A0A087XUF6_POEFO Loading...

Calcyphosine-like b

AlphaFold DB , UniProt , Accession A0A087XUF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 163 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
1R67.3Low82.7Confident264 Ų26497.5 Ų97.5100%0.99645%0.452SS*.  0-51.50-75.3-173.8-178.3-144.41.8109.9F3 R4 V5R1-F3 PolarHBondContact O-N 3.08Å; R1-R4 PolarHBondContact O-N 3.37Å; R1-V5 WeakPolarHBondContact O-CG2 3.21Å; R1-V5 PolarHBondContact O-N 2.92Å
2T78.2Confident82.9Confident53 Ų53106.3 Ų106.333%0.32548%0.477SS..Hα-helixtrans-46.6-54.3173.1-49.30000114.5R4 V5 M6 Y26 F55T2-R4 PolarHBondContact O-N 3.49Å; T2-V5 WeakPolarHBondContact O-CB 3.33Å; T2-V5 PolarHBondContact O-N 2.86Å; T2-M6 HydrophobicContact CG2-CE 3.71Å; T2-M6 HydrophobicContact CG2-SD 4.21Å; T2-M6 PolarHBondContact O-N 2.75Å; T2-Y26 HydrophobicContact CG2-CE1 4.4Å; T2-Y26 HydrophobicContact CG2-CE2 3.79Å; T2-Y26 WeakPolarHBondContact CG2-OH 3.15Å; T2-Y26 PolarHBondContact OG1-OH 3.18Å; T2-F55 HydrophobicContact CG2-CZ 4.18Å
3F80.1Confident83.4Confident9 Ų999.5 Ų99.54%0.03945%0.451CS..Hα-helixtrans-54.4-47.2-179.4-172.3-89.4000113.3R1 V5 M6 D7 L14 F52 F55R1-F3 PolarHBondContact O-N 3.08Å; F3-V5 PolarHBondContact O-N 2.98Å; F3-M6 PolarHBondContact O-N 3.37Å; F3-D7 HydrophobicContact CE1-CB 4.42Å; F3-D7 WeakPolarHBondContact O-CB 3.49Å; F3-D7 PolarHBondContact O-N 3.26Å; F3-L14 HydrophobicContact CD2-CD1 3.73Å; F3-L14 HydrophobicContact CD2-CG 4.08Å; F3-L14 HydrophobicContact CE2-CD1 3.68Å; F3-L14 HydrophobicContact CE2-CD2 4.44Å; F3-L14 HydrophobicContact CE2-CG 3.63Å; F3-L14 HydrophobicContact CZ-CD1 4.48Å; F3-L14 HydrophobicContact CZ-CG 3.96Å; F3-F52 HydrophobicContact CB-CD2 4.1Å; F3-F52 HydrophobicContact CB-CE2 4.12Å; F3-F52 AromaticContact CD1-CD2 3.67Å; F3-F52 HydrophobicContact CD1-CD2 3.67Å; F3-F52 HydrophobicContact CD1-CE2 4.38Å; F3-F52 HydrophobicContact CD2-CD2 4.05Å; F3-F52 HydrophobicContact CE1-CB 4.19Å; F3-F52 HydrophobicContact CE1-CD2 4.03Å; F3-F52 HydrophobicContact CE2-CB 4.43Å; F3-F52 HydrophobicContact CE2-CD2 4.36Å; F3-F52 AromaticContact CG-CD2 3.67Å; F3-F52 HydrophobicContact CG-CD2 3.67Å; F3-F52 HydrophobicContact CG-CE2 4.2Å; F3-F52 HydrophobicContact CZ-CB 4.04Å; F3-F52 HydrophobicContact CZ-CD2 4.34Å; F3-F55 HydrophobicContact CB-CD1 4.07Å; F3-F55 HydrophobicContact CB-CE1 3.96Å; F3-F55 HydrophobicContact CD2-CB 3.71Å; F3-F55 AromaticContact CD2-CD1 3.56Å; F3-F55 HydrophobicContact CD2-CD1 3.56Å; F3-F55 HydrophobicContact CD2-CD2 4.02Å; F3-F55 HydrophobicContact CD2-CE1 4.07Å; F3-F55 AromaticContact CD2-CG 3.5Å; F3-F55 HydrophobicContact CD2-CG 3.5Å; F3-F55 HydrophobicContact CE2-CB 3.77Å; F3-F55 HydrophobicContact CE2-CD1 4.47Å; F3-F55 HydrophobicContact CE2-CD2 4.48Å; F3-F55 HydrophobicContact CE2-CG 4.03Å; F3-F55 HydrophobicContact CG-CD1 4.27Å
4R81.4Confident83.9Confident212 Ų21292.4 Ų92.480%0.842%0.419SS*.Hα-helixtrans-66.6-19.5177.8-68.5-172.9-173.6176.1-0.6114.5R1 T2R1-R4 PolarHBondContact O-N 3.37Å; T2-R4 PolarHBondContact O-N 3.49Å
5V82.9Confident84.4Confident88 Ų8889.9 Ų89.953%0.53341%0.41SS..Hα-helixtrans-82-27.2175.2173.10000110.3R1 T2 F3R1-V5 WeakPolarHBondContact O-CG2 3.21Å; R1-V5 PolarHBondContact O-N 2.92Å; T2-V5 WeakPolarHBondContact O-CB 3.33Å; T2-V5 PolarHBondContact O-N 2.86Å; F3-V5 PolarHBondContact O-N 2.98Å
6M84.1Confident84.7Confident15 Ų1587.6 Ų87.67%0.07440%0.399CS..Hα-helixtrans-85.4-31.1177.7-61.2178.7168.800112.5T2 F3 D8 L14 Y26 F55T2-M6 HydrophobicContact CG2-CE 3.71Å; T2-M6 HydrophobicContact CG2-SD 4.21Å; T2-M6 PolarHBondContact O-N 2.75Å; F3-M6 PolarHBondContact O-N 3.37Å; M6-D8 PolarHBondContact O-N 3.33Å; M6-D8 VanDerWaalsContact O-N 3.11Å; M6-L14 VanDerWaalsContact C-CD2 3.48Å; M6-L14 HydrophobicContact CB-CD1 4.11Å; M6-L14 HydrophobicContact CB-CD2 3.65Å; M6-L14 HydrophobicContact SD-CD1 4.29Å; M6-Y26 HydrophobicContact CE-CD2 3.45Å; M6-Y26 VanDerWaalsContact CE-CD2 3.45Å; M6-Y26 HydrophobicContact CE-CE2 3.62Å; M6-Y26 HydrophobicContact CE-CG 4.36Å; M6-F55 HydrophobicContact SD-CE2 4.25Å; M6-F55 HydrophobicContact SD-CZ 4.23Å
7D87.1Confident85Confident13 Ų1392.2 Ų92.27%0.0742%0.418CS..  trans-76.686.6177.91808000110.6F3 N9 E10 N11 R12 L14F3-D7 HydrophobicContact CE1-CB 4.42Å; F3-D7 WeakPolarHBondContact O-CB 3.49Å; F3-D7 PolarHBondContact O-N 3.26Å; D7-N9 PolarHBondContact OD1-OD1 3.22Å; D7-E10 VanDerWaalsContact OD1-CA 3.25Å; D7-E10 WeakPolarHBondContact OD1-CA 3.15Å; D7-E10 PolarHBondContact OD1-N 2.93Å; D7-E10 WeakPolarHBondContact OD2-CA 3.37Å; D7-N11 PolarHBondContact OD1-N 3.5Å; D7-N11 VanDerWaalsContact OD1-N 3.13Å; D7-R12 VanDerWaalsContact OD2-CA 3.26Å; D7-R12 WeakPolarHBondContact OD2-CA 3.47Å; D7-R12 PolarHBondContact OD2-N 3.46Å; D7-L14 HydrophobicContact CB-CD2 3.77Å; D7-L14 VanDerWaalsContact N-CD2 3.34Å
8D85.7Confident85.3Confident91 Ų9187.7 Ų87.749%0.48740%0.398SS..SBendtrans-70.5-33.2-175-85.3-16.9000112.3M6 E18 K21M6-D8 PolarHBondContact O-N 3.33Å; M6-D8 VanDerWaalsContact O-N 3.11Å; D8-E18 HydrophobicContact CB-CG 4.43Å; D8-E18 PolarHBondContact N-OE1 3.15Å; D8-K21 IonicContact OD1-NZ 3.68Å; D8-K21 PolarHBondContact OD1-NZ 2.93Å; D8-K21 WeakPolarHBondContact OD2-CD 3.48Å; D8-K21 IonicContact OD2-NZ 3.67Å; D8-K21 PolarHBondContact OD2-NZ 2.99Å
9N87.8Confident85.5Confident81 Ų8183.2 Ų83.243%0.43338%0.377SS..SBendtrans-94.6-0.8-17668.835.9000113.5D7 N11 E18D7-N9 PolarHBondContact OD1-OD1 3.22Å; N9-N11 PolarHBondContact ND2-ND2 3.47Å; N9-N11 PolarHBondContact O-N 3.43Å; N9-N11 WeakPolarHBondContact OD1-CB 3.5Å; N9-N11 PolarHBondContact OD1-N 3.01Å; N9-N11 PolarHBondContact OD1-ND2 3.23Å; N9-N11 VanDerWaalsContact OD1-ND2 3.12Å; N9-N11 PolarHBondContact OD1-OD1 2.65Å; N9-E18 PolarHBondContact N-OE1 2.87Å; N9-E18 PolarHBondContact ND2-OE1 2.69Å; N9-E18 PolarHBondContact ND2-OE2 2.83Å
10E86Confident85.6Confident165 Ų16581.3 Ų81.377%0.77137%0.37SS*.  trans56.826.6-179.1-57.6-171.5174.200114.5D7 R12D7-E10 VanDerWaalsContact OD1-CA 3.25Å; D7-E10 WeakPolarHBondContact OD1-CA 3.15Å; D7-E10 PolarHBondContact OD1-N 2.93Å; D7-E10 WeakPolarHBondContact OD2-CA 3.37Å; E10-R12 PolarHBondContact O-N 2.98Å
11N88.8Confident85.7Confident82 Ų8281.5 Ų81.544%0.43937%0.37SS..SBendtrans-81.5-1.1-179.475.89.9000113D7 N9 S13D7-N11 PolarHBondContact OD1-N 3.5Å; D7-N11 VanDerWaalsContact OD1-N 3.13Å; N9-N11 PolarHBondContact ND2-ND2 3.47Å; N9-N11 PolarHBondContact O-N 3.43Å; N9-N11 WeakPolarHBondContact OD1-CB 3.5Å; N9-N11 PolarHBondContact OD1-N 3.01Å; N9-N11 PolarHBondContact OD1-ND2 3.23Å; N9-N11 VanDerWaalsContact OD1-ND2 3.12Å; N9-N11 PolarHBondContact OD1-OD1 2.65Å; N11-S13 VanDerWaalsContact C-N 3.27Å; N11-S13 PolarHBondContact ND2-OG 3.2Å; N11-S13 PolarHBondContact O-N 2.68Å; N11-S13 WeakPolarHBondContact OD1-CA 3.25Å; N11-S13 WeakPolarHBondContact OD1-CB 3.47Å; N11-S13 PolarHBondContact OD1-N 3.04Å; N11-S13 PolarHBondContact OD1-O 3.21Å; N11-S13 PolarHBondContact OD1-OG 3.46Å
12R85.6Confident86.6Confident202 Ų20269 Ų6976%0.76232%0.324SS*.SBendtrans66.422.7-177.4-53.4-178.5177.1-178.11115D7 E10D7-R12 VanDerWaalsContact OD2-CA 3.26Å; D7-R12 WeakPolarHBondContact OD2-CA 3.47Å; D7-R12 PolarHBondContact OD2-N 3.46Å; E10-R12 PolarHBondContact O-N 2.98Å
13S89.5Confident87Confident19 Ų1967.3 Ų67.313%0.13331%0.312CS..EExtended strand (participates in β ladder)trans-136.3160.3170.967.60000108.5N11 I50N11-S13 VanDerWaalsContact C-N 3.27Å; N11-S13 PolarHBondContact ND2-OG 3.2Å; N11-S13 PolarHBondContact O-N 2.68Å; N11-S13 WeakPolarHBondContact OD1-CA 3.25Å; N11-S13 WeakPolarHBondContact OD1-CB 3.47Å; N11-S13 PolarHBondContact OD1-N 3.04Å; N11-S13 PolarHBondContact OD1-O 3.21Å; N11-S13 PolarHBondContact OD1-OG 3.46Å; S13-I50 CarbonylContact C-O 3.47Å; S13-I50 WeakPolarHBondContact CA-O 3.29Å
14L89.6Confident87.2Confident0 Ų070.3 Ų70.30%034%0.335CS..EExtended strand (participates in β ladder)trans-113.4112.9174.2-59.6175.6000108.4F3 M6 D7 E18 S49 I50 F55F3-L14 HydrophobicContact CD2-CD1 3.73Å; F3-L14 HydrophobicContact CD2-CG 4.08Å; F3-L14 HydrophobicContact CE2-CD1 3.68Å; F3-L14 HydrophobicContact CE2-CD2 4.44Å; F3-L14 HydrophobicContact CE2-CG 3.63Å; F3-L14 HydrophobicContact CZ-CD1 4.48Å; F3-L14 HydrophobicContact CZ-CG 3.96Å; M6-L14 VanDerWaalsContact C-CD2 3.48Å; M6-L14 HydrophobicContact CB-CD1 4.11Å; M6-L14 HydrophobicContact CB-CD2 3.65Å; M6-L14 HydrophobicContact SD-CD1 4.29Å; D7-L14 HydrophobicContact CB-CD2 3.77Å; D7-L14 VanDerWaalsContact N-CD2 3.34Å; L14-E18 HydrophobicContact CD2-CB 4.29Å; L14-S49 CarbonylContact O-C 3.58Å; L14-S49 WeakPolarHBondContact O-CA 3.48Å; L14-I50 HydrophobicContact CB-CB 4.32Å; L14-I50 PolarHBondContact N-O 2.96Å; L14-I50 PolarHBondContact O-N 3.07Å; L14-F55 HydrophobicContact CD1-CD2 4.09Å; L14-F55 HydrophobicContact CD1-CE2 4.17Å
15D91.6Very high87.3Confident54 Ų5465.2 Ų65.229%0.28932%0.324SS..EExtended strand (participates in β ladder)trans-70.2167.9167.678.834000110.9K17 E18 F19D15-K17 PolarHBondContact O-N 3.02Å; D15-K17 VanDerWaalsContact O-N 3.14Å; D15-K17 VanDerWaalsContact OD1-CA 3.31Å; D15-K17 WeakPolarHBondContact OD1-CA 3.44Å; D15-K17 VanDerWaalsContact OD1-CB 3.25Å; D15-K17 WeakPolarHBondContact OD1-CB 3.42Å; D15-K17 PolarHBondContact OD1-N 3.03Å; D15-E18 PolarHBondContact N-OE2 2.73Å; D15-E18 PolarHBondContact O-N 2.91Å; D15-E18 PolarHBondContact OD1-N 3.21Å; D15-F19 WeakPolarHBondContact O-CB 3.29Å; D15-F19 PolarHBondContact O-N 3.23Å
16F89.8Confident87Confident54 Ų5466.8 Ų66.824%0.23732%0.321CS..Hα-helixtrans-58.2-30.9-177.7-176.2-115.3000113.6L20 K32 F39F16-L20 HydrophobicContact CD1-CD1 3.83Å; F16-L20 HydrophobicContact CE1-CD1 3.33Å; F16-L20 HydrophobicContact CE1-CG 4.19Å; F16-L20 HydrophobicContact CE2-CD1 4.22Å; F16-L20 HydrophobicContact CE2-CG 4.21Å; F16-L20 HydrophobicContact CG-CD1 4.49Å; F16-L20 HydrophobicContact CZ-CD1 3.55Å; F16-L20 HydrophobicContact CZ-CD2 4.48Å; F16-L20 HydrophobicContact CZ-CG 3.98Å; F16-L20 WeakPolarHBondContact O-CB 3.43Å; F16-L20 WeakPolarHBondContact O-CG 3.39Å; F16-L20 PolarHBondContact O-N 3.07Å; F16-K32 HydrophobicContact CZ-CG 4.5Å; F16-F39 HydrophobicContact CB-CD2 4.31Å; F16-F39 HydrophobicContact CB-CE1 4.48Å; F16-F39 HydrophobicContact CB-CE2 4.06Å; F16-F39 HydrophobicContact CB-CZ 4.14Å; F16-F39 HydrophobicContact CD2-CB 3.75Å; F16-F39 HydrophobicContact CD2-CD1 4.12Å; F16-F39 AromaticContact CD2-CD2 3.72Å; F16-F39 HydrophobicContact CD2-CD2 3.72Å; F16-F39 HydrophobicContact CD2-CE2 4.32Å; F16-F39 AromaticContact CD2-CG 3.59Å; F16-F39 HydrophobicContact CD2-CG 3.59Å; F16-F39 HydrophobicContact CE2-CB 3.94Å; F16-F39 HydrophobicContact CE2-CG 4.28Å
17K90.1Very high86.7Confident165 Ų16568.9 Ų68.972%0.71735%0.347SS*.Hα-helixtrans-75.2-44178.8-61.2175.5-178.5169.60110.7D15 F19 L20 K21D15-K17 PolarHBondContact O-N 3.02Å; D15-K17 VanDerWaalsContact O-N 3.14Å; D15-K17 VanDerWaalsContact OD1-CA 3.31Å; D15-K17 WeakPolarHBondContact OD1-CA 3.44Å; D15-K17 VanDerWaalsContact OD1-CB 3.25Å; D15-K17 WeakPolarHBondContact OD1-CB 3.42Å; D15-K17 PolarHBondContact OD1-N 3.03Å; K17-F19 VanDerWaalsContact C-N 3.32Å; K17-L20 PolarHBondContact O-N 3.03Å; K17-K21 VanDerWaalsContact O-CB 3.31Å; K17-K21 WeakPolarHBondContact O-CB 3.34Å; K17-K21 PolarHBondContact O-N 2.97Å
18E90.4Very high86.3Confident11 Ų1172.6 Ų72.65%0.05137%0.366CS..Hα-helixtrans-61.3-42.6175.6-71.9173.814600110.9D8 N9 L14 D15 K21 G22D8-E18 HydrophobicContact CB-CG 4.43Å; D8-E18 PolarHBondContact N-OE1 3.15Å; N9-E18 PolarHBondContact N-OE1 2.87Å; N9-E18 PolarHBondContact ND2-OE1 2.69Å; N9-E18 PolarHBondContact ND2-OE2 2.83Å; L14-E18 HydrophobicContact CD2-CB 4.29Å; D15-E18 PolarHBondContact N-OE2 2.73Å; D15-E18 PolarHBondContact O-N 2.91Å; D15-E18 PolarHBondContact OD1-N 3.21Å; E18-K21 PolarHBondContact O-N 3.21Å; E18-G22 PolarHBondContact O-N 3.39Å
19F88.6Confident85.9Confident3 Ų376.6 Ų76.61%0.01339%0.386CS..Hα-helixtrans-61.2-49.6174.4-177.1-107.6000112.6D15 K17 K21 G22 L23 M38 F39 F42 I50D15-F19 WeakPolarHBondContact O-CB 3.29Å; D15-F19 PolarHBondContact O-N 3.23Å; K17-F19 VanDerWaalsContact C-N 3.32Å; F19-K21 PolarHBondContact O-N 3.3Å; F19-G22 PolarHBondContact O-N 2.82Å; F19-L23 HydrophobicContact CD1-CD1 3.94Å; F19-L23 HydrophobicContact CE1-CD1 3.46Å; F19-L23 VanDerWaalsContact CE1-CD1 3.46Å; F19-L23 HydrophobicContact CE1-CG 4.32Å; F19-L23 HydrophobicContact CE2-CD1 4.47Å; F19-L23 HydrophobicContact CZ-CD1 3.76Å; F19-L23 HydrophobicContact CZ-CD2 4.45Å; F19-L23 HydrophobicContact CZ-CG 4.29Å; F19-L23 WeakPolarHBondContact O-CG 3.45Å; F19-L23 PolarHBondContact O-N 3.24Å; F19-M38 HydrophobicContact CE1-CB 4.32Å; F19-M38 HydrophobicContact CE1-CG 4.28Å; F19-M38 HydrophobicContact CE1-SD 4.41Å; F19-M38 HydrophobicContact CZ-CB 4.35Å; F19-M38 HydrophobicContact CZ-CG 3.81Å; F19-M38 HydrophobicContact CZ-SD 3.79Å; F19-F39 HydrophobicContact CB-CD2 3.92Å; F19-F39 HydrophobicContact CB-CE2 4.15Å; F19-F39 HydrophobicContact CD1-CB 4.17Å; F19-F39 AromaticContact CD1-CD2 3.79Å; F19-F39 HydrophobicContact CD1-CD2 3.79Å; F19-F39 HydrophobicContact CD1-CG 4.49Å; F19-F39 HydrophobicContact CE1-CB 4.19Å; F19-F39 HydrophobicContact CE1-CD2 4.46Å; F19-F39 AromaticContact CG-CD2 3.88Å; F19-F39 HydrophobicContact CG-CD2 3.88Å; F19-F42 HydrophobicContact CZ-CD2 4.48Å; F19-F42 HydrophobicContact CZ-CE2 4.46Å; F19-I50 HydrophobicContact CD2-CD1 3.56Å; F19-I50 HydrophobicContact CE2-CD1 3.8Å; F19-I50 HydrophobicContact CG-CD1 3.98Å; F19-I50 HydrophobicContact CZ-CD1 4.4Å
