A0A087X978_POEFO Loading...

Abraxas 1, BRCA1 A complex subunit

AlphaFold DB , UniProt , Accession A0A087X978, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 350 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
1M53Low86.8Confident171 Ų17158.4 Ų58.484%0.84232%0.317SS*.  0107.10-79.9-89.9-126.400106
2S65.4Low87.6Confident24 Ų2454.8 Ų54.817%0.16830%0.298CS..PPolyproline II helixtrans-55.7143.7170.513.90000109.8I53 E54S2-I53 PolarHBondContact OG-O 3.36Å; S2-E54 WeakPolarHBondContact OG-CA 3.37Å; S2-E54 PolarHBondContact OG-N 3.17Å
3E79.6Confident88.2Confident155 Ų15551.7 Ų51.772%0.72428%0.281SS*.PPolyproline II helixtrans-69.1132.1177.4-69-173.416300109.2
4P90.2Very high88.8Confident9 Ų951.9 Ų51.96%0.05829%0.293CS..PPolyproline II helixtrans-64.8147.5176.928.9-34.4000109.9E55 Y57 T155 I164 P165P4-E55 CarbonylContact C-O 3.57Å; P4-E55 VanDerWaalsContact CA-O 3.28Å; P4-E55 WeakPolarHBondContact CA-O 3.34Å; P4-E55 HydrophobicContact CB-CB 4.05Å; P4-E55 HydrophobicContact CB-CG 4.16Å; P4-Y57 HydrophobicContact CB-CE2 4.15Å; P4-T155 HydrophobicContact CG-CG2 4.32Å; P4-I164 HydrophobicContact CB-CG2 4.45Å; P4-I164 HydrophobicContact CG-CB 4.32Å; P4-I164 HydrophobicContact CG-CG2 3.57Å; P4-P165 VanDerWaalsContact O-CD 3.32Å; P4-P165 WeakPolarHBondContact O-CD 3.44Å
5S93.6Very high89.2Confident8 Ų851.5 Ų51.56%0.05630%0.295CS..EExtended strand (participates in β ladder)trans-131.8151.1177.865.80000112.1E55 I56 Y57S5-E55 PolarHBondContact N-O 2.89Å; S5-I56 WeakPolarHBondContact O-CA 3.35Å; S5-Y57 WeakPolarHBondContact O-CD2 3.35Å; S5-Y57 PolarHBondContact O-N 3.46Å
6V96.4Very high89.5Confident0 Ų048.3 Ų48.30%028%0.277CS..EExtended strand (participates in β ladder)trans-105.8129.8171.9176.80000108.4Y57 I59 I131 A153 I164 P165 V166 L167V6-Y57 CarbonylContact C-O 3.56Å; V6-Y57 WeakPolarHBondContact CA-O 3.41Å; V6-Y57 HydrophobicContact CG2-CD2 4.21Å; V6-I59 HydrophobicContact CG1-CD1 3.4Å; V6-I59 VanDerWaalsContact CG1-CD1 3.4Å; V6-I59 HydrophobicContact CG1-CG1 3.89Å; V6-I131 HydrophobicContact CG1-CD1 4.25Å; V6-I131 HydrophobicContact CG2-CD1 3.9Å; V6-A153 HydrophobicContact CB-CB 4.35Å; V6-A153 HydrophobicContact CG2-CB 3.7Å; V6-I164 HydrophobicContact CG2-CD1 3.42Å; V6-I164 VanDerWaalsContact CG2-CD1 3.42Å; V6-I164 HydrophobicContact CG2-CG1 3.86Å; V6-P165 PolarHBondContact N-O 3.23Å; V6-V166 HydrophobicContact CB-CG2 4.3Å; V6-V166 HydrophobicContact CG1-CG1 4.48Å; V6-V166 CarbonylContact O-C 3.57Å; V6-V166 WeakPolarHBondContact O-CA 3.48Å; V6-L167 PolarHBondContact O-N 2.69Å
