14Å; W599-E602 VanDerWaalsContact O-N 3.07Å; E602-G604 PolarHBondContact O-N 3.34Å; E602-G604 VanDerWaalsContact O-N 3.15Å; E602-E605 PolarHBondContact O-N 3.19Å; E602-E605 VanDerWaalsContact O-N 3.12Å
603E86Confident90.8Very high147 Ų14761.5 Ų61.569%0.68729%0.294SS*.G310 helixtrans-59.7-28.6-176-60.2-176.9165.100113.6W599 Q607W599-E603 PolarHBondContact O-N 3.5Å; E603-Q607 PolarHBondContact O-NE2 3.4Å
604G85.6Confident90.8Very high0 Ų067.2 Ų67.20%032%0.32CS..G310 helixtrans-82.4-7.6-179.200000114.6W599 E602 N606 Y612W599-G604 WeakPolarHBondContact O-CA 3.44Å; W599-G604 PolarHBondContact O-N 3.39Å; E602-G604 PolarHBondContact O-N 3.34Å; E602-G604 VanDerWaalsContact O-N 3.15Å; G604-N606 PolarHBondContact O-N 3.44Å; G604-Y612 VanDerWaalsContact O-CE1 3.27Å; G604-Y612 WeakPolarHBondContact O-CE1 3.27Å; G604-Y612 PolarHBondContact O-OH 2.92Å
605E80.7Confident90.8Very high70 Ų7067.9 Ų67.933%0.32732%0.318SS..G310 helixtrans-59.2-28.9-175.9-164.5-162.3-175.600111.8L45 K55 K559 L600 E602 Y612L45-E605 VanDerWaalsContact CD1-O 3.22Å; L45-E605 WeakPolarHBondContact CD1-O 3.47Å; K55-E605 IonicContact NZ-OE1 3.34Å; K559-E605 PolarHBondContact NZ-O 3.28Å; L600-E605 VanDerWaalsContact O-CA 3.32Å; L600-E605 WeakPolarHBondContact O-CA 3.45Å; L600-E605 PolarHBondContact O-N 3.36Å; E602-E605 PolarHBondContact O-N 3.19Å; E602-E605 VanDerWaalsContact O-N 3.12Å; E605-Y612 PolarHBondContact O-OH 3.45Å
606N78.9Confident90.7Very high36 Ų3666.9 Ų66.919%0.19331%0.305CS..G310 helixtrans-132.245.9-162.3-74.2-54.6000112.1S43 N44 G604S43-N606 PolarHBondContact OG-ND2 2.83Å; S43-N606 PolarHBondContact OG-OD1 3.38Å; S43-N606 VanDerWaalsContact OG-OD1 3.05Å; N44-N606 HydrophobicContact CB-CB 3.68Å; N44-N606 PolarHBondContact N-OD1 3.13Å; N44-N606 WeakPolarHBondContact ND2-CB 3.46Å; N44-N606 PolarHBondContact ND2-O 3.41Å; G604-N606 PolarHBondContact O-N 3.44Å
607Q87.3Confident90.6Very high62 Ų6268.9 Ų68.929%0.2932%0.323SS..  trans-97.8169.1-179.5-62.9-69-25.400113.2W599 E603 T611 Y612W599-Q607 HydrophobicContact CH2-CB 4.39Å; W599-Q607 HydrophobicContact CH2-CG 4.05Å; W599-Q607 HydrophobicContact CZ2-CB 4.38Å; W599-Q607 HydrophobicContact CZ2-CG 3.63Å; E603-Q607 PolarHBondContact O-NE2 3.4Å; Q607-T611 HydrophobicContact CB-CG2 3.93Å; Q607-T611 HydrophobicContact CG-CG2 4.18Å; Q607-Y612 HydrophobicContact CB-CE1 4.09Å; Q607-Y612 HydrophobicContact CB-CE2 4.16Å; Q607-Y612 PolarHBondContact N-OH 3.45Å; Q607-Y612 VanDerWaalsContact O-CE2 3.29Å; Q607-Y612 WeakPolarHBondContact O-CE2 3.11Å
608Q88.4Confident90.5Very high124 Ų12470.7 Ų70.758%0.57933%0.331SS*.  trans-74.3155.7174.4-63-62-25.100110.7E610 T611 Y612Q608-E610 PolarHBondContact O-N 3.24Å; Q608-T611 WeakPolarHBondContact O-CB 3.5Å; Q608-T611 PolarHBondContact O-N 2.86Å; Q608-Y612 WeakPolarHBondContact O-CD2 3.26Å; Q608-Y612 PolarHBondContact O-N 3.35Å
609T91Very high90.4Very high23 Ų2364.8 Ų64.814%0.14130%0.303CS..Hα-helixtrans-51.2-43.2179.2-51.60000112.5K555 A558 T611 Y612 R613K555-T609 WeakPolarHBondContact CA-OG1 3.33Å; K555-T609 WeakPolarHBondContact CB-OG1 3.44Å; A558-T609 HydrophobicContact CB-CG2 3.86Å; T609-T611 VanDerWaalsContact C-N 3.34Å; T609-T611 PolarHBondContact O-N 3.2Å; T609-Y612 PolarHBondContact O-N 2.94Å; T609-R613 WeakPolarHBondContact O-CG 2.89Å; T609-R613 PolarHBondContact O-N 3.13Å; T609-R613 VanDerWaalsContact O-N 3.14Å
610E93.2Very high90.2Very high100 Ų10067 Ų6747%0.46731%0.313SS..Hα-helixtrans-66.2-35.8-178.5-160.457.8-150.800112.3Q608 Y612 R613 E614Q608-E610 PolarHBondContact O-N 3.24Å; E610-Y612 VanDerWaalsContact C-N 3.32Å; E610-Y612 PolarHBondContact O-N 3.45Å; E610-R613 WeakPolarHBondContact O-CB 3.37Å; E610-R613 PolarHBondContact O-N 2.85Å; E610-R613 VanDerWaalsContact O-N 3.13Å; E610-R613 IonicContact OE2-NH1 3.52Å; E610-E614 HydrophobicContact CG-CG 4.45Å; E610-E614 WeakPolarHBondContact O-CB 3.27Å; E610-E614 WeakPolarHBondContact O-CG 3.5Å; E610-E614 PolarHBondContact O-N 3.23Å
611T93.1Very high89.8Confident37 Ų3772.1 Ų72.123%0.22735%0.345CS..Hα-helixtrans-61-40.6175.9-50.20000111.6W599 Q607 Q608 T609 R615W599-T611 HydrophobicContact CH2-CG2 4.19Å; W599-T611 HydrophobicContact CZ2-CG2 3.94Å; Q607-T611 HydrophobicContact CB-CG2 3.93Å; Q607-T611 HydrophobicContact CG-CG2 4.18Å; Q608-T611 WeakPolarHBondContact O-CB 3.5Å; Q608-T611 PolarHBondContact O-N 2.86Å; T609-T611 VanDerWaalsContact C-N 3.34Å; T609-T611 PolarHBondContact O-N 3.2Å; T611-R615 WeakPolarHBondContact O-CB 3.17Å; T611-R615 VanDerWaalsContact O-CG 3.23Å; T611-R615 WeakPolarHBondContact O-CG 3.4Å; T611-R615 PolarHBondContact O-N 3.37Å
612Y94.7Very high89.2Confident0 Ų068.6 Ų68.60%034%0.335CS..Hα-helixtrans-67.5-39.9175-61.6-62.1000112K555 A558 K559 V562 W599 L600 G604 E605 Q607 Q608 T609 E610 R615 L616K555-Y612 HydrophobicContact CG-CE2 4.45Å; A558-Y612 HydrophobicContact CB-CD2 4.34Å; K559-Y612 HydrophobicContact CB-CD1 4.08Å; K559-Y612 HydrophobicContact CB-CD2 4.17Å; K559-Y612 HydrophobicContact CB-CE1 3.9Å; K559-Y612 HydrophobicContact CB-CE2 3.98Å; K559-Y612 HydrophobicContact CB-CG 4.21Å; K559-Y612 HydrophobicContact CD-CE1 4.18Å; K559-Y612 HydrophobicContact CG-CD1 4.29Å; K559-Y612 HydrophobicContact CG-CE1 3.83Å; V562-Y612 HydrophobicContact CG2-CD1 4.49Å; V562-Y612 VanDerWaalsContact CG2-O 3.25Å; V562-Y612 WeakPolarHBondContact CG2-O 3.34Å; W599-Y612 AromaticContact CH2-CD1 3.84Å; W599-Y612 HydrophobicContact CH2-CD1 3.84Å; W599-Y612 AromaticContact CH2-CE1 3.89Å; W599-Y612 HydrophobicContact CH2-CE1 3.89Å; W599-Y612 AromaticContact CZ3-CD1 3.98Å; W599-Y612 HydrophobicContact CZ3-CD1 3.98Å; W599-Y612 HydrophobicContact CZ3-CE1 4.05Å; L600-Y612 HydrophobicContact CD2-CD1 4.43Å; L600-Y612 HydrophobicContact CD2-CE1 4.27Å; G604-Y612 VanDerWaalsContact O-CE1 3.27Å; G604-Y612 WeakPolarHBondContact O-CE1 3.27Å; G604-Y612 PolarHBondContact O-OH 2.92Å; E605-Y612 PolarHBondContact O-OH 3.45Å; Q607-Y612 HydrophobicContact CB-CE1 4.09Å; Q607-Y612 HydrophobicContact CB-CE2 4.16Å; Q607-Y612 PolarHBondContact N-OH 3.45Å; Q607-Y612 VanDerWaalsContact O-CE2 3.29Å; Q607-Y612 WeakPolarHBondContact O-CE2 3.11Å; Q608-Y612 WeakPolarHBondContact O-CD2 3.26Å; Q608-Y612 PolarHBondContact O-N 3.35Å; T609-Y612 PolarHBondContact O-N 2.94Å; E610-Y612 VanDerWaalsContact C-N 3.32Å; E610-Y612 PolarHBondContact O-N 3.45Å; Y612-R615 PolarHBondContact O-N 3.1Å; Y612-L616 WeakPolarHBondContact O-CB 3.28Å; Y612-L616 PolarHBondContact O-N 2.87Å
613R95Very high88.4Confident118 Ų11867.4 Ų67.445%0.44533%0.333SS..Hα-helixtrans-63.7-44.2176.6-70.3177178.5164.90.5111.9A558 T609 E610 L616 A617A558-R613 HydrophobicContact CB-CG 4.47Å; T609-R613 WeakPolarHBondContact O-CG 2.89Å; T609-R613 PolarHBondContact O-N 3.13Å; T609-R613 VanDerWaalsContact O-N 3.14Å; E610-R613 WeakPolarHBondContact O-CB 3.37Å; E610-R613 PolarHBondContact O-N 2.85Å; E610-R613 VanDerWaalsContact O-N 3.13Å; E610-R613 IonicContact OE2-NH1 3.52Å; R613-L616 PolarHBondContact O-N 3.23Å; R613-A617 VanDerWaalsContact O-CB 3.27Å; R613-A617 WeakPolarHBondContact O-CB 2.96Å; R613-A617 PolarHBondContact O-N 3.32Å
614E95Very high88Confident120 Ų12062.7 Ų62.756%0.56131%0.309SS*.Hα-helixtrans-61.3-43.1174.8-74174.9173.400111.3E610 A617 Q618E610-E614 HydrophobicContact CG-CG 4.45Å; E610-E614 WeakPolarHBondContact O-CB 3.27Å; E610-E614 WeakPolarHBondContact O-CG 3.5Å; E610-E614 PolarHBondContact O-N 3.23Å; E614-A617 PolarHBondContact O-N 3.49Å; E614-Q618 WeakPolarHBondContact O-CB 3.44Å; E614-Q618 PolarHBondContact O-N 2.92Å
615R93.3Very high88.1Confident82 Ų8262.7 Ų62.731%0.30931%0.309SS..Hα-helixtrans-62.5-46.5175-74.7-66.3-169-171.85.5112.2W599 T611 Y612 A617 Q618 L619W599-R615 HydrophobicContact CH2-CG 3.8Å; W599-R615 HydrophobicContact CZ2-CG 4.2Å; W599-R615 HydrophobicContact CZ3-CG 4.04Å; T611-R615 WeakPolarHBondContact O-CB 3.17Å; T611-R615 VanDerWaalsContact O-CG 3.23Å; T611-R615 WeakPolarHBondContact O-CG 3.4Å; T611-R615 PolarHBondContact O-N 3.37Å; Y612-R615 PolarHBondContact O-N 3.1Å; R615-A617 VanDerWaalsContact C-N 3.35Å; R615-A617 PolarHBondContact O-N 3.42Å; R615-Q618 VanDerWaalsContact NH1-OE1 3.16Å; R615-Q618 WeakPolarHBondContact O-CB 3.37Å; R615-Q618 PolarHBondContact O-N 3.12Å; R615-L619 WeakPolarHBondContact O-CG 3.36Å; R615-L619 PolarHBondContact O-N 3.39Å
616L94.9Very high88.6Confident27 Ų2763 Ų6314%0.14131%0.313CS..Hα-helixtrans-62.1-43.9176.2-176.458000111.4A561 V562 Y565 Y612 R613 Q618 L619 K620A561-L616 HydrophobicContact CB-CD2 3.91Å; V562-L616 HydrophobicContact CG2-CB 3.99Å; Y565-L616 HydrophobicContact CD1-CD1 4.19Å; Y565-L616 HydrophobicContact CD2-CD1 4.1Å; Y565-L616 HydrophobicContact CG-CD1 3.69Å; Y612-L616 WeakPolarHBondContact O-CB 3.28Å; Y612-L616 PolarHBondContact O-N 2.87Å; R613-L616 PolarHBondContact O-N 3.23Å; L616-Q618 VanDerWaalsContact C-N 3.32Å; L616-Q618 PolarHBondContact O-N 2.8Å; L616-L619 PolarHBondContact O-N 3.44Å; L616-K620 HydrophobicContact CD1-CD 4.38Å; L616-K620 HydrophobicContact CD1-CG 4.45Å; L616-K620 HydrophobicContact CG-CD 4.26Å; L616-K620 WeakPolarHBondContact O-CB 3.43Å; L616-K620 WeakPolarHBondContact O-CG 3.39Å; L616-K620 PolarHBondContact O-N 3.01Å