20L88.3Confident85.6Confident45 Ų4575.1 Ų75.124%0.23638%0.378CS..Hα-helixtrans-60.8-44.4177.5-89172.9000112.8F16 K17 G22 L23 S24 A35F16-L20 HydrophobicContact CD1-CD1 3.83Å; F16-L20 HydrophobicContact CE1-CD1 3.33Å; F16-L20 HydrophobicContact CE1-CG 4.19Å; F16-L20 HydrophobicContact CE2-CD1 4.22Å; F16-L20 HydrophobicContact CE2-CG 4.21Å; F16-L20 HydrophobicContact CG-CD1 4.49Å; F16-L20 HydrophobicContact CZ-CD1 3.55Å; F16-L20 HydrophobicContact CZ-CD2 4.48Å; F16-L20 HydrophobicContact CZ-CG 3.98Å; F16-L20 WeakPolarHBondContact O-CB 3.43Å; F16-L20 WeakPolarHBondContact O-CG 3.39Å; F16-L20 PolarHBondContact O-N 3.07Å; K17-L20 PolarHBondContact O-N 3.03Å; L20-G22 VanDerWaalsContact C-N 3.34Å; L20-L23 PolarHBondContact O-N 3.46Å; L20-S24 PolarHBondContact O-N 3.33Å; L20-S24 VanDerWaalsContact O-N 3.09Å; L20-S24 PolarHBondContact O-OG 3.46Å; L20-A35 HydrophobicContact CD2-CB 3.35Å; L20-A35 HydrophobicContact CG-CB 4.31Å
21K87.6Confident85.5Confident86 Ų8674 Ų7437%0.37437%0.372SS..Hα-helixtrans-61.4-47176.5-176.1-168.1171.7-161.50109.9D8 K17 E18 F19 L23 S24 D25D8-K21 IonicContact OD1-NZ 3.68Å; D8-K21 PolarHBondContact OD1-NZ 2.93Å; D8-K21 WeakPolarHBondContact OD2-CD 3.48Å; D8-K21 IonicContact OD2-NZ 3.67Å; D8-K21 PolarHBondContact OD2-NZ 2.99Å; K17-K21 VanDerWaalsContact O-CB 3.31Å; K17-K21 WeakPolarHBondContact O-CB 3.34Å; K17-K21 PolarHBondContact O-N 2.97Å; E18-K21 PolarHBondContact O-N 3.21Å; F19-K21 PolarHBondContact O-N 3.3Å; K21-L23 PolarHBondContact O-N 3.11Å; K21-S24 WeakPolarHBondContact O-CB 3.15Å; K21-S24 PolarHBondContact O-N 3.16Å; K21-S24 VanDerWaalsContact O-N 3.13Å; K21-D25 PolarHBondContact O-N 3.32Å
22G86.4Confident85.2Confident2 Ų277 Ų772%0.02138%0.382CS..Hα-helixtrans-55.1-48.5175.800000113.1E18 F19 L20 S24 D25 Y26E18-G22 PolarHBondContact O-N 3.39Å; F19-G22 PolarHBondContact O-N 2.82Å; L20-G22 VanDerWaalsContact C-N 3.34Å; G22-S24 VanDerWaalsContact C-N 3.3Å; G22-S24 PolarHBondContact O-N 3.3Å; G22-D25 PolarHBondContact O-N 3.49Å; G22-Y26 WeakPolarHBondContact O-CD2 3.45Å; G22-Y26 PolarHBondContact O-N 3.4Å; G22-Y26 VanDerWaalsContact O-N 3.12Å
23L84.6Confident85.3Confident16 Ų1673.5 Ų73.58%0.08438%0.378CS..Hα-helixtrans-60.2-41.6177-69.2173.7000112F19 L20 K21 Y26 G27 L28 I30 A35 M38F19-L23 HydrophobicContact CD1-CD1 3.94Å; F19-L23 HydrophobicContact CE1-CD1 3.46Å; F19-L23 VanDerWaalsContact CE1-CD1 3.46Å; F19-L23 HydrophobicContact CE1-CG 4.32Å; F19-L23 HydrophobicContact CE2-CD1 4.47Å; F19-L23 HydrophobicContact CZ-CD1 3.76Å; F19-L23 HydrophobicContact CZ-CD2 4.45Å; F19-L23 HydrophobicContact CZ-CG 4.29Å; F19-L23 WeakPolarHBondContact O-CG 3.45Å; F19-L23 PolarHBondContact O-N 3.24Å; L20-L23 PolarHBondContact O-N 3.46Å; K21-L23 PolarHBondContact O-N 3.11Å; L23-Y26 PolarHBondContact O-N 2.81Å; L23-G27 PolarHBondContact O-N 3.08Å; L23-L28 HydrophobicContact CB-CB 4.49Å; L23-L28 HydrophobicContact CD2-CD1 3.79Å; L23-L28 WeakPolarHBondContact O-CB 3.19Å; L23-L28 PolarHBondContact O-N 2.87Å; L23-I30 HydrophobicContact CD1-CD1 4.13Å; L23-I30 HydrophobicContact CD2-CD1 4.36Å; L23-A35 HydrophobicContact CD1-CB 4.5Å; L23-M38 HydrophobicContact CD1-SD 4.47Å
24S84.7Confident85.1Confident73 Ų7378.1 Ų78.151%0.5140%0.397SS..Hα-helixtrans-65.1-43.1178.2-56.80000112.1L20 K21 G22 Y26 G27L20-S24 PolarHBondContact O-N 3.33Å; L20-S24 VanDerWaalsContact O-N 3.09Å; L20-S24 PolarHBondContact O-OG 3.46Å; K21-S24 WeakPolarHBondContact O-CB 3.15Å; K21-S24 PolarHBondContact O-N 3.16Å; K21-S24 VanDerWaalsContact O-N 3.13Å; G22-S24 VanDerWaalsContact C-N 3.3Å; G22-S24 PolarHBondContact O-N 3.3Å; S24-Y26 VanDerWaalsContact C-N 3.25Å; S24-Y26 PolarHBondContact O-N 3.15Å; S24-G27 PolarHBondContact O-N 3.46Å
25D83.4Confident84.9Confident105 Ų10578.1 Ų78.156%0.56140%0.397SS*.Hα-helixtrans-65.3-29.7179-72.8-14.3000112.1K21 G22 G27K21-D25 PolarHBondContact O-N 3.32Å; G22-D25 PolarHBondContact O-N 3.49Å; D25-G27 PolarHBondContact O-N 3.41Å
26Y78.1Confident84.7Confident120 Ų12077.5 Ų77.547%0.47140%0.397SS..THydrogen-bonded Turntrans-83.45172.7-84.9-89.9000113.9T2 M6 G22 L23 S24 L28T2-Y26 HydrophobicContact CG2-CE1 4.4Å; T2-Y26 HydrophobicContact CG2-CE2 3.79Å; T2-Y26 WeakPolarHBondContact CG2-OH 3.15Å; T2-Y26 PolarHBondContact OG1-OH 3.18Å; M6-Y26 HydrophobicContact CE-CD2 3.45Å; M6-Y26 VanDerWaalsContact CE-CD2 3.45Å; M6-Y26 HydrophobicContact CE-CE2 3.62Å; M6-Y26 HydrophobicContact CE-CG 4.36Å; G22-Y26 WeakPolarHBondContact O-CD2 3.45Å; G22-Y26 PolarHBondContact O-N 3.4Å; G22-Y26 VanDerWaalsContact O-N 3.12Å; L23-Y26 PolarHBondContact O-N 2.81Å; S24-Y26 VanDerWaalsContact C-N 3.25Å; S24-Y26 PolarHBondContact O-N 3.15Å; Y26-L28 VanDerWaalsContact C-N 3.33Å
27G77.3Confident84.6Confident60 Ų6077.7 Ų77.762%0.61941%0.409SS*.THydrogen-bonded Turntrans77.315.3175.400000114.5L23 S24 D25 L29L23-G27 PolarHBondContact O-N 3.08Å; S24-G27 PolarHBondContact O-N 3.46Å; D25-G27 PolarHBondContact O-N 3.41Å; G27-L29 PolarHBondContact O-N 3.28Å
28L78.1Confident84.4Confident90 Ų9073.3 Ų73.347%0.47139%0.392SS..  trans-86.2103.9174-62.6173.6000108.9L23 Y26 I30L23-L28 HydrophobicContact CB-CB 4.49Å; L23-L28 HydrophobicContact CD2-CD1 3.79Å; L23-L28 WeakPolarHBondContact O-CB 3.19Å; L23-L28 PolarHBondContact O-N 2.87Å; Y26-L28 VanDerWaalsContact C-N 3.33Å; L28-I30 HydrophobicContact CB-CD1 3.94Å; L28-I30 HydrophobicContact CB-CG1 4.16Å; L28-I30 HydrophobicContact CD1-CD1 4.44Å; L28-I30 PolarHBondContact O-N 3.37Å
29L76.8Confident84.3Confident176 Ų17673.5 Ų73.592%0.92139%0.393SS*.  trans-80.295.7171-66171.5000108.5G27G27-L29 PolarHBondContact O-N 3.28Å
30I81.4Confident84.3Confident49 Ų4979.8 Ų79.825%0.25142%0.422SS..  trans-116138180-63.9173.2000107.9L23 L28 E34 A35 M38L23-I30 HydrophobicContact CD1-CD1 4.13Å; L23-I30 HydrophobicContact CD2-CD1 4.36Å; L28-I30 HydrophobicContact CB-CD1 3.94Å; L28-I30 HydrophobicContact CB-CG1 4.16Å; L28-I30 HydrophobicContact CD1-CD1 4.44Å; L28-I30 PolarHBondContact O-N 3.37Å; I30-E34 HydrophobicContact CG2-CB 3.42Å; I30-E34 VanDerWaalsContact CG2-CB 3.42Å; I30-A35 HydrophobicContact CG2-CB 4.09Å; I30-M38 HydrophobicContact CD1-CE 4.46Å
31E85.8Confident84.1Confident141 Ų14183.5 Ų83.566%0.65944%0.438SS*.  trans-69.1153.2176.4-67.3-164.7165.700111D33 E34 A35E31-D33 PolarHBondContact O-N 2.92Å; E31-D33 VanDerWaalsContact O-N 3.14Å; E31-E34 HydrophobicContact CB-CG 4.47Å; E31-E34 PolarHBondContact N-OE2 2.95Å; E31-E34 PolarHBondContact O-N 3.48Å; E31-E34 VanDerWaalsContact O-N 3.09Å; E31-A35 PolarHBondContact O-N 3.24Å
32K82.3Confident83.9Confident146 Ų14680.1 Ų80.164%0.63542%0.424SS*.Hα-helixtrans-56.9-35.6-176-172.7179.4176.6-173.80112.6F16 S36F16-K32 HydrophobicContact CZ-CG 4.5Å; K32-S36 WeakPolarHBondContact O-CB 3.47Å; K32-S36 PolarHBondContact O-N 2.73Å
33D86.4Confident84Confident128 Ų12881 Ų8168%0.68443%0.428SS*.Hα-helixtrans-71.3-40.6179.9-65.8-17.6000111.6E31 S36 A37E31-D33 PolarHBondContact O-N 2.92Å; E31-D33 VanDerWaalsContact O-N 3.14Å; D33-S36 PolarHBondContact O-N 3.32Å; D33-A37 PolarHBondContact O-N 3.06Å
34E85.8Confident84Confident116 Ų11685.3 Ų85.354%0.54244%0.443SS..Hα-helixtrans-65.8-40.5173.8-68.2-176.1138.900111.6I30 E31 S36 A37 M38I30-E34 HydrophobicContact CG2-CB 3.42Å; I30-E34 VanDerWaalsContact CG2-CB 3.42Å; E31-E34 HydrophobicContact CB-CG 4.47Å; E31-E34 PolarHBondContact N-OE2 2.95Å; E31-E34 PolarHBondContact O-N 3.48Å; E31-E34 VanDerWaalsContact O-N 3.09Å; E34-S36 VanDerWaalsContact C-N 3.32Å; E34-S36 PolarHBondContact O-N 3.48Å; E34-A37 PolarHBondContact O-N 2.92Å; E34-M38 WeakPolarHBondContact O-CB 3.45Å; E34-M38 PolarHBondContact O-N 2.91Å
35A86.4Confident84Confident0 Ų085.7 Ų85.70%044%0.439CS..Hα-helixtrans-65.6-36.5175.100000111.7L20 L23 I30 E31 M38 F39L20-A35 HydrophobicContact CD2-CB 3.35Å; L20-A35 HydrophobicContact CG-CB 4.31Å; L23-A35 HydrophobicContact CD1-CB 4.5Å; I30-A35 HydrophobicContact CG2-CB 4.09Å; E31-A35 PolarHBondContact O-N 3.24Å; A35-M38 PolarHBondContact O-N 3.29Å; A35-F39 VanDerWaalsContact O-CB 3.25Å; A35-F39 WeakPolarHBondContact O-CB 3.34Å; A35-F39 PolarHBondContact O-N 2.91Å
36S87.5Confident84.1Confident41 Ų4183.4 Ų83.429%0.28744%0.441SS..Hα-helixtrans-65.7-42.5173.7-170.60000111.9K32 D33 E34 F39 Q40K32-S36 WeakPolarHBondContact O-CB 3.47Å; K32-S36 PolarHBondContact O-N 2.73Å; D33-S36 PolarHBondContact O-N 3.32Å; E34-S36 VanDerWaalsContact C-N 3.32Å; E34-S36 PolarHBondContact O-N 3.48Å; S36-F39 PolarHBondContact O-N 2.75Å; S36-Q40 WeakPolarHBondContact O-CG 3.4Å; S36-Q40 PolarHBondContact O-N 3.09Å
37A87.6Confident84.6Confident59 Ų5980.8 Ų80.849%0.48844%0.44SS..Hα-helixtrans-65.1-41.1175.800000111.5D33 E34 H41D33-A37 PolarHBondContact O-N 3.06Å; E34-A37 PolarHBondContact O-N 2.92Å; A37-H41 WeakPolarHBondContact O-CB 3.33Å; A37-H41 PolarHBondContact O-N 3.35Å
38M85.9Confident85.1Confident73 Ų7380 Ų8036%0.3643%0.432SS..Hα-helixtrans-64.4-44.3174.4-170.5177.2-78.100110.9F19 L23 I30 E34 A35 Q40 H41 F42F19-M38 HydrophobicContact CE1-CB 4.32Å; F19-M38 HydrophobicContact CE1-CG 4.28Å; F19-M38 HydrophobicContact CE1-SD 4.41Å; F19-M38 HydrophobicContact CZ-CB 4.35Å; F19-M38 HydrophobicContact CZ-CG 3.81Å; F19-M38 HydrophobicContact CZ-SD 3.79Å; L23-M38 HydrophobicContact CD1-SD 4.47Å; I30-M38 HydrophobicContact CD1-CE 4.46Å; E34-M38 WeakPolarHBondContact O-CB 3.45Å; E34-M38 PolarHBondContact O-N 2.91Å; A35-M38 PolarHBondContact O-N 3.29Å; M38-Q40 PolarHBondContact O-N 3.05Å; M38-H41 WeakPolarHBondContact O-CA 3.5Å; M38-H41 WeakPolarHBondContact O-CB 3.43Å; M38-H41 PolarHBondContact O-N 2.75Å; M38-F42 HydrophobicContact CG-CD2 3.82Å; M38-F42 HydrophobicContact CG-CE2 3.56Å; M38-F42 VanDerWaalsContact O-CD2 3.23Å; M38-F42 WeakPolarHBondContact O-CD2 3.29Å; M38-F42 PolarHBondContact O-N 2.99Å; M38-F42 HydrophobicContact SD-CE2 4.09Å
39F88.2Confident85.7Confident14 Ų1477.1 Ų77.16%0.06142%0.419CS..Hα-helixtrans-58.3-47.7177.6-173.3-91000111.8F16 F19 A35 S36 H41 F42 D43 G48 I50F16-F39 HydrophobicContact CB-CD2 4.31Å; F16-F39 HydrophobicContact CB-CE1 4.48Å; F16-F39 HydrophobicContact CB-CE2 4.06Å; F16-F39 HydrophobicContact CB-CZ 4.14Å; F16-F39 HydrophobicContact CD2-CB 3.75Å; F16-F39 HydrophobicContact CD2-CD1 4.12Å; F16-F39 AromaticContact CD2-CD2 3.72Å; F16-F39 HydrophobicContact CD2-CD2 3.72Å; F16-F39 HydrophobicContact CD2-CE2 4.32Å; F16-F39 AromaticContact CD2-CG 3.59Å; F16-F39 HydrophobicContact CD2-CG 3.59Å; F16-F39 HydrophobicContact CE2-CB 3.94Å; F16-F39 HydrophobicContact CE2-CG 4.28Å; F19-F39 HydrophobicContact CB-CD2 3.92Å; F19-F39 HydrophobicContact CB-CE2 4.15Å; F19-F39 HydrophobicContact CD1-CB 4.17Å; F19-F39 AromaticContact CD1-CD2 3.79Å; F19-F39 HydrophobicContact CD1-CD2 3.79Å; F19-F39 HydrophobicContact CD1-CG 4.49Å; F19-F39 HydrophobicContact CE1-CB 4.19Å; F19-F39 HydrophobicContact CE1-CD2 4.46Å; F19-F39 AromaticContact CG-CD2 3.88Å; F19-F39 HydrophobicContact CG-CD2 3.88Å; A35-F39 VanDerWaalsContact O-CB 3.25Å; A35-F39 WeakPolarHBondContact O-CB 3.34Å; A35-F39 PolarHBondContact O-N 2.91Å; S36-F39 PolarHBondContact O-N 2.75Å; F39-H41 PolarHBondContact O-N 2.92Å; F39-F42 PolarHBondContact O-N 3.25Å; F39-D43 HydrophobicContact CD1-CB 4.39Å; F39-D43 HydrophobicContact CE1-CB 4.17Å; F39-D43 WeakPolarHBondContact O-CB 3.18Å; F39-D43 PolarHBondContact O-N 2.85Å; F39-G48 WeakPolarHBondContact CZ-O 3.27Å; F39-I50 HydrophobicContact CD2-CD1 3.45Å; F39-I50 VanDerWaalsContact CD2-CD1 3.45Å; F39-I50 HydrophobicContact CD2-CG1 3.94Å; F39-I50 HydrophobicContact CE2-CD1 3.66Å; F39-I50 HydrophobicContact CE2-CG1 3.71Å; F39-I50 HydrophobicContact CG-CD1 4.26Å; F39-I50 HydrophobicContact CZ-CG1 4.2Å
40Q87.6Confident86.3Confident136 Ų13668.8 Ų68.864%0.63638%0.375SS*.Hα-helixtrans-62.3-27.7175.1-72.6176.1200113.4S36 M38S36-Q40 WeakPolarHBondContact O-CG 3.4Å; S36-Q40 PolarHBondContact O-N 3.09Å; M38-Q40 PolarHBondContact O-N 3.05Å
41H84Confident86.7Confident122 Ų12268.4 Ų68.457%0.56537%0.374SS*.Hα-helixtrans-75.9-29.4174.6179.7-78.3000112.3A37 M38 F39A37-H41 WeakPolarHBondContact O-CB 3.33Å; A37-H41 PolarHBondContact O-N 3.35Å; M38-H41 WeakPolarHBondContact O-CA 3.5Å; M38-H41 WeakPolarHBondContact O-CB 3.43Å; M38-H41 PolarHBondContact O-N 2.75Å; F39-H41 PolarHBondContact O-N 2.92Å
42F84.6Confident86.6Confident16 Ų1666.2 Ų66.27%0.0736%0.362CS..Hα-helixtrans-81.2-43.5176.1-85.1-112.6000111.9F19 M38 F39 R44 I50 E54 F55 T58F19-F42 HydrophobicContact CZ-CD2 4.48Å; F19-F42 HydrophobicContact CZ-CE2 4.46Å; M38-F42 HydrophobicContact CG-CD2 3.82Å; M38-F42 HydrophobicContact CG-CE2 3.56Å; M38-F42 VanDerWaalsContact O-CD2 3.23Å; M38-F42 WeakPolarHBondContact O-CD2 3.29Å; M38-F42 PolarHBondContact O-N 2.99Å; M38-F42 HydrophobicContact SD-CE2 4.09Å; F39-F42 PolarHBondContact O-N 3.25Å; F42-R44 PolarHBondContact O-N 2.92Å; F42-I50 HydrophobicContact CB-CB 4.46Å; F42-I50 HydrophobicContact CB-CD1 3.38Å; F42-I50 HydrophobicContact CB-CG1 3.62Å; F42-I50 HydrophobicContact CB-CG2 3.98Å; F42-I50 HydrophobicContact CD1-CD1 4.19Å; F42-I50 HydrophobicContact CD1-CG2 4.02Å; F42-I50 HydrophobicContact CG-CD1 3.96Å; F42-E54 WeakPolarHBondContact O-CB 3.35Å; F42-F55 HydrophobicContact CD1-CD2 4.18Å; F42-F55 AromaticContact CE1-CD2 3.85Å; F42-F55 HydrophobicContact CE1-CD2 3.85Å; F42-F55 HydrophobicContact CE1-CE2 4.3Å; F42-T58 HydrophobicContact CD1-CG2 3.94Å; F42-T58 HydrophobicContact CD2-CG2 3.6Å; F42-T58 VanDerWaalsContact CE1-CB 3.47Å; F42-T58 HydrophobicContact CE1-CG2 3.65Å; F42-T58 HydrophobicContact CE2-CG2 3.29Å; F42-T58 HydrophobicContact CG-CG2 3.94Å; F42-T58 HydrophobicContact CZ-CG2 3.33Å
43D88.6Confident86.6Confident20 Ų2064 Ų6411%0.10736%0.357CS..  trans-74.984.7177.2178.117.5000110.2F39 D45 G46 S47 G48 I50F39-D43 HydrophobicContact CD1-CB 4.39Å; F39-D43 HydrophobicContact CE1-CB 4.17Å; F39-D43 WeakPolarHBondContact O-CB 3.18Å; F39-D43 PolarHBondContact O-N 2.85Å; D43-D45 VanDerWaalsContact OD1-OD1 3.11Å; D43-G46 WeakPolarHBondContact OD1-CA 3.49Å; D43-G46 PolarHBondContact OD1-N 2.8Å; D43-S47 PolarHBondContact OD1-N 3.19Å; D43-S47 PolarHBondContact OD1-OG 3.41Å; D43-G48 VanDerWaalsContact OD2-CA 3.24Å; D43-G48 WeakPolarHBondContact OD2-CA 3.31Å; D43-G48 PolarHBondContact OD2-N 3.11Å; D43-I50 HydrophobicContact CB-CG1 4.44Å