7R95.6Very high89.9Confident95 Ų9548.4 Ų48.436%0.35828%0.275SS..EExtended strand (participates in β ladder)trans-107.5130171.1-64.1-176.2-174.3171.92.7108.8I56 Y57 I59 L167R7-I56 HydrophobicContact CG-CG2 3.91Å; R7-I56 VanDerWaalsContact NH2-CD1 3.34Å; R7-Y57 PolarHBondContact N-O 2.93Å; R7-I59 PolarHBondContact O-N 3.14Å; R7-L167 WeakPolarHBondContact CA-O 3.4Å; R7-L167 HydrophobicContact CG-CB 4.38Å
8I96.3Very high90.1Very high2 Ų253.4 Ų53.41%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-136.6139.2177.3-169.7168.3000109.1V12 L13 L16 I59 V166 L167 V168 T169I8-V12 HydrophobicContact CD1-CB 4.43Å; I8-V12 HydrophobicContact CD1-CG1 4.08Å; I8-V12 HydrophobicContact CG1-CB 4.07Å; I8-V12 HydrophobicContact CG1-CG1 4.15Å; I8-L13 HydrophobicContact CD1-CB 3.99Å; I8-L13 HydrophobicContact CD1-CD1 4.29Å; I8-L13 HydrophobicContact CG1-CB 4.29Å; I8-L16 HydrophobicContact CD1-CD1 4.08Å; I8-I59 HydrophobicContact CB-CB 4.26Å; I8-I59 HydrophobicContact CB-CD1 4.49Å; I8-I59 HydrophobicContact CD1-CB 4.39Å; I8-I59 HydrophobicContact CD1-CD1 4.21Å; I8-I59 HydrophobicContact CD1-CG2 4.09Å; I8-I59 HydrophobicContact CG1-CB 4.1Å; I8-I59 HydrophobicContact CG1-CG2 4.11Å; I8-V166 HydrophobicContact CG2-CG1 3.72Å; I8-L167 PolarHBondContact N-O 3.06Å; I8-V168 HydrophobicContact CG2-CG2 4.02Å; I8-V168 VanDerWaalsContact O-CA 3.31Å; I8-V168 WeakPolarHBondContact O-CA 3.33Å; I8-T169 PolarHBondContact O-N 3.49Å
9S95.1Very high90.1Very high36 Ų3653.7 Ų53.725%0.25229%0.292SS..EExtended strand (participates in β ladder)trans-74.2151173.269.40000110.7T11 V12 L13S9-T11 PolarHBondContact O-N 3.17Å; S9-T11 PolarHBondContact OG-OG1 3.08Å; S9-V12 PolarHBondContact O-N 3.15Å; S9-V12 WeakPolarHBondContact OG-CG2 3.33Å; S9-V12 PolarHBondContact OG-N 3.28Å; S9-L13 PolarHBondContact O-N 3.47Å; S9-L13 VanDerWaalsContact O-N 3.07Å
10G95.1Very high90.1Very high34 Ų3451 Ų5135%0.35128%0.278SS..Hα-helixtrans-57.5-32.9174.500000113A14G10-A14 WeakPolarHBondContact O-CB 3.36Å; G10-A14 PolarHBondContact O-N 3.44Å
11T94.9Very high90.1Very high108 Ų10853.1 Ų53.166%0.66329%0.292SS*.Hα-helixtrans-68.6-42.6178.649.10000112.7S9 A14 S15S9-T11 PolarHBondContact O-N 3.17Å; S9-T11 PolarHBondContact OG-OG1 3.08Å; T11-A14 PolarHBondContact O-N 3.03Å; T11-S15 WeakPolarHBondContact O-CB 3.3Å; T11-S15 PolarHBondContact O-N 3.03Å
12V95.9Very high91.9Very high16 Ų1649.8 Ų49.810%0.09728%0.278CS..Hα-helixtrans-69.8-42.8178177.80000110.6I8 S9 A14 S15 L16 I59 Q60I8-V12 HydrophobicContact CD1-CB 4.43Å; I8-V12 HydrophobicContact CD1-CG1 4.08Å; I8-V12 HydrophobicContact CG1-CB 4.07Å; I8-V12 HydrophobicContact CG1-CG1 4.15Å; S9-V12 PolarHBondContact O-N 3.15Å; S9-V12 WeakPolarHBondContact OG-CG2 3.33Å; S9-V12 PolarHBondContact OG-N 3.28Å; V12-A14 VanDerWaalsContact C-N 3.34Å; V12-A14 PolarHBondContact O-N 3.19Å; V12-S15 PolarHBondContact O-N 3.06Å; V12-L16 PolarHBondContact O-N 3.48Å; V12-I59 HydrophobicContact CG1-CG2 3.99Å; V12-Q60 WeakPolarHBondContact CG2-O 3.4Å