617A93Very high89.2Confident47 Ų4763.1 Ų63.139%0.38832%0.316SS..Hα-helixtrans-61.9-40.9176.200000111.4R613 E614 R615 K620 V621R613-A617 VanDerWaalsContact O-CB 3.27Å; R613-A617 WeakPolarHBondContact O-CB 2.96Å; R613-A617 PolarHBondContact O-N 3.32Å; E614-A617 PolarHBondContact O-N 3.49Å; R615-A617 VanDerWaalsContact C-N 3.35Å; R615-A617 PolarHBondContact O-N 3.42Å; A617-K620 PolarHBondContact O-N 3.4Å; A617-V621 VanDerWaalsContact O-CB 3.27Å; A617-V621 WeakPolarHBondContact O-CB 3.4Å; A617-V621 VanDerWaalsContact O-CG2 3.26Å; A617-V621 WeakPolarHBondContact O-CG2 3.14Å; A617-V621 PolarHBondContact O-N 3.28Å
618Q91.5Very high89.5Confident85 Ų8560.2 Ų60.240%0.39730%0.303SS..Hα-helixtrans-59-49.8173.5-176.3-179.525.100110.7E614 R615 L616 K620 V621 V622E614-Q618 WeakPolarHBondContact O-CB 3.44Å; E614-Q618 PolarHBondContact O-N 2.92Å; R615-Q618 VanDerWaalsContact NH1-OE1 3.16Å; R615-Q618 WeakPolarHBondContact O-CB 3.37Å; R615-Q618 PolarHBondContact O-N 3.12Å; L616-Q618 VanDerWaalsContact C-N 3.32Å; L616-Q618 PolarHBondContact O-N 2.8Å; Q618-K620 VanDerWaalsContact C-N 3.28Å; Q618-K620 PolarHBondContact O-N 3.19Å; Q618-V621 PolarHBondContact O-N 3.19Å; Q618-V622 HydrophobicContact CG-CG2 4.14Å; Q618-V622 WeakPolarHBondContact O-CB 3.45Å; Q618-V622 WeakPolarHBondContact O-CG2 3.3Å; Q618-V622 PolarHBondContact O-N 3.11Å
619L92.9Very high89.8Confident1 Ų156.4 Ų56.41%0.00529%0.288CS..Hα-helixtrans-59.6-38.3178.9-70.4178.2000112.7V562 Y565 V566 F589 L592 L593 T596 R615 L616V562-L619 HydrophobicContact CG1-CD1 4.19Å; Y565-L619 HydrophobicContact CD1-CB 3.97Å; Y565-L619 HydrophobicContact CD1-CD1 3.91Å; Y565-L619 HydrophobicContact CE1-CB 3.65Å; Y565-L619 HydrophobicContact CE1-CD1 4.36Å; V566-L619 HydrophobicContact CG2-CD1 3.75Å; F589-L619 HydrophobicContact CE2-CD2 4.41Å; L592-L619 HydrophobicContact CD2-CD2 3.9Å; L592-L619 HydrophobicContact CG-CD2 3.83Å; L593-L619 HydrophobicContact CD2-CD2 4.1Å; T596-L619 HydrophobicContact CG2-CD1 3.99Å; R615-L619 WeakPolarHBondContact O-CG 3.36Å; R615-L619 PolarHBondContact O-N 3.39Å; L616-L619 PolarHBondContact O-N 3.44Å
620K92.2Very high89.9Confident71 Ų7158.7 Ų58.731%0.30930%0.297SS..Hα-helixtrans-75.2-44.1179.6-74.9-176.7177.3-177.20113.8Y565 L616 A617 Q618 D626Y565-K620 HydrophobicContact CD2-CG 4.3Å; Y565-K620 HydrophobicContact CE2-CD 4.35Å; Y565-K620 HydrophobicContact CE2-CG 3.64Å; L616-K620 HydrophobicContact CD1-CD 4.38Å; L616-K620 HydrophobicContact CD1-CG 4.45Å; L616-K620 HydrophobicContact CG-CD 4.26Å; L616-K620 WeakPolarHBondContact O-CB 3.43Å; L616-K620 WeakPolarHBondContact O-CG 3.39Å; L616-K620 PolarHBondContact O-N 3.01Å; A617-K620 PolarHBondContact O-N 3.4Å; Q618-K620 VanDerWaalsContact C-N 3.28Å; Q618-K620 PolarHBondContact O-N 3.19Å; K620-D626 VanDerWaalsContact O-CB 3.32Å; K620-D626 WeakPolarHBondContact O-CB 3.39Å; K620-D626 PolarHBondContact O-N 3.21Å
621V84Confident90Very high111 Ų11155.1 Ų55.167%0.67328%0.279SS*.Hα-helixtrans-84.7-22.8-172.6176.30000112.7A617 Q618 N623A617-V621 VanDerWaalsContact O-CB 3.27Å; A617-V621 WeakPolarHBondContact O-CB 3.4Å; A617-V621 VanDerWaalsContact O-CG2 3.26Å; A617-V621 WeakPolarHBondContact O-CG2 3.14Å; A617-V621 PolarHBondContact O-N 3.28Å; Q618-V621 PolarHBondContact O-N 3.19Å; V621-N623 PolarHBondContact O-N 3.31Å
622V73.8Confident90.1Very high38 Ų3857.3 Ų57.323%0.2328%0.283CS..SBendtrans-50.5141.5169.9166.20000108.8L592 Q618 Y624 G625L592-V622 HydrophobicContact CD2-CG2 4.16Å; Q618-V622 HydrophobicContact CG-CG2 4.14Å; Q618-V622 WeakPolarHBondContact O-CB 3.45Å; Q618-V622 WeakPolarHBondContact O-CG2 3.3Å; Q618-V622 PolarHBondContact O-N 3.11Å; V622-Y624 HydrophobicContact CG1-CD2 3.42Å; V622-Y624 VanDerWaalsContact CG1-CD2 3.42Å; V622-Y624 HydrophobicContact CG1-CE2 3.73Å; V622-Y624 HydrophobicContact CG1-CG 4.09Å; V622-Y624 PolarHBondContact O-N 3.06Å; V622-G625 PolarHBondContact O-N 3.45Å
623N72.1Confident90.2Very high116 Ų11662.1 Ų62.162%0.6230%0.301SS*.THydrogen-bonded Turntrans-49.7-7.7-173.7-73.4-17.3000116.2V621V621-N623 PolarHBondContact O-N 3.31Å
624Y78.3Confident90.2Very high48 Ų4857 Ų5719%0.18828%0.282CS..THydrogen-bonded Turntrans-120.1-5.2-171.8-30.2-48.8000113.7I581 D585 A588 F589 V622 V628I581-Y624 HydrophobicContact CD1-CG 4.49Å; D585-Y624 HydrophobicContact CB-CD1 3.32Å; D585-Y624 HydrophobicContact CB-CE1 3.47Å; D585-Y624 VanDerWaalsContact CB-CE1 3.47Å; D585-Y624 HydrophobicContact CB-CG 3.9Å; D585-Y624 WeakPolarHBondContact OD1-CE1 3.19Å; D585-Y624 PolarHBondContact OD1-OH 2.79Å; A588-Y624 HydrophobicContact CB-CE2 4.08Å; F589-Y624 HydrophobicContact CB-CD2 3.95Å; F589-Y624 HydrophobicContact CB-CG 4.3Å; F589-Y624 WeakPolarHBondContact CD1-O 3.29Å; F589-Y624 WeakPolarHBondContact CE1-O 3.47Å; F589-Y624 HydrophobicContact CG-CD2 4.45Å; V622-Y624 HydrophobicContact CG1-CD2 3.42Å; V622-Y624 VanDerWaalsContact CG1-CD2 3.42Å; V622-Y624 HydrophobicContact CG1-CE2 3.73Å; V622-Y624 HydrophobicContact CG1-CG 4.09Å; V622-Y624 PolarHBondContact O-N 3.06Å; Y624-V628 WeakPolarHBondContact O-CB 3.36Å; Y624-V628 WeakPolarHBondContact O-CG2 3.48Å
625G86.8Confident90.2Very high0 Ų052.8 Ų52.80%027%0.268CS..SBendtrans-85.8-106.4175.800000111.5V622 P627 V628 V629V622-G625 PolarHBondContact O-N 3.45Å; G625-P627 VanDerWaalsContact C-N 3.31Å; G625-V628 PolarHBondContact O-N 3.13Å; G625-V629 PolarHBondContact O-N 3.45Å
626D91.1Very high90.3Very high77 Ų7752.5 Ų52.541%0.41228%0.278SS..Hα-helixtrans-54.9-36.8179.2-70.2-2000113.5K620 V628 V629 E630K620-D626 VanDerWaalsContact O-CB 3.32Å; K620-D626 WeakPolarHBondContact O-CB 3.39Å; K620-D626 PolarHBondContact O-N 3.21Å; D626-V628 VanDerWaalsContact C-N 3.31Å; D626-V628 PolarHBondContact O-N 3.25Å; D626-V629 PolarHBondContact O-N 3.5Å; D626-E630 VanDerWaalsContact O-CB 3.29Å; D626-E630 WeakPolarHBondContact O-CB 3.34Å; D626-E630 PolarHBondContact O-N 2.98Å
627P92.4Very high90.4Very high39 Ų3955.9 Ų55.925%0.25329%0.293SS..Hα-helixtrans-62.1-34176.3-26.336.6000114G625 R631G625-P627 VanDerWaalsContact C-N 3.31Å; P627-R631 VanDerWaalsContact O-CG 3.31Å; P627-R631 WeakPolarHBondContact O-CG 3.35Å; P627-R631 PolarHBondContact O-N 2.77Å
628V93.7Very high90.5Very high1 Ų154.8 Ų54.81%0.00628%0.278CS..Hα-helixtrans-73.2-43.5177.11730000110.3I573 L577 F580 I581 Y624 G625 D626 E630 R631 W632I573-V628 HydrophobicContact CD1-CG1 3.84Å; L577-V628 HydrophobicContact CB-CG1 3.86Å; L577-V628 HydrophobicContact CD1-CG1 4.35Å; L577-V628 HydrophobicContact CD2-CG1 4.43Å; L577-V628 HydrophobicContact CG-CG1 4.44Å; F580-V628 HydrophobicContact CB-CG1 4.08Å; I581-V628 HydrophobicContact CB-CG1 4.21Å; I581-V628 HydrophobicContact CB-CG2 3.95Å; I581-V628 HydrophobicContact CD1-CG2 4.07Å; I581-V628 HydrophobicContact CG1-CG2 4.08Å; Y624-V628 WeakPolarHBondContact O-CB 3.36Å; Y624-V628 WeakPolarHBondContact O-CG2 3.48Å; G625-V628 PolarHBondContact O-N 3.13Å; D626-V628 VanDerWaalsContact C-N 3.31Å; D626-V628 PolarHBondContact O-N 3.25Å; V628-E630 VanDerWaalsContact C-N 3.28Å; V628-E630 PolarHBondContact O-N 3.08Å; V628-R631 PolarHBondContact O-N 2.72Å; V628-W632 PolarHBondContact O-N 3.07Å
629V93.4Very high90.7Very high44 Ų4454 Ų5427%0.26728%0.281SS..Hα-helixtrans-61.1-40.5175.8178.60000110.6I569 L577 G625 D626 W632 R633I569-V629 HydrophobicContact CD1-CG2 3.73Å; L577-V629 HydrophobicContact CD1-CG2 3.9Å; G625-V629 PolarHBondContact O-N 3.45Å; D626-V629 PolarHBondContact O-N 3.5Å; V629-W632 PolarHBondContact O-N 2.83Å; V629-R633 WeakPolarHBondContact O-CB 3.38Å; V629-R633 PolarHBondContact O-N 2.84Å
630E94.4Very high90.8Very high70 Ų7060.6 Ų60.633%0.32731%0.309SS..Hα-helixtrans-64.1-47.5175.4179.9171.2-94.200111.7D626 V628 W632 R633 E634 F707D626-E630 VanDerWaalsContact O-CB 3.29Å; D626-E630 WeakPolarHBondContact O-CB 3.34Å; D626-E630 PolarHBondContact O-N 2.98Å; V628-E630 VanDerWaalsContact C-N 3.28Å; V628-E630 PolarHBondContact O-N 3.08Å; E630-W632 VanDerWaalsContact C-N 3.3Å; E630-W632 PolarHBondContact O-N 2.68Å; E630-R633 PolarHBondContact O-N 3.28Å; E630-R633 IonicContact OE1-NH2 3.86Å; E630-E634 HydrophobicContact CG-CG 4.13Å; E630-E634 VanDerWaalsContact O-CB 3.23Å; E630-E634 WeakPolarHBondContact O-CB 3.21Å; E630-E634 VanDerWaalsContact O-CG 3.23Å; E630-E634 WeakPolarHBondContact O-CG 3.47Å; E630-E634 PolarHBondContact O-N 2.83Å; E630-F707 HydrophobicContact CG-CE1 4.34Å
631R94.9Very high91.1Very high25 Ų2557.7 Ų57.79%0.09430%0.299CS..Hα-helixtrans-57.1-44.2176-77.9-171.2-62.1-105.710.7112F580 P627 V628 A635 P700 T701 D702F580-R631 HydrophobicContact CB-CB 4.18Å; F580-R631 HydrophobicContact CD1-CB 4.09Å; F580-R631 VanDerWaalsContact O-CZ 3.31Å; F580-R631 PolarHBondContact O-NE 2.99Å; F580-R631 PolarHBondContact O-NH2 2.76Å; P627-R631 VanDerWaalsContact O-CG 3.31Å; P627-R631 WeakPolarHBondContact O-CG 3.35Å; P627-R631 PolarHBondContact O-N 2.77Å; V628-R631 PolarHBondContact O-N 2.72Å; R631-A635 VanDerWaalsContact O-CB 3.26Å; R631-A635 WeakPolarHBondContact O-CB 3.24Å; R631-A635 PolarHBondContact O-N 2.86Å; R631-P700 WeakPolarHBondContact CD-O 3.34Å; R631-T701 VanDerWaalsContact CD-O 3.3Å; R631-T701 WeakPolarHBondContact CD-O 3.44Å; R631-T701 VanDerWaalsContact CZ-O 3.24Å; R631-T701 PolarHBondContact NE-O 3.32Å; R631-T701 PolarHBondContact NH1-O 3Å; R631-D702 WeakPolarHBondContact CD-O 3.3Å