44R83Confident86.6Confident107 Ų10757.9 Ų57.940%0.40433%0.325SS..SBendtrans-81.1-33-173.3-71.3-179.2175.7-156.9-3.6112F42 G46 E54F42-R44 PolarHBondContact O-N 2.92Å; R44-G46 VanDerWaalsContact C-N 3.3Å; R44-E54 PolarHBondContact N-OE1 3.18Å
45D85.4Confident86.5Confident81 Ų8152.9 Ų52.943%0.43330%0.301SS..SBendtrans-83.6-10.1178.277.7-8.2000112.8D43 S47 E54 Y125D43-D45 VanDerWaalsContact OD1-OD1 3.11Å; D45-S47 VanDerWaalsContact C-N 3.27Å; D45-S47 WeakPolarHBondContact OD1-CB 3.49Å; D45-S47 PolarHBondContact OD1-N 3.22Å; D45-S47 PolarHBondContact OD1-OG 3.42Å; D45-E54 PolarHBondContact N-OE1 2.8Å; D45-Y125 HydrophobicContact CB-CD1 4.06Å
46G85.3Confident86.2Confident57 Ų5756.8 Ų56.859%0.58832%0.321SS*.  trans71.823.8178.700000112.6D43 R44 G48D43-G46 WeakPolarHBondContact OD1-CA 3.49Å; D43-G46 PolarHBondContact OD1-N 2.8Å; R44-G46 VanDerWaalsContact C-N 3.3Å; G46-G48 PolarHBondContact O-N 3.18Å
47S88Confident85.8Confident65 Ų6556.3 Ų56.346%0.45532%0.317SS..SBendtrans-67.2-17178.663.40000112.7D43 D45 S49D43-S47 PolarHBondContact OD1-N 3.19Å; D43-S47 PolarHBondContact OD1-OG 3.41Å; D45-S47 VanDerWaalsContact C-N 3.27Å; D45-S47 WeakPolarHBondContact OD1-CB 3.49Å; D45-S47 PolarHBondContact OD1-N 3.22Å; D45-S47 PolarHBondContact OD1-OG 3.42Å; S47-S49 VanDerWaalsContact C-N 3.32Å; S47-S49 PolarHBondContact OG-N 3.07Å; S47-S49 PolarHBondContact OG-O 3.27Å; S47-S49 PolarHBondContact OG-OG 3.41Å
48G89.3Confident85.3Confident44 Ų4455 Ų5545%0.45430%0.303SS..SBendtrans82.113.5-173.900000113.2F39 D43 G46F39-G48 WeakPolarHBondContact CZ-O 3.27Å; D43-G48 VanDerWaalsContact OD2-CA 3.24Å; D43-G48 WeakPolarHBondContact OD2-CA 3.31Å; D43-G48 PolarHBondContact OD2-N 3.11Å; G46-G48 PolarHBondContact O-N 3.18Å
49S90.4Very high84.8Confident29 Ų2956.3 Ų56.320%0.20331%0.311CS..EExtended strand (participates in β ladder)trans-146.5145.6176.557.60000109.5L14 S47L14-S49 CarbonylContact O-C 3.58Å; L14-S49 WeakPolarHBondContact O-CA 3.48Å; S47-S49 VanDerWaalsContact C-N 3.32Å; S47-S49 PolarHBondContact OG-N 3.07Å; S47-S49 PolarHBondContact OG-O 3.27Å; S47-S49 PolarHBondContact OG-OG 3.41Å
50I89.9Confident84.4Confident0 Ų058.2 Ų58.20%032%0.317CS..EExtended strand (participates in β ladder)trans-93113.9176.7-58.4164.3000108.4S13 L14 F19 F39 F42 D43 E54 F55S13-I50 CarbonylContact C-O 3.47Å; S13-I50 WeakPolarHBondContact CA-O 3.29Å; L14-I50 HydrophobicContact CB-CB 4.32Å; L14-I50 PolarHBondContact N-O 2.96Å; L14-I50 PolarHBondContact O-N 3.07Å; F19-I50 HydrophobicContact CD2-CD1 3.56Å; F19-I50 HydrophobicContact CE2-CD1 3.8Å; F19-I50 HydrophobicContact CG-CD1 3.98Å; F19-I50 HydrophobicContact CZ-CD1 4.4Å; F39-I50 HydrophobicContact CD2-CD1 3.45Å; F39-I50 VanDerWaalsContact CD2-CD1 3.45Å; F39-I50 HydrophobicContact CD2-CG1 3.94Å; F39-I50 HydrophobicContact CE2-CD1 3.66Å; F39-I50 HydrophobicContact CE2-CG1 3.71Å; F39-I50 HydrophobicContact CG-CD1 4.26Å; F39-I50 HydrophobicContact CZ-CG1 4.2Å; F42-I50 HydrophobicContact CB-CB 4.46Å; F42-I50 HydrophobicContact CB-CD1 3.38Å; F42-I50 HydrophobicContact CB-CG1 3.62Å; F42-I50 HydrophobicContact CB-CG2 3.98Å; F42-I50 HydrophobicContact CD1-CD1 4.19Å; F42-I50 HydrophobicContact CD1-CG2 4.02Å; F42-I50 HydrophobicContact CG-CD1 3.96Å; D43-I50 HydrophobicContact CB-CG1 4.44Å; I50-E54 WeakPolarHBondContact CA-OE2 3.49Å; I50-E54 HydrophobicContact CG2-CB 3.96Å; I50-F55 HydrophobicContact CG2-CB 3.99Å
51D89.8Confident83.8Confident41 Ų4156 Ų5622%0.21932%0.315CS..EExtended strand (participates in β ladder)trans-75.1171174.98134.3000112.3D53 E54 F55D51-D53 VanDerWaalsContact C-N 3.31Å; D51-D53 PolarHBondContact O-N 2.8Å; D51-D53 WeakPolarHBondContact OD1-CA 3.4Å; D51-D53 WeakPolarHBondContact OD1-CB 3.34Å; D51-D53 PolarHBondContact OD1-N 3.49Å; D51-E54 PolarHBondContact N-OE2 3.13Å; D51-E54 WeakPolarHBondContact OD1-CG 3.39Å; D51-E54 PolarHBondContact OD1-N 3.12Å; D51-F55 WeakPolarHBondContact O-CB 3.41Å; D51-F55 PolarHBondContact O-N 2.76Å
52F83.3Confident83.5Confident96 Ų9655.6 Ų55.642%0.42132%0.323SS..Hα-helixtrans-62.9-36.2-178.5-176.6-109.5000113.5F3 L56F3-F52 HydrophobicContact CB-CD2 4.1Å; F3-F52 HydrophobicContact CB-CE2 4.12Å; F3-F52 AromaticContact CD1-CD2 3.67Å; F3-F52 HydrophobicContact CD1-CD2 3.67Å; F3-F52 HydrophobicContact CD1-CE2 4.38Å; F3-F52 HydrophobicContact CD2-CD2 4.05Å; F3-F52 HydrophobicContact CE1-CB 4.19Å; F3-F52 HydrophobicContact CE1-CD2 4.03Å; F3-F52 HydrophobicContact CE2-CB 4.43Å; F3-F52 HydrophobicContact CE2-CD2 4.36Å; F3-F52 AromaticContact CG-CD2 3.67Å; F3-F52 HydrophobicContact CG-CD2 3.67Å; F3-F52 HydrophobicContact CG-CE2 4.2Å; F3-F52 HydrophobicContact CZ-CB 4.04Å; F3-F52 HydrophobicContact CZ-CD2 4.34Å; F52-L56 HydrophobicContact CD1-CD1 3.96Å; F52-L56 HydrophobicContact CD1-CG 4.47Å; F52-L56 HydrophobicContact CE1-CD1 3.39Å; F52-L56 HydrophobicContact CE1-CG 4.08Å; F52-L56 HydrophobicContact CE2-CD1 4.47Å; F52-L56 HydrophobicContact CE2-CG 4.34Å; F52-L56 HydrophobicContact CZ-CD1 3.69Å; F52-L56 HydrophobicContact CZ-CD2 4.21Å; F52-L56 HydrophobicContact CZ-CG 4.01Å; F52-L56 WeakPolarHBondContact O-CG 3.31Å; F52-L56 PolarHBondContact O-N 3.42Å; F52-L56 VanDerWaalsContact O-N 3.07Å
53D82.9Confident83.5Confident98 Ų9855.6 Ų55.652%0.52432%0.324SS..Hα-helixtrans-73.6-41.7-178.7-72.9-44.7000110.8D51 F55 L56 V57D51-D53 VanDerWaalsContact C-N 3.31Å; D51-D53 PolarHBondContact O-N 2.8Å; D51-D53 WeakPolarHBondContact OD1-CA 3.4Å; D51-D53 WeakPolarHBondContact OD1-CB 3.34Å; D51-D53 PolarHBondContact OD1-N 3.49Å; D53-F55 VanDerWaalsContact C-N 3.33Å; D53-F55 PolarHBondContact O-N 2.97Å; D53-L56 PolarHBondContact O-N 3.24Å; D53-V57 VanDerWaalsContact O-CB 3.3Å; D53-V57 WeakPolarHBondContact O-CB 3.49Å; D53-V57 WeakPolarHBondContact O-CG2 3.37Å; D53-V57 PolarHBondContact O-N 3.5Å
54E85.4Confident83.6Confident0 Ų056.5 Ų56.50%033%0.332CS..Hα-helixtrans-58.8-43.1172.5-72.7-177.5137.400112.2F42 R44 D45 I50 D51 V57 T58F42-E54 WeakPolarHBondContact O-CB 3.35Å; R44-E54 PolarHBondContact N-OE1 3.18Å; D45-E54 PolarHBondContact N-OE1 2.8Å; I50-E54 WeakPolarHBondContact CA-OE2 3.49Å; I50-E54 HydrophobicContact CG2-CB 3.96Å; D51-E54 PolarHBondContact N-OE2 3.13Å; D51-E54 WeakPolarHBondContact OD1-CG 3.39Å; D51-E54 PolarHBondContact OD1-N 3.12Å; E54-V57 PolarHBondContact O-N 2.73Å; E54-T58 PolarHBondContact O-N 2.94Å; E54-T58 VanDerWaalsContact O-N 3.1Å; E54-T58 PolarHBondContact O-OG1 2.97Å
55F83.1Confident84Confident12 Ų1260.4 Ų60.45%0.05335%0.351CS..Hα-helixtrans-63-46.7175.7-172.9-100.9000112.1T2 F3 M6 L14 F42 I50 D51 D53 T58 L59T2-F55 HydrophobicContact CG2-CZ 4.18Å; F3-F55 HydrophobicContact CB-CD1 4.07Å; F3-F55 HydrophobicContact CB-CE1 3.96Å; F3-F55 HydrophobicContact CD2-CB 3.71Å; F3-F55 AromaticContact CD2-CD1 3.56Å; F3-F55 HydrophobicContact CD2-CD1 3.56Å; F3-F55 HydrophobicContact CD2-CD2 4.02Å; F3-F55 HydrophobicContact CD2-CE1 4.07Å; F3-F55 AromaticContact CD2-CG 3.5Å; F3-F55 HydrophobicContact CD2-CG 3.5Å; F3-F55 HydrophobicContact CE2-CB 3.77Å; F3-F55 HydrophobicContact CE2-CD1 4.47Å; F3-F55 HydrophobicContact CE2-CD2 4.48Å; F3-F55 HydrophobicContact CE2-CG 4.03Å; F3-F55 HydrophobicContact CG-CD1 4.27Å; M6-F55 HydrophobicContact SD-CE2 4.25Å; M6-F55 HydrophobicContact SD-CZ 4.23Å; L14-F55 HydrophobicContact CD1-CD2 4.09Å; L14-F55 HydrophobicContact CD1-CE2 4.17Å; F42-F55 HydrophobicContact CD1-CD2 4.18Å; F42-F55 AromaticContact CE1-CD2 3.85Å; F42-F55 HydrophobicContact CE1-CD2 3.85Å; F42-F55 HydrophobicContact CE1-CE2 4.3Å; I50-F55 HydrophobicContact CG2-CB 3.99Å; D51-F55 WeakPolarHBondContact O-CB 3.41Å; D51-F55 PolarHBondContact O-N 2.76Å; D53-F55 VanDerWaalsContact C-N 3.33Å; D53-F55 PolarHBondContact O-N 2.97Å; F55-T58 PolarHBondContact O-N 3.46Å; F55-L59 HydrophobicContact CD1-CD1 3.7Å; F55-L59 HydrophobicContact CD1-CG 4.42Å; F55-L59 HydrophobicContact CE1-CD1 3.17Å; F55-L59 HydrophobicContact CE1-CG 4.2Å; F55-L59 HydrophobicContact CE2-CD1 4.28Å; F55-L59 HydrophobicContact CG-CD1 4.46Å; F55-L59 HydrophobicContact CZ-CD1 3.52Å; F55-L59 HydrophobicContact CZ-CG 4.33Å; F55-L59 WeakPolarHBondContact O-CG 3.17Å; F55-L59 PolarHBondContact O-N 3.3Å; F55-L59 VanDerWaalsContact O-N 3.08Å
56L80Confident84.4Confident81 Ų8159.9 Ų59.942%0.42435%0.354SS..Hα-helixtrans-64.3-41.7177.8-75.7-177.5000112.1F52 D53 T58 L59 R60F52-L56 HydrophobicContact CD1-CD1 3.96Å; F52-L56 HydrophobicContact CD1-CG 4.47Å; F52-L56 HydrophobicContact CE1-CD1 3.39Å; F52-L56 HydrophobicContact CE1-CG 4.08Å; F52-L56 HydrophobicContact CE2-CD1 4.47Å; F52-L56 HydrophobicContact CE2-CG 4.34Å; F52-L56 HydrophobicContact CZ-CD1 3.69Å; F52-L56 HydrophobicContact CZ-CD2 4.21Å; F52-L56 HydrophobicContact CZ-CG 4.01Å; F52-L56 WeakPolarHBondContact O-CG 3.31Å; F52-L56 PolarHBondContact O-N 3.42Å; F52-L56 VanDerWaalsContact O-N 3.07Å; D53-L56 PolarHBondContact O-N 3.24Å; L56-T58 VanDerWaalsContact C-N 3.27Å; L56-T58 PolarHBondContact O-N 2.99Å; L56-L59 PolarHBondContact O-N 3.17Å; L56-R60 PolarHBondContact O-N 3.15Å
57V79Confident84.8Confident31 Ų3157.7 Ų57.719%0.18833%0.328CS..Hα-helixtrans-57.8-44.1179.1156.70000110.6D53 E54 R60D53-V57 VanDerWaalsContact O-CB 3.3Å; D53-V57 WeakPolarHBondContact O-CB 3.49Å; D53-V57 WeakPolarHBondContact O-CG2 3.37Å; D53-V57 PolarHBondContact O-N 3.5Å; E54-V57 PolarHBondContact O-N 2.73Å; V57-R60 VanDerWaalsContact CG1-NH2 3.27Å; V57-R60 PolarHBondContact O-N 3.3Å; V57-R60 PolarHBondContact O-NE 2.92Å
58T77.9Confident85.1Confident32 Ų3259.1 Ų59.120%0.19633%0.326CS..Hα-helixtrans-78.3-28.9-176.3-51.30000113F42 E54 F55 L56 R60F42-T58 HydrophobicContact CD1-CG2 3.94Å; F42-T58 HydrophobicContact CD2-CG2 3.6Å; F42-T58 VanDerWaalsContact CE1-CB 3.47Å; F42-T58 HydrophobicContact CE1-CG2 3.65Å; F42-T58 HydrophobicContact CE2-CG2 3.29Å; F42-T58 HydrophobicContact CG-CG2 3.94Å; F42-T58 HydrophobicContact CZ-CG2 3.33Å; E54-T58 PolarHBondContact O-N 2.94Å; E54-T58 VanDerWaalsContact O-N 3.1Å; E54-T58 PolarHBondContact O-OG1 2.97Å; F55-T58 PolarHBondContact O-N 3.46Å; L56-T58 VanDerWaalsContact C-N 3.27Å; L56-T58 PolarHBondContact O-N 2.99Å; T58-R60 VanDerWaalsContact C-N 3.28Å; T58-R60 PolarHBondContact O-N 3.36Å
59L75.8Confident85.4Confident100 Ų10061.8 Ų61.852%0.52433%0.327SS..Hα-helixtrans-78-6.4174.4-72.6-175.3000114.5F55 L56F55-L59 HydrophobicContact CD1-CD1 3.7Å; F55-L59 HydrophobicContact CD1-CG 4.42Å; F55-L59 HydrophobicContact CE1-CD1 3.17Å; F55-L59 HydrophobicContact CE1-CG 4.2Å; F55-L59 HydrophobicContact CE2-CD1 4.28Å; F55-L59 HydrophobicContact CG-CD1 4.46Å; F55-L59 HydrophobicContact CZ-CD1 3.52Å; F55-L59 HydrophobicContact CZ-CG 4.33Å; F55-L59 WeakPolarHBondContact O-CG 3.17Å; F55-L59 PolarHBondContact O-N 3.3Å; F55-L59 VanDerWaalsContact O-N 3.08Å; L56-L59 PolarHBondContact O-N 3.17Å
60R79.1Confident85.7Confident54 Ų5460.7 Ų60.720%0.20432%0.319CS..SBendtrans-60.1134.7177-82.6-178.5-69.8169.9-2.9110.2L56 V57 T58 N138 S141 A145L56-R60 PolarHBondContact O-N 3.15Å; V57-R60 VanDerWaalsContact CG1-NH2 3.27Å; V57-R60 PolarHBondContact O-N 3.3Å; V57-R60 PolarHBondContact O-NE 2.92Å; T58-R60 VanDerWaalsContact C-N 3.28Å; T58-R60 PolarHBondContact O-N 3.36Å; R60-N138 PolarHBondContact NH1-O 3.39Å; R60-N138 PolarHBondContact NH2-OD1 3.46Å; R60-S141 VanDerWaalsContact NH1-C 3.34Å; R60-A145 HydrophobicContact CG-CB 4.26Å
61P74.4Confident86Confident89 Ų8960.7 Ų60.758%0.57832%0.319SS*.PPolyproline II helixtrans-61.1142.9177.225-32.6000110.2M63P61-M63 PolarHBondContact O-N 3.33Å
62P78.4Confident86.2Confident115 Ų11560.2 Ų60.275%0.74732%0.316SS*.PPolyproline II helixtrans-63.3133.9179.625.8-33.4000110.1S64P62-S64 PolarHBondContact O-N 2.92Å
63M84.8Confident86.8Confident16 Ų1659.1 Ų59.18%0.07931%0.312CS..PPolyproline II helixtrans-57.4139.2172.7-70.9-167.4-75.200110.9P61 R67 K68 L137P61-M63 PolarHBondContact O-N 3.33Å; M63-R67 HydrophobicContact CB-CB 4.32Å; M63-K68 HydrophobicContact CB-CD 4.41Å; M63-K68 HydrophobicContact CB-CG 3.74Å; M63-K68 HydrophobicContact CE-CG 4.23Å; M63-K68 VanDerWaalsContact O-CE 3.25Å; M63-K68 WeakPolarHBondContact O-CE 3.17Å; M63-L137 HydrophobicContact CE-CB 4.47Å; M63-L137 HydrophobicContact CE-CD2 3.76Å; M63-L137 WeakPolarHBondContact CE-O 3.29Å
64S90.4Very high87.4Confident39 Ų3954.5 Ų54.527%0.27329%0.287SS..PPolyproline II helixtrans-59.9156.6173.380.50000110.8P62 S66 R67 K68 D150P62-S64 PolarHBondContact O-N 2.92Å; S64-S66 PolarHBondContact O-N 3.49Å; S64-R67 PolarHBondContact O-N 3.26Å; S64-R67 VanDerWaalsContact O-N 3.17Å; S64-R67 WeakPolarHBondContact OG-CG 3.25Å; S64-R67 PolarHBondContact OG-N 3.33Å; S64-K68 PolarHBondContact O-N 3.31Å; S64-D150 VanDerWaalsContact CB-OD2 3.28Å; S64-D150 WeakPolarHBondContact CB-OD2 3.25Å; S64-D150 PolarHBondContact OG-OD2 3.48Å
65K92.2Very high87.9Confident188 Ų18854.5 Ų54.582%0.81729%0.287SS*.Hα-helixtrans-56-39.4178.5-66.1-175.2-178.9-179.40111.7K68 E69K65-K68 PolarHBondContact O-N 2.86Å; K65-E69 PolarHBondContact O-N 2.87Å
66S93Very high88.4Confident70 Ų7060.8 Ų60.849%0.4931%0.31SS..Hα-helixtrans-65.3-40.8179.3-50.40000112.8S64 V70S64-S66 PolarHBondContact O-N 3.49Å; S66-V70 PolarHBondContact O-N 3.11Å