13L96.1Very high92.9Very high14 Ų1450.3 Ų50.37%0.07328%0.281CS..Hα-helixtrans-61.1-44175.5-17760.9000111.5I8 S9 S15 L16 M17 Y151 V168I8-L13 HydrophobicContact CD1-CB 3.99Å; I8-L13 HydrophobicContact CD1-CD1 4.29Å; I8-L13 HydrophobicContact CG1-CB 4.29Å; S9-L13 PolarHBondContact O-N 3.47Å; S9-L13 VanDerWaalsContact O-N 3.07Å; L13-S15 VanDerWaalsContact C-N 3.35Å; L13-S15 PolarHBondContact O-N 3.46Å; L13-L16 WeakPolarHBondContact O-CB 3.39Å; L13-L16 PolarHBondContact O-N 3.24Å; L13-M17 HydrophobicContact CD1-CE 3.92Å; L13-M17 HydrophobicContact CD2-CE 4.15Å; L13-M17 HydrophobicContact CG-CE 3.88Å; L13-M17 WeakPolarHBondContact O-CG 3.36Å; L13-M17 PolarHBondContact O-N 3.14Å; L13-Y151 HydrophobicContact CD1-CD1 4.47Å; L13-Y151 HydrophobicContact CD1-CG 4.44Å; L13-Y151 HydrophobicContact CD2-CD1 4.48Å; L13-Y151 HydrophobicContact CD2-CE1 4.05Å; L13-Y151 HydrophobicContact CD2-CE2 4.46Å; L13-V168 HydrophobicContact CD2-CG1 4.48Å; L13-V168 HydrophobicContact CD2-CG2 3.81Å
14A96Very high93.2Very high54 Ų5450.7 Ų50.745%0.44629%0.288SS..Hα-helixtrans-62.6-41.2176.200000111.9G10 T11 V12 M17 F18G10-A14 WeakPolarHBondContact O-CB 3.36Å; G10-A14 PolarHBondContact O-N 3.44Å; T11-A14 PolarHBondContact O-N 3.03Å; V12-A14 VanDerWaalsContact C-N 3.34Å; V12-A14 PolarHBondContact O-N 3.19Å; A14-M17 PolarHBondContact O-N 3.36Å; A14-F18 WeakPolarHBondContact O-CB 3.44Å; A14-F18 PolarHBondContact O-N 3.07Å
15S95.1Very high93Very high47 Ų4753.4 Ų53.433%0.32931%0.308SS..Hα-helixtrans-64.3-40.6177.1-174.80000112.4T11 V12 L13 M17 F18 Q19 H62T11-S15 WeakPolarHBondContact O-CB 3.3Å; T11-S15 PolarHBondContact O-N 3.03Å; V12-S15 PolarHBondContact O-N 3.06Å; L13-S15 VanDerWaalsContact C-N 3.35Å; L13-S15 PolarHBondContact O-N 3.46Å; S15-M17 PolarHBondContact O-N 2.93Å; S15-F18 PolarHBondContact O-N 3.13Å; S15-Q19 WeakPolarHBondContact O-CG 3.44Å; S15-Q19 PolarHBondContact O-N 3.22Å; S15-H62 PolarHBondContact OG-CE1 3.14Å; S15-H62 VanDerWaalsContact OG-CE1 3.25Å
16L94.4Very high92.7Very high0 Ų055.5 Ų55.50%032%0.318CS..Hα-helixtrans-58.4-47.2170.8-80.2167.3000111.5I8 V12 L13 Q19 H20 H62 Y100 Q102 L133 L135I8-L16 HydrophobicContact CD1-CD1 4.08Å; V12-L16 PolarHBondContact O-N 3.48Å; L13-L16 WeakPolarHBondContact O-CB 3.39Å; L13-L16 PolarHBondContact O-N 3.24Å; L16-Q19 PolarHBondContact O-N 3.04Å; L16-H20 PolarHBondContact O-N 3.25Å; L16-H20 VanDerWaalsContact O-N 3.1Å; L16-H62 HydrophobicContact CD2-CB 