632W95.2Very high91.7Very high84 Ų8453.1 Ų53.132%0.31827%0.27SS..Hα-helixtrans-62.3-52.5175.8168.479.9000112L577 F580 V628 V629 E630 E634 A635 C636L577-W632 HydrophobicContact CD2-CB 3.33Å; L577-W632 HydrophobicContact CD2-CD2 3.74Å; L577-W632 HydrophobicContact CD2-CE3 4.1Å; L577-W632 HydrophobicContact CD2-CG 3.39Å; F580-W632 HydrophobicContact CD1-CB 4.44Å; F580-W632 HydrophobicContact CD2-CB 3.76Å; F580-W632 AromaticContact CD2-CD1 3.86Å; F580-W632 HydrophobicContact CD2-CG 4.23Å; F580-W632 HydrophobicContact CE2-CB 4.08Å; F580-W632 AromaticContact CE2-CD1 3.51Å; F580-W632 HydrophobicContact CE2-CG 4.2Å; F580-W632 HydrophobicContact CG-CB 3.97Å; V628-W632 PolarHBondContact O-N 3.07Å; V629-W632 PolarHBondContact O-N 2.83Å; E630-W632 VanDerWaalsContact C-N 3.3Å; E630-W632 PolarHBondContact O-N 2.68Å; W632-E634 VanDerWaalsContact C-N 3.34Å; W632-E634 PolarHBondContact O-N 2.66Å; W632-A635 PolarHBondContact O-N 3.35Å; W632-A635 VanDerWaalsContact O-N 3.13Å; W632-C636 PolarHBondContact O-N 2.94Å; W632-C636 PolarHBondContact O-SG 2.65Å
633R95.5Very high92.8Very high101 Ų10157 Ų5738%0.38129%0.286SS..Hα-helixtrans-56.2-49.9178.7-178.1-174.467-149.6-4.8111V629 E630 A635 C636 E637V629-R633 WeakPolarHBondContact O-CB 3.38Å; V629-R633 PolarHBondContact O-N 2.84Å; E630-R633 PolarHBondContact O-N 3.28Å; E630-R633 IonicContact OE1-NH2 3.86Å; R633-A635 VanDerWaalsContact C-N 3.32Å; R633-A635 PolarHBondContact O-N 2.85Å; R633-C636 PolarHBondContact O-N 2.93Å; R633-E637 HydrophobicContact CG-CG 4.5Å; R633-E637 WeakPolarHBondContact CG-OE1 3.35Å; R633-E637 WeakPolarHBondContact O-CB 3.38Å; R633-E637 WeakPolarHBondContact O-CG 3.46Å; R633-E637 PolarHBondContact O-N 3.08Å
634E96.6Very high94Very high10 Ų1053 Ų535%0.04726%0.264CS..Hα-helixtrans-60.7-40.8177.8-74.8-74.4149.600111.4E630 W632 C636 E637 R638 P704 F707 V708E630-E634 HydrophobicContact CG-CG 4.13Å; E630-E634 VanDerWaalsContact O-CB 3.23Å; E630-E634 WeakPolarHBondContact O-CB 3.21Å; E630-E634 VanDerWaalsContact O-CG 3.23Å; E630-E634 WeakPolarHBondContact O-CG 3.47Å; E630-E634 PolarHBondContact O-N 2.83Å; W632-E634 VanDerWaalsContact C-N 3.34Å; W632-E634 PolarHBondContact O-N 2.66Å; E634-C636 VanDerWaalsContact C-N 3.35Å; E634-C636 PolarHBondContact O-N 2.85Å; E634-E637 PolarHBondContact O-N 3.19Å; E634-R638 WeakPolarHBondContact O-CB 3.46Å; E634-R638 PolarHBondContact O-N 2.9Å; E634-P704 HydrophobicContact CB-CG 3.96Å; E634-P704 HydrophobicContact CG-CG 3.94Å; E634-F707 HydrophobicContact CG-CD1 4.22Å; E634-F707 WeakPolarHBondContact OE1-CD1 3.24Å; E634-F707 VanDerWaalsContact OE2-CA 3.3Å; E634-F707 WeakPolarHBondContact OE2-CA 3.43Å; E634-V708 WeakPolarHBondContact OE2-CG2 3.44Å; E634-V708 PolarHBondContact OE2-N 3.05Å
635A94.8Very high94.9Very high31 Ų3150.8 Ų50.826%0.25626%0.255SS..Hα-helixtrans-67.2-33.3176.500000113.6F580 R631 W632 R633 P639F580-A635 HydrophobicContact CD1-CB 4.31Å; F580-A635 HydrophobicContact CE1-CB 3.26Å; F580-A635 HydrophobicContact CZ-CB 3.67Å; R631-A635 VanDerWaalsContact O-CB 3.26Å; R631-A635 WeakPolarHBondContact O-CB 3.24Å; R631-A635 PolarHBondContact O-N 2.86Å; W632-A635 PolarHBondContact O-N 3.35Å; W632-A635 VanDerWaalsContact O-N 3.13Å; R633-A635 VanDerWaalsContact C-N 3.32Å; R633-A635 PolarHBondContact O-N 2.85Å; A635-P639 VanDerWaalsContact O-CD 3.23Å; A635-P639 WeakPolarHBondContact O-CD 3.25Å
636C94.4Very high95.3Very high77 Ų7752.3 Ų52.352%0.5227%0.268SS..Hα-helixtrans-73-38.4175.5-70.80000112.8W632 R633 E634W632-C636 PolarHBondContact O-N 2.94Å; W632-C636 PolarHBondContact O-SG 2.65Å; R633-C636 PolarHBondContact O-N 2.93Å; E634-C636 VanDerWaalsContact C-N 3.35Å; E634-C636 PolarHBondContact O-N 2.85Å
637E96.7Very high95.6Very high97 Ų9754.6 Ų54.645%0.45327%0.271SS..Hα-helixtrans-91.6-31.4-172.5-69.4179-170.600113.7R633 E634 K640 A641 V708R633-E637 HydrophobicContact CG-CG 4.5Å; R633-E637 WeakPolarHBondContact CG-OE1 3.35Å; R633-E637 WeakPolarHBondContact O-CB 3.38Å; R633-E637 WeakPolarHBondContact O-CG 3.46Å; R633-E637 PolarHBondContact O-N 3.08Å; E634-E637 PolarHBondContact O-N 3.19Å; E637-K640 PolarHBondContact O-N 3.47Å; E637-A641 PolarHBondContact O-N 3.19Å; E637-A641 VanDerWaalsContact O-N 3.17Å; E637-V708 HydrophobicContact CB-CG2 3.77Å
638R96.1Very high95.8Very high24 Ų2453.4 Ų53.49%0.09126%0.264CS..Hα-helixtrans-59.3-40.3-174.7-167.5-168.1-53.7115.61.6114.9E634 K640 A641 F642 Q695 V706 V708 I711E634-R638 WeakPolarHBondContact O-CB 3.46Å; E634-R638 PolarHBondContact O-N 2.9Å; R638-K640 VanDerWaalsContact C-N 3.34Å; R638-K640 PolarHBondContact O-N 2.88Å; R638-A641 PolarHBondContact O-N 3.18Å; R638-F642 HydrophobicContact CG-CD2 3.72Å; R638-F642 HydrophobicContact CG-CE2 3.66Å; R638-F642 PolarHBondContact O-N 2.81Å; R638-Q695 VanDerWaalsContact CZ-CD 3.49Å; R638-V706 PolarHBondContact NE-O 3.5Å; R638-V708 HydrophobicContact CB-CG2 4.09Å; R638-I711 HydrophobicContact CG-CD1 3.46Å; R638-I711 VanDerWaalsContact CG-CD1 3.46Å
639P94.9Very high96Very high68 Ų6853.8 Ų53.844%0.44227%0.265SS..Hα-helixtrans-57-47.1177.6-26.435.8000112.2A635 A641 F642 E643A635-P639 VanDerWaalsContact O-CD 3.23Å; A635-P639 WeakPolarHBondContact O-CD 3.25Å; P639-A641 VanDerWaalsContact C-N 3.34Å; P639-A641 PolarHBondContact O-N 3.32Å; P639-F642 PolarHBondContact O-N 3.22Å; P639-E643 WeakPolarHBondContact O-CG 3.34Å; P639-E643 PolarHBondContact O-N 2.81Å
640K96.3Very high96.1Very high140 Ų14057 Ų5761%0.60928%0.277SS*.Hα-helixtrans-62.7-41.1177.3-175.6179178.4-177.50111.9E637 R638 F642 E643 D644E637-K640 PolarHBondContact O-N 3.47Å; R638-K640 VanDerWaalsContact C-N 3.34Å; R638-K640 PolarHBondContact O-N 2.88Å; K640-F642 VanDerWaalsContact C-N 3.34Å; K640-F642 PolarHBondContact O-N 3.39Å; K640-E643 PolarHBondContact O-N 3.46Å; K640-D644 PolarHBondContact O-N 3.45Å
641A96.8Very high96.1Very high11 Ų1159.3 Ų59.39%0.09129%0.289CS..Hα-helixtrans-61.4-42.4176.800000112E637 R638 P639 D644 L645 V708 I711E637-A641 PolarHBondContact O-N 3.19Å; E637-A641 VanDerWaalsContact O-N 3.17Å; R638-A641 PolarHBondContact O-N 3.18Å; P639-A641 VanDerWaalsContact C-N 3.34Å; P639-A641 PolarHBondContact O-N 3.32Å; A641-D644 PolarHBondContact O-N 3.31Å; A641-L645 PolarHBondContact O-N 2.82Å; A641-V708 HydrophobicContact CB-CG1 4.11Å; A641-I711 HydrophobicContact CB-CB 4.08Å; A641-I711 HydrophobicContact CB-CD1 4.16Å; A641-I711 HydrophobicContact CB-CG2 3.82Å; A641-I711 VanDerWaalsContact O-CG2 3.31Å; A641-I711 WeakPolarHBondContact O-CG2 3.25Å
642F97.2Very high96.1Very high15 Ų1558.6 Ų58.67%0.06629%0.288CS..Hα-helixtrans-68.9-39.1176.1-87.2-54.8000113R638 P639 K640 D644 L645 A646 W687 Y688 N691 M692 V706 I711R638-F642 HydrophobicContact CG-CD2 3.72Å; R638-F642 HydrophobicContact CG-CE2 3.66Å; R638-F642 PolarHBondContact O-N 2.81Å; P639-F642 PolarHBondContact O-N 3.22Å; K640-F642 VanDerWaalsContact C-N 3.34Å; K640-F642 PolarHBondContact O-N 3.39Å; F642-D644 VanDerWaalsContact C-N 3.31Å; F642-D644 PolarHBondContact O-N 3.23Å; F642-L645 HydrophobicContact CD1-CD2 4.49Å; F642-L645 PolarHBondContact O-N 3.24Å; F642-A646 WeakPolarHBondContact O-CB 3.44Å; F642-A646 PolarHBondContact O-N 3.08Å; F642-W687 HydrophobicContact CE1-CZ3 4.27Å; F642-Y688 HydrophobicContact CB-CE2 4.08Å; F642-Y688 AromaticContact CD1-CD2 3.58Å; F642-Y688 HydrophobicContact CD1-CD2 3.58Å; F642-Y688 AromaticContact CD1-CE2 3.57Å; F642-Y688 HydrophobicContact CD1-CE2 3.57Å; F642-Y688 HydrophobicContact CE1-CD2 4.04Å; F642-Y688 HydrophobicContact CE1-CE2 4.37Å; F642-Y688 HydrophobicContact CG-CE2 4.18Å; F642-N691 HydrophobicContact CZ-CB 4.22Å; F642-M692 HydrophobicContact CE1-CB 4.46Å; F642-M692 HydrophobicContact CZ-CB 4.31Å; F642-V706 HydrophobicContact CE2-CG1 4.07Å; F642-V706 HydrophobicContact CZ-CG1 3.81Å; F642-I711 HydrophobicContact CD1-CD1 4.08Å; F642-I711 HydrophobicContact CD1-CG1 4.33Å; F642-I711 HydrophobicContact CD1-CG2 4.06Å; F642-I711 HydrophobicContact CD2-CD1 3.71Å; F642-I711 HydrophobicContact CE1-CD1 3.9Å; F642-I711 HydrophobicContact CE1-CG1 3.98Å; F642-I711 HydrophobicContact CE1-CG2 4.42Å; F642-I711 HydrophobicContact CE2-CD1 3.51Å; F642-I711 HydrophobicContact CE2-CG1 4.41Å; F642-I711 HydrophobicContact CG-CD1 3.99Å; F642-I711 HydrophobicContact CG-CG2 4.46Å; F642-I711 HydrophobicContact CZ-CD1 3.62Å; F642-I711 HydrophobicContact CZ-CG1 4.02Å
643E96.6Very high96.1Very high119 Ų11957.6 Ų57.656%0.55629%0.287SS*.Hα-helixtrans-59.7-42.9173.6-75.8175-165.300111.6P639 K640 A646 R647P639-E643 WeakPolarHBondContact O-CG 3.34Å; P639-E643 PolarHBondContact O-N 2.81Å; K640-E643 PolarHBondContact O-N 3.46Å; E643-A646 PolarHBondContact O-N 3.37Å; E643-R647 WeakPolarHBondContact O-CB 3.22Å; E643-R647 PolarHBondContact O-N 2.81Å