67R94.4Very high89Confident12 Ų1260.1 Ų60.15%0.04530%0.304CS..Hα-helixtrans-67.4-42.4174.7-66.7-169.9-167.7-156.91.3111.5M63 S64 E69 V70 V71 S144 I147 D148 S149 D150 F153M63-R67 HydrophobicContact CB-CB 4.32Å; S64-R67 PolarHBondContact O-N 3.26Å; S64-R67 VanDerWaalsContact O-N 3.17Å; S64-R67 WeakPolarHBondContact OG-CG 3.25Å; S64-R67 PolarHBondContact OG-N 3.33Å; R67-E69 VanDerWaalsContact C-N 3.33Å; R67-E69 PolarHBondContact O-N 3.36Å; R67-V70 VanDerWaalsContact O-CG1 3.27Å; R67-V70 WeakPolarHBondContact O-CG1 3.38Å; R67-V70 PolarHBondContact O-N 2.85Å; R67-V71 VanDerWaalsContact O-CG2 3.26Å; R67-V71 WeakPolarHBondContact O-CG2 3.39Å; R67-V71 PolarHBondContact O-N 2.99Å; R67-V71 VanDerWaalsContact O-N 3.15Å; R67-S144 WeakPolarHBondContact CD-OG 3.17Å; R67-S144 PolarHBondContact NH1-O 3.4Å; R67-S144 PolarHBondContact NH1-OG 2.89Å; R67-I147 VanDerWaalsContact CZ-O 3.32Å; R67-I147 PolarHBondContact NH1-O 3.12Å; R67-I147 PolarHBondContact NH2-O 3.34Å; R67-D148 PolarHBondContact NH2-O 2.87Å; R67-S149 VanDerWaalsContact NH2-C 3.29Å; R67-D150 IonicContact CZ-OD1 2.72Å; R67-D150 IonicContact NE-OD1 2.78Å; R67-D150 PolarHBondContact NE-OD1 3.09Å; R67-D150 IonicContact NH2-OD1 2.62Å; R67-D150 PolarHBondContact NH2-OD1 2.87Å; R67-F153 HydrophobicContact CB-CD1 3.79Å; R67-F153 HydrophobicContact CB-CE1 3.73Å; R67-F153 HydrophobicContact CG-CB 4.36Å; R67-F153 HydrophobicContact CG-CD1 3.49Å; R67-F153 VanDerWaalsContact CG-CD1 3.49Å; R67-F153 HydrophobicContact CG-CE1 3.98Å; R67-F153 HydrophobicContact CG-CG 4.01Å
68K93.9Very high89.6Confident94 Ų9458.8 Ų58.841%0.40930%0.296SS..Hα-helixtrans-59.4-44.2175.8-72.7-178.7177.2-177.60111.4M63 S64 K65 V70 V71 M72M63-K68 HydrophobicContact CB-CD 4.41Å; M63-K68 HydrophobicContact CB-CG 3.74Å; M63-K68 HydrophobicContact CE-CG 4.23Å; M63-K68 VanDerWaalsContact O-CE 3.25Å; M63-K68 WeakPolarHBondContact O-CE 3.17Å; S64-K68 PolarHBondContact O-N 3.31Å; K65-K68 PolarHBondContact O-N 2.86Å; K68-V70 PolarHBondContact O-N 2.64Å; K68-V71 PolarHBondContact O-N 3.3Å; K68-M72 VanDerWaalsContact O-CG 3.31Å; K68-M72 WeakPolarHBondContact O-CG 3.27Å; K68-M72 PolarHBondContact O-N 3.21Å
69E95.3Very high90.4Very high100 Ų10058.1 Ų58.147%0.46729%0.291SS..Hα-helixtrans-63-44.8-178.6-167.361.6-14300112.2K65 R67 V71 M72 E73 R76K65-E69 PolarHBondContact O-N 2.87Å; R67-E69 VanDerWaalsContact C-N 3.33Å; R67-E69 PolarHBondContact O-N 3.36Å; E69-V71 VanDerWaalsContact C-N 3.31Å; E69-V71 PolarHBondContact O-N 2.98Å; E69-M72 CarbonylContact O-C 3.59Å; E69-M72 PolarHBondContact O-N 3.4Å; E69-E73 WeakPolarHBondContact O-CB 3.26Å; E69-E73 PolarHBondContact O-N 3.4Å; E69-R76 IonicContact OE1-CZ 3.2Å; E69-R76 IonicContact OE1-NH1 3.74Å; E69-R76 PolarHBondContact OE1-NH1 2.72Å; E69-R76 IonicContact OE1-NH2 2.85Å
70V96.4Very high91.1Very high6 Ų659.1 Ų59.14%0.03629%0.291CS..Hα-helixtrans-67.6-31.8179.172.50000112.4S66 R67 K68 E73 A74 F153 I154 M157 R158 L163S66-V70 PolarHBondContact O-N 3.11Å; R67-V70 VanDerWaalsContact O-CG1 3.27Å; R67-V70 WeakPolarHBondContact O-CG1 3.38Å; R67-V70 PolarHBondContact O-N 2.85Å; K68-V70 PolarHBondContact O-N 2.64Å; V70-E73 PolarHBondContact O-N 3.07Å; V70-A74 PolarHBondContact O-N 2.98Å; V70-F153 HydrophobicContact CG1-CD1 4.21Å; V70-F153 HydrophobicContact CG1-CE1 3.94Å; V70-I154 HydrophobicContact CG1-CG1 4.07Å; V70-I154 HydrophobicContact CG2-CG2 4.44Å; V70-M157 HydrophobicContact CB-CB 4.49Å; V70-M157 HydrophobicContact CG1-CB 3.95Å; V70-M157 HydrophobicContact CG1-CG 4.04Å; V70-M157 HydrophobicContact CG2-CB 3.71Å; V70-R158 HydrophobicContact CG2-CG 4.14Å; V70-L163 HydrophobicContact CG2-CD1 3.71Å
71V96Very high91.5Very high0 Ų060.7 Ų60.70%031%0.307CS..Hα-helixtrans-66.9-43.3172175.50000110.6R67 K68 E69 E73 A74 F75 F136 L137 Y140 F153 M157R67-V71 VanDerWaalsContact O-CG2 3.26Å; R67-V71 WeakPolarHBondContact O-CG2 3.39Å; R67-V71 PolarHBondContact O-N 2.99Å; R67-V71 VanDerWaalsContact O-N 3.15Å; K68-V71 PolarHBondContact O-N 3.3Å; E69-V71 VanDerWaalsContact C-N 3.31Å; E69-V71 PolarHBondContact O-N 2.98Å; V71-E73 VanDerWaalsContact C-N 3.32Å; V71-E73 PolarHBondContact O-N 2.93Å; V71-A74 PolarHBondContact O-N 3.04Å; V71-F75 PolarHBondContact O-N 3.21Å; V71-F136 HydrophobicContact CG1-CD1 3.63Å; V71-F136 HydrophobicContact CG1-CE1 3.84Å; V71-F136 WeakPolarHBondContact O-CE1 3.3Å; V71-L137 HydrophobicContact CB-CD2 4.23Å; V71-L137 HydrophobicContact CG1-CD2 3.77Å; V71-L137 HydrophobicContact CG1-CG 4.43Å; V71-Y140 HydrophobicContact CG1-CD2 3.81Å; V71-Y140 HydrophobicContact CG1-CG 4.12Å; V71-Y140 HydrophobicContact CG2-CD2 4.33Å; V71-Y140 HydrophobicContact CG2-CG 3.93Å; V71-F153 HydrophobicContact CG2-CE1 3.86Å; V71-F153 HydrophobicContact CG2-CZ 3.8Å; V71-M157 HydrophobicContact CB-CE 4.21Å; V71-M157 HydrophobicContact CG2-CE 3.75Å
72M95.4Very high92.2Very high32 Ų3259.2 Ų59.216%0.15831%0.308CS..Hα-helixtrans-67.1-33.5176.1-69.1-51.7-56.100112.6K68 E69 F75 R76 K133 L137K68-M72 VanDerWaalsContact O-CG 3.31Å; K68-M72 WeakPolarHBondContact O-CG 3.27Å; K68-M72 PolarHBondContact O-N 3.21Å; E69-M72 CarbonylContact O-C 3.59Å; E69-M72 PolarHBondContact O-N 3.4Å; M72-F75 PolarHBondContact O-N 2.6Å; M72-R76 WeakPolarHBondContact O-CB 3.28Å; M72-R76 VanDerWaalsContact O-CG 3.25Å; M72-R76 WeakPolarHBondContact O-CG 3.18Å; M72-R76 PolarHBondContact O-N 3.48Å; M72-K133 HydrophobicContact CE-CB 4.48Å; M72-K133 HydrophobicContact CE-CD 4.03Å; M72-K133 HydrophobicContact CE-CG 4.1Å; M72-L137 HydrophobicContact SD-CD1 3.91Å; M72-L137 HydrophobicContact SD-CD2 4.13Å; M72-L137 HydrophobicContact SD-CG 4.07Å
73E95.5Very high92.9Very high73 Ų7358.6 Ų58.634%0.34130%0.299SS..Hα-helixtrans-63.7-44.8173.4-166.7-176170.100111.2E69 V70 V71 R76 K77 L163E69-E73 WeakPolarHBondContact O-CB 3.26Å; E69-E73 PolarHBondContact O-N 3.4Å; V70-E73 PolarHBondContact O-N 3.07Å; V71-E73 VanDerWaalsContact C-N 3.32Å; V71-E73 PolarHBondContact O-N 2.93Å; E73-R76 PolarHBondContact O-N 2.97Å; E73-K77 WeakPolarHBondContact O-CB 3.34Å; E73-K77 PolarHBondContact O-N 2.89Å; E73-L163 HydrophobicContact CB-CD1 4.06Å; E73-L163 HydrophobicContact CG-CD1 4.06Å; E73-L163 HydrophobicContact CG-CD2 4.05Å
74A95.3Very high93.3Very high0 Ų058.5 Ų58.50%030%0.301CS..Hα-helixtrans-60.3-4517200000112V70 V71 K77 L78 F136 M157 W161 L163V70-A74 PolarHBondContact O-N 2.98Å; V71-A74 PolarHBondContact O-N 3.04Å; A74-K77 WeakPolarHBondContact O-CB 3.48Å; A74-K77 PolarHBondContact O-N 3.34Å; A74-L78 WeakPolarHBondContact O-CG 3.37Å; A74-L78 PolarHBondContact O-N 3.48Å; A74-F136 HydrophobicContact CB-CE1 4.14Å; A74-F136 HydrophobicContact CB-CZ 4.28Å; A74-M157 HydrophobicContact CB-CE 3.85Å; A74-W161 HydrophobicContact CB-CB 3.98Å; A74-W161 VanDerWaalsContact CB-CD1 3.46Å; A74-W161 HydrophobicContact CB-CD2 4Å; A74-W161 HydrophobicContact CB-CG 3.53Å; A74-L163 HydrophobicContact CB-CD1 4.3Å
75F95.4Very high93.4Very high0 Ų058.4 Ų58.40%030%0.299CS..Hα-helixtrans-57.8-52.4176.8-175.5-83.3000111.7V71 M72 K77 L78 D79 G84 I86 K133 F136V71-F75 PolarHBondContact O-N 3.21Å; M72-F75 PolarHBondContact O-N 2.6Å; F75-K77 PolarHBondContact O-N 3.43Å; F75-L78 PolarHBondContact O-N 2.85Å; F75-D79 HydrophobicContact CD1-CB 4.29Å; F75-D79 HydrophobicContact CE1-CB 3.88Å; F75-D79 PolarHBondContact O-N 3.36Å; F75-G84 WeakPolarHBondContact CZ-O 3.42Å; F75-I86 HydrophobicContact CD2-CD1 3.5Å; F75-I86 VanDerWaalsContact CD2-CD1 3.5Å; F75-I86 HydrophobicContact CD2-CG1 4.13Å; F75-I86 HydrophobicContact CE2-CD1 3.49Å; F75-I86 VanDerWaalsContact CE2-CD1 3.49Å; F75-I86 HydrophobicContact CE2-CG1 3.69Å; F75-I86 HydrophobicContact CG-CD1 4.22Å; F75-I86 HydrophobicContact CZ-CD1 4.2Å; F75-I86 HydrophobicContact CZ-CG1 3.91Å; F75-K133 HydrophobicContact CD1-CG 3.86Å; F75-K133 HydrophobicContact CD2-CG 4.3Å; F75-K133 HydrophobicContact CE1-CD 4.22Å; F75-K133 HydrophobicContact CE1-CG 3.43Å; F75-K133 VanDerWaalsContact CE1-CG 3.43Å; F75-K133 HydrophobicContact CE2-CB 4.4Å; F75-K133 HydrophobicContact CE2-CG 3.89Å; F75-K133 HydrophobicContact CG-CG 4.29Å; F75-K133 HydrophobicContact CZ-CB 4.38Å; F75-K133 HydrophobicContact CZ-CG 3.45Å; F75-K133 VanDerWaalsContact CZ-CG 3.45Å; F75-F136 HydrophobicContact CB-CD1 3.97Å; F75-F136 HydrophobicContact CB-CE1 4.1Å; F75-F136 HydrophobicContact CD2-CB 3.77Å; F75-F136 AromaticContact CD2-CD1 3.96Å; F75-F136 HydrophobicContact CD2-CD1 3.96Å; F75-F136 HydrophobicContact CD2-CD2 4.5Å; F75-F136 AromaticContact CD2-CG 3.85Å; F75-F136 HydrophobicContact CD2-CG 3.85Å; F75-F136 HydrophobicContact CE2-CB 4.24Å; F75-F136 HydrophobicContact CG-CD1 4.49Å
76R94.3Very high93.5Very high144 Ų14449.6 Ų49.654%0.54326%0.261SS..Hα-helixtrans-61.2-27.9179.1-70.1171.4-168.6145.54.2112.7E69 M72 E73E69-R76 IonicContact OE1-CZ 3.2Å; E69-R76 IonicContact OE1-NH1 3.74Å; E69-R76 PolarHBondContact OE1-NH1 2.72Å; E69-R76 IonicContact OE1-NH2 2.85Å; M72-R76 WeakPolarHBondContact O-CB 3.28Å; M72-R76 VanDerWaalsContact O-CG 3.25Å; M72-R76 WeakPolarHBondContact O-CG 3.18Å; M72-R76 PolarHBondContact O-N 3.48Å; E73-R76 PolarHBondContact O-N 2.97Å
77K92.6Very high93.6Very high67 Ų6747.4 Ų47.429%0.29124%0.244SC..Hα-helixtrans-70-36.7175.8179.6171.9-179.5174.90111.9E73 A74 F75 K80 W161 K162 L163E73-K77 WeakPolarHBondContact O-CB 3.34Å; E73-K77 PolarHBondContact O-N 2.89Å; A74-K77 WeakPolarHBondContact O-CB 3.48Å; A74-K77 PolarHBondContact O-N 3.34Å; F75-K77 PolarHBondContact O-N 3.43Å; K77-K80 WeakPolarHBondContact O-CE 3.23Å; K77-K80 PolarHBondContact O-NZ 3.44Å; K77-K80 VanDerWaalsContact O-NZ 3.08Å; K77-W161 WeakPolarHBondContact CE-O 3.25Å; K77-W161 PolarHBondContact NZ-O 3.2Å; K77-K162 PolarHBondContact NZ-O 2.62Å; K77-L163 HydrophobicContact CB-CD2 4.32Å; K77-L163 HydrophobicContact CD-CD2 3.68Å
78L91.8Very high93.5Very high3 Ų347.7 Ų47.72%0.01625%0.247CC..Hα-helixtrans-78.1-47.6179.9-64.3173.3000111.7A74 F75 K80 I86 D90 L91 V94 Y95 F136 W161A74-L78 WeakPolarHBondContact O-CG 3.37Å; A74-L78 PolarHBondContact O-N 3.48Å; F75-L78 PolarHBondContact O-N 2.85Å; L78-K80 PolarHBondContact O-N 2.98Å; L78-I86 HydrophobicContact CB-CD1 3.7Å; L78-I86 HydrophobicContact CB-CG1 3.97Å; L78-I86 HydrophobicContact CB-CG2 4.14Å; L78-I86 HydrophobicContact CD1-CD1 3.77Å; L78-I86 HydrophobicContact CG-CD1 4.4Å; L78-D90 WeakPolarHBondContact O-CB 3.29Å; L78-L91 HydrophobicContact CD2-CD2 4.16Å; L78-V94 HydrophobicContact CD2-CG1 4.25Å; L78-Y95 HydrophobicContact CD2-CE2 3.65Å; L78-F136 HydrophobicContact CD1-CE2 3.96Å; L78-F136 HydrophobicContact CD1-CZ 4.01Å; L78-W161 HydrophobicContact CD1-CE3 4.03Å; L78-W161 HydrophobicContact CD1-CH2 3.63Å; L78-W161 HydrophobicContact CD1-CZ2 4.36Å; L78-W161 HydrophobicContact CD1-CZ3 3.46Å; L78-W161 VanDerWaalsContact CD1-CZ3 3.46Å; L78-W161 HydrophobicContact CD2-CE3 4.11Å; L78-W161 HydrophobicContact CD2-CZ3 3.76Å; L78-W161 HydrophobicContact CG-CE3 4.32Å; L78-W161 HydrophobicContact CG-CZ3 4.05Å
79D94Very high93.4Very high19 Ų1948.1 Ų48.110%0.10225%0.254CS..  trans-65.591.2176.5178.39000110.6F75 T81 G82 D83 G84 I86F75-D79 HydrophobicContact CD1-CB 4.29Å; F75-D79 HydrophobicContact CE1-CB 3.88Å; F75-D79 PolarHBondContact O-N 3.36Å; D79-T81 PolarHBondContact OD1-OG1 2.75Å; D79-G82 WeakPolarHBondContact OD1-CA 3.42Å; D79-G82 PolarHBondContact OD1-N 3.37Å; D79-D83 PolarHBondContact OD1-N 3.14Å; D79-G84 VanDerWaalsContact OD2-CA 3.29Å; D79-G84 WeakPolarHBondContact OD2-CA 3.5Å; D79-G84 PolarHBondContact OD2-N 3.35Å; D79-I86 HydrophobicContact CB-CG1 4.29Å
80K89.8Confident93.2Very high121 Ų12143.4 Ų43.453%0.52623%0.232SC..SBendtrans-83.8-32.4-177.4-72.1-54.5-175.4-163.60112.1K77 L78 G82 D90 V94K77-K80 WeakPolarHBondContact O-CE 3.23Å; K77-K80 PolarHBondContact O-NZ 3.44Å; K77-K80 VanDerWaalsContact O-NZ 3.08Å; L78-K80 PolarHBondContact O-N 2.98Å; K80-G82 VanDerWaalsContact C-N 3.28Å; K80-D90 WeakPolarHBondContact CA-OD1 3.06Å; K80-D90 PolarHBondContact N-OD1 3.47Å; K80-V94 HydrophobicContact CD-CG2 4.33Å; K80-V94 HydrophobicContact CG-CG2 4.05Å
81T89.1Confident92.9Very high86 Ų8643.2 Ų43.253%0.52823%0.231SC..SBendtrans-72-26.9176.361.30000111.7D79 D83 D90D79-T81 PolarHBondContact OD1-OG1 2.75Å; T81-D83 VanDerWaalsContact C-N 3.26Å; T81-D83 VanDerWaalsContact OG1-CG 3.3Å; T81-D83 PolarHBondContact OG1-OD1 2.77Å; T81-D90 WeakPolarHBondContact CG2-OD1 3.44Å; T81-D90 PolarHBondContact N-OD1 3.37Å; T81-D90 PolarHBondContact OG1-OD1 3.45Å
82G89.1Confident92.6Very high58 Ų5847.6 Ų47.660%0.59825%0.248SC*.  trans74.516.9-17900000113D79 K80 G84D79-G82 WeakPolarHBondContact OD1-CA 3.42Å; D79-G82 PolarHBondContact OD1-N 3.37Å; K80-G82 VanDerWaalsContact C-N 3.28Å; G82-G84 PolarHBondContact O-N 2.81Å
83D92Very high92Very high103 Ų10349 Ų4955%0.55127%0.271SS*.SBendtrans-82.3-5.4-178.573.6-3.4000112.6D79 T81 V85D79-D83 PolarHBondContact OD1-N 3.14Å; T81-D83 VanDerWaalsContact C-N 3.26Å; T81-D83 VanDerWaalsContact OG1-CG 3.3Å; T81-D83 PolarHBondContact OG1-OD1 2.77Å; D83-V85 WeakPolarHBondContact OD1-CG2 3.16Å; D83-V85 PolarHBondContact OD1-N 3.37Å; D83-V85 VanDerWaalsContact OD1-O 3.04Å; D83-V85 WeakPolarHBondContact OD2-CG2 3.32Å
84G92.6Very high91.4Very high13 Ų1347.7 Ų47.713%0.13427%0.267CS..SBendtrans898.2176.800000114.5F75 D79 G82F75-G84 WeakPolarHBondContact CZ-O 3.42Å; D79-G84 VanDerWaalsContact OD2-CA 3.29Å; D79-G84 WeakPolarHBondContact OD2-CA 3.5Å; D79-G84 PolarHBondContact OD2-N 3.35Å; G82-G84 PolarHBondContact O-N 2.81Å
85V94.3Very high90.9Very high37 Ų3751.7 Ų51.722%0.22428%0.283CS..EExtended strand (participates in β ladder)trans-128.9147.5170.5-64.90000110.1D83 T87 K130D83-V85 WeakPolarHBondContact OD1-CG2 3.16Å; D83-V85 PolarHBondContact OD1-N 3.37Å; D83-V85 VanDerWaalsContact OD1-O 3.04Å; D83-V85 WeakPolarHBondContact OD2-CG2 3.32Å; V85-T87 HydrophobicContact CG2-CG2 4.1Å; V85-K130 HydrophobicContact CB-CB 4.49Å; V85-K130 HydrophobicContact CG2-CD 4.48Å