3.88Å; L16-H62 VanDerWaalsContact CD2-CD2 3.4Å; L16-H62 WeakPolarHBondContact CD2-CD2 3.23Å; L16-H62 HydrophobicContact CG-CB 4.38Å; L16-Y100 HydrophobicContact CD2-CD1 4Å; L16-Y100 HydrophobicContact CD2-CD2 3.85Å; L16-Y100 HydrophobicContact CD2-CE1 3.78Å; L16-Y100 HydrophobicContact CD2-CE2 3.62Å; L16-Y100 HydrophobicContact CD2-CG 4.03Å; L16-Q102 PolarHBondContact O-NE2 3.16Å; L16-L133 HydrophobicContact CD1-CD2 3.79Å; L16-L135 HydrophobicContact CB-CD2 4.18Å
17M94.8Very high92.3Very high49 Ų4956.2 Ų56.224%0.24132%0.323CS..Hα-helixtrans-64.5-41.4178.7-67.5-176.8176.400112L13 A14 S15 Q19 H20 V21 L135 M149 Y151L13-M17 HydrophobicContact CD1-CE 3.92Å; L13-M17 HydrophobicContact CD2-CE 4.15Å; L13-M17 HydrophobicContact CG-CE 3.88Å; L13-M17 WeakPolarHBondContact O-CG 3.36Å; L13-M17 PolarHBondContact O-N 3.14Å; A14-M17 PolarHBondContact O-N 3.36Å; S15-M17 PolarHBondContact O-N 2.93Å; M17-Q19 PolarHBondContact O-N 3.43Å; M17-H20 WeakPolarHBondContact O-CB 2.83Å; M17-H20 PolarHBondContact O-N 3.47Å; M17-V21 WeakPolarHBondContact O-CG2 3.37Å; M17-V21 PolarHBondContact O-N 3.36Å; M17-L135 HydrophobicContact CG-CD2 4.46Å; M17-M149 HydrophobicContact CB-CE 4.28Å; M17-M149 HydrophobicContact CE-CG 3.72Å; M17-M149 HydrophobicContact CG-CE 3.72Å; M17-M149 HydrophobicContact CG-CG 4.09Å; M17-M149 HydrophobicContact SD-CG 3.93Å; M17-Y151 HydrophobicContact CE-CD1 3.76Å; M17-Y151 HydrophobicContact CE-CE1 4.06Å
18F94.4Very high92Very high139 Ų13951.8 Ų51.861%0.6131%0.306SS*.Hα-helixtrans-59.3-47.3177.5179.2-104.3000111.5A14 S15 H20 V21 N22A14-F18 WeakPolarHBondContact O-CB 3.44Å; A14-F18 PolarHBondContact O-N 3.07Å; S15-F18 PolarHBondContact O-N 3.13Å; F18-H20 VanDerWaalsContact C-N 3.32Å; F18-H20 PolarHBondContact O-N 2.93Å; F18-V21 PolarHBondContact O-N 3.36Å; F18-N22 WeakPolarHBondContact CD1-ND2 3.35Å; F18-N22 WeakPolarHBondContact CE1-ND2 3.35Å; F18-N22 WeakPolarHBondContact CE2-ND2 3.42Å; F18-N22 WeakPolarHBondContact CZ-ND2 3.5Å; F18-N22 PolarHBondContact O-N 3.48Å; F18-N22 VanDerWaalsContact O-N 3.15Å; F18-N22 PolarHBondContact O-ND2 2.58Å
19Q90Very high91.7Very high59 Ų5951.7 Ų51.728%0.27631%0.305SS..Hα-helixtrans-61.4-39175.5-73.1179.2-800112.7S15 L16 M17 N22 S23 H62S15-Q19 WeakPolarHBondContact O-CG 3.44Å; S15-Q19 PolarHBondContact O-N 3.22Å; L16-Q19 PolarHBondContact O-N 3.04Å; M17-Q19 PolarHBondContact O-N 3.43Å; Q19-N22 PolarHBondContact O-N 3.39Å; Q19-S23 WeakPolarHBondContact O-CB 3.46Å; Q19-S23 PolarHBondContact O-N 3.07Å; Q19-S23 PolarHBondContact O-OG 2.94Å; Q19-H62 VanDerWaalsContact CD-NE2 3.27Å; Q19-H62 PolarHBondContact NE2-NE2 3.1Å; Q19-H62 PolarHBondContact OE1-CD2 3.23Å; Q19-H62 PolarHBondContact OE1-NE2 3.1Å