644D97.2Very high96.1Very high33 Ų3358.5 Ų58.518%0.17629%0.294CS..Hα-helixtrans-66.9-40.2177.3-75.3-24000111.9K640 A641 F642 R647 S648 R715K640-D644 PolarHBondContact O-N 3.45Å; A641-D644 PolarHBondContact O-N 3.31Å; F642-D644 VanDerWaalsContact C-N 3.31Å; F642-D644 PolarHBondContact O-N 3.23Å; D644-R647 PolarHBondContact O-N 2.96Å; D644-R647 IonicContact OD1-CZ 2.62Å; D644-R647 IonicContact OD1-NH1 2.72Å; D644-R647 PolarHBondContact OD1-NH1 3.32Å; D644-R647 IonicContact OD1-NH2 3.02Å; D644-R647 PolarHBondContact OD1-NH2 2.81Å; D644-S648 PolarHBondContact O-N 3.05Å; D644-S648 VanDerWaalsContact O-N 3.09Å; D644-R715 IonicContact OD2-NH1 2.8Å
645L97.1Very high95.9Very high0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-63.1-44.8173.1173.357.6000111.9A641 F642 R647 S648 L649 W687 Y688 I711 A714 R715 M718A641-L645 PolarHBondContact O-N 2.82Å; F642-L645 HydrophobicContact CD1-CD2 4.49Å; F642-L645 PolarHBondContact O-N 3.24Å; L645-R647 VanDerWaalsContact C-N 3.26Å; L645-R647 PolarHBondContact O-N 3.32Å; L645-S648 PolarHBondContact O-N 3.32Å; L645-L649 HydrophobicContact CD1-CD1 4.28Å; L645-L649 HydrophobicContact CD1-CG 4.32Å; L645-L649 HydrophobicContact CG-CD1 4.2Å; L645-L649 PolarHBondContact O-N 3.49Å; L645-W687 HydrophobicContact CD2-CE3 4.17Å; L645-W687 HydrophobicContact CD2-CZ3 3.86Å; L645-Y688 HydrophobicContact CD2-CD2 3.97Å; L645-Y688 HydrophobicContact CG-CD2 4.21Å; L645-I711 HydrophobicContact CB-CG2 4.02Å; L645-I711 HydrophobicContact CD2-CG2 3.95Å; L645-A714 HydrophobicContact CD2-CB 4.16Å; L645-R715 HydrophobicContact CB-CB 4.32Å; L645-R715 HydrophobicContact CD1-CB 3.99Å; L645-M718 HydrophobicContact CD1-CG 4.35Å
646A96.6Very high95.9Very high32 Ų3259.1 Ų59.126%0.26429%0.293SS..Hα-helixtrans-60.7-37.7177.500000111.6F642 E643 L649 Q650 Y688F642-A646 WeakPolarHBondContact O-CB 3.44Å; F642-A646 PolarHBondContact O-N 3.08Å; E643-A646 PolarHBondContact O-N 3.37Å; A646-L649 PolarHBondContact O-N 3.45Å; A646-Q650 WeakPolarHBondContact O-CB 3.25Å; A646-Q650 PolarHBondContact O-N 2.86Å; A646-Y688 HydrophobicContact CB-CE2 4.13Å
647R97.1Very high95.8Very high125 Ų12560.5 Ų60.547%0.47229%0.292SS..Hα-helixtrans-63.9-44.7174.4-166.3-175.4-58.7128.89.1111.8E643 D644 L645 Q650 Q651E643-R647 WeakPolarHBondContact O-CB 3.22Å; E643-R647 PolarHBondContact O-N 2.81Å; D644-R647 PolarHBondContact O-N 2.96Å; D644-R647 IonicContact OD1-CZ 2.62Å; D644-R647 IonicContact OD1-NH1 2.72Å; D644-R647 PolarHBondContact OD1-NH1 3.32Å; D644-R647 IonicContact OD1-NH2 3.02Å; D644-R647 PolarHBondContact OD1-NH2 2.81Å; L645-R647 VanDerWaalsContact C-N 3.26Å; L645-R647 PolarHBondContact O-N 3.32Å; R647-Q650 PolarHBondContact O-N 2.74Å; R647-Q651 WeakPolarHBondContact O-CG 3.3Å; R647-Q651 PolarHBondContact O-N 3.3Å
648S96.9Very high95.7Very high14 Ų1457 Ų5710%0.09828%0.279CS..Hα-helixtrans-61.9-43.7175.1-75.80000112D644 L645 Q650 Q651 A652 R715D644-S648 PolarHBondContact O-N 3.05Å; D644-S648 VanDerWaalsContact O-N 3.09Å; L645-S648 PolarHBondContact O-N 3.32Å; S648-Q650 VanDerWaalsContact C-N 3.34Å; S648-Q650 PolarHBondContact O-N 3.03Å; S648-Q651 PolarHBondContact O-N 3.2Å; S648-A652 WeakPolarHBondContact O-CB 3.45Å; S648-A652 PolarHBondContact O-N 2.78Å; S648-R715 WeakPolarHBondContact OG-CG 3.35Å
649L96.5Very high95.5Very high9 Ų957.8 Ų57.85%0.04728%0.283CS..Hα-helixtrans-58.8-44.6174.6-78.6166.3000111.9L645 A646 Q651 A652 Q653 K684 Y685 Y688 M718L645-L649 HydrophobicContact CD1-CD1 4.28Å; L645-L649 HydrophobicContact CD1-CG 4.32Å; L645-L649 HydrophobicContact CG-CD1 4.2Å; L645-L649 PolarHBondContact O-N 3.49Å; A646-L649 PolarHBondContact O-N 3.45Å; L649-Q651 VanDerWaalsContact C-N 3.32Å; L649-Q651 PolarHBondContact O-N 3.4Å; L649-A652 PolarHBondContact O-N 3.22Å; L649-Q653 WeakPolarHBondContact O-CB 3.3Å; L649-Q653 PolarHBondContact O-N 3.5Å; L649-K684 HydrophobicContact CD2-CB 3.86Å; L649-Y685 HydrophobicContact CD1-CD2 4.4Å; L649-Y688 HydrophobicContact CD1-CG 4.29Å; L649-M718 HydrophobicContact CD2-CE 3.95Å; L649-M718 HydrophobicContact CD2-CG 4.13Å; L649-M718 HydrophobicContact CD2-SD 3.87Å; L649-M718 HydrophobicContact CG-CG 4.41Å
650Q96Very high95.3Very high111 Ų11159.4 Ų59.452%0.51928%0.284SS..Hα-helixtrans-64.6-37.1177.5-168.1-173.618.700112.3A646 R647 S648 K654A646-Q650 WeakPolarHBondContact O-CB 3.25Å; A646-Q650 PolarHBondContact O-N 2.86Å; R647-Q650 PolarHBondContact O-N 2.74Å; S648-Q650 VanDerWaalsContact C-N 3.34Å; S648-Q650 PolarHBondContact O-N 3.03Å; Q650-K654 WeakPolarHBondContact O-CG 3.41Å; Q650-K654 PolarHBondContact O-N 2.92Å
651Q95.3Very high95.1Very high120 Ų12056.5 Ų56.556%0.56129%0.287SS*.Hα-helixtrans-66.2-45.3175.7-74.8174.9-7.500111.5R647 S648 L649 Q653 K654 A655R647-Q651 WeakPolarHBondContact O-CG 3.3Å; R647-Q651 PolarHBondContact O-N 3.3Å; S648-Q651 PolarHBondContact O-N 3.2Å; L649-Q651 VanDerWaalsContact C-N 3.32Å; L649-Q651 PolarHBondContact O-N 3.4Å; Q651-Q653 VanDerWaalsContact C-N 3.35Å; Q651-Q653 PolarHBondContact O-N 3Å; Q651-K654 PolarHBondContact O-N 3.47Å; Q651-A655 PolarHBondContact O-N 3.37Å
652A94.9Very high94.8Very high10 Ų1064.6 Ų64.68%0.08332%0.32CS..Hα-helixtrans-60.2-43.6175.100000112S648 L649 K654 A655 Y656 L677 I681 M718S648-A652 WeakPolarHBondContact O-CB 3.45Å; S648-A652 PolarHBondContact O-N 2.78Å; L649-A652 PolarHBondContact O-N 3.22Å; A652-K654 PolarHBondContact O-N 2.98Å; A652-A655 WeakPolarHBondContact O-CB 3.39Å; A652-A655 PolarHBondContact O-N 3.37Å; A652-Y656 PolarHBondContact O-N 2.87Å; A652-L677 HydrophobicContact CB-CD1 4.13Å; A652-I681 HydrophobicContact CB-CD1 3.95Å; A652-I681 HydrophobicContact CB-CG1 3.79Å; A652-M718 HydrophobicContact CB-CE 3.18Å
653Q95.4Very high94.5Very high63 Ų6367.1 Ų67.129%0.29433%0.334SS..Hα-helixtrans-61.1-44.4176.3-177.259.532.500112.2L649 Q651 A655 Y656 E657L649-Q653 WeakPolarHBondContact O-CB 3.3Å; L649-Q653 PolarHBondContact O-N 3.5Å; Q651-Q653 VanDerWaalsContact C-N 3.35Å; Q651-Q653 PolarHBondContact O-N 3Å; Q653-A655 VanDerWaalsContact C-N 3.29Å; Q653-A655 PolarHBondContact O-N 3.03Å; Q653-Y656 PolarHBondContact O-N 2.91Å; Q653-E657 WeakPolarHBondContact CG-OE1 3.27Å; Q653-E657 PolarHBondContact NE2-OE1 2.96Å; Q653-E657 WeakPolarHBondContact O-CG 3.29Å; Q653-E657 PolarHBondContact O-N 3.5Å
654K94.9Very high94.2Very high120 Ų12066 Ų6652%0.52234%0.337SS..Hα-helixtrans-62.3-36.3174.8-75.6175.3179.4176.80112.5Q650 Q651 A652 A658Q650-K654 WeakPolarHBondContact O-CG 3.41Å; Q650-K654 PolarHBondContact O-N 2.92Å; Q651-K654 PolarHBondContact O-N 3.47Å; A652-K654 PolarHBondContact O-N 2.98Å; K654-A658 VanDerWaalsContact O-CB 3.28Å; K654-A658 WeakPolarHBondContact O-CB 3.37Å; K654-A658 PolarHBondContact O-N 3.15Å
655A92.9Very high93.9Very high20 Ų2070.9 Ų70.917%0.16536%0.361CS..Hα-helixtrans-62.6-44.9173.800000111.4Q651 A652 Q653 A658 Y659 F666 W669 L677Q651-A655 PolarHBondContact O-N 3.37Å; A652-A655 WeakPolarHBondContact O-CB 3.39Å; A652-A655 PolarHBondContact O-N 3.37Å; Q653-A655 VanDerWaalsContact C-N 3.29Å; Q653-A655 PolarHBondContact O-N 3.03Å; A655-A658 PolarHBondContact O-N 3.26Å; A655-Y659 PolarHBondContact O-N 3.08Å; A655-F666 HydrophobicContact CB-CE1 3.84Å; A655-F666 HydrophobicContact CB-CZ 3.77Å; A655-W669 HydrophobicContact CB-CH2 4.13Å; A655-L677 HydrophobicContact CB-CD2 4.37Å
656Y93.8Very high93.5Very high34 Ų3471.9 Ų71.913%0.13337%0.365CS..Hα-helixtrans-63.1-44.5176.2-178.5-96.9000112.8A652 Q653 A658 Y659 Q660 A674 L678A652-Y656 PolarHBondContact O-N 2.87Å; Q653-Y656 PolarHBondContact O-N 2.91Å; Y656-A658 VanDerWaalsContact C-N 3.34Å; Y656-A658 PolarHBondContact O-N 2.83Å; Y656-Y659 WeakPolarHBondContact O-CB 3.27Å; Y656-Y659 PolarHBondContact O-N 2.99Å; Y656-Q660 HydrophobicContact CD1-CG 4.24Å; Y656-Q660 HydrophobicContact CE1-CG 3.74Å; Y656-Q660 PolarHBondContact O-N 3.41Å; Y656-Q660 PolarHBondContact OH-NE2 2.92Å; Y656-A674 HydrophobicContact CD2-CB 4.49Å; Y656-A674 HydrophobicContact CE2-CB 4.22Å; Y656-L678 HydrophobicContact CD1-CD1 4.15Å; Y656-L678 HydrophobicContact CD2-CB 4.09Å; Y656-L678 HydrophobicContact CD2-CD1 4.46Å; Y656-L678 HydrophobicContact CE1-CD1 3.89Å; Y656-L678 HydrophobicContact CE2-CB 3.76Å; Y656-L678 HydrophobicContact CE2-CD1 4.22Å; Y656-L678 HydrophobicContact CE2-CD2 4.22Å; Y656-L678 HydrophobicContact CE2-CG 4.28Å; Y656-L678 HydrophobicContact CG-CD1 4.43Å
657E93.4Very high93Very high106 Ų10676.3 Ų76.350%0.49538%0.384SS..Hα-helixtrans-63.4-39.2176.8-73167.8-168.900112.4Q653 Q660 A661Q653-E657 WeakPolarHBondContact CG-OE1 3.27Å; Q653-E657 PolarHBondContact NE2-OE1 2.96Å; Q653-E657 WeakPolarHBondContact O-CG 3.29Å; Q653-E657 PolarHBondContact O-N 3.5Å; E657-Q660 PolarHBondContact O-N 3.25Å; E657-A661 WeakPolarHBondContact O-CB 2.99Å; E657-A661 PolarHBondContact O-N 2.94Å
658A92.9Very high92.6Very high22 Ų2276.9 Ų76.918%0.18239%0.392CS..Hα-helixtrans-65.5-40175.300000112K654 A655 Y656 A661 K662 N663 F666K654-A658 VanDerWaalsContact O-CB 3.28Å; K654-A658 WeakPolarHBondContact O-CB 3.37Å; K654-A658 PolarHBondContact O-N 3.15Å; A655-A658 PolarHBondContact O-N 3.26Å; Y656-A658 VanDerWaalsContact C-N 3.34Å; Y656-A658 PolarHBondContact O-N 2.83Å; A658-A661 PolarHBondContact O-N 2.86Å; A658-K662 PolarHBondContact O-N 3.26Å; A658-N663 HydrophobicContact CB-CB 4.06Å; A658-N663 WeakPolarHBondContact O-CB 2.98Å; A658-N663 PolarHBondContact O-N 3.26Å; A658-F666 HydrophobicContact CB-CD2 3.89Å; A658-F666 HydrophobicContact CB-CE2 3.44Å; A658-F666 VanDerWaalsContact CB-CE2 3.44Å; A658-F666 HydrophobicContact CB-CZ 4.35Å