86I94.2Very high90.6Very high3 Ų355.5 Ų55.52%0.01530%0.303CS..EExtended strand (participates in β ladder)trans-96.9124.7174.2-56.2161.7000108.1F75 L78 D79 D90 L91 L118 K130 V131 F136F75-I86 HydrophobicContact CD2-CD1 3.5Å; F75-I86 VanDerWaalsContact CD2-CD1 3.5Å; F75-I86 HydrophobicContact CD2-CG1 4.13Å; F75-I86 HydrophobicContact CE2-CD1 3.49Å; F75-I86 VanDerWaalsContact CE2-CD1 3.49Å; F75-I86 HydrophobicContact CE2-CG1 3.69Å; F75-I86 HydrophobicContact CG-CD1 4.22Å; F75-I86 HydrophobicContact CZ-CD1 4.2Å; F75-I86 HydrophobicContact CZ-CG1 3.91Å; L78-I86 HydrophobicContact CB-CD1 3.7Å; L78-I86 HydrophobicContact CB-CG1 3.97Å; L78-I86 HydrophobicContact CB-CG2 4.14Å; L78-I86 HydrophobicContact CD1-CD1 3.77Å; L78-I86 HydrophobicContact CG-CD1 4.4Å; D79-I86 HydrophobicContact CB-CG1 4.29Å; I86-D90 HydrophobicContact CG2-CB 4.27Å; I86-L91 HydrophobicContact CG2-CD2 4.07Å; I86-L91 HydrophobicContact CG2-CG 4.33Å; I86-L118 HydrophobicContact CB-CD2 4.41Å; I86-L118 HydrophobicContact CG2-CD2 3.8Å; I86-K130 WeakPolarHBondContact O-CA 3.49Å; I86-V131 HydrophobicContact CB-CB 4.25Å; I86-V131 PolarHBondContact N-O 3.31Å; I86-V131 PolarHBondContact O-N 3.35Å; I86-F136 HydrophobicContact CD1-CD2 4.28Å; I86-F136 HydrophobicContact CD1-CE2 4.41Å
87T94.1Very high90.3Very high24 Ų2448.7 Ų48.715%0.14728%0.278CS..  trans-118.2173.3179.669.80000112V85 D89 D90 L91 K130V85-T87 HydrophobicContact CG2-CG2 4.1Å; T87-D89 PolarHBondContact O-N 3.35Å; T87-D89 PolarHBondContact OG1-N 2.99Å; T87-D90 WeakPolarHBondContact CB-OD2 3.42Å; T87-D90 PolarHBondContact N-OD2 3.36Å; T87-D90 WeakPolarHBondContact O-CB 3.28Å; T87-D90 PolarHBondContact O-N 3.39Å; T87-D90 PolarHBondContact OG1-N 3.18Å; T87-D90 PolarHBondContact OG1-OD2 2.89Å; T87-L91 PolarHBondContact O-N 2.85Å; T87-K130 HydrophobicContact CG2-CD 4.48Å; T87-K130 HydrophobicContact CG2-CG 4.28Å
88V92.3Very high90.1Very high18 Ų1851.4 Ų51.411%0.10929%0.29CS..Hα-helixtrans-58.6-35173.91730000111.3L91 R92 E111 F114 L118V88-L91 PolarHBondContact O-N 2.83Å; V88-R92 WeakPolarHBondContact O-CG 3.47Å; V88-R92 PolarHBondContact O-N 2.83Å; V88-R92 VanDerWaalsContact O-N 3.07Å; V88-E111 HydrophobicContact CG1-CG 4.43Å; V88-F114 HydrophobicContact CB-CB 4.5Å; V88-F114 HydrophobicContact CG1-CB 3.89Å; V88-F114 HydrophobicContact CG1-CD2 4.13Å; V88-F114 HydrophobicContact CG1-CG 4.47Å; V88-F114 HydrophobicContact CG2-CB 4.31Å; V88-L118 HydrophobicContact CG2-CD1 3.82Å
89D91.5Very high89.9Confident104 Ų10459.9 Ų59.956%0.55632%0.323SS*.Hα-helixtrans-66.7-37.9179-72.9-42.5000112.3T87 L91 R92T87-D89 PolarHBondContact O-N 3.35Å; T87-D89 PolarHBondContact OG1-N 2.99Å; D89-L91 VanDerWaalsContact C-N 3.34Å; D89-L91 PolarHBondContact O-N 2.89Å; D89-R92 PolarHBondContact O-N 3.4Å; D89-R92 IonicContact OD1-CZ 3.93Å; D89-R92 IonicContact OD1-NH1 2.8Å; D89-R92 PolarHBondContact OD1-NH1 3.03Å
90D92.3Very high89.7Confident1 Ų161.9 Ų61.91%0.00533%0.331CS..Hα-helixtrans-61.9-43.8173.4-65.8-67.9000111.5L78 K80 T81 I86 T87 R92 G93L78-D90 WeakPolarHBondContact O-CB 3.29Å; K80-D90 WeakPolarHBondContact CA-OD1 3.06Å; K80-D90 PolarHBondContact N-OD1 3.47Å; T81-D90 WeakPolarHBondContact CG2-OD1 3.44Å; T81-D90 PolarHBondContact N-OD1 3.37Å; T81-D90 PolarHBondContact OG1-OD1 3.45Å; I86-D90 HydrophobicContact CG2-CB 4.27Å; T87-D90 WeakPolarHBondContact CB-OD2 3.42Å; T87-D90 PolarHBondContact N-OD2 3.36Å; T87-D90 WeakPolarHBondContact O-CB 3.28Å; T87-D90 PolarHBondContact O-N 3.39Å; T87-D90 PolarHBondContact OG1-N 3.18Å; T87-D90 PolarHBondContact OG1-OD2 2.89Å; D90-R92 PolarHBondContact O-N 3.44Å; D90-G93 PolarHBondContact O-N 3.22Å; D90-G93 VanDerWaalsContact O-N 3.15Å
91L89.4Confident89.8Confident1 Ų160.2 Ų60.21%0.00533%0.333CS..Hα-helixtrans-67.4-33.5-179.7-64.7-176.1000113.4L78 I86 T87 V88 D89 G93 V94 Y95 F114 F117 L118L78-L91 HydrophobicContact CD2-CD2 4.16Å; I86-L91 HydrophobicContact CG2-CD2 4.07Å; I86-L91 HydrophobicContact CG2-CG 4.33Å; T87-L91 PolarHBondContact O-N 2.85Å; V88-L91 PolarHBondContact O-N 2.83Å; D89-L91 VanDerWaalsContact C-N 3.34Å; D89-L91 PolarHBondContact O-N 2.89Å; L91-G93 PolarHBondContact O-N 3.06Å; L91-V94 PolarHBondContact O-N 3.25Å; L91-Y95 HydrophobicContact CD2-CD2 4.01Å; L91-Y95 HydrophobicContact CD2-CE2 4.17Å; L91-Y95 PolarHBondContact O-N 3.47Å; L91-F114 HydrophobicContact CB-CB 4.42Å; L91-F114 HydrophobicContact CB-CD1 3.9Å; L91-F114 HydrophobicContact CB-CE1 4.35Å; L91-F114 HydrophobicContact CB-CG 4.1Å; L91-F114 HydrophobicContact CD1-CB 4.08Å; L91-F114 HydrophobicContact CD1-CD1 4.24Å; L91-F114 HydrophobicContact CD1-CG 4.45Å; L91-F117 HydrophobicContact CD1-CD1 3.52Å; L91-F117 HydrophobicContact CD1-CE1 4.07Å; L91-F117 HydrophobicContact CD1-CG 4.46Å; L91-F117 HydrophobicContact CD2-CD1 4.3Å; L91-F117 HydrophobicContact CD2-CE1 3.99Å; L91-L118 HydrophobicContact CD1-CD1 4.08Å; L91-L118 HydrophobicContact CD1-CD2 3.58Å; L91-L118 HydrophobicContact CD1-CG 3.57Å; L91-L118 HydrophobicContact CG-CD2 4.2Å
92R89.3Confident89.9Confident93 Ų9360 Ų6035%0.35133%0.325SS..Hα-helixtrans-57-31.3172.9-76.5175.8178.3124.74.7112.1V88 D89 D90 V94 E110 E111 F114V88-R92 WeakPolarHBondContact O-CG 3.47Å; V88-R92 PolarHBondContact O-N 2.83Å; V88-R92 VanDerWaalsContact O-N 3.07Å; D89-R92 PolarHBondContact O-N 3.4Å; D89-R92 IonicContact OD1-CZ 3.93Å; D89-R92 IonicContact OD1-NH1 2.8Å; D89-R92 PolarHBondContact OD1-NH1 3.03Å; D90-R92 PolarHBondContact O-N 3.44Å; R92-V94 VanDerWaalsContact C-N 3.35Å; R92-E110 IonicContact NE-OE2 3.82Å; R92-E111 IonicContact NH2-OE2 2.65Å; R92-F114 HydrophobicContact CB-CE2 4.41Å; R92-F114 HydrophobicContact CG-CD2 3.95Å; R92-F114 HydrophobicContact CG-CE2 3.61Å
93G83.3Confident90Very high62 Ų6261.1 Ų61.164%0.63931%0.311SS*.THydrogen-bonded Turntrans-79.5-12.9177.400000114.7D90 L91D90-G93 PolarHBondContact O-N 3.22Å; D90-G93 VanDerWaalsContact O-N 3.15Å; L91-G93 PolarHBondContact O-N 3.06Å
94V83.8Confident90Very high44 Ų4462.3 Ų62.327%0.26731%0.314SS..THydrogen-bonded Turntrans-116.3-37.8-173-177.40000112.5L78 K80 L91 R92L78-V94 HydrophobicContact CD2-CG1 4.25Å; K80-V94 HydrophobicContact CD-CG2 4.33Å; K80-V94 HydrophobicContact CG-CG2 4.05Å; L91-V94 PolarHBondContact O-N 3.25Å; R92-V94 VanDerWaalsContact C-N 3.35Å
95Y85Confident90Very high85 Ų8565.9 Ų65.933%0.33333%0.33SS..  trans-124.1157-172.2-65.1-69.7000111.6L78 L91 F114 F117 W161L78-Y95 HydrophobicContact CD2-CE2 3.65Å; L91-Y95 HydrophobicContact CD2-CD2 4.01Å; L91-Y95 HydrophobicContact CD2-CE2 4.17Å; L91-Y95 PolarHBondContact O-N 3.47Å; Y95-F114 WeakPolarHBondContact O-CZ 3.25Å; Y95-F117 HydrophobicContact CE2-CZ 4.49Å; Y95-W161 HydrophobicContact CE2-CZ3 4.49Å; Y95-W161 VanDerWaalsContact OH-CE3 3.3Å; Y95-W161 VanDerWaalsContact OH-CZ3 3.27Å; Y95-W161 WeakPolarHBondContact OH-CZ3 3.25Å
96N87.7Confident89.9Confident79 Ų7967.1 Ų67.142%0.42235%0.35SS..  trans-120.4112.6-178.7-172.4-19.9000110.2K98 Y99N96-K98 PolarHBondContact O-N 3.42Å; N96-K98 WeakPolarHBondContact OD1-CB 3.45Å; N96-K98 WeakPolarHBondContact OD1-CG 3.2Å; N96-K98 PolarHBondContact OD1-N 3.08Å; N96-Y99 HydrophobicContact CB-CD2 4.26Å; N96-Y99 HydrophobicContact CB-CE2 4.35Å
97A88.4Confident90Very high2 Ų272.8 Ų72.82%0.01738%0.377CS..G310 helixtrans-66.1-17.3-179.400000113.5Y99 H100 Y103 E110 V113 F114A97-Y99 PolarHBondContact O-N 3.39Å; A97-H100 VanDerWaalsContact O-CB 3.29Å; A97-H100 WeakPolarHBondContact O-CB 3.38Å; A97-H100 PolarHBondContact O-N 2.93Å; A97-Y103 HydrophobicContact CB-CD2 4.27Å; A97-Y103 HydrophobicContact CB-CG 4.41Å; A97-Y103 WeakPolarHBondContact O-CB 3.33Å; A97-E110 HydrophobicContact CB-CB 4.13Å; A97-E110 HydrophobicContact CB-CG 3.77Å; A97-V113 HydrophobicContact CB-CB 4.18Å; A97-V113 HydrophobicContact CB-CG1 4.13Å; A97-V113 HydrophobicContact CB-CG2 4.31Å; A97-F114 HydrophobicContact CB-CE1 4.46Å; A97-F114 HydrophobicContact CB-CE2 4.29Å; A97-F114 HydrophobicContact CB-CZ 4Å
98K88.3Confident90Very high124 Ų12474.8 Ų74.854%0.53938%0.382SS..G310 helixtrans-60.2-19.9-176.6-65.7178.3-178.3-177.30114.7N96 Y103 Q104N96-K98 PolarHBondContact O-N 3.42Å; N96-K98 WeakPolarHBondContact OD1-CB 3.45Å; N96-K98 WeakPolarHBondContact OD1-CG 3.2Å; N96-K98 PolarHBondContact OD1-N 3.08Å; K98-Y103 HydrophobicContact CB-CE1 4.32Å; K98-Y103 HydrophobicContact CG-CD1 4.49Å; K98-Y103 HydrophobicContact CG-CE1 3.84Å; K98-Q104 WeakPolarHBondContact O-CG 3.08Å; K98-Q104 PolarHBondContact O-NE2 3.2Å
99Y87.1Confident90.1Very high180 Ų18077.6 Ų77.671%0.70640%0.399SS*.G310 helixtrans-93.7-5177.7-60.1-73.4000113.3N96 A97N96-Y99 HydrophobicContact CB-CD2 4.26Å; N96-Y99 HydrophobicContact CB-CE2 4.35Å; A97-Y99 PolarHBondContact O-N 3.39Å
100H89.7Confident90.1Very high61 Ų6175.8 Ų75.828%0.28239%0.387SS..SBendtrans-75.6126.9176.8-169.3-88.5000110.2A97 K102 Y103 Q104 W108 V113A97-H100 VanDerWaalsContact O-CB 3.29Å; A97-H100 WeakPolarHBondContact O-CB 3.38Å; A97-H100 PolarHBondContact O-N 2.93Å; H100-K102 VanDerWaalsContact C-N 3.27Å; H100-K102 WeakPolarHBondContact ND1-CB 3.49Å; H100-K102 PolarHBondContact ND1-N 3.49Å; H100-K102 PolarHBondContact O-N 3.49Å; H100-Y103 WeakPolarHBondContact O-CB 3.44Å; H100-Y103 PolarHBondContact O-N 3.09Å; H100-Q104 PolarHBondContact O-N 3.43Å; H100-W108 AromaticContact CE1-CE3 3.47Å; H100-W108 VanDerWaalsContact CE1-CE3 3.47Å; H100-W108 AromaticContact CE1-CZ3 3.42Å; H100-W108 VanDerWaalsContact CE1-CZ3 3.42Å; H100-W108 WeakPolarHBondContact CE1-CZ3 3.49Å; H100-W108 AromaticContact ND1-CE3 3.93Å; H100-W108 AromaticContact NE2-CZ3 3.85Å; H100-V113 HydrophobicContact CB-CG1 4.08Å; H100-V113 HydrophobicContact CB-CG2 4.11Å
101P91.9Very high90Very high87 Ų8781.1 Ų81.157%0.56541%0.412SS*.Hα-helixtrans-55.3-39.5-176.2-28.134.9000113.7Y103 Q104 N105P101-Y103 VanDerWaalsContact C-N 3.29Å; P101-Y103 PolarHBondContact O-N 3.31Å; P101-Q104 PolarHBondContact O-N 3.07Å; P101-N105 PolarHBondContact O-N 2.82Å; P101-N105 VanDerWaalsContact O-N 3.07Å; P101-N105 PolarHBondContact O-OD1 3.3Å
102K91.3Very high90.2Very high82 Ų8285.3 Ų85.336%0.35743%0.432SS..Hα-helixtrans-72.8-18.8177.8-58.7-170.6173.1-178.10114.5H100 N105 E107 W108H100-K102 VanDerWaalsContact C-N 3.27Å; H100-K102 WeakPolarHBondContact ND1-CB 3.49Å; H100-K102 PolarHBondContact ND1-N 3.49Å; H100-K102 PolarHBondContact O-N 3.49Å; K102-N105 WeakPolarHBondContact CA-OD1 3.34Å; K102-N105 PolarHBondContact O-OD1 2.86Å; K102-E107 HydrophobicContact CB-CB 4.33Å; K102-E107 PolarHBondContact O-N 3.32Å; K102-E107 VanDerWaalsContact O-N 3.13Å; K102-W108 HydrophobicContact CB-CB 4.01Å; K102-W108 HydrophobicContact CB-CD2 3.69Å; K102-W108 HydrophobicContact CB-CE3 3.89Å; K102-W108 HydrophobicContact CB-CG 3.73Å; K102-W108 HydrophobicContact CD-CD2 3.5Å; K102-W108 VanDerWaalsContact CD-CD2 3.5Å; K102-W108 HydrophobicContact CD-CE3 3.82Å; K102-W108 HydrophobicContact CD-CG 4.12Å; K102-W108 HydrophobicContact CD-CH2 3.78Å; K102-W108 HydrophobicContact CD-CZ2 3.47Å; K102-W108 VanDerWaalsContact CD-CZ2 3.47Å; K102-W108 HydrophobicContact CD-CZ3 3.95Å; K102-W108 HydrophobicContact CG-CD2 4.26Å; K102-W108 HydrophobicContact CG-CE3 4.42Å; K102-W108 PolarHBondContact O-N 2.95Å
103Y91.6Very high90.4Very high80 Ų8081.7 Ų81.731%0.31442%0.42SS..Hα-helixtrans-80.4-40.2170.7-179.3-91.1000109.9A97 K98 H100 P101 N105 G106 W108 E110A97-Y103 HydrophobicContact CB-CD2 4.27Å; A97-Y103 HydrophobicContact CB-CG 4.41Å; A97-Y103 WeakPolarHBondContact O-CB 3.33Å; K98-Y103 HydrophobicContact CB-CE1 4.32Å; K98-Y103 HydrophobicContact CG-CD1 4.49Å; K98-Y103 HydrophobicContact CG-CE1 3.84Å; H100-Y103 WeakPolarHBondContact O-CB 3.44Å; H100-Y103 PolarHBondContact O-N 3.09Å; P101-Y103 VanDerWaalsContact C-N 3.29Å; P101-Y103 PolarHBondContact O-N 3.31Å; Y103-N105 PolarHBondContact O-N 2.95Å; Y103-G106 PolarHBondContact O-N 3.46Å; Y103-G106 VanDerWaalsContact O-N 3.15Å; Y103-W108 WeakPolarHBondContact CD2-O 3.14Å; Y103-E110 HydrophobicContact CD2-CB 4.34Å; Y103-E110 HydrophobicContact CE2-CB 3.82Å
104Q92.3Very high90.8Very high129 Ų12979 Ų7960%0.60339%0.391SS*.Hα-helixtrans-65.4-35.9-179.6-68-179.5-2000113.6K98 H100 P101 G106K98-Q104 WeakPolarHBondContact O-CG 3.08Å; K98-Q104 PolarHBondContact O-NE2 3.2Å; H100-Q104 PolarHBondContact O-N 3.43Å; P101-Q104 PolarHBondContact O-N 3.07Å; Q104-G106 VanDerWaalsContact C-N 3.27Å
105N93.1Very high91.2Very high87 Ų8781 Ų8147%0.46539%0.393SS..THydrogen-bonded Turntrans-83.6-0.3176.369.55.3000113.3P101 K102 Y103 E107P101-N105 PolarHBondContact O-N 2.82Å; P101-N105 VanDerWaalsContact O-N 3.07Å; P101-N105 PolarHBondContact O-OD1 3.3Å; K102-N105 WeakPolarHBondContact CA-OD1 3.34Å; K102-N105 PolarHBondContact O-OD1 2.86Å; Y103-N105 PolarHBondContact O-N 2.95Å; N105-E107 VanDerWaalsContact C-N 3.28Å; N105-E107 PolarHBondContact ND2-OE1 3.04Å; N105-E107 PolarHBondContact ND2-OE2 3.43Å; N105-E107 PolarHBondContact O-N 3Å; N105-E107 VanDerWaalsContact OD1-CB 3.25Å; N105-E107 WeakPolarHBondContact OD1-CB 3.21Å; N105-E107 VanDerWaalsContact OD1-CG 3.29Å; N105-E107 WeakPolarHBondContact OD1-CG 3.16Å; N105-E107 PolarHBondContact OD1-N 3.03Å
106G91.9Very high91.5Very high64 Ų6480 Ų8066%0.6640%0.396SS*.THydrogen-bonded Turntrans758179.900000115.3Y103 Q104Y103-G106 PolarHBondContact O-N 3.46Å; Y103-G106 VanDerWaalsContact O-N 3.15Å; Q104-G106 VanDerWaalsContact C-N 3.27Å
107E95.4Very high91.6Very high122 Ų12279.6 Ų79.657%0.5739%0.391SS*.SBendtrans-69.1-37.9176.7-73.5174.4177.300112K102 N105K102-E107 HydrophobicContact CB-CB 4.33Å; K102-E107 PolarHBondContact O-N 3.32Å; K102-E107 VanDerWaalsContact O-N 3.13Å; N105-E107 VanDerWaalsContact C-N 3.28Å; N105-E107 PolarHBondContact ND2-OE1 3.04Å; N105-E107 PolarHBondContact ND2-OE2 3.43Å; N105-E107 PolarHBondContact O-N 3Å; N105-E107 VanDerWaalsContact OD1-CB 3.25Å; N105-E107 WeakPolarHBondContact OD1-CB 3.21Å; N105-E107 VanDerWaalsContact OD1-CG 3.29Å; N105-E107 WeakPolarHBondContact OD1-CG 3.16Å; N105-E107 PolarHBondContact OD1-N 3.03Å