20H90.4Very high91.5Very high0 Ų050 Ų500%029%0.294CS..Hα-helixtrans-61-48.8177.9-169.731.2000111.4L16 M17 F18 N22 S23 Q102 R103 R104 M149L16-H20 PolarHBondContact O-N 3.25Å; L16-H20 VanDerWaalsContact O-N 3.1Å; M17-H20 WeakPolarHBondContact O-CB 2.83Å; M17-H20 PolarHBondContact O-N 3.47Å; F18-H20 VanDerWaalsContact C-N 3.32Å; F18-H20 PolarHBondContact O-N 2.93Å; H20-N22 VanDerWaalsContact C-N 3.3Å; H20-N22 PolarHBondContact O-N 2.81Å; H20-S23 PolarHBondContact O-N 3.11Å; H20-S23 VanDerWaalsContact O-N 3.16Å; H20-Q102 HydrophobicContact CB-CB 4.38Å; H20-Q102 HydrophobicContact CB-CG 4.48Å; H20-Q102 VanDerWaalsContact ND1-CB 3.31Å; H20-Q102 WeakPolarHBondContact ND1-CB 3.34Å; H20-R103 PolarHBondContact NE2-O 3.42Å; H20-R103 VanDerWaalsContact NE2-O 3.1Å; H20-R104 PolarHBondContact O-NH2 3.25Å; H20-M149 HydrophobicContact CB-CE 4.29Å
21V90.9Very high91.5Very high96 Ų9648.4 Ų48.458%0.58228%0.277SS*.Hα-helixtrans-66.5-35.6-175177.20000111.2M17 F18 S23 R104M17-V21 WeakPolarHBondContact O-CG2 3.37Å; M17-V21 PolarHBondContact O-N 3.36Å; F18-V21 PolarHBondContact O-N 3.36Å; V21-S23 VanDerWaalsContact C-N 3.25Å; V21-S23 PolarHBondContact O-N 3.21Å; V21-R104 PolarHBondContact O-NH2 3.27Å
22N90.3Very high91.4Very high100 Ų10043.2 Ų43.254%0.53525%0.245SC..THydrogen-bonded Turntrans-75.7-8.8177.6-67.5-23.8000114.3F18 Q19 H20F18-N22 WeakPolarHBondContact CD1-ND2 3.35Å; F18-N22 WeakPolarHBondContact CE1-ND2 3.35Å; F18-N22 WeakPolarHBondContact CE2-ND2 3.42Å; F18-N22 WeakPolarHBondContact CZ-ND2 3.5Å; F18-N22 PolarHBondContact O-N 3.48Å; F18-N22 VanDerWaalsContact O-N 3.15Å; F18-N22 PolarHBondContact O-ND2 2.58Å; Q19-N22 PolarHBondContact O-N 3.39Å; H20-N22 VanDerWaalsContact C-N 3.3Å; H20-N22 PolarHBondContact O-N 2.81Å
23S86.8Confident91.3Very high35 Ų3542.6 Ų42.625%0.24524%0.242CC..  trans-104123.9-178.6-59.70000111.3Q19 H20 V21 S25 V27 R104Q19-S23 WeakPolarHBondContact O-CB 3.46Å; Q19-S23 PolarHBondContact O-N 3.07Å; Q19-S23 PolarHBondContact O-OG 2.94Å; H20-S23 PolarHBondContact O-N 3.11Å; H20-S23 VanDerWaalsContact O-N 3.16Å; V21-S23 VanDerWaalsContact C-N 3.25Å; V21-S23 PolarHBondContact O-N 3.21Å; S23-S25 PolarHBondContact O-N 3.29Å; S23-S25 VanDerWaalsContact O-N 3.08Å; S23-V27 WeakPolarHBondContact OG-CG2 3.41Å; S23-R104 VanDerWaalsContact O-CZ 3.3Å; S23-R104 PolarHBondContact O-NE 2.94Å; S23-R104 PolarHBondContact O-NH2 3Å
24D84.5Confident91.2Very high163 Ų16347.3 Ų47.387%0.87226%0.264SS*.SBendtrans-71.7-1.5179.9-67-31.4000114.5
25S85.8Confident90.9Very high67 Ų6747 Ų4747%0.46926%0.258SS..SBendtrans-137.1170.4-175.8630000111.2S23S23-S25 PolarHBondContact O-N 3.29Å; S23-S25 VanDerWaalsContact O-N 3.08Å