659Y92.6Very high92.2Very high42 Ų4279.2 Ų79.217%0.16540%0.399CS..Hα-helixtrans-59.3-47.4170.7167.4-95.5000111.4A655 Y656 A661 K662 F666 W669 Q671 A674A655-Y659 PolarHBondContact O-N 3.08Å; Y656-Y659 WeakPolarHBondContact O-CB 3.27Å; Y656-Y659 PolarHBondContact O-N 2.99Å; Y659-A661 VanDerWaalsContact C-N 3.28Å; Y659-A661 PolarHBondContact O-N 3.46Å; Y659-K662 WeakPolarHBondContact O-CA 3.35Å; Y659-K662 PolarHBondContact O-N 3.5Å; Y659-F666 HydrophobicContact CD2-CB 3.96Å; Y659-F666 HydrophobicContact CG-CB 4.46Å; Y659-W669 HydrophobicContact CD2-CB 4.12Å; Y659-W669 HydrophobicContact CD2-CE3 4.26Å; Y659-W669 HydrophobicContact CE2-CB 4.06Å; Y659-W669 HydrophobicContact CG-CE3 4.31Å; Y659-Q671 PolarHBondContact OH-OE1 3.22Å; Y659-A674 HydrophobicContact CD1-CB 3.61Å; Y659-A674 HydrophobicContact CE1-CB 3.27Å; Y659-A674 HydrophobicContact CE2-CB 4.34Å; Y659-A674 HydrophobicContact CG-CB 4.3Å
660Q91.2Very high91.9Very high101 Ų10182.4 Ų82.447%0.47242%0.416SS..Hα-helixtrans-60.8-35.6177.1-74.9-68.7-17.500113Y656 E657 K662Y656-Q660 HydrophobicContact CD1-CG 4.24Å; Y656-Q660 HydrophobicContact CE1-CG 3.74Å; Y656-Q660 PolarHBondContact O-N 3.41Å; Y656-Q660 PolarHBondContact OH-NE2 2.92Å; E657-Q660 PolarHBondContact O-N 3.25Å; Q660-K662 PolarHBondContact O-N 3Å
661A92.9Very high91.5Very high80 Ų8081.4 Ų81.466%0.66141%0.411SS*.THydrogen-bonded Turntrans-74.54.4173.900000113.9E657 A658 Y659 N663E657-A661 WeakPolarHBondContact O-CB 2.99Å; E657-A661 PolarHBondContact O-N 2.94Å; A658-A661 PolarHBondContact O-N 2.86Å; Y659-A661 VanDerWaalsContact C-N 3.28Å; Y659-A661 PolarHBondContact O-N 3.46Å; A661-N663 VanDerWaalsContact C-N 3.28Å; A661-N663 PolarHBondContact O-N 3.36Å
662K90.4Very high91.3Very high180 Ų18082.4 Ų82.478%0.78341%0.413SS*.THydrogen-bonded Turntrans56.440-175.6-55.4-177.8179.7-178.20112.7A658 Y659 Q660 P664A658-K662 PolarHBondContact O-N 3.26Å; Y659-K662 WeakPolarHBondContact O-CA 3.35Å; Y659-K662 PolarHBondContact O-N 3.5Å; Q660-K662 PolarHBondContact O-N 3Å; K662-P664 WeakPolarHBondContact O-CD 3.35Å
663N90.6Very high91.1Very high69 Ų6984.6 Ų84.637%0.36942%0.424SS..  trans-64.4124.1172.8-175.8-30.5000109.2A658 A661 M665 F666A658-N663 HydrophobicContact CB-CB 4.06Å; A658-N663 WeakPolarHBondContact O-CB 2.98Å; A658-N663 PolarHBondContact O-N 3.26Å; A661-N663 VanDerWaalsContact C-N 3.28Å; A661-N663 PolarHBondContact O-N 3.36Å; N663-M665 PolarHBondContact O-N 2.89Å; N663-M665 WeakPolarHBondContact OD1-CB 3.43Å; N663-M665 PolarHBondContact OD1-N 2.96Å; N663-M665 VanDerWaalsContact OD1-N 3.08Å; N663-F666 HydrophobicContact CB-CD2 4.28Å; N663-F666 PolarHBondContact O-N 3.4Å
664P89.6Confident90.9Very high96 Ų9681.6 Ų81.662%0.62341%0.41SS*.G310 helixtrans-53.7-22.1-177.6-27.734.4000115K662 F666 D667K662-P664 WeakPolarHBondContact O-CD 3.35Å; P664-F666 PolarHBondContact O-N 3.45Å; P664-D667 PolarHBondContact O-N 3.14Å
665M90.1Very high90.7Very high135 Ų13579.8 Ų79.867%0.66541%0.406SS*.G310 helixtrans-56.9-27.4175.2-175173.517500113.3N663 H668N663-M665 PolarHBondContact O-N 2.89Å; N663-M665 WeakPolarHBondContact OD1-CB 3.43Å; N663-M665 PolarHBondContact OD1-N 2.96Å; N663-M665 VanDerWaalsContact OD1-N 3.08Å; M665-H668 PolarHBondContact O-CE1 2.87Å; M665-H668 PolarHBondContact O-ND1 3.21Å
666F88.8Confident90.7Very high20 Ų2086.8 Ų86.89%0.08843%0.428CS..G310 helixtrans-110.314.5-175.2-59-84.1000113.7A655 A658 Y659 N663 P664 H668 W669A655-F666 HydrophobicContact CB-CE1 3.84Å; A655-F666 HydrophobicContact CB-CZ 3.77Å; A658-F666 HydrophobicContact CB-CD2 3.89Å; A658-F666 HydrophobicContact CB-CE2 3.44Å; A658-F666 VanDerWaalsContact CB-CE2 3.44Å; A658-F666 HydrophobicContact CB-CZ 4.35Å; Y659-F666 HydrophobicContact CD2-CB 3.96Å; Y659-F666 HydrophobicContact CG-CB 4.46Å; N663-F666 HydrophobicContact CB-CD2 4.28Å; N663-F666 PolarHBondContact O-N 3.4Å; P664-F666 PolarHBondContact O-N 3.45Å; F666-H668 PolarHBondContact O-N 3.18Å; F666-W669 HydrophobicContact CB-CD2 4.43Å; F666-W669 HydrophobicContact CB-CE3 4.41Å; F666-W669 AromaticContact CD1-CD2 3.79Å; F666-W669 HydrophobicContact CD1-CD2 3.79Å; F666-W669 AromaticContact CD1-CE2 3.72Å; F666-W669 AromaticContact CD1-CE3 3.71Å; F666-W669 HydrophobicContact CD1-CE3 3.71Å; F666-W669 AromaticContact CD1-CH2 3.55Å; F666-W669 HydrophobicContact CD1-CH2 3.55Å; F666-W669 AromaticContact CD1-CZ2 3.62Å; F666-W669 HydrophobicContact CD1-CZ2 3.62Å; F666-W669 AromaticContact CD1-CZ3 3.59Å; F666-W669 HydrophobicContact CD1-CZ3 3.59Å; F666-W669 HydrophobicContact CE1-CE3 4.46Å; F666-W669 AromaticContact CE1-CH2 3.49Å; F666-W669 HydrophobicContact CE1-CH2 3.49Å; F666-W669 VanDerWaalsContact CE1-CH2 3.49Å; F666-W669 AromaticContact CE1-CZ2 3.71Å; F666-W669 HydrophobicContact CE1-CZ2 3.71Å; F666-W669 AromaticContact CE1-CZ3 3.89Å; F666-W669 HydrophobicContact CE1-CZ3 3.89Å; F666-W669 HydrophobicContact CG-CE3 4.41Å; F666-W669 WeakPolarHBondContact O-CB 3.23Å; F666-W669 PolarHBondContact O-N 3.2Å
667D87.8Confident90.7Very high125 Ų12586.8 Ų86.867%0.66843%0.43SS*.THydrogen-bonded Turntrans-60.1-18.5179.3-74.8-11.9000114P664P664-D667 PolarHBondContact O-N 3.14Å
668H88.6Confident90.7Very high138 Ų13884.7 Ų84.764%0.63942%0.422SS*.THydrogen-bonded Turntrans-84-10.8178.465.6-75.2000113.6M665 F666M665-H668 PolarHBondContact O-CE1 2.87Å; M665-H668 PolarHBondContact O-ND1 3.21Å; F666-H668 PolarHBondContact O-N 3.18Å
669W88.4Confident90.8Very high63 Ų6389.8 Ų89.824%0.23944%0.44CS..  trans-84.4135.4174.9-693000109.8A655 Y659 F666 D673 L677A655-W669 HydrophobicContact CB-CH2 4.13Å; Y659-W669 HydrophobicContact CD2-CB 4.12Å; Y659-W669 HydrophobicContact CD2-CE3 4.26Å; Y659-W669 HydrophobicContact CE2-CB 4.06Å; Y659-W669 HydrophobicContact CG-CE3 4.31Å; F666-W669 HydrophobicContact CB-CD2 4.43Å; F666-W669 HydrophobicContact CB-CE3 4.41Å; F666-W669 AromaticContact CD1-CD2 3.79Å; F666-W669 HydrophobicContact CD1-CD2 3.79Å; F666-W669 AromaticContact CD1-CE2 3.72Å; F666-W669 AromaticContact CD1-CE3 3.71Å; F666-W669 HydrophobicContact CD1-CE3 3.71Å; F666-W669 AromaticContact CD1-CH2 3.55Å; F666-W669 HydrophobicContact CD1-CH2 3.55Å; F666-W669 AromaticContact CD1-CZ2 3.62Å; F666-W669 HydrophobicContact CD1-CZ2 3.62Å; F666-W669 AromaticContact CD1-CZ3 3.59Å; F666-W669 HydrophobicContact CD1-CZ3 3.59Å; F666-W669 HydrophobicContact CE1-CE3 4.46Å; F666-W669 AromaticContact CE1-CH2 3.49Å; F666-W669 HydrophobicContact CE1-CH2 3.49Å; F666-W669 VanDerWaalsContact CE1-CH2 3.49Å; F666-W669 AromaticContact CE1-CZ2 3.71Å; F666-W669 HydrophobicContact CE1-CZ2 3.71Å; F666-W669 AromaticContact CE1-CZ3 3.89Å; F666-W669 HydrophobicContact CE1-CZ3 3.89Å; F666-W669 HydrophobicContact CG-CE3 4.41Å; F666-W669 WeakPolarHBondContact O-CB 3.23Å; F666-W669 PolarHBondContact O-N 3.2Å; W669-D673 HydrophobicContact CB-CB 4.22Å; W669-D673 HydrophobicContact CG-CB 4.33Å; W669-L677 HydrophobicContact CH2-CD2 3.54Å; W669-L677 HydrophobicContact CZ3-CD2 3.49Å; W669-L677 VanDerWaalsContact CZ3-CD2 3.49Å
670D88.9Confident90.8Very high75 Ų7589 Ų8940%0.40144%0.442SS..  trans-87.8173.4163.876.612.2000110.7K672 D673 A674D670-K672 PolarHBondContact O-N 3.08Å; D670-K672 VanDerWaalsContact OD1-CA 3.28Å; D670-K672 WeakPolarHBondContact OD1-CA 3.35Å; D670-K672 WeakPolarHBondContact OD1-CB 3.34Å; D670-K672 PolarHBondContact OD1-N 3.28Å; D670-D673 PolarHBondContact O-N 2.87Å; D670-D673 PolarHBondContact OD1-N 3.1Å; D670-A674 PolarHBondContact O-N 2.78Å
671Q88.6Confident91.1Very high91 Ų9184.7 Ų84.743%0.42542%0.422SS..Hα-helixtrans-59.8-28.7177.6-171.359.23800112.4Y659 D675Y659-Q671 PolarHBondContact OH-OE1 3.22Å; Q671-D675 PolarHBondContact NE2-OD1 3.46Å; Q671-D675 WeakPolarHBondContact O-CB 3.43Å; Q671-D675 PolarHBondContact O-N 3.32Å
672K91.2Very high91.2Very high140 Ų14085.5 Ų85.561%0.60941%0.412SS*.Hα-helixtrans-71.5-37.6179.4-58.3174.2178.1170.40111.4D670 D675 R676D670-K672 PolarHBondContact O-N 3.08Å; D670-K672 VanDerWaalsContact OD1-CA 3.28Å; D670-K672 WeakPolarHBondContact OD1-CA 3.35Å; D670-K672 WeakPolarHBondContact OD1-CB 3.34Å; D670-K672 PolarHBondContact OD1-N 3.28Å; K672-D675 PolarHBondContact O-N 3.39Å; K672-R676 WeakPolarHBondContact O-CB 3.49Å; K672-R676 VanDerWaalsContact O-CG 3.23Å; K672-R676 WeakPolarHBondContact O-CG 3.45Å; K672-R676 PolarHBondContact O-N 2.97Å
673D90.8Very high91.4Very high57 Ų5781.5 Ų81.531%0.30540%0.397SS..Hα-helixtrans-66.1-42.9175.6-67-37.1000111W669 D670 R676 L677W669-D673 HydrophobicContact CB-CB 4.22Å; W669-D673 HydrophobicContact CG-CB 4.33Å; D670-D673 PolarHBondContact O-N 2.87Å; D670-D673 PolarHBondContact OD1-N 3.1Å; D673-R676 PolarHBondContact O-N 3.33Å; D673-R676 IonicContact OD1-NH1 3.59Å; D673-R676 PolarHBondContact OD1-NH1 2.84Å; D673-L677 PolarHBondContact O-N 2.86Å
674A89.6Confident91.7Very high0 Ų080.4 Ų80.40%039%0.388CS..Hα-helixtrans-62.6-42.1173.100000112.5Y656 Y659 D670 L677 L678Y656-A674 HydrophobicContact CD2-CB 4.49Å; Y656-A674 HydrophobicContact CE2-CB 4.22Å; Y659-A674 HydrophobicContact CD1-CB 3.61Å; Y659-A674 HydrophobicContact CE1-CB 3.27Å; Y659-A674 HydrophobicContact CE2-CB 4.34Å; Y659-A674 HydrophobicContact CG-CB 4.3Å; D670-A674 PolarHBondContact O-N 2.78Å; A674-L677 PolarHBondContact O-N 3.46Å; A674-L678 WeakPolarHBondContact O-CB 3.22Å; A674-L678 PolarHBondContact O-N 3.09Å