108W94.8Very high91.8Very high66 Ų6679.6 Ų79.625%0.2539%0.39CS..SBendtrans-118140.7-176.5-73.4-0.5000112.3H100 K102 Y103 Q112 V113 T116H100-W108 AromaticContact CE1-CE3 3.47Å; H100-W108 VanDerWaalsContact CE1-CE3 3.47Å; H100-W108 AromaticContact CE1-CZ3 3.42Å; H100-W108 VanDerWaalsContact CE1-CZ3 3.42Å; H100-W108 WeakPolarHBondContact CE1-CZ3 3.49Å; H100-W108 AromaticContact ND1-CE3 3.93Å; H100-W108 AromaticContact NE2-CZ3 3.85Å; K102-W108 HydrophobicContact CB-CB 4.01Å; K102-W108 HydrophobicContact CB-CD2 3.69Å; K102-W108 HydrophobicContact CB-CE3 3.89Å; K102-W108 HydrophobicContact CB-CG 3.73Å; K102-W108 HydrophobicContact CD-CD2 3.5Å; K102-W108 VanDerWaalsContact CD-CD2 3.5Å; K102-W108 HydrophobicContact CD-CE3 3.82Å; K102-W108 HydrophobicContact CD-CG 4.12Å; K102-W108 HydrophobicContact CD-CH2 3.78Å; K102-W108 HydrophobicContact CD-CZ2 3.47Å; K102-W108 VanDerWaalsContact CD-CZ2 3.47Å; K102-W108 HydrophobicContact CD-CZ3 3.95Å; K102-W108 HydrophobicContact CG-CD2 4.26Å; K102-W108 HydrophobicContact CG-CE3 4.42Å; K102-W108 PolarHBondContact O-N 2.95Å; Y103-W108 WeakPolarHBondContact CD2-O 3.14Å; W108-Q112 VanDerWaalsContact CA-OE1 3.28Å; W108-Q112 HydrophobicContact CB-CB 4.18Å; W108-Q112 HydrophobicContact CG-CB 4.29Å; W108-V113 HydrophobicContact CB-CG2 4.19Å; W108-V113 HydrophobicContact CE3-CG2 3.94Å; W108-T116 HydrophobicContact CH2-CG2 3.91Å; W108-T116 HydrophobicContact CZ3-CG2 4.28Å
109T93.6Very high91.9Very high77 Ų7776.3 Ų76.347%0.47238%0.379SS..  trans-74.3162.8164.570.50000110.5E111 Q112 V113T109-E111 PolarHBondContact O-N 3.27Å; T109-Q112 PolarHBondContact O-N 3.22Å; T109-Q112 WeakPolarHBondContact OG1-CG 3.4Å; T109-Q112 PolarHBondContact OG1-N 3.41Å; T109-Q112 VanDerWaalsContact OG1-N 3.16Å; T109-V113 WeakPolarHBondContact O-CG2 3.48Å; T109-V113 PolarHBondContact O-N 2.89Å; T109-V113 VanDerWaalsContact O-N 3.12Å
110E91.4Very high92Very high65 Ų6570.5 Ų70.530%0.30436%0.364SS..Hα-helixtrans-56.4-41.2173.5173.6174-120.600111.4R92 A97 Y103 Q112 V113 F114R92-E110 IonicContact NE-OE2 3.82Å; A97-E110 HydrophobicContact CB-CB 4.13Å; A97-E110 HydrophobicContact CB-CG 3.77Å; Y103-E110 HydrophobicContact CD2-CB 4.34Å; Y103-E110 HydrophobicContact CE2-CB 3.82Å; E110-Q112 PolarHBondContact O-N 3.1Å; E110-V113 WeakPolarHBondContact O-CB 3.42Å; E110-V113 PolarHBondContact O-N 2.99Å; E110-F114 HydrophobicContact CG-CD2 3.68Å; E110-F114 HydrophobicContact CG-CE2 3.29Å; E110-F114 HydrophobicContact CG-CZ 4.24Å; E110-F114 WeakPolarHBondContact O-CD2 3.38Å; E110-F114 PolarHBondContact O-N 2.85Å; E110-F114 VanDerWaalsContact O-N 3.11Å
111E91.4Very high92Very high113 Ų11368.4 Ų68.453%0.52835%0.354SS..Hα-helixtrans-63.3-39.5178-175.4160.4-174.300112.3V88 R92 T109 V113 F114 R115V88-E111 HydrophobicContact CG1-CG 4.43Å; R92-E111 IonicContact NH2-OE2 2.65Å; T109-E111 PolarHBondContact O-N 3.27Å; E111-V113 PolarHBondContact O-N 2.79Å; E111-F114 PolarHBondContact O-N 2.93Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 PolarHBondContact O-N 2.88Å
112Q92.5Very high91.9Very high90 Ų9064.7 Ų64.742%0.42133%0.33SS..Hα-helixtrans-66.1-36.5175.5-74.3170.8-33.500112.6W108 T109 E110 T116W108-Q112 VanDerWaalsContact CA-OE1 3.28Å; W108-Q112 HydrophobicContact CB-CB 4.18Å; W108-Q112 HydrophobicContact CG-CB 4.29Å; T109-Q112 PolarHBondContact O-N 3.22Å; T109-Q112 WeakPolarHBondContact OG1-CG 3.4Å; T109-Q112 PolarHBondContact OG1-N 3.41Å; T109-Q112 VanDerWaalsContact OG1-N 3.16Å; E110-Q112 PolarHBondContact O-N 3.1Å; Q112-T116 VanDerWaalsContact O-CB 3.32Å; Q112-T116 WeakPolarHBondContact O-CB 3.23Å; Q112-T116 PolarHBondContact O-N 3.37Å; Q112-T116 PolarHBondContact O-OG1 3.07Å
113V93.2Very high91.5Very high16 Ų1661.7 Ų61.710%0.09732%0.319CS..Hα-helixtrans-61.1-51.6175173.70000110.2A97 H100 W108 T109 E110 E111 F117A97-V113 HydrophobicContact CB-CB 4.18Å; A97-V113 HydrophobicContact CB-CG1 4.13Å; A97-V113 HydrophobicContact CB-CG2 4.31Å; H100-V113 HydrophobicContact CB-CG1 4.08Å; H100-V113 HydrophobicContact CB-CG2 4.11Å; W108-V113 HydrophobicContact CB-CG2 4.19Å; W108-V113 HydrophobicContact CE3-CG2 3.94Å; T109-V113 WeakPolarHBondContact O-CG2 3.48Å; T109-V113 PolarHBondContact O-N 2.89Å; T109-V113 VanDerWaalsContact O-N 3.12Å; E110-V113 WeakPolarHBondContact O-CB 3.42Å; E110-V113 PolarHBondContact O-N 2.99Å; E111-V113 PolarHBondContact O-N 2.79Å; V113-F117 PolarHBondContact O-N 3.45Å; V113-F117 VanDerWaalsContact O-N 3.11Å
114F92.8Very high91Very high7 Ų762.4 Ų62.43%0.03133%0.333CS..Hα-helixtrans-70.7-37.3-178.2-66.6-42.9000112.8V88 L91 R92 Y95 A97 E110 E111 F117 L118V88-F114 HydrophobicContact CB-CB 4.5Å; V88-F114 HydrophobicContact CG1-CB 3.89Å; V88-F114 HydrophobicContact CG1-CD2 4.13Å; V88-F114 HydrophobicContact CG1-CG 4.47Å; V88-F114 HydrophobicContact CG2-CB 4.31Å; L91-F114 HydrophobicContact CB-CB 4.42Å; L91-F114 HydrophobicContact CB-CD1 3.9Å; L91-F114 HydrophobicContact CB-CE1 4.35Å; L91-F114 HydrophobicContact CB-CG 4.1Å; L91-F114 HydrophobicContact CD1-CB 4.08Å; L91-F114 HydrophobicContact CD1-CD1 4.24Å; L91-F114 HydrophobicContact CD1-CG 4.45Å; R92-F114 HydrophobicContact CB-CE2 4.41Å; R92-F114 HydrophobicContact CG-CD2 3.95Å; R92-F114 HydrophobicContact CG-CE2 3.61Å; Y95-F114 WeakPolarHBondContact O-CZ 3.25Å; A97-F114 HydrophobicContact CB-CE1 4.46Å; A97-F114 HydrophobicContact CB-CE2 4.29Å; A97-F114 HydrophobicContact CB-CZ 4Å; E110-F114 HydrophobicContact CG-CD2 3.68Å; E110-F114 HydrophobicContact CG-CE2 3.29Å; E110-F114 HydrophobicContact CG-CZ 4.24Å; E110-F114 WeakPolarHBondContact O-CD2 3.38Å; E110-F114 PolarHBondContact O-N 2.85Å; E110-F114 VanDerWaalsContact O-N 3.11Å; E111-F114 PolarHBondContact O-N 2.93Å; F114-F117 WeakPolarHBondContact O-CB 3.15Å; F114-F117 PolarHBondContact O-N 2.95Å; F114-L118 PolarHBondContact O-N 3.14Å
115R91.3Very high90.3Very high86 Ų8660.7 Ų60.733%0.32532%0.322SS..Hα-helixtrans-61.9-47.3175.5-179.854.8-174-123.29.3111.3E111 F117 L118 D119 D122 G129E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 PolarHBondContact O-N 2.88Å; R115-F117 PolarHBondContact O-N 2.86Å; R115-L118 PolarHBondContact O-N 2.89Å; R115-L118 VanDerWaalsContact O-N 3.09Å; R115-D119 IonicContact CZ-OD1 3.9Å; R115-D119 IonicContact NE-OD1 3.75Å; R115-D119 PolarHBondContact NE-OD1 3.08Å; R115-D119 IonicContact NH2-OD1 2.98Å; R115-D119 PolarHBondContact O-N 3.41Å; R115-D122 IonicContact NH2-OD2 3.83Å; R115-G129 VanDerWaalsContact NH2-N 3.19Å
116T90.9Very high89.8Confident64 Ų6461.5 Ų61.539%0.39333%0.327SS..Hα-helixtrans-61.2-33.2176.7-54.80000111.9W108 Q112W108-T116 HydrophobicContact CH2-CG2 3.91Å; W108-T116 HydrophobicContact CZ3-CG2 4.28Å; Q112-T116 VanDerWaalsContact O-CB 3.32Å; Q112-T116 WeakPolarHBondContact O-CB 3.23Å; Q112-T116 PolarHBondContact O-N 3.37Å; Q112-T116 PolarHBondContact O-OG1 3.07Å
117F91.2Very high89.5Confident70 Ų7064.9 Ų64.931%0.30732%0.323SS..Hα-helixtrans-67.1-46.3173.5177.1-89.8000111.9L91 Y95 V113 F114 R115 D119 S120 F121 W161L91-F117 HydrophobicContact CD1-CD1 3.52Å; L91-F117 HydrophobicContact CD1-CE1 4.07Å; L91-F117 HydrophobicContact CD1-CG 4.46Å; L91-F117 HydrophobicContact CD2-CD1 4.3Å; L91-F117 HydrophobicContact CD2-CE1 3.99Å; Y95-F117 HydrophobicContact CE2-CZ 4.49Å; V113-F117 PolarHBondContact O-N 3.45Å; V113-F117 VanDerWaalsContact O-N 3.11Å; F114-F117 WeakPolarHBondContact O-CB 3.15Å; F114-F117 PolarHBondContact O-N 2.95Å; R115-F117 PolarHBondContact O-N 2.86Å; F117-D119 VanDerWaalsContact C-N 3.33Å; F117-D119 PolarHBondContact O-N 3.28Å; F117-S120 WeakPolarHBondContact O-CB 3.3Å; F117-S120 PolarHBondContact O-N 3.39Å; F117-S120 PolarHBondContact O-OG 3.38Å; F117-F121 HydrophobicContact CD1-CE2 4.17Å; F117-F121 HydrophobicContact CE1-CD2 4.41Å; F117-F121 AromaticContact CE1-CE2 3.67Å; F117-F121 HydrophobicContact CE1-CE2 3.67Å; F117-F121 HydrophobicContact CE2-CE2 4.19Å; F117-F121 AromaticContact CZ-CE2 3.69Å; F117-F121 HydrophobicContact CZ-CE2 3.69Å; F117-F121 HydrophobicContact CZ-CZ 4.19Å; F117-F121 WeakPolarHBondContact O-CD2 3.41Å; F117-W161 AromaticContact CZ-CH2 3.86Å; F117-W161 HydrophobicContact CZ-CH2 3.86Å; F117-W161 HydrophobicContact CZ-CZ3 4.05Å
118L92.1Very high89.1Confident2 Ų262.7 Ų62.71%0.0132%0.315CS..Hα-helixtrans-63.5-38.7176.6-69.2174.6000112.3I86 V88 L91 F114 R115 S120 F121 D122 V131I86-L118 HydrophobicContact CB-CD2 4.41Å; I86-L118 HydrophobicContact CG2-CD2 3.8Å; V88-L118 HydrophobicContact CG2-CD1 3.82Å; L91-L118 HydrophobicContact CD1-CD1 4.08Å; L91-L118 HydrophobicContact CD1-CD2 3.58Å; L91-L118 HydrophobicContact CD1-CG 3.57Å; L91-L118 HydrophobicContact CG-CD2 4.2Å; F114-L118 PolarHBondContact O-N 3.14Å; R115-L118 PolarHBondContact O-N 2.89Å; R115-L118 VanDerWaalsContact O-N 3.09Å; L118-S120 PolarHBondContact O-N 2.81Å; L118-F121 PolarHBondContact O-N 3.03Å; L118-D122 PolarHBondContact O-N 3.46Å; L118-V131 HydrophobicContact CB-CG2 4.11Å; L118-V131 HydrophobicContact CD2-CG2 3.75Å; L118-V131 HydrophobicContact CG-CG2 4.5Å
119D90.7Very high88.8Confident55 Ų5559.8 Ų59.829%0.29431%0.306SS..THydrogen-bonded Turntrans-57.6-18.3177.2-69-19.2000113R115 F117 F121R115-D119 IonicContact CZ-OD1 3.9Å; R115-D119 IonicContact NE-OD1 3.75Å; R115-D119 PolarHBondContact NE-OD1 3.08Å; R115-D119 IonicContact NH2-OD1 2.98Å; R115-D119 PolarHBondContact O-N 3.41Å; F117-D119 VanDerWaalsContact C-N 3.33Å; F117-D119 PolarHBondContact O-N 3.28Å; D119-F121 VanDerWaalsContact C-N 3.32Å
120S88.8Confident88.7Confident58 Ų5860.8 Ų60.841%0.40630%0.304SS..THydrogen-bonded Turntrans-76.2-18.5174.674.50000113.9F117 L118 Y139F117-S120 WeakPolarHBondContact O-CB 3.3Å; F117-S120 PolarHBondContact O-N 3.39Å; F117-S120 PolarHBondContact O-OG 3.38Å; L118-S120 PolarHBondContact O-N 2.81Å; S120-Y139 WeakPolarHBondContact O-CD2 3.35Å; S120-Y139 WeakPolarHBondContact O-CE2 3.4Å
121F89.9Confident88.9Confident16 Ų1657.7 Ų57.77%0.0729%0.29CS..THydrogen-bonded Turntrans-111.4-27.3178-56.3-83.1000112.9F117 L118 D119 V131 F136 Y139 Y140 W161F117-F121 HydrophobicContact CD1-CE2 4.17Å; F117-F121 HydrophobicContact CE1-CD2 4.41Å; F117-F121 AromaticContact CE1-CE2 3.67Å; F117-F121 HydrophobicContact CE1-CE2 3.67Å; F117-F121 HydrophobicContact CE2-CE2 4.19Å; F117-F121 AromaticContact CZ-CE2 3.69Å; F117-F121 HydrophobicContact CZ-CE2 3.69Å; F117-F121 HydrophobicContact CZ-CZ 4.19Å; F117-F121 WeakPolarHBondContact O-CD2 3.41Å; L118-F121 PolarHBondContact O-N 3.03Å; D119-F121 VanDerWaalsContact C-N 3.32Å; F121-V131 HydrophobicContact CB-CB 4.44Å; F121-V131 HydrophobicContact CB-CG1 3.71Å; F121-V131 HydrophobicContact CB-CG2 3.83Å; F121-F136 HydrophobicContact CB-CD2 4.46Å; F121-F136 AromaticContact CD1-CD2 3.75Å; F121-F136 HydrophobicContact CD1-CD2 3.75Å; F121-F136 AromaticContact CD1-CE2 3.79Å; F121-F136 HydrophobicContact CD1-CE2 3.79Å; F121-F136 HydrophobicContact CE1-CD2 4.21Å; F121-F136 AromaticContact CE1-CE2 3.77Å; F121-F136 HydrophobicContact CE1-CE2 3.77Å; F121-F136 HydrophobicContact CG-CD2 4.15Å; F121-F136 HydrophobicContact CG-CE2 4.33Å; F121-F136 HydrophobicContact CZ-CE2 4.3Å; F121-Y139 AromaticContact CD1-CD1 3.61Å; F121-Y139 HydrophobicContact CD1-CD1 3.61Å; F121-Y139 HydrophobicContact CD1-CD2 4.22Å; F121-Y139 AromaticContact CD1-CE1 3.94Å; F121-Y139 HydrophobicContact CD1-CE1 3.94Å; F121-Y139 HydrophobicContact CD1-CE2 4.49Å; F121-Y139 AromaticContact CD1-CG 3.78Å; F121-Y139 HydrophobicContact CD1-CG 3.78Å; F121-Y139 AromaticContact CE1-CD1 3.72Å; F121-Y139 HydrophobicContact CE1-CD1 3.72Å; F121-Y139 AromaticContact CE1-CE1 3.62Å; F121-Y139 HydrophobicContact CE1-CE1 3.62Å; F121-Y139 HydrophobicContact CE1-CG 4.33Å; F121-Y140 AromaticContact CE1-CE2 4Å; F121-Y140 HydrophobicContact CE1-CE2 4Å; F121-W161 HydrophobicContact CE1-CH2 4.37Å; F121-W161 HydrophobicContact CE1-CZ2 4.08Å; F121-W161 HydrophobicContact CE2-CH2 4.31Å; F121-W161 AromaticContact CZ-CH2 3.7Å; F121-W161 HydrophobicContact CZ-CH2 3.7Å; F121-W161 AromaticContact CZ-CZ2 3.8Å; F121-W161 HydrophobicContact CZ-CZ2 3.8Å
122D89.2Confident89Confident9 Ų953.9 Ų53.95%0.04828%0.275CS..SBendtrans-55.1143.4176.8-166-7.4000111.1R115 L118 K127 G129R115-D122 IonicContact NH2-OD2 3.83Å; L118-D122 PolarHBondContact O-N 3.46Å; D122-K127 WeakPolarHBondContact OD2-CA 3.4Å; D122-G129 WeakPolarHBondContact OD2-CA 3.48Å; D122-G129 PolarHBondContact OD2-N 2.91Å
123S83.1Confident89Confident20 Ų2054.1 Ų54.114%0.1428%0.275CS..  trans-62.4135.5-178.8-179.80000110.9Y125 D126 K127 E135S123-Y125 PolarHBondContact O-N 3.45Å; S123-Y125 PolarHBondContact OG-N 3.28Å; S123-D126 CarbonylContact O-C 3.6Å; S123-D126 PolarHBondContact O-N 2.85Å; S123-D126 PolarHBondContact OG-N 3.07Å; S123-K127 WeakPolarHBondContact O-CG 3.36Å; S123-E135 WeakPolarHBondContact CB-OE1 3.25Å; S123-E135 PolarHBondContact N-OE1 2.9Å
124P80.6Confident88.9Confident94 Ų9460.9 Ų60.961%0.6131%0.305SS*.SBendtrans-65.9-19.8171.528.3-33.2000112.3
125Y78.8Confident88.8Confident94 Ų9461.7 Ų61.737%0.36931%0.309SS..SBendtrans-94-22.6-177.8-51.9-77.6000113.1D45 S123D45-Y125 HydrophobicContact CB-CD1 4.06Å; S123-Y125 PolarHBondContact O-N 3.45Å; S123-Y125 PolarHBondContact OG-N 3.28Å
126D82Confident89Confident104 Ų10457.6 Ų57.656%0.55629%0.294SS*.  trans-139.574.8-178.5-172.919.3000110.6S123 D128S123-D126 CarbonylContact O-C 3.6Å; S123-D126 PolarHBondContact O-N 2.85Å; S123-D126 PolarHBondContact OG-N 3.07Å; D126-D128 VanDerWaalsContact C-N 3.32Å; D126-D128 PolarHBondContact O-N 2.91Å
127K84.9Confident89Confident134 Ų13456.8 Ų56.858%0.58329%0.287SS*.  trans-79.278.1-178.9-71-163174.6-161.20111.9D122 S123D122-K127 WeakPolarHBondContact OD2-CA 3.4Å; S123-K127 WeakPolarHBondContact O-CG 3.36Å
128D88.6Confident88.9Confident76 Ų7655.5 Ų55.541%0.40628%0.283SS..  trans-89.3-13.8177.786.6-19000112.4D126 K130D126-D128 VanDerWaalsContact C-N 3.32Å; D126-D128 PolarHBondContact O-N 2.91Å; D128-K130 VanDerWaalsContact C-N 3.34Å; D128-K130 WeakPolarHBondContact OD1-CA 3.46Å; D128-K130 WeakPolarHBondContact OD1-CB 3.21Å; D128-K130 PolarHBondContact OD1-N 3.4Å