26D88Confident90.7Very high52 Ų5246.5 Ų46.528%0.27825%0.254SS..  trans-58.5138.3170.4-74.33.1000110.2L68 R101 Q102 R103 R104D26-L68 WeakPolarHBondContact O-CD2 3.28Å; D26-R101 IonicContact OD2-NH2 2.85Å; D26-Q102 VanDerWaalsContact CA-O 3.25Å; D26-Q102 WeakPolarHBondContact CA-O 3.39Å; D26-Q102 VanDerWaalsContact CB-O 3.31Å; D26-Q102 WeakPolarHBondContact CB-O 3.29Å; D26-R103 WeakPolarHBondContact OD1-CA 3.29Å; D26-R104 PolarHBondContact OD1-N 2.9Å
27V88Confident90.4Very high15 Ų1551 Ų519%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-118.4152.3179.6-179.30000109.2S23 Q102S23-V27 WeakPolarHBondContact OG-CG2 3.41Å; V27-Q102 HydrophobicContact CB-CB 4.35Å; V27-Q102 HydrophobicContact CB-CG 4.45Å; V27-Q102 PolarHBondContact N-O 3.23Å; V27-Q102 PolarHBondContact O-N 2.63Å
28E88.8Confident89.9Confident1 Ų153.3 Ų53.31%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-136.2162.1171.966.9-165.2162.700110.5C65 L68 I70 S71 Y100 R101E28-C65 HydrophobicContact CG-CB 3.95Å; E28-C65 WeakPolarHBondContact O-CB 3.22Å; E28-C65 PolarHBondContact O-N 3.33Å; E28-L68 WeakPolarHBondContact OE1-CA 3.39Å; E28-I70 HydrophobicContact CG-CB 4.11Å; E28-I70 PolarHBondContact OE1-N 2.88Å; E28-S71 VanDerWaalsContact CD-CB 3.49Å; E28-S71 VanDerWaalsContact CD-N 3.25Å; E28-S71 WeakPolarHBondContact OE1-CA 3.23Å; E28-S71 VanDerWaalsContact OE1-CB 3.31Å; E28-S71 WeakPolarHBondContact OE1-CB 3.46Å; E28-S71 PolarHBondContact OE1-N 3.39Å; E28-S71 PolarHBondContact OE1-OG 3.25Å; E28-S71 WeakPolarHBondContact OE2-CB 3.37Å; E28-S71 PolarHBondContact OE2-N 2.58Å; E28-S71 PolarHBondContact OE2-OG 2.95Å; E28-Y100 VanDerWaalsContact CA-O 3.3Å; E28-Y100 WeakPolarHBondContact CA-O 3.29Å; E28-R101 IonicContact OE2-NH1 2.83Å; E28-R101 PolarHBondContact OE2-NH1 3.38Å
29G90.3Very high89.4Confident0 Ų053 Ų530%029%0.285CS..EExtended strand (participates in β ladder)trans-174.4-177.1177.900000112.7V63 W99 Y100G29-V63 CarbonylContact C-O 3.51Å; G29-V63 WeakPolarHBondContact CA-O 3.27Å; G29-W99 CarbonylContact O-C 3.57Å; G29-W99 VanDerWaalsContact O-CA 3.29Å; G29-W99 WeakPolarHBondContact O-CA 3.42Å; G29-W99 WeakPolarHBondContact O-CB 3.33Å; G29-Y100 VanDerWaalsContact C-CD1 3.44Å; G29-Y100 VanDerWaalsContact C-CE1 3.4Å; G29-Y100 PolarHBondContact N-O 2.52Å; G29-Y100 VanDerWaalsContact N-O 3.09Å; G29-Y100 WeakPolarHBondContact O-CD1 3.42Å; G29-Y100 PolarHBondContact O-N 3.23Å