675D92.7Very high92Very high81 Ų8180.7 Ų80.743%0.43338%0.378SS..Hα-helixtrans-65.5-38.4176.9-68.3-16.3000111.6Q671 K672 K679Q671-D675 PolarHBondContact NE2-OD1 3.46Å; Q671-D675 WeakPolarHBondContact O-CB 3.43Å; Q671-D675 PolarHBondContact O-N 3.32Å; K672-D675 PolarHBondContact O-N 3.39Å; D675-K679 VanDerWaalsContact O-CB 3.29Å; D675-K679 WeakPolarHBondContact O-CB 3.04Å; D675-K679 PolarHBondContact O-N 2.96Å
676R92.6Very high92.3Very high167 Ų16779.4 Ų79.463%0.6337%0.37SS*.Hα-helixtrans-63.1-46.3173.7-77.3169.5-176.9163.4-3111.5K672 D673 K679 A680K672-R676 WeakPolarHBondContact O-CB 3.49Å; K672-R676 VanDerWaalsContact O-CG 3.23Å; K672-R676 WeakPolarHBondContact O-CG 3.45Å; K672-R676 PolarHBondContact O-N 2.97Å; D673-R676 PolarHBondContact O-N 3.33Å; D673-R676 IonicContact OD1-NH1 3.59Å; D673-R676 PolarHBondContact OD1-NH1 2.84Å; R676-K679 PolarHBondContact O-N 3.28Å; R676-A680 WeakPolarHBondContact O-CB 3.47Å; R676-A680 PolarHBondContact O-N 2.91Å
677L92.8Very high92.7Very high34 Ų3481.5 Ų81.518%0.17838%0.377CS..Hα-helixtrans-62.5-47.9177.9178.862.7000110.8A652 A655 W669 D673 A674 K679 A680 I681A652-L677 HydrophobicContact CB-CD1 4.13Å; A655-L677 HydrophobicContact CB-CD2 4.37Å; W669-L677 HydrophobicContact CH2-CD2 3.54Å; W669-L677 HydrophobicContact CZ3-CD2 3.49Å; W669-L677 VanDerWaalsContact CZ3-CD2 3.49Å; D673-L677 PolarHBondContact O-N 2.86Å; A674-L677 PolarHBondContact O-N 3.46Å; L677-K679 VanDerWaalsContact C-N 3.29Å; L677-K679 PolarHBondContact O-N 3.37Å; L677-A680 PolarHBondContact O-N 2.99Å; L677-A680 VanDerWaalsContact O-N 3.13Å; L677-I681 HydrophobicContact CD1-CD1 4.15Å; L677-I681 HydrophobicContact CD1-CG1 4.25Å; L677-I681 HydrophobicContact CD2-CD1 4.44Å; L677-I681 HydrophobicContact CG-CD1 3.82Å; L677-I681 HydrophobicContact CG-CG1 4.38Å; L677-I681 VanDerWaalsContact O-CG1 3.3Å; L677-I681 WeakPolarHBondContact O-CG1 3.31Å; L677-I681 PolarHBondContact O-N 3.25Å
678L93.4Very high93Very high63 Ų6377.3 Ų77.333%0.3335%0.353SS..Hα-helixtrans-57.9-44.3177.5-176.666.3000111.3Y656 A674 A680 I681 E682Y656-L678 HydrophobicContact CD1-CD1 4.15Å; Y656-L678 HydrophobicContact CD2-CB 4.09Å; Y656-L678 HydrophobicContact CD2-CD1 4.46Å; Y656-L678 HydrophobicContact CE1-CD1 3.89Å; Y656-L678 HydrophobicContact CE2-CB 3.76Å; Y656-L678 HydrophobicContact CE2-CD1 4.22Å; Y656-L678 HydrophobicContact CE2-CD2 4.22Å; Y656-L678 HydrophobicContact CE2-CG 4.28Å; Y656-L678 HydrophobicContact CG-CD1 4.43Å; A674-L678 WeakPolarHBondContact O-CB 3.22Å; A674-L678 PolarHBondContact O-N 3.09Å; L678-A680 PolarHBondContact O-N 3.07Å; L678-I681 PolarHBondContact O-N 3.32Å; L678-E682 WeakPolarHBondContact O-CB 3.47Å; L678-E682 PolarHBondContact O-N 2.68Å
679K94.5Very high93.4Very high129 Ų12974.5 Ų74.556%0.56134%0.34SS*.Hα-helixtrans-61.5-43.7176-167.9-174.6-172.5-112.10111.6D675 R676 L677 E682 E683D675-K679 VanDerWaalsContact O-CB 3.29Å; D675-K679 WeakPolarHBondContact O-CB 3.04Å; D675-K679 PolarHBondContact O-N 2.96Å; R676-K679 PolarHBondContact O-N 3.28Å; L677-K679 VanDerWaalsContact C-N 3.29Å; L677-K679 PolarHBondContact O-N 3.37Å; K679-E682 PolarHBondContact O-N 3.04Å; K679-E683 WeakPolarHBondContact CE-OE1 3.42Å; K679-E683 HydrophobicContact CG-CG 4.4Å; K679-E683 IonicContact NZ-OE1 2.91Å; K679-E683 PolarHBondContact NZ-OE1 3.19Å; K679-E683 VanDerWaalsContact O-CB 3.32Å; K679-E683 WeakPolarHBondContact O-CB 3.1Å; K679-E683 VanDerWaalsContact O-CG 3.24Å; K679-E683 WeakPolarHBondContact O-CG 3.49Å; K679-E683 PolarHBondContact O-N 3.07Å
680A94.4Very high93.7Very high25 Ų2578 Ų7821%0.20736%0.357CS..Hα-helixtrans-64.6-42.7177.900000112R676 L677 L678 E683 K684R676-A680 WeakPolarHBondContact O-CB 3.47Å; R676-A680 PolarHBondContact O-N 2.91Å; L677-A680 PolarHBondContact O-N 2.99Å; L677-A680 VanDerWaalsContact O-N 3.13Å; L678-A680 PolarHBondContact O-N 3.07Å; A680-E683 PolarHBondContact O-N 3.17Å; A680-K684 VanDerWaalsContact O-CB 3.27Å; A680-K684 WeakPolarHBondContact O-CB 3.44Å; A680-K684 VanDerWaalsContact O-CG 3.29Å; A680-K684 WeakPolarHBondContact O-CG 3.25Å; A680-K684 PolarHBondContact O-N 3.3Å
681I95.8Very high94.1Very high10 Ų1075 Ų755%0.05134%0.341CS..Hα-helixtrans-58.2-51.7174.4-67.7163.1000109.8A652 L677 L678 K684 Y685 M718A652-I681 HydrophobicContact CB-CD1 3.95Å; A652-I681 HydrophobicContact CB-CG1 3.79Å; L677-I681 HydrophobicContact CD1-CD1 4.15Å; L677-I681 HydrophobicContact CD1-CG1 4.25Å; L677-I681 HydrophobicContact CD2-CD1 4.44Å; L677-I681 HydrophobicContact CG-CD1 3.82Å; L677-I681 HydrophobicContact CG-CG1 4.38Å; L677-I681 VanDerWaalsContact O-CG1 3.3Å; L677-I681 WeakPolarHBondContact O-CG1 3.31Å; L677-I681 PolarHBondContact O-N 3.25Å; L678-I681 PolarHBondContact O-N 3.32Å; I681-K684 PolarHBondContact O-N 3.43Å; I681-Y685 WeakPolarHBondContact O-CB 3.35Å; I681-Y685 PolarHBondContact O-N 3.43Å; I681-M718 HydrophobicContact CG1-CE 3.75Å
682E95.1Very high94.3Very high98 Ų9874.2 Ų74.246%0.45834%0.338SS..Hα-helixtrans-61.1-49-179.2-175.661.3-150.700111.3L678 K679 K684 Y685 Q686L678-E682 WeakPolarHBondContact O-CB 3.47Å; L678-E682 PolarHBondContact O-N 2.68Å; K679-E682 PolarHBondContact O-N 3.04Å; E682-K684 PolarHBondContact O-N 3.12Å; E682-Y685 PolarHBondContact O-N 3.47Å; E682-Q686 WeakPolarHBondContact O-CB 3Å; E682-Q686 VanDerWaalsContact O-CG 3.24Å; E682-Q686 WeakPolarHBondContact O-CG 3.42Å; E682-Q686 PolarHBondContact O-N 3.14Å; E682-Q686 PolarHBondContact OE1-NE2 3.15Å
683E96.2Very high94.5Very high96 Ų9671.2 Ų71.245%0.44933%0.329SS..Hα-helixtrans-59.6-43.8178.5-75.9178.2-175.500112.2K679 A680 W687K679-E683 WeakPolarHBondContact CE-OE1 3.42Å; K679-E683 HydrophobicContact CG-CG 4.4Å; K679-E683 IonicContact NZ-OE1 2.91Å; K679-E683 PolarHBondContact NZ-OE1 3.19Å; K679-E683 VanDerWaalsContact O-CB 3.32Å; K679-E683 WeakPolarHBondContact O-CB 3.1Å; K679-E683 VanDerWaalsContact O-CG 3.24Å; K679-E683 WeakPolarHBondContact O-CG 3.49Å; K679-E683 PolarHBondContact O-N 3.07Å; A680-E683 PolarHBondContact O-N 3.17Å; E683-W687 WeakPolarHBondContact O-CB 3.27Å; E683-W687 PolarHBondContact O-N 3.05Å
684K96.1Very high94.6Very high45 Ų4571.5 Ų71.520%0.19633%0.329CS..Hα-helixtrans-79.4-31.4-178.3-67.8-57.7-176.1-175.90113.2L649 A680 I681 E682 W687 Y688 A714 M718L649-K684 HydrophobicContact CD2-CB 3.86Å; A680-K684 VanDerWaalsContact O-CB 3.27Å; A680-K684 WeakPolarHBondContact O-CB 3.44Å; A680-K684 VanDerWaalsContact O-CG 3.29Å; A680-K684 WeakPolarHBondContact O-CG 3.25Å; A680-K684 PolarHBondContact O-N 3.3Å; I681-K684 PolarHBondContact O-N 3.43Å; E682-K684 PolarHBondContact O-N 3.12Å; K684-W687 PolarHBondContact O-N 3.03Å; K684-Y688 VanDerWaalsContact O-CB 3.27Å; K684-Y688 WeakPolarHBondContact O-CB 3.46Å; K684-Y688 PolarHBondContact O-N 2.84Å; K684-A714 HydrophobicContact CD-CB 4.45Å; K684-M718 HydrophobicContact CB-CG 4.31Å; K684-M718 HydrophobicContact CB-SD 3.76Å; K684-M718 HydrophobicContact CG-CG 4.25Å; K684-M718 HydrophobicContact CG-SD 3.66Å
685Y96.1Very high94.7Very high102 Ų10272.7 Ų72.740%0.433%0.334SS..Hα-helixtrans-66.1-45.9172-173.3-92.2000110.4L649 I681 E682 W687 Y688 E689L649-Y685 HydrophobicContact CD1-CD2 4.4Å; I681-Y685 WeakPolarHBondContact O-CB 3.35Å; I681-Y685 PolarHBondContact O-N 3.43Å; E682-Y685 PolarHBondContact O-N 3.47Å; Y685-W687 VanDerWaalsContact C-N 3.31Å; Y685-W687 PolarHBondContact O-N 2.78Å; Y685-Y688 WeakPolarHBondContact O-CB 3.41Å; Y685-Y688 PolarHBondContact O-N 2.85Å; Y685-E689 HydrophobicContact CD1-CG 4.24Å; Y685-E689 HydrophobicContact CE1-CG 3.74Å; Y685-E689 WeakPolarHBondContact CE1-OE1 3.32Å; Y685-E689 VanDerWaalsContact CZ-OE1 3.28Å; Y685-E689 PolarHBondContact O-N 3.44Å; Y685-E689 PolarHBondContact OH-OE1 3.02Å
686Q95.9Very high94.7Very high108 Ų10873 Ų7351%0.50534%0.343SS..Hα-helixtrans-59.6-41.8171.9-72.5-179.811.200111.9E682 K690E682-Q686 WeakPolarHBondContact O-CB 3Å; E682-Q686 VanDerWaalsContact O-CG 3.24Å; E682-Q686 WeakPolarHBondContact O-CG 3.42Å; E682-Q686 PolarHBondContact O-N 3.14Å; E682-Q686 PolarHBondContact OE1-NE2 3.15Å; Q686-K690 WeakPolarHBondContact O-CB 3.06Å; Q686-K690 PolarHBondContact O-N 2.98Å
687W96.3Very high94.7Very high64 Ų6474.9 Ų74.924%0.24235%0.35CS..Hα-helixtrans-62.5-45.2174.7-174.597.1000111.7F642 L645 E683 K684 Y685 K690 N691 V706 Q710 I711 A714F642-W687 HydrophobicContact CE1-CZ3 4.27Å; L645-W687 HydrophobicContact CD2-CE3 4.17Å; L645-W687 HydrophobicContact CD2-CZ3 3.86Å; E683-W687 WeakPolarHBondContact O-CB 3.27Å; E683-W687 PolarHBondContact O-N 3.05Å; K684-W687 PolarHBondContact O-N 3.03Å; Y685-W687 VanDerWaalsContact C-N 3.31Å; Y685-W687 PolarHBondContact O-N 2.78Å; W687-K690 PolarHBondContact O-N 3.21Å; W687-N691 HydrophobicContact CE3-CB 4.49Å; W687-N691 HydrophobicContact CH2-CB 4.34Å; W687-N691 HydrophobicContact CZ2-CB 4.46Å; W687-N691 HydrophobicContact CZ3-CB 4.36Å; W687-N691 PolarHBondContact NE1-ND2 2.9Å; W687-N691 VanDerWaalsContact NE1-ND2 3.2Å; W687-N691 WeakPolarHBondContact O-CB 3.41Å; W687-N691 PolarHBondContact O-N 3.06Å; W687-N691 PolarHBondContact O-ND2 3.47Å; W687-V706 HydrophobicContact CH2-CG2 3.6Å; W687-V706 HydrophobicContact CZ2-CG2 3.87Å; W687-Q710 HydrophobicContact CH2-CB 4.46Å; W687-Q710 HydrophobicContact CZ2-CB 4.29Å; W687-I711 HydrophobicContact CH2-CG1 3.99Å; W687-I711 HydrophobicContact CZ3-CG1 4.32Å; W687-A714 HydrophobicContact CD2-CB 4.42Å; W687-A714 HydrophobicContact CE3-CB 3.97Å; W687-A714 HydrophobicContact CH2-CB 4.11Å; W687-A714 HydrophobicContact CZ3-CB 3.8Å