129G87.8Confident88.8Confident6 Ų659.9 Ų59.96%0.06230%0.3CS..SBendtrans83.19.9-178.600000117.7R115 D122R115-G129 VanDerWaalsContact NH2-N 3.19Å; D122-G129 WeakPolarHBondContact OD2-CA 3.48Å; D122-G129 PolarHBondContact OD2-N 2.91Å
130K91.8Very high88.9Confident98 Ų9858 Ų5843%0.42629%0.289SS..  trans-113.6167.7170.8-53.2178.7-175.9174.80105.9V85 I86 T87 D128V85-K130 HydrophobicContact CB-CB 4.49Å; V85-K130 HydrophobicContact CG2-CD 4.48Å; I86-K130 WeakPolarHBondContact O-CA 3.49Å; T87-K130 HydrophobicContact CG2-CD 4.48Å; T87-K130 HydrophobicContact CG2-CG 4.28Å; D128-K130 VanDerWaalsContact C-N 3.34Å; D128-K130 WeakPolarHBondContact OD1-CA 3.46Å; D128-K130 WeakPolarHBondContact OD1-CB 3.21Å; D128-K130 PolarHBondContact OD1-N 3.4Å
131V94.8Very high89Confident0 Ų056.1 Ų56.10%028%0.276CS..EExtended strand (participates in β ladder)trans-129.6107.3175.9-179.30000107.4I86 L118 F121 E135 F136I86-V131 HydrophobicContact CB-CB 4.25Å; I86-V131 PolarHBondContact N-O 3.31Å; I86-V131 PolarHBondContact O-N 3.35Å; L118-V131 HydrophobicContact CB-CG2 4.11Å; L118-V131 HydrophobicContact CD2-CG2 3.75Å; L118-V131 HydrophobicContact CG-CG2 4.5Å; F121-V131 HydrophobicContact CB-CB 4.44Å; F121-V131 HydrophobicContact CB-CG1 3.71Å; F121-V131 HydrophobicContact CB-CG2 3.83Å; V131-E135 HydrophobicContact CG1-CB 4.24Å; V131-F136 HydrophobicContact CG1-CB 3.96Å; V131-F136 HydrophobicContact CG1-CD2 4.07Å
132S94.4Very high88.8Confident32 Ų3256.8 Ų56.822%0.22429%0.287CS..EExtended strand (participates in β ladder)trans-72.3164.9172.769.10000111.4E134 E135 F136S132-E134 PolarHBondContact O-N 2.79Å; S132-E135 VanDerWaalsContact CB-OE2 3.31Å; S132-E135 WeakPolarHBondContact CB-OE2 3.24Å; S132-E135 PolarHBondContact N-OE2 2.85Å; S132-E135 PolarHBondContact O-N 2.77Å; S132-E135 VanDerWaalsContact OG-CG 3.29Å; S132-E135 WeakPolarHBondContact OG-CG 3.04Å; S132-E135 PolarHBondContact OG-N 3.29Å; S132-E135 PolarHBondContact OG-OE2 3.19Å; S132-F136 WeakPolarHBondContact O-CB 3.39Å; S132-F136 PolarHBondContact O-N 3.38Å
133K92.9Very high88.8Confident95 Ų9558.2 Ų58.241%0.41330%0.297SS..Hα-helixtrans-56.6-38173.4-67.4170.7-173.8164.10111.8M72 F75 L137M72-K133 HydrophobicContact CE-CB 4.48Å; M72-K133 HydrophobicContact CE-CD 4.03Å; M72-K133 HydrophobicContact CE-CG 4.1Å; F75-K133 HydrophobicContact CD1-CG 3.86Å; F75-K133 HydrophobicContact CD2-CG 4.3Å; F75-K133 HydrophobicContact CE1-CD 4.22Å; F75-K133 HydrophobicContact CE1-CG 3.43Å; F75-K133 VanDerWaalsContact CE1-CG 3.43Å; F75-K133 HydrophobicContact CE2-CB 4.4Å; F75-K133 HydrophobicContact CE2-CG 3.89Å; F75-K133 HydrophobicContact CG-CG 4.29Å; F75-K133 HydrophobicContact CZ-CB 4.38Å; F75-K133 HydrophobicContact CZ-CG 3.45Å; F75-K133 VanDerWaalsContact CZ-CG 3.45Å; K133-L137 VanDerWaalsContact O-CB 3.29Å; K133-L137 WeakPolarHBondContact O-CB 3.35Å; K133-L137 WeakPolarHBondContact O-CD1 3.42Å; K133-L137 VanDerWaalsContact O-CG 3.25Å; K133-L137 WeakPolarHBondContact O-CG 3.4Å; K133-L137 PolarHBondContact O-N 3Å
134E90.1Very high89.1Confident158 Ų15857.8 Ų57.874%0.73829%0.293SS*.Hα-helixtrans-69.8-43-177.1-64.9-173.9177.600111.3S132 L137 N138S132-E134 PolarHBondContact O-N 2.79Å; E134-L137 PolarHBondContact O-N 2.97Å; E134-N138 VanDerWaalsContact O-CB 3.23Å; E134-N138 WeakPolarHBondContact O-CB 3.42Å; E134-N138 PolarHBondContact O-N 3.49Å
135E91.8Very high89.4Confident24 Ų2455.8 Ų55.811%0.11229%0.285CS..Hα-helixtrans-64.4-46.6176.4-70.4166.7127.300111.7S123 V131 S132 L137 N138 Y139S123-E135 WeakPolarHBondContact CB-OE1 3.25Å; S123-E135 PolarHBondContact N-OE1 2.9Å; V131-E135 HydrophobicContact CG1-CB 4.24Å; S132-E135 VanDerWaalsContact CB-OE2 3.31Å; S132-E135 WeakPolarHBondContact CB-OE2 3.24Å; S132-E135 PolarHBondContact N-OE2 2.85Å; S132-E135 PolarHBondContact O-N 2.77Å; S132-E135 VanDerWaalsContact OG-CG 3.29Å; S132-E135 WeakPolarHBondContact OG-CG 3.04Å; S132-E135 PolarHBondContact OG-N 3.29Å; S132-E135 PolarHBondContact OG-OE2 3.19Å; E135-L137 VanDerWaalsContact C-N 3.33Å; E135-L137 PolarHBondContact O-N 3.42Å; E135-N138 PolarHBondContact O-N 3.07Å; E135-N138 VanDerWaalsContact O-N 3.14Å; E135-Y139 PolarHBondContact O-N 3.19Å
136F93.8Very high89.7Confident1 Ų155.7 Ų55.70%0.00430%0.298CS..Hα-helixtrans-60.8-43177.1-161.5-103.2000111.8V71 A74 F75 L78 I86 F121 V131 S132 Y140 W161V71-F136 HydrophobicContact CG1-CD1 3.63Å; V71-F136 HydrophobicContact CG1-CE1 3.84Å; V71-F136 WeakPolarHBondContact O-CE1 3.3Å; A74-F136 HydrophobicContact CB-CE1 4.14Å; A74-F136 HydrophobicContact CB-CZ 4.28Å; F75-F136 HydrophobicContact CB-CD1 3.97Å; F75-F136 HydrophobicContact CB-CE1 4.1Å; F75-F136 HydrophobicContact CD2-CB 3.77Å; F75-F136 AromaticContact CD2-CD1 3.96Å; F75-F136 HydrophobicContact CD2-CD1 3.96Å; F75-F136 HydrophobicContact CD2-CD2 4.5Å; F75-F136 AromaticContact CD2-CG 3.85Å; F75-F136 HydrophobicContact CD2-CG 3.85Å; F75-F136 HydrophobicContact CE2-CB 4.24Å; F75-F136 HydrophobicContact CG-CD1 4.49Å; L78-F136 HydrophobicContact CD1-CE2 3.96Å; L78-F136 HydrophobicContact CD1-CZ 4.01Å; I86-F136 HydrophobicContact CD1-CD2 4.28Å; I86-F136 HydrophobicContact CD1-CE2 4.41Å; F121-F136 HydrophobicContact CB-CD2 4.46Å; F121-F136 AromaticContact CD1-CD2 3.75Å; F121-F136 HydrophobicContact CD1-CD2 3.75Å; F121-F136 AromaticContact CD1-CE2 3.79Å; F121-F136 HydrophobicContact CD1-CE2 3.79Å; F121-F136 HydrophobicContact CE1-CD2 4.21Å; F121-F136 AromaticContact CE1-CE2 3.77Å; F121-F136 HydrophobicContact CE1-CE2 3.77Å; F121-F136 HydrophobicContact CG-CD2 4.15Å; F121-F136 HydrophobicContact CG-CE2 4.33Å; F121-F136 HydrophobicContact CZ-CE2 4.3Å; V131-F136 HydrophobicContact CG1-CB 3.96Å; V131-F136 HydrophobicContact CG1-CD2 4.07Å; S132-F136 WeakPolarHBondContact O-CB 3.39Å; S132-F136 PolarHBondContact O-N 3.38Å; F136-Y140 AromaticContact CD1-CD2 3.92Å; F136-Y140 HydrophobicContact CD1-CD2 3.92Å; F136-Y140 HydrophobicContact CD1-CE2 4.15Å; F136-Y140 HydrophobicContact CD2-CE2 4.4Å; F136-Y140 AromaticContact CE1-CD2 3.73Å; F136-Y140 HydrophobicContact CE1-CD2 3.73Å; F136-Y140 AromaticContact CE1-CE2 3.58Å; F136-Y140 HydrophobicContact CE1-CE2 3.58Å; F136-Y140 HydrophobicContact CE2-CD2 4.48Å; F136-Y140 AromaticContact CE2-CE2 3.86Å; F136-Y140 HydrophobicContact CE2-CE2 3.86Å; F136-Y140 HydrophobicContact CG-CD2 4.39Å; F136-Y140 HydrophobicContact CZ-CD2 4.06Å; F136-Y140 AromaticContact CZ-CE2 3.43Å; F136-Y140 HydrophobicContact CZ-CE2 3.43Å; F136-Y140 VanDerWaalsContact CZ-CE2 3.43Å; F136-Y140 WeakPolarHBondContact O-CD2 3.43Å; F136-Y140 PolarHBondContact O-N 3.2Å; F136-Y140 VanDerWaalsContact O-N 3.11Å; F136-W161 HydrophobicContact CE2-CH2 4.16Å; F136-W161 AromaticContact CE2-CZ2 3.88Å; F136-W161 HydrophobicContact CE2-CZ2 3.88Å; F136-W161 HydrophobicContact CZ-CH2 4.16Å; F136-W161 AromaticContact CZ-CZ2 3.58Å; F136-W161 HydrophobicContact CZ-CZ2 3.58Å
137L91.8Very high90.1Very high46 Ų4652 Ų5224%0.24128%0.278CS..Hα-helixtrans-65-40.5174.3-79.7168.6000112.2M63 V71 M72 K133 E134 E135 Y140 S141M63-L137 HydrophobicContact CE-CB 4.47Å; M63-L137 HydrophobicContact CE-CD2 3.76Å; M63-L137 WeakPolarHBondContact CE-O 3.29Å; V71-L137 HydrophobicContact CB-CD2 4.23Å; V71-L137 HydrophobicContact CG1-CD2 3.77Å; V71-L137 HydrophobicContact CG1-CG 4.43Å; M72-L137 HydrophobicContact SD-CD1 3.91Å; M72-L137 HydrophobicContact SD-CD2 4.13Å; M72-L137 HydrophobicContact SD-CG 4.07Å; K133-L137 VanDerWaalsContact O-CB 3.29Å; K133-L137 WeakPolarHBondContact O-CB 3.35Å; K133-L137 WeakPolarHBondContact O-CD1 3.42Å; K133-L137 VanDerWaalsContact O-CG 3.25Å; K133-L137 WeakPolarHBondContact O-CG 3.4Å; K133-L137 PolarHBondContact O-N 3Å; E134-L137 PolarHBondContact O-N 2.97Å; E135-L137 VanDerWaalsContact C-N 3.33Å; E135-L137 PolarHBondContact O-N 3.42Å; L137-Y140 PolarHBondContact O-N 3.43Å; L137-S141 WeakPolarHBondContact O-CB 3.43Å; L137-S141 PolarHBondContact O-N 3.29Å
138N88.6Confident90.2Very high44 Ų4453.5 Ų53.524%0.23529%0.292CS..Hα-helixtrans-65.3-42.1179.9-178.348.3000111.9R60 E134 E135 S141 G142R60-N138 PolarHBondContact NH1-O 3.39Å; R60-N138 PolarHBondContact NH2-OD1 3.46Å; E134-N138 VanDerWaalsContact O-CB 3.23Å; E134-N138 WeakPolarHBondContact O-CB 3.42Å; E134-N138 PolarHBondContact O-N 3.49Å; E135-N138 PolarHBondContact O-N 3.07Å; E135-N138 VanDerWaalsContact O-N 3.14Å; N138-S141 WeakPolarHBondContact O-CB 3.38Å; N138-S141 PolarHBondContact O-N 3.18Å; N138-G142 PolarHBondContact O-N 2.87Å
139Y91.1Very high90.3Very high93 Ų9352.7 Ų52.737%0.36529%0.293SS..Hα-helixtrans-56.7-54.3171.7177-90.8000110.6S120 F121 E135 S141 G142 V143S120-Y139 WeakPolarHBondContact O-CD2 3.35Å; S120-Y139 WeakPolarHBondContact O-CE2 3.4Å; F121-Y139 AromaticContact CD1-CD1 3.61Å; F121-Y139 HydrophobicContact CD1-CD1 3.61Å; F121-Y139 HydrophobicContact CD1-CD2 4.22Å; F121-Y139 AromaticContact CD1-CE1 3.94Å; F121-Y139 HydrophobicContact CD1-CE1 3.94Å; F121-Y139 HydrophobicContact CD1-CE2 4.49Å; F121-Y139 AromaticContact CD1-CG 3.78Å; F121-Y139 HydrophobicContact CD1-CG 3.78Å; F121-Y139 AromaticContact CE1-CD1 3.72Å; F121-Y139 HydrophobicContact CE1-CD1 3.72Å; F121-Y139 AromaticContact CE1-CE1 3.62Å; F121-Y139 HydrophobicContact CE1-CE1 3.62Å; F121-Y139 HydrophobicContact CE1-CG 4.33Å; E135-Y139 PolarHBondContact O-N 3.19Å; Y139-S141 VanDerWaalsContact C-N 3.28Å; Y139-S141 PolarHBondContact O-N 2.87Å; Y139-G142 PolarHBondContact O-N 3.14Å; Y139-V143 HydrophobicContact CD1-CG2 4.41Å; Y139-V143 HydrophobicContact CE1-CG2 3.97Å; Y139-V143 PolarHBondContact O-N 2.79Å
140Y92.6Very high90.5Very high15 Ų1555.1 Ų55.16%0.05930%0.304CS..Hα-helixtrans-70.2-21.8-179.2-84.6-64.7000114.2V71 F121 F136 L137 G142 V143 S144 F153 M157 W161V71-Y140 HydrophobicContact CG1-CD2 3.81Å; V71-Y140 HydrophobicContact CG1-CG 4.12Å; V71-Y140 HydrophobicContact CG2-CD2 4.33Å; V71-Y140 HydrophobicContact CG2-CG 3.93Å; F121-Y140 AromaticContact CE1-CE2 4Å; F121-Y140 HydrophobicContact CE1-CE2 4Å; F136-Y140 AromaticContact CD1-CD2 3.92Å; F136-Y140 HydrophobicContact CD1-CD2 3.92Å; F136-Y140 HydrophobicContact CD1-CE2 4.15Å; F136-Y140 HydrophobicContact CD2-CE2 4.4Å; F136-Y140 AromaticContact CE1-CD2 3.73Å; F136-Y140 HydrophobicContact CE1-CD2 3.73Å; F136-Y140 AromaticContact CE1-CE2 3.58Å; F136-Y140 HydrophobicContact CE1-CE2 3.58Å; F136-Y140 HydrophobicContact CE2-CD2 4.48Å; F136-Y140 AromaticContact CE2-CE2 3.86Å; F136-Y140 HydrophobicContact CE2-CE2 3.86Å; F136-Y140 HydrophobicContact CG-CD2 4.39Å; F136-Y140 HydrophobicContact CZ-CD2 4.06Å; F136-Y140 AromaticContact CZ-CE2 3.43Å; F136-Y140 HydrophobicContact CZ-CE2 3.43Å; F136-Y140 VanDerWaalsContact CZ-CE2 3.43Å; F136-Y140 WeakPolarHBondContact O-CD2 3.43Å; F136-Y140 PolarHBondContact O-N 3.2Å; F136-Y140 VanDerWaalsContact O-N 3.11Å; L137-Y140 PolarHBondContact O-N 3.43Å; Y140-G142 PolarHBondContact O-N 2.78Å; Y140-V143 HydrophobicContact CD1-CB 4.23Å; Y140-V143 HydrophobicContact CD1-CG2 4.39Å; Y140-V143 PolarHBondContact O-N 3.02Å; Y140-S144 WeakPolarHBondContact O-CA 3.44Å; Y140-S144 WeakPolarHBondContact O-CB 3.31Å; Y140-S144 PolarHBondContact O-N 2.66Å; Y140-F153 HydrophobicContact CD1-CE2 4.44Å; Y140-F153 HydrophobicContact CD1-CZ 4.17Å; Y140-M157 HydrophobicContact CD1-CE 4.21Å; Y140-M157 HydrophobicContact CD1-SD 3.59Å; Y140-M157 VanDerWaalsContact CD1-SD 3.59Å; Y140-M157 HydrophobicContact CD2-CE 4.27Å; Y140-M157 HydrophobicContact CE1-CE 3.99Å; Y140-M157 HydrophobicContact CE1-SD 3.18Å; Y140-M157 WeakPolarHBondContact CE1-SD 3.48Å; Y140-M157 HydrophobicContact CE2-CE 4.02Å; Y140-M157 HydrophobicContact CE2-SD 4.29Å; Y140-M157 HydrophobicContact CG-CE 4.36Å; Y140-M157 HydrophobicContact CG-SD 4.32Å; Y140-M157 VanDerWaalsContact CZ-SD 3.58Å; Y140-W161 HydrophobicContact CE2-CZ2 4.1Å; Y140-W161 AromaticContact CE2-NE1 3.99Å; Y140-W161 AromaticContact CZ-NE1 3.55Å; Y140-W161 WeakPolarHBondContact OH-CZ2 3.02Å; Y140-W161 PolarHBondContact OH-NE1 3.39Å
141S89.9Confident90.6Very high19 Ų1953.9 Ų53.913%0.13331%0.312CS..Hα-helixtrans-63.1-30.9169.5-167.80000111.3R60 L137 N138 Y139 A145R60-S141 VanDerWaalsContact NH1-C 3.34Å; L137-S141 WeakPolarHBondContact O-CB 3.43Å; L137-S141 PolarHBondContact O-N 3.29Å; N138-S141 WeakPolarHBondContact O-CB 3.38Å; N138-S141 PolarHBondContact O-N 3.18Å; Y139-S141 VanDerWaalsContact C-N 3.28Å; Y139-S141 PolarHBondContact O-N 2.87Å; S141-A145 WeakPolarHBondContact O-CB 3.39Å; S141-A145 PolarHBondContact O-N 3.48Å; S141-A145 VanDerWaalsContact O-N 3.08Å
142G86.8Confident90.5Very high30 Ų3060.8 Ų60.831%0.30934%0.339SS..Hα-helixtrans-73.2-49.2177.300000111.1N138 Y139 Y140 S144 A145 S146N138-G142 PolarHBondContact O-N 2.87Å; Y139-G142 PolarHBondContact O-N 3.14Å; Y140-G142 PolarHBondContact O-N 2.78Å; G142-S144 VanDerWaalsContact C-N 3.27Å; G142-S144 PolarHBondContact O-N 2.8Å; G142-A145 PolarHBondContact O-N 3.43Å; G142-S146 PolarHBondContact O-N 2.96Å
143V88.7Confident90.5Very high40 Ų4059.2 Ų59.224%0.24233%0.328CS..Hα-helixtrans-61.4-37.3174.2-176.70000111.4Y139 Y140 S146 I147 F153 M156Y139-V143 HydrophobicContact CD1-CG2 4.41Å; Y139-V143 HydrophobicContact CE1-CG2 3.97Å; Y139-V143 PolarHBondContact O-N 2.79Å; Y140-V143 HydrophobicContact CD1-CB 4.23Å; Y140-V143 HydrophobicContact CD1-CG2 4.39Å; Y140-V143 PolarHBondContact O-N 3.02Å; V143-S146 PolarHBondContact O-N 3.36Å; V143-S146 PolarHBondContact O-OG 3.46Å; V143-I147 HydrophobicContact CG1-CD1 4.23Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-F153 HydrophobicContact CG1-CE2 4.45Å; V143-M156 HydrophobicContact CG1-CE 3.58Å