30L91.9Very high89Confident1 Ų154.8 Ų54.81%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-102.2152.8178.4-60.9173.5000110.6H62 V63 I70 L84 M87 L88 V96 W99L30-H62 CarbonylContact O-C 3.56Å; L30-H62 VanDerWaalsContact O-CA 3.25Å; L30-H62 WeakPolarHBondContact O-CA 3.46Å; L30-V63 PolarHBondContact N-O 2.86Å; L30-V63 PolarHBondContact O-N 2.9Å; L30-I70 HydrophobicContact CD2-CD1 3.86Å; L30-I70 HydrophobicContact CG-CD1 3.92Å; L30-L84 HydrophobicContact CD1-CD1 3.46Å; L30-L84 VanDerWaalsContact CD1-CD1 3.46Å; L30-L84 HydrophobicContact CD2-CD1 4.24Å; L30-L84 HydrophobicContact CG-CD1 4.41Å; L30-M87 HydrophobicContact CD1-CE 4.27Å; L30-L88 HydrophobicContact CD1-CD2 4.03Å; L30-L88 HydrophobicContact CD1-CG 4.29Å; L30-V96 HydrophobicContact CB-CG1 4.49Å; L30-V96 HydrophobicContact CD2-CG1 4.27Å; L30-W99 HydrophobicContact CD2-CB 4.04Å
31V94.1Very high88.6Confident0 Ų058.3 Ų58.30%031%0.314CS..EExtended strand (participates in β ladder)trans-116.2125.2175.6-174.90000107.8I59 I97 G98 Y100V31-I59 HydrophobicContact CG1-CB 3.96Å; V31-I59 HydrophobicContact CG1-CD1 3.73Å; V31-I59 HydrophobicContact CG1-CG1 3.54Å; V31-I59 HydrophobicContact CG1-CG2 3.37Å; V31-I97 HydrophobicContact CG1-CD1 4.31Å; V31-I97 HydrophobicContact CG1-CG1 4.21Å; V31-I97 WeakPolarHBondContact O-CG1 3.14Å; V31-I97 PolarHBondContact O-N 2.87Å; V31-I97 VanDerWaalsContact O-N 3.08Å; V31-G98 PolarHBondContact N-O 3.36Å; V31-G98 PolarHBondContact O-N 3.48Å; V31-G98 VanDerWaalsContact O-N 3.16Å; V31-Y100 HydrophobicContact CG2-CD1 3.77Å; V31-Y100 HydrophobicContact CG2-CG 4.39Å
32L93.9Very high87.9Confident0 Ų056.9 Ų56.90%031%0.306CS..EExtended strand (participates in β ladder)trans-116.4148.3-179-50.691.9000110.6Q60 K61 V63 L88 N91 D94 S95 V96L32-Q60 PolarHBondContact O-N 3.04Å; L32-K61 HydrophobicContact CB-CD 4.44Å; L32-K61 HydrophobicContact CB-CG 3.75Å; L32-K61 HydrophobicContact CD1-CG 4.05Å; L32-K61 HydrophobicContact CG-CG 4.44Å; L32-K61 PolarHBondContact N-O 3.38Å; L32-K61 PolarHBondContact O-N 2.71Å; L32-K61 VanDerWaalsContact O-N 3.12Å; L32-V63 HydrophobicContact CD1-CB 4.27Å; L32-V63 HydrophobicContact CD1-CG2 3.61Å; L32-L88 HydrophobicContact CD2-CD2 3.96Å; L32-N91 HydrophobicContact CD2-CB 3.99Å; L32-D94 HydrophobicContact CB-CB 4.07Å; L32-D94 HydrophobicContact CD2-CB 3.76Å; L32-S95 VanDerWaalsContact CA-O 3.29Å; L32-S95 WeakPolarHBondContact CA-O 3.47Å; L32-V96 HydrophobicContact CD2-CG2 4.25Å; L32-V96 HydrophobicContact CG-CG2 4.42Å
33G93.8Very high87.3Confident2 Ų258.9 Ų58.92%0.02132%0.315CS..EExtended strand (participates in β ladder)trans158.8-143.3-179.300000111.1N58 S95 I97G33-N58 WeakPolarHBondContact CA-O 3.36Å; G33-S95 PolarHBondContact N-O 3.44Å; G33-S95 WeakPolarHBondContact O-CB 3.03Å; G33-I97 WeakPolarHBondContact O-CG2 3.37Å