688Y96.1Very high94.7Very high38 Ų3876.7 Ų76.715%0.14936%0.357CS..Hα-helixtrans-57.9-54.6177.8167.4-92000110.6F642 L645 A646 L649 K684 Y685 K690 N691 M692F642-Y688 HydrophobicContact CB-CE2 4.08Å; F642-Y688 AromaticContact CD1-CD2 3.58Å; F642-Y688 HydrophobicContact CD1-CD2 3.58Å; F642-Y688 AromaticContact CD1-CE2 3.57Å; F642-Y688 HydrophobicContact CD1-CE2 3.57Å; F642-Y688 HydrophobicContact CE1-CD2 4.04Å; F642-Y688 HydrophobicContact CE1-CE2 4.37Å; F642-Y688 HydrophobicContact CG-CE2 4.18Å; L645-Y688 HydrophobicContact CD2-CD2 3.97Å; L645-Y688 HydrophobicContact CG-CD2 4.21Å; A646-Y688 HydrophobicContact CB-CE2 4.13Å; L649-Y688 HydrophobicContact CD1-CG 4.29Å; K684-Y688 VanDerWaalsContact O-CB 3.27Å; K684-Y688 WeakPolarHBondContact O-CB 3.46Å; K684-Y688 PolarHBondContact O-N 2.84Å; Y685-Y688 WeakPolarHBondContact O-CB 3.41Å; Y685-Y688 PolarHBondContact O-N 2.85Å; Y688-K690 PolarHBondContact O-N 2.64Å; Y688-N691 PolarHBondContact O-N 2.67Å; Y688-M692 HydrophobicContact CE1-CE 3.8Å; Y688-M692 HydrophobicContact CE1-SD 4.05Å; Y688-M692 HydrophobicContact CE2-SD 4.39Å; Y688-M692 WeakPolarHBondContact O-CB 3.42Å; Y688-M692 PolarHBondContact O-N 3.11Å; Y688-M692 PolarHBondContact OH-SD 3.5Å; Y688-M692 VanDerWaalsContact OH-SD 3.36Å
689E95.4Very high94.6Very high79 Ų7980.4 Ų80.437%0.36937%0.371SS..Hα-helixtrans-61.8-44.7-180-72.7-166.2145.700111.4Y685 N691 N693Y685-E689 HydrophobicContact CD1-CG 4.24Å; Y685-E689 HydrophobicContact CE1-CG 3.74Å; Y685-E689 WeakPolarHBondContact CE1-OE1 3.32Å; Y685-E689 VanDerWaalsContact CZ-OE1 3.28Å; Y685-E689 PolarHBondContact O-N 3.44Å; Y685-E689 PolarHBondContact OH-OE1 3.02Å; E689-N691 PolarHBondContact O-N 2.8Å; E689-N693 WeakPolarHBondContact O-CB 3.2Å; E689-N693 PolarHBondContact O-N 2.92Å; E689-N693 PolarHBondContact O-ND2 2.83Å
690K95.9Very high94.5Very high136 Ų13678 Ų7859%0.59137%0.368SS*.Hα-helixtrans-57.9-51.1178179.1-177.6175.6-176.50111.5Q686 W687 Y688 N693 M694Q686-K690 WeakPolarHBondContact O-CB 3.06Å; Q686-K690 PolarHBondContact O-N 2.98Å; W687-K690 PolarHBondContact O-N 3.21Å; Y688-K690 PolarHBondContact O-N 2.64Å; K690-N693 PolarHBondContact O-N 3.02Å; K690-M694 HydrophobicContact CD-SD 4.42Å; K690-M694 HydrophobicContact CG-CG 4.49Å; K690-M694 HydrophobicContact CG-SD 3.87Å; K690-M694 WeakPolarHBondContact O-CB 3.04Å; K690-M694 VanDerWaalsContact O-CG 3.23Å; K690-M694 WeakPolarHBondContact O-CG 3.47Å; K690-M694 PolarHBondContact O-N 3.11Å
691N96.1Very high94.4Very high13 Ų1378.2 Ų78.27%0.0737%0.367CS..Hα-helixtrans-74-36.5-175-75.6-81.4000112.3F642 W687 Y688 E689 M694 Q695 V706F642-N691 HydrophobicContact CZ-CB 4.22Å; W687-N691 HydrophobicContact CE3-CB 4.49Å; W687-N691 HydrophobicContact CH2-CB 4.34Å; W687-N691 HydrophobicContact CZ2-CB 4.46Å; W687-N691 HydrophobicContact CZ3-CB 4.36Å; W687-N691 PolarHBondContact NE1-ND2 2.9Å; W687-N691 VanDerWaalsContact NE1-ND2 3.2Å; W687-N691 WeakPolarHBondContact O-CB 3.41Å; W687-N691 PolarHBondContact O-N 3.06Å; W687-N691 PolarHBondContact O-ND2 3.47Å; Y688-N691 PolarHBondContact O-N 2.67Å; E689-N691 PolarHBondContact O-N 2.8Å; N691-M694 PolarHBondContact O-N 2.75Å; N691-Q695 VanDerWaalsContact O-CB 3.26Å; N691-Q695 WeakPolarHBondContact O-CB 3.43Å; N691-Q695 PolarHBondContact O-N 3.29Å; N691-V706 HydrophobicContact CB-CB 4.11Å; N691-V706 HydrophobicContact CB-CG1 4.16Å; N691-V706 HydrophobicContact CB-CG2 4.11Å
692M93.8Very high94.3Very high73 Ų7380.5 Ų80.536%0.3638%0.38SS..Hα-helixtrans-62.9-44.7172.8-17117567.600110.9F642 Y688 Q695 S696F642-M692 HydrophobicContact CE1-CB 4.46Å; F642-M692 HydrophobicContact CZ-CB 4.31Å; Y688-M692 HydrophobicContact CE1-CE 3.8Å; Y688-M692 HydrophobicContact CE1-SD 4.05Å; Y688-M692 HydrophobicContact CE2-SD 4.39Å; Y688-M692 WeakPolarHBondContact O-CB 3.42Å; Y688-M692 PolarHBondContact O-N 3.11Å; Y688-M692 PolarHBondContact OH-SD 3.5Å; Y688-M692 VanDerWaalsContact OH-SD 3.36Å; M692-Q695 PolarHBondContact O-N 3.06Å; M692-S696 WeakPolarHBondContact O-CB 3.35Å; M692-S696 PolarHBondContact O-N 3.23Å
693N94Very high94.1Very high78 Ų7880 Ų8042%0.41739%0.385SS..Hα-helixtrans-65.8-44.2176.6-75.2-35.6000112.3E689 K690 Q695 S696 R697E689-N693 WeakPolarHBondContact O-CB 3.2Å; E689-N693 PolarHBondContact O-N 2.92Å; E689-N693 PolarHBondContact O-ND2 2.83Å; K690-N693 PolarHBondContact O-N 3.02Å; N693-Q695 VanDerWaalsContact C-N 3.34Å; N693-Q695 PolarHBondContact O-N 3.5Å; N693-S696 PolarHBondContact O-N 2.75Å; N693-S696 PolarHBondContact O-OG 3.23Å; N693-R697 WeakPolarHBondContact O-CG 3.49Å; N693-R697 PolarHBondContact O-N 3.32Å
694M93.6Very high93.9Very high63 Ų6376 Ų7631%0.3137%0.367SS..Hα-helixtrans-58.1-48.2174.3-78.7175.39.400111K690 N691 S696 R697 H698K690-M694 HydrophobicContact CD-SD 4.42Å; K690-M694 HydrophobicContact CG-CG 4.49Å; K690-M694 HydrophobicContact CG-SD 3.87Å; K690-M694 WeakPolarHBondContact O-CB 3.04Å; K690-M694 VanDerWaalsContact O-CG 3.23Å; K690-M694 WeakPolarHBondContact O-CG 3.47Å; K690-M694 PolarHBondContact O-N 3.11Å; N691-M694 PolarHBondContact O-N 2.75Å; M694-S696 VanDerWaalsContact C-N 3.32Å; M694-S696 PolarHBondContact O-N 3.12Å; M694-R697 WeakPolarHBondContact O-CB 3.43Å; M694-R697 PolarHBondContact O-N 3.48Å; M694-R697 VanDerWaalsContact O-N 3.13Å; M694-H698 PolarHBondContact O-CD2 3Å; M694-H698 VanDerWaalsContact O-CD2 3.31Å
695Q92.8Very high93.8Very high24 Ų2475.3 Ų75.311%0.11237%0.368CS..Hα-helixtrans-65-35.6-179.3-172.758.547.300112.5R638 N691 M692 N693 R697 H698 S705 V706R638-Q695 VanDerWaalsContact CZ-CD 3.49Å; N691-Q695 VanDerWaalsContact O-CB 3.26Å; N691-Q695 WeakPolarHBondContact O-CB 3.43Å; N691-Q695 PolarHBondContact O-N 3.29Å; M692-Q695 PolarHBondContact O-N 3.06Å; N693-Q695 VanDerWaalsContact C-N 3.34Å; N693-Q695 PolarHBondContact O-N 3.5Å; Q695-R697 PolarHBondContact O-N 3.5Å; Q695-H698 PolarHBondContact O-N 3.39Å; Q695-H698 VanDerWaalsContact O-N 3.12Å; Q695-S705 WeakPolarHBondContact CA-OG 3.3Å; Q695-S705 WeakPolarHBondContact CB-OG 3.32Å; Q695-S705 PolarHBondContact N-OG 2.78Å; Q695-S705 PolarHBondContact OE1-OG 2.95Å; Q695-V706 HydrophobicContact CB-CG1 4.18Å
696S92.4Very high93.8Very high88 Ų8870.4 Ų70.462%0.61535%0.349SS*.Hα-helixtrans-62.8-21.3176.7760000113.7M692 N693 M694M692-S696 WeakPolarHBondContact O-CB 3.35Å; M692-S696 PolarHBondContact O-N 3.23Å; N693-S696 PolarHBondContact O-N 2.75Å; N693-S696 PolarHBondContact O-OG 3.23Å; M694-S696 VanDerWaalsContact C-N 3.32Å; M694-S696 PolarHBondContact O-N 3.12Å
697R92.8Very high93.8Very high206 Ų20668.1 Ų68.178%0.77734%0.337SS*.THydrogen-bonded Turntrans-88.2-13.9178.2-64.2172.3-174.7-177.91.6113.1N693 M694 Q695N693-R697 WeakPolarHBondContact O-CG 3.49Å; N693-R697 PolarHBondContact O-N 3.32Å; M694-R697 WeakPolarHBondContact O-CB 3.43Å; M694-R697 PolarHBondContact O-N 3.48Å; M694-R697 VanDerWaalsContact O-N 3.13Å; Q695-R697 PolarHBondContact O-N 3.5Å
698H91.4Very high93.8Very high73 Ų7366 Ų6634%0.33833%0.331SS..SBendtrans-81.9138177.8-80.8-132.5000110M694 Q695 D702 P703M694-H698 PolarHBondContact O-CD2 3Å; M694-H698 VanDerWaalsContact O-CD2 3.31Å; Q695-H698 PolarHBondContact O-N 3.39Å; Q695-H698 VanDerWaalsContact O-N 3.12Å; H698-D702 HydrophobicContact CB-CB 4.19Å; H698-P703 PolarHBondContact ND1-O 3.06Å
699K92.1Very high93.8Very high140 Ų14068 Ų6861%0.60935%0.351SS*.  trans-69.9155.3168.6-61.7176.6-177.4176.10109.1T701 D702K699-T701 PolarHBondContact O-N 3.1Å; K699-D702 WeakPolarHBondContact CB-OD2 3.33Å; K699-D702 PolarHBondContact N-OD2 3.21Å; K699-D702 WeakPolarHBondContact O-CB 3.43Å; K699-D702 PolarHBondContact O-N 3.14Å
700P92.4Very high93.9Very high78 Ų7868.6 Ų68.651%0.50635%0.353SS..THydrogen-bonded Turntrans-57.4-21.4172.7-25.835.6000114S579 F580 R631S579-P700 WeakPolarHBondContact O-CB 3.5Å; F580-P700 HydrophobicContact CD1-CB 3.93Å; F580-P700 WeakPolarHBondContact CD1-O 3.04Å; F580-P700 HydrophobicContact CE1-CB 4Å; R631-P700 WeakPolarHBondContact CD-O 3.34Å
701T92.9Very high93.9Very high31 Ų3162.1 Ų62.119%0.1933%0.325CS..THydrogen-bonded Turntrans-81.6-15.6175550000114.2T582 R631 K699T582-T701 HydrophobicContact CG2-CG2 4.05Å; R631-T701 VanDerWaalsContact CD-O 3.3Å; R631-T701 WeakPolarHBondContact CD-O 3.44Å; R631-T701 VanDerWaalsContact CZ-O 3.24Å; R631-T701 PolarHBondContact NE-O 3.32Å; R631-T701 PolarHBondContact NH1-O 3Å; K699-T701 PolarHBondContact O-N 3.1Å
702D92.4Very high93.9Very high58 Ų5864.2 Ų64.231%0.3134%0.338SS..SBendtrans-84.1150.1-178.1-57.2-23.5000109.7R631 H698 K699R631-D702 WeakPolarHBondContact CD-O 3.3Å; H698-D702 HydrophobicContact CB-CB 4.19Å; K699-D702 WeakPolarHBondContact CB-OD2 3.33Å; K699-D702 PolarHBondContact N-OD2 3.21Å; K699-D702 WeakPolarHBondContact O-CB 3.43Å; K699-D702 PolarHBondContact O-N 3.14Å