144S89.6Confident90.6Very high10 Ų1056.3 Ų56.37%0.0732%0.317CS..Hα-helixtrans-65.9-40.2176.91760000111.6R67 Y140 G142 S146 I147R67-S144 WeakPolarHBondContact CD-OG 3.17Å; R67-S144 PolarHBondContact NH1-O 3.4Å; R67-S144 PolarHBondContact NH1-OG 2.89Å; Y140-S144 WeakPolarHBondContact O-CA 3.44Å; Y140-S144 WeakPolarHBondContact O-CB 3.31Å; Y140-S144 PolarHBondContact O-N 2.66Å; G142-S144 VanDerWaalsContact C-N 3.27Å; G142-S144 PolarHBondContact O-N 2.8Å; S144-S146 PolarHBondContact O-N 3.38Å; S144-I147 PolarHBondContact O-N 3.36Å; S144-I147 VanDerWaalsContact O-O 3.12Å
145A86.3Confident90.8Very high52 Ų5253.4 Ų53.443%0.4331%0.306SS..Hα-helixtrans-65.5-21-17900000113.3R60 S141 G142R60-A145 HydrophobicContact CG-CB 4.26Å; S141-A145 WeakPolarHBondContact O-CB 3.39Å; S141-A145 PolarHBondContact O-N 3.48Å; S141-A145 VanDerWaalsContact O-N 3.08Å; G142-A145 PolarHBondContact O-N 3.43Å
146S86.5Confident91Very high93 Ų9354.6 Ų54.665%0.6531%0.312SS*.THydrogen-bonded Turntrans-91.50.8174.464.70000114.1G142 V143 S144G142-S146 PolarHBondContact O-N 2.96Å; V143-S146 PolarHBondContact O-N 3.36Å; V143-S146 PolarHBondContact O-OG 3.46Å; S144-S146 PolarHBondContact O-N 3.38Å
147I89Confident91.1Very high26 Ų2654.6 Ų54.613%0.13331%0.312CS..  trans-119.7116.2-178-65.9177.5000110.5R67 V143 S144 S149 Y152 F153 M156R67-I147 VanDerWaalsContact CZ-O 3.32Å; R67-I147 PolarHBondContact NH1-O 3.12Å; R67-I147 PolarHBondContact NH2-O 3.34Å; V143-I147 HydrophobicContact CG1-CD1 4.23Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; S144-I147 PolarHBondContact O-N 3.36Å; S144-I147 VanDerWaalsContact O-O 3.12Å; I147-S149 WeakPolarHBondContact CG2-O 3.33Å; I147-Y152 HydrophobicContact CD1-CD1 4.12Å; I147-Y152 HydrophobicContact CD1-CE1 4.11Å; I147-Y152 HydrophobicContact CG1-CD1 4.39Å; I147-Y152 HydrophobicContact CG1-CE1 4.49Å; I147-Y152 HydrophobicContact CG2-CD1 3.68Å; I147-F153 HydrophobicContact CD1-CD2 4.01Å; I147-F153 HydrophobicContact CG2-CB 3.92Å; I147-M156 HydrophobicContact CD1-CE 3.55Å
148D86.9Confident91.2Very high165 Ų16558.5 Ų58.588%0.88232%0.324SS*.  trans-71.2-36.1-176.5-60.5-38.9000113.3R67R67-D148 PolarHBondContact NH2-O 2.87Å
149S91.4Very high91.5Very high60 Ų6060.9 Ų60.942%0.4234%0.336SS..  trans-102.5125-172.6175.90000113R67 I147 A151 Y152 F153R67-S149 VanDerWaalsContact NH2-C 3.29Å; I147-S149 WeakPolarHBondContact CG2-O 3.33Å; S149-A151 VanDerWaalsContact C-N 3.26Å; S149-A151 PolarHBondContact O-N 2.91Å; S149-A151 PolarHBondContact OG-N 3.06Å; S149-Y152 PolarHBondContact O-N 3.19Å; S149-Y152 PolarHBondContact OG-N 3.3Å; S149-F153 PolarHBondContact O-N 3.41Å
150D91.5Very high91.5Very high57 Ų5759.2 Ų59.231%0.30534%0.342SS..Hα-helixtrans-57.5-40.7172.7-79.324.1000111.7S64 R67 Y152 F153 I154S64-D150 VanDerWaalsContact CB-OD2 3.28Å; S64-D150 WeakPolarHBondContact CB-OD2 3.25Å; S64-D150 PolarHBondContact OG-OD2 3.48Å; R67-D150 IonicContact CZ-OD1 2.72Å; R67-D150 IonicContact NE-OD1 2.78Å; R67-D150 PolarHBondContact NE-OD1 3.09Å; R67-D150 IonicContact NH2-OD1 2.62Å; R67-D150 PolarHBondContact NH2-OD1 2.87Å; D150-Y152 VanDerWaalsContact C-N 3.32Å; D150-Y152 PolarHBondContact O-N 3.4Å; D150-F153 PolarHBondContact O-N 2.9Å; D150-I154 WeakPolarHBondContact O-CB 3.33Å; D150-I154 WeakPolarHBondContact O-CD1 3.42Å; D150-I154 WeakPolarHBondContact O-CG1 3.49Å; D150-I154 PolarHBondContact O-N 3.13Å
151A93.4Very high91.5Very high71 Ų7159 Ų5959%0.58734%0.341SS*.Hα-helixtrans-62.9-40.9179.900000111.5S149 L155S149-A151 VanDerWaalsContact C-N 3.26Å; S149-A151 PolarHBondContact O-N 2.91Å; S149-A151 PolarHBondContact OG-N 3.06Å; A151-L155 VanDerWaalsContact O-CB 3.3Å; A151-L155 WeakPolarHBondContact O-CB 3.46Å; A151-L155 PolarHBondContact O-N 2.95Å
152Y93.6Very high91.5Very high145 Ų14565.7 Ų65.757%0.56937%0.367SS*.Hα-helixtrans-69.2-44.4177-177.3-100.7000111.6I147 S149 D150 I154 L155 M156I147-Y152 HydrophobicContact CD1-CD1 4.12Å; I147-Y152 HydrophobicContact CD1-CE1 4.11Å; I147-Y152 HydrophobicContact CG1-CD1 4.39Å; I147-Y152 HydrophobicContact CG1-CE1 4.49Å; I147-Y152 HydrophobicContact CG2-CD1 3.68Å; S149-Y152 PolarHBondContact O-N 3.19Å; S149-Y152 PolarHBondContact OG-N 3.3Å; D150-Y152 VanDerWaalsContact C-N 3.32Å; D150-Y152 PolarHBondContact O-N 3.4Å; Y152-I154 VanDerWaalsContact C-N 3.35Å; Y152-I154 PolarHBondContact O-N 3.28Å; Y152-L155 PolarHBondContact O-N 3.41Å; Y152-M156 WeakPolarHBondContact O-CB 3.5Å; Y152-M156 PolarHBondContact O-N 3.3Å
153F94.8Very high91.6Very high0 Ų068 Ų680%037%0.373CS..Hα-helixtrans-57.6-47.8175.9-178.5-88000111.5R67 V70 V71 Y140 V143 I147 S149 D150 L155 M156 M157R67-F153 HydrophobicContact CB-CD1 3.79Å; R67-F153 HydrophobicContact CB-CE1 3.73Å; R67-F153 HydrophobicContact CG-CB 4.36Å; R67-F153 HydrophobicContact CG-CD1 3.49Å; R67-F153 VanDerWaalsContact CG-CD1 3.49Å; R67-F153 HydrophobicContact CG-CE1 3.98Å; R67-F153 HydrophobicContact CG-CG 4.01Å; V70-F153 HydrophobicContact CG1-CD1 4.21Å; V70-F153 HydrophobicContact CG1-CE1 3.94Å; V71-F153 HydrophobicContact CG2-CE1 3.86Å; V71-F153 HydrophobicContact CG2-CZ 3.8Å; Y140-F153 HydrophobicContact CD1-CE2 4.44Å; Y140-F153 HydrophobicContact CD1-CZ 4.17Å; V143-F153 HydrophobicContact CG1-CE2 4.45Å; I147-F153 HydrophobicContact CD1-CD2 4.01Å; I147-F153 HydrophobicContact CG2-CB 3.92Å; S149-F153 PolarHBondContact O-N 3.41Å; D150-F153 PolarHBondContact O-N 2.9Å; F153-L155 PolarHBondContact O-N 2.96Å; F153-M156 HydrophobicContact CD2-CE 3.99Å; F153-M156 HydrophobicContact CE2-CE 4.12Å; F153-M156 PolarHBondContact O-N 2.86Å; F153-M157 HydrophobicContact CD1-CG 4.05Å; F153-M157 HydrophobicContact CE1-CG 3.62Å; F153-M157 HydrophobicContact CZ-CG 3.9Å; F153-M157 HydrophobicContact CZ-SD 4.35Å; F153-M157 WeakPolarHBondContact O-CG 3.38Å; F153-M157 PolarHBondContact O-N 2.91Å
154I94.8Very high91.8Very high34 Ų3469.5 Ų69.517%0.17438%0.379CS..Hα-helixtrans-63.6-43.9179.6-67.4163.6000110.7V70 D150 Y152 M156 M157 R158V70-I154 HydrophobicContact CG1-CG1 4.07Å; V70-I154 HydrophobicContact CG2-CG2 4.44Å; D150-I154 WeakPolarHBondContact O-CB 3.33Å; D150-I154 WeakPolarHBondContact O-CD1 3.42Å; D150-I154 WeakPolarHBondContact O-CG1 3.49Å; D150-I154 PolarHBondContact O-N 3.13Å; Y152-I154 VanDerWaalsContact C-N 3.35Å; Y152-I154 PolarHBondContact O-N 3.28Å; I154-M156 VanDerWaalsContact C-N 3.35Å; I154-M156 PolarHBondContact O-N 3.23Å; I154-M157 PolarHBondContact O-N 3.48Å; I154-R158 HydrophobicContact CG2-CG 4.42Å; I154-R158 WeakPolarHBondContact O-CG 3.31Å; I154-R158 PolarHBondContact O-N 3.24Å
155L94.3Very high91.9Very high96 Ų9672.6 Ų72.650%0.50340%0.395SS..Hα-helixtrans-61.5-43.8176.6179.861.9000111.7A151 Y152 F153 R158 N159A151-L155 VanDerWaalsContact O-CB 3.3Å; A151-L155 WeakPolarHBondContact O-CB 3.46Å; A151-L155 PolarHBondContact O-N 2.95Å; Y152-L155 PolarHBondContact O-N 3.41Å; F153-L155 PolarHBondContact O-N 2.96Å; L155-R158 PolarHBondContact O-N 3.25Å; L155-N159 WeakPolarHBondContact O-CB 3.48Å; L155-N159 VanDerWaalsContact O-CG 3.26Å; L155-N159 PolarHBondContact O-N 3.12Å; L155-N159 PolarHBondContact O-ND2 3.21Å
156M95.3Very high92.2Very high50 Ų5073.7 Ų73.725%0.24639%0.394CS..Hα-helixtrans-60-46.9176.4178.3-88.3-71.500110.8V143 I147 Y152 F153 I154 N159 A160V143-M156 HydrophobicContact CG1-CE 3.58Å; I147-M156 HydrophobicContact CD1-CE 3.55Å; Y152-M156 WeakPolarHBondContact O-CB 3.5Å; Y152-M156 PolarHBondContact O-N 3.3Å; F153-M156 HydrophobicContact CD2-CE 3.99Å; F153-M156 HydrophobicContact CE2-CE 4.12Å; F153-M156 PolarHBondContact O-N 2.86Å; I154-M156 VanDerWaalsContact C-N 3.35Å; I154-M156 PolarHBondContact O-N 3.23Å; M156-N159 PolarHBondContact O-N 2.89Å; M156-A160 VanDerWaalsContact O-CB 3.28Å; M156-A160 WeakPolarHBondContact O-CB 3.43Å; M156-A160 PolarHBondContact O-N 3.11Å
157M95.7Very high92.5Very high0 Ų072.6 Ų72.60%038%0.378CS..Hα-helixtrans-62.2-46.9177.6-75.5-64.3-70.600112.8V70 V71 A74 Y140 F153 I154 N159 A160 W161V70-M157 HydrophobicContact CB-CB 4.49Å; V70-M157 HydrophobicContact CG1-CB 3.95Å; V70-M157 HydrophobicContact CG1-CG 4.04Å; V70-M157 HydrophobicContact CG2-CB 3.71Å; V71-M157 HydrophobicContact CB-CE 4.21Å; V71-M157 HydrophobicContact CG2-CE 3.75Å; A74-M157 HydrophobicContact CB-CE 3.85Å; Y140-M157 HydrophobicContact CD1-CE 4.21Å; Y140-M157 HydrophobicContact CD1-SD 3.59Å; Y140-M157 VanDerWaalsContact CD1-SD 3.59Å; Y140-M157 HydrophobicContact CD2-CE 4.27Å; Y140-M157 HydrophobicContact CE1-CE 3.99Å; Y140-M157 HydrophobicContact CE1-SD 3.18Å; Y140-M157 WeakPolarHBondContact CE1-SD 3.48Å; Y140-M157 HydrophobicContact CE2-CE 4.02Å; Y140-M157 HydrophobicContact CE2-SD 4.29Å; Y140-M157 HydrophobicContact CG-CE 4.36Å; Y140-M157 HydrophobicContact CG-SD 4.32Å; Y140-M157 VanDerWaalsContact CZ-SD 3.58Å; F153-M157 HydrophobicContact CD1-CG 4.05Å; F153-M157 HydrophobicContact CE1-CG 3.62Å; F153-M157 HydrophobicContact CZ-CG 3.9Å; F153-M157 HydrophobicContact CZ-SD 4.35Å; F153-M157 WeakPolarHBondContact O-CG 3.38Å; F153-M157 PolarHBondContact O-N 2.91Å; I154-M157 PolarHBondContact O-N 3.48Å; M157-N159 VanDerWaalsContact C-N 3.31Å; M157-N159 PolarHBondContact O-N 3.13Å; M157-A160 PolarHBondContact O-N 2.83Å; M157-W161 VanDerWaalsContact CE-CD1 3.47Å; M157-W161 WeakPolarHBondContact O-CB 3.26Å; M157-W161 PolarHBondContact O-N 2.93Å
158R94.9Very high92.8Very high129 Ų12975.5 Ų75.549%0.48739%0.394SS..Hα-helixtrans-61.1-40.8177.5-71.5-176.6170165.4-2.2112V70 I154 L155 K162 L163V70-R158 HydrophobicContact CG2-CG 4.14Å; I154-R158 HydrophobicContact CG2-CG 4.42Å; I154-R158 WeakPolarHBondContact O-CG 3.31Å; I154-R158 PolarHBondContact O-N 3.24Å; L155-R158 PolarHBondContact O-N 3.25Å; R158-K162 WeakPolarHBondContact O-CA 3.41Å; R158-K162 PolarHBondContact O-N 3.17Å; R158-L163 HydrophobicContact CB-CB 4.4Å; R158-L163 HydrophobicContact CG-CB 4.14Å; R158-L163 PolarHBondContact O-N 2.78Å; R158-L163 VanDerWaalsContact O-N 3.08Å
159N93.9Very high93.2Very high93 Ų9369.5 Ų69.550%0.49736%0.361SS..Hα-helixtrans-69.6-41.4178.5-75.5-24.9000113.1L155 M156 M157 K162L155-N159 WeakPolarHBondContact O-CB 3.48Å; L155-N159 VanDerWaalsContact O-CG 3.26Å; L155-N159 PolarHBondContact O-N 3.12Å; L155-N159 PolarHBondContact O-ND2 3.21Å; M156-N159 PolarHBondContact O-N 2.89Å; M157-N159 VanDerWaalsContact C-N 3.31Å; M157-N159 PolarHBondContact O-N 3.13Å; N159-K162 PolarHBondContact O-NZ 3.26Å
160A92.3Very high93.3Very high58 Ų5870.2 Ų70.248%0.47936%0.357SS..Hα-helixtrans-65.5-47.5179.500000111.3M156 M157M156-A160 VanDerWaalsContact O-CB 3.28Å; M156-A160 WeakPolarHBondContact O-CB 3.43Å; M156-A160 PolarHBondContact O-N 3.11Å; M157-A160 PolarHBondContact O-N 2.83Å
161W92Very high93.4Very high12 Ų1271.2 Ų71.25%0.04536%0.361CS..Hα-helixtrans-96.21-174.6-61.6109.2000114.1A74 K77 L78 Y95 F117 F121 F136 Y140 M157 L163A74-W161 HydrophobicContact CB-CB 3.98Å; A74-W161 VanDerWaalsContact CB-CD1 3.46Å; A74-W161 HydrophobicContact CB-CD2 4Å; A74-W161 HydrophobicContact CB-CG 3.53Å; K77-W161 WeakPolarHBondContact CE-O 3.25Å; K77-W161 PolarHBondContact NZ-O 3.2Å; L78-W161 HydrophobicContact CD1-CE3 4.03Å; L78-W161 HydrophobicContact CD1-CH2 3.63Å; L78-W161 HydrophobicContact CD1-CZ2 4.36Å; L78-W161 HydrophobicContact CD1-CZ3 3.46Å; L78-W161 VanDerWaalsContact CD1-CZ3 3.46Å; L78-W161 HydrophobicContact CD2-CE3 4.11Å; L78-W161 HydrophobicContact CD2-CZ3 3.76Å; L78-W161 HydrophobicContact CG-CE3 4.32Å; L78-W161 HydrophobicContact CG-CZ3 4.05Å; Y95-W161 HydrophobicContact CE2-CZ3 4.49Å; Y95-W161 VanDerWaalsContact OH-CE3 3.3Å; Y95-W161 VanDerWaalsContact OH-CZ3 3.27Å; Y95-W161 WeakPolarHBondContact OH-CZ3 3.25Å; F117-W161 AromaticContact CZ-CH2 3.86Å; F117-W161 HydrophobicContact CZ-CH2 3.86Å; F117-W161 HydrophobicContact CZ-CZ3 4.05Å; F121-W161 HydrophobicContact CE1-CH2 4.37Å; F121-W161 HydrophobicContact CE1-CZ2 4.08Å; F121-W161 HydrophobicContact CE2-CH2 4.31Å; F121-W161 AromaticContact CZ-CH2 3.7Å; F121-W161 HydrophobicContact CZ-CH2 3.7Å; F121-W161 AromaticContact CZ-CZ2 3.8Å; F121-W161 HydrophobicContact CZ-CZ2 3.8Å; F136-W161 HydrophobicContact CE2-CH2 4.16Å; F136-W161 AromaticContact CE2-CZ2 3.88Å; F136-W161 HydrophobicContact CE2-CZ2 3.88Å; F136-W161 HydrophobicContact CZ-CH2 4.16Å; F136-W161 AromaticContact CZ-CZ2 3.58Å; F136-W161 HydrophobicContact CZ-CZ2 3.58Å; Y140-W161 HydrophobicContact CE2-CZ2 4.1Å; Y140-W161 AromaticContact CE2-NE1 3.99Å; Y140-W161 AromaticContact CZ-NE1 3.55Å; Y140-W161 WeakPolarHBondContact OH-CZ2 3.02Å; Y140-W161 PolarHBondContact OH-NE1 3.39Å; M157-W161 VanDerWaalsContact CE-CD1 3.47Å; M157-W161 WeakPolarHBondContact O-CB 3.26Å; M157-W161 PolarHBondContact O-N 2.93Å; W161-L163 VanDerWaalsContact C-N 3.31Å; W161-L163 HydrophobicContact CB-CD1 4.39Å; W161-L163 HydrophobicContact CB-CD2 4.25Å; W161-L163 HydrophobicContact CB-CG 3.94Å; W161-L163 PolarHBondContact O-N 3.34Å
162K90.8Very high93.4Very high158 Ų15871.3 Ų71.369%0.68734%0.342SS*.THydrogen-bonded Turntrans52.847.2-177.4-54.6-61-179.3-1640112.1K77 R158 N159K77-K162 PolarHBondContact NZ-O 2.62Å; R158-K162 WeakPolarHBondContact O-CA 3.41Å; R158-K162 PolarHBondContact O-N 3.17Å; N159-K162 PolarHBondContact O-NZ 3.26Å
163L88.7Confident93.4Very high80 Ų8064.5 Ų64.542%0.41932%0.322SS..  trans-790175.3-56.3176000110.4V70 E73 A74 K77 R158 W161V70-L163 HydrophobicContact CG2-CD1 3.71Å; E73-L163 HydrophobicContact CB-CD1 4.06Å; E73-L163 HydrophobicContact CG-CD1 4.06Å; E73-L163 HydrophobicContact CG-CD2 4.05Å; A74-L163 HydrophobicContact CB-CD1 4.3Å; K77-L163 HydrophobicContact CB-CD2 4.32Å; K77-L163 HydrophobicContact CD-CD2 3.68Å; R158-L163 HydrophobicContact CB-CB 4.4Å; R158-L163 HydrophobicContact CG-CB 4.14Å; R158-L163 PolarHBondContact O-N 2.78Å; R158-L163 VanDerWaalsContact O-N 3.08Å; W161-L163 VanDerWaalsContact C-N 3.31Å; W161-L163 HydrophobicContact CB-CD1 4.39Å; W161-L163 HydrophobicContact CB-CD2 4.25Å; W161-L163 HydrophobicContact CB-CG 3.94Å; W161-L163 PolarHBondContact O-N 3.34Å

Retrieved 163 of 163 residues in 491.6 ms (Link to these results)

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