703P90.8Very high94Very high87 Ų8763 Ų6357%0.56534%0.34SS*.PPolyproline II helixtrans-52.9145.1171.5-25.234.3000111.5H698 S705H698-P703 PolarHBondContact ND1-O 3.06Å; P703-S705 PolarHBondContact O-N 3.25Å
704P92.7Very high94Very high12 Ų1259.4 Ų59.48%0.07832%0.321CS..PPolyproline II helixtrans-53.7129.6172.7-2535.3000110.9E634 F707E634-P704 HydrophobicContact CB-CG 3.96Å; E634-P704 HydrophobicContact CG-CG 3.94Å; P704-F707 HydrophobicContact CB-CD2 4.32Å; P704-F707 HydrophobicContact CB-CE1 4.4Å; P704-F707 HydrophobicContact CB-CE2 4.11Å; P704-F707 HydrophobicContact CB-CZ 4.15Å; P704-F707 HydrophobicContact CG-CE1 4.17Å; P704-F707 HydrophobicContact CG-CZ 4.14Å
705S93.8Very high94.1Very high30 Ų3061.3 Ų61.321%0.2133%0.325CS..SBendtrans-73.4-24.3170.768.40000111.9Q695 P703Q695-S705 WeakPolarHBondContact CA-OG 3.3Å; Q695-S705 WeakPolarHBondContact CB-OG 3.32Å; Q695-S705 PolarHBondContact N-OG 2.78Å; Q695-S705 PolarHBondContact OE1-OG 2.95Å; P703-S705 PolarHBondContact O-N 3.25Å
706V95.3Very high94.1Very high0 Ų067.5 Ų67.50%035%0.354CS..SBendtrans-145.9130.9178.563.90000109.1R638 F642 W687 N691 Q695 Q710 I711R638-V706 PolarHBondContact NE-O 3.5Å; F642-V706 HydrophobicContact CE2-CG1 4.07Å; F642-V706 HydrophobicContact CZ-CG1 3.81Å; W687-V706 HydrophobicContact CH2-CG2 3.6Å; W687-V706 HydrophobicContact CZ2-CG2 3.87Å; N691-V706 HydrophobicContact CB-CB 4.11Å; N691-V706 HydrophobicContact CB-CG1 4.16Å; N691-V706 HydrophobicContact CB-CG2 4.11Å; Q695-V706 HydrophobicContact CB-CG1 4.18Å; V706-Q710 HydrophobicContact CG2-CB 4.18Å; V706-I711 HydrophobicContact CG1-CD1 4.47Å; V706-I711 HydrophobicContact CG2-CD1 4.41Å; V706-I711 HydrophobicContact CG2-CG1 3.91Å
707F96.2Very high93.9Very high59 Ų5967.5 Ų67.526%0.25935%0.35SS..  trans-91.7150.3-179.4-74.1-101000111.2E630 E634 P704 S709 Q710 I711E630-F707 HydrophobicContact CG-CE1 4.34Å; E634-F707 HydrophobicContact CG-CD1 4.22Å; E634-F707 WeakPolarHBondContact OE1-CD1 3.24Å; E634-F707 VanDerWaalsContact OE2-CA 3.3Å; E634-F707 WeakPolarHBondContact OE2-CA 3.43Å; P704-F707 HydrophobicContact CB-CD2 4.32Å; P704-F707 HydrophobicContact CB-CE1 4.4Å; P704-F707 HydrophobicContact CB-CE2 4.11Å; P704-F707 HydrophobicContact CB-CZ 4.15Å; P704-F707 HydrophobicContact CG-CE1 4.17Å; P704-F707 HydrophobicContact CG-CZ 4.14Å; F707-S709 PolarHBondContact O-N 2.95Å; F707-Q710 HydrophobicContact CB-CG 4.3Å; F707-Q710 WeakPolarHBondContact O-CB 3.41Å; F707-Q710 PolarHBondContact O-N 3.36Å; F707-I711 PolarHBondContact O-N 3.1Å
708V96.8Very high93.6Very high20 Ų2060.6 Ų60.612%0.12133%0.327CS..Hα-helixtrans-51.5-41.5174.6170.10000111.4E634 E637 R638 A641 Q710 I711 V712E634-V708 WeakPolarHBondContact OE2-CG2 3.44Å; E634-V708 PolarHBondContact OE2-N 3.05Å; E637-V708 HydrophobicContact CB-CG2 3.77Å; R638-V708 HydrophobicContact CB-CG2 4.09Å; A641-V708 HydrophobicContact CB-CG1 4.11Å; V708-Q710 VanDerWaalsContact C-N 3.27Å; V708-Q710 PolarHBondContact O-N 2.75Å; V708-I711 PolarHBondContact O-N 3.39Å; V708-I711 VanDerWaalsContact O-N 3.1Å; V708-V712 HydrophobicContact CG1-CG2 4.24Å; V708-V712 WeakPolarHBondContact O-CG2 3.43Å; V708-V712 PolarHBondContact O-N 3.42Å
709S96.8Very high93.8Very high79 Ų7960 Ų6055%0.55233%0.327SS*.Hα-helixtrans-58.1-36.6177580000113.3F707 A713F707-S709 PolarHBondContact O-N 2.95Å; S709-A713 WeakPolarHBondContact O-CB 3.25Å; S709-A713 PolarHBondContact O-N 3.34Å
710Q96.8Very high93.8Very high92 Ų9255.7 Ų55.743%0.4331%0.312SS..Hα-helixtrans-72.7-35.4177.4-62.1174.2-53.600111.7W687 V706 F707 V708 A714W687-Q710 HydrophobicContact CH2-CB 4.46Å; W687-Q710 HydrophobicContact CZ2-CB 4.29Å; V706-Q710 HydrophobicContact CG2-CB 4.18Å; F707-Q710 HydrophobicContact CB-CG 4.3Å; F707-Q710 WeakPolarHBondContact O-CB 3.41Å; F707-Q710 PolarHBondContact O-N 3.36Å; V708-Q710 VanDerWaalsContact C-N 3.27Å; V708-Q710 PolarHBondContact O-N 2.75Å; Q710-A714 WeakPolarHBondContact O-CB 3.33Å; Q710-A714 PolarHBondContact O-N 2.85Å
711I96.8Very high93.9Very high0 Ų054.5 Ų54.50%030%0.301CS..Hα-helixtrans-69-42.6176.4-58.1167.3000110.2R638 A641 F642 L645 W687 V706 F707 V708 A714 R715R638-I711 HydrophobicContact CG-CD1 3.46Å; R638-I711 VanDerWaalsContact CG-CD1 3.46Å; A641-I711 HydrophobicContact CB-CB 4.08Å; A641-I711 HydrophobicContact CB-CD1 4.16Å; A641-I711 HydrophobicContact CB-CG2 3.82Å; A641-I711 VanDerWaalsContact O-CG2 3.31Å; A641-I711 WeakPolarHBondContact O-CG2 3.25Å; F642-I711 HydrophobicContact CD1-CD1 4.08Å; F642-I711 HydrophobicContact CD1-CG1 4.33Å; F642-I711 HydrophobicContact CD1-CG2 4.06Å; F642-I711 HydrophobicContact CD2-CD1 3.71Å; F642-I711 HydrophobicContact CE1-CD1 3.9Å; F642-I711 HydrophobicContact CE1-CG1 3.98Å; F642-I711 HydrophobicContact CE1-CG2 4.42Å; F642-I711 HydrophobicContact CE2-CD1 3.51Å; F642-I711 HydrophobicContact CE2-CG1 4.41Å; F642-I711 HydrophobicContact CG-CD1 3.99Å; F642-I711 HydrophobicContact CG-CG2 4.46Å; F642-I711 HydrophobicContact CZ-CD1 3.62Å; F642-I711 HydrophobicContact CZ-CG1 4.02Å; L645-I711 HydrophobicContact CB-CG2 4.02Å; L645-I711 HydrophobicContact CD2-CG2 3.95Å; W687-I711 HydrophobicContact CH2-CG1 3.99Å; W687-I711 HydrophobicContact CZ3-CG1 4.32Å; V706-I711 HydrophobicContact CG1-CD1 4.47Å; V706-I711 HydrophobicContact CG2-CD1 4.41Å; V706-I711 HydrophobicContact CG2-CG1 3.91Å; F707-I711 PolarHBondContact O-N 3.1Å; V708-I711 PolarHBondContact O-N 3.39Å; V708-I711 VanDerWaalsContact O-N 3.1Å; I711-A714 PolarHBondContact O-N 2.82Å; I711-R715 WeakPolarHBondContact O-CB 3.2Å; I711-R715 PolarHBondContact O-N 3.29Å
712V96Very high94Very high57 Ų5755.9 Ų55.935%0.34531%0.308SS..Hα-helixtrans-61-47.3174.6173.60000110.5V708 A714 R715 E716V708-V712 HydrophobicContact CG1-CG2 4.24Å; V708-V712 WeakPolarHBondContact O-CG2 3.43Å; V708-V712 PolarHBondContact O-N 3.42Å; V712-A714 VanDerWaalsContact C-N 3.3Å; V712-A714 PolarHBondContact O-N 3.03Å; V712-R715 WeakPolarHBondContact O-CB 3.46Å; V712-R715 PolarHBondContact O-N 3.37Å; V712-R715 VanDerWaalsContact O-N 3.1Å; V712-E716 WeakPolarHBondContact O-CG 3.47Å; V712-E716 PolarHBondContact O-N 2.88Å
713A95.5Very high94.1Very high48 Ų4855.8 Ų55.840%0.39731%0.307SS..Hα-helixtrans-62.1-35.6175.700000112.8S709 R715 E716S709-A713 WeakPolarHBondContact O-CB 3.25Å; S709-A713 PolarHBondContact O-N 3.34Å; A713-R715 VanDerWaalsContact C-N 3.34Å; A713-E716 PolarHBondContact O-N 2.86Å
714A94.3Very high94.3Very high3 Ų353.7 Ų53.73%0.02529%0.29CS..Hα-helixtrans-67.2-36.5174.400000112.1L645 K684 W687 Q710 I711 V712L645-A714 HydrophobicContact CD2-CB 4.16Å; K684-A714 HydrophobicContact CD-CB 4.45Å; W687-A714 HydrophobicContact CD2-CB 4.42Å; W687-A714 HydrophobicContact CE3-CB 3.97Å; W687-A714 HydrophobicContact CH2-CB 4.11Å; W687-A714 HydrophobicContact CZ3-CB 3.8Å; Q710-A714 WeakPolarHBondContact O-CB 3.33Å; Q710-A714 PolarHBondContact O-N 2.85Å; I711-A714 PolarHBondContact O-N 2.82Å; V712-A714 VanDerWaalsContact C-N 3.3Å; V712-A714 PolarHBondContact O-N 3.03Å
715R94.3Very high94.4Very high103 Ų10356.6 Ų56.639%0.38931%0.305SS..Hα-helixtrans-67.7-39.8175.1179.4-170.1143.2-157.2-10.3111.9D644 L645 S648 I711 V712 A713 V717 M718D644-R715 IonicContact OD2-NH1 2.8Å; L645-R715 HydrophobicContact CB-CB 4.32Å; L645-R715 HydrophobicContact CD1-CB 3.99Å; S648-R715 WeakPolarHBondContact OG-CG 3.35Å; I711-R715 WeakPolarHBondContact O-CB 3.2Å; I711-R715 PolarHBondContact O-N 3.29Å; V712-R715 WeakPolarHBondContact O-CB 3.46Å; V712-R715 PolarHBondContact O-N 3.37Å; V712-R715 VanDerWaalsContact O-N 3.1Å; A713-R715 VanDerWaalsContact C-N 3.34Å; R715-V717 PolarHBondContact O-N 3.09Å; R715-M718 WeakPolarHBondContact O-CA 3.42Å; R715-M718 WeakPolarHBondContact O-CB 3.38Å; R715-M718 PolarHBondContact O-N 3.06Å
716E93.4Very high94.5Very high153 Ų15358.7 Ų58.772%0.71531%0.313SS*.Hα-helixtrans-62.6-21.7-180-74.1176.2169.800114V712 A713 M718V712-E716 WeakPolarHBondContact O-CG 3.47Å; V712-E716 PolarHBondContact O-N 2.88Å; A713-E716 PolarHBondContact O-N 2.86Å; E716-M718 VanDerWaalsContact C-N 3.33Å
717V89Confident94.4Very high88 Ų8863.6 Ų63.653%0.53334%0.339SS..THydrogen-bonded Turntrans-75.2-25.3173.3177.60000111.9R715R715-V717 PolarHBondContact O-N 3.09Å
718M86.9Confident94.2Very high61 Ų6164 Ų6430%0.335%0.346SS..  trans-92.90-179.9-62.1-54.6-46.300111.1L645 L649 A652 I681 K684 R715 E716L645-M718 HydrophobicContact CD1-CG 4.35Å; L649-M718 HydrophobicContact CD2-CE 3.95Å; L649-M718 HydrophobicContact CD2-CG 4.13Å; L649-M718 HydrophobicContact CD2-SD 3.87Å; L649-M718 HydrophobicContact CG-CG 4.41Å; A652-M718 HydrophobicContact CB-CE 3.18Å; I681-M718 HydrophobicContact CG1-CE 3.75Å; K684-M718 HydrophobicContact CB-CG 4.31Å; K684-M718 HydrophobicContact CB-SD 3.76Å; K684-M718 HydrophobicContact CG-CG 4.25Å; K684-M718 HydrophobicContact CG-SD 3.66Å; R715-M718 WeakPolarHBondContact O-CA 3.42Å; R715-M718 WeakPolarHBondContact O-CB 3.38Å; R715-M718 PolarHBondContact O-N 3.06Å; E716-M718 VanDerWaalsContact C-N 3.33Å

Retrieved 718 of 718 residues in 933.2 ms (Link to these results)

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