34E92.4Very high86.9Confident114 Ų11459.1 Ų59.153%0.53332%0.317SS..EExtended strand (participates in β ladder)trans-129.7134.3-169.9-70.6169.1-155.200111.6N58 Q60E34-N58 PolarHBondContact N-O 3.07Å; E34-N58 PolarHBondContact O-N 3.49Å; E34-Q60 VanDerWaalsContact CD-NE2 3.27Å; E34-Q60 PolarHBondContact OE1-NE2 3.28Å
35S91Very high86.8Confident48 Ų4860.1 Ų60.134%0.33632%0.322SS..EExtended strand (participates in β ladder)trans-99.5121.1167.956.50000109.1
36S89.9Confident86.4Confident35 Ų3560 Ų6025%0.24532%0.321CS..EExtended strand (participates in β ladder)trans-119140.6179.660.20000110.9H38 I56S36-H38 VanDerWaalsContact CB-CE1 3.49Å; S36-H38 WeakPolarHBondContact CB-CE1 3.36Å; S36-H38 PolarHBondContact OG-CE1 3.37Å; S36-I56 PolarHBondContact N-O 3.08Å; S36-I56 PolarHBondContact O-N 2.76Å; S36-I56 PolarHBondContact OG-O 3.47Å
37F87.9Confident85.5Confident96 Ų9667.6 Ų67.642%0.42136%0.355SS..EExtended strand (participates in β ladder)trans-125.8107.8-177-59.4-92.7000107.8I53 E54 E55 H129F37-I53 HydrophobicContact CB-CG2 4.26Å; F37-E54 CarbonylContact C-O 3.47Å; F37-E54 WeakPolarHBondContact CA-O 3.43Å; F37-E55 HydrophobicContact CD1-CB 4.07Å; F37-E55 HydrophobicContact CD1-CG 3.98Å; F37-E55 HydrophobicContact CE1-CB 4.13Å; F37-E55 HydrophobicContact CE1-CG 3.55Å; F37-E55 VanDerWaalsContact CE1-OE1 3.26Å; F37-E55 WeakPolarHBondContact CE1-OE1 3.4Å; F37-E55 HydrophobicContact CZ-CG 4.28Å; F37-H129 AromaticContact CE1-ND1 3.95Å; F37-H129 HydrophobicContact CZ-CB 4.25Å; F37-H129 AromaticContact CZ-CD2 3.99Å; F37-H129 AromaticContact CZ-CG 3.81Å; F37-H129 AromaticContact CZ-ND1 3.96Å
38H85.2Confident84.9Confident96 Ų9669.6 Ų69.644%0.44437%0.37SS..EExtended strand (participates in β ladder)trans-106.7131.5-176.4-62.491.1000109.9S36 Q40 I53 E54S36-H38 VanDerWaalsContact CB-CE1 3.49Å; S36-H38 WeakPolarHBondContact CB-CE1 3.36Å; S36-H38 PolarHBondContact OG-CE1 3.37Å; H38-Q40 PolarHBondContact O-N 2.74Å; H38-I53 CarbonylContact O-C 3.49Å; H38-I53 WeakPolarHBondContact O-CA 2.96Å; H38-E54 HydrophobicContact CB-CB 4.43Å; H38-E54 PolarHBondContact N-O 3.37Å; H38-E54 PolarHBondContact O-N 2.89Å
39E84.8Confident84.3Confident134 Ų13474.7 Ų74.763%0.62640%0.397SS*.EExtended strand (participates in β ladder)trans-80.3117.3168.8-170.8177.6162.100108.8I51E39-I51 HydrophobicContact CG-CG2 3.44Å; E39-I51 VanDerWaalsContact CG-CG2 3.44Å; E39-I51 WeakPolarHBondContact OE1-CG2 3.11Å
40Q80.4Confident83.7Confident96 Ų9679.2 Ų79.245%0.44942%0.418SS..EExtended strand (participates in β ladder)trans-110.6121176.4-166.2177.412.200109.1H38 H52H38-Q40 PolarHBondContact O-N 2.74Å; Q40-H52 PolarHBondContact N-O 3.34Å; Q40-H52 PolarHBondContact O-N 2.87Å
41V81.5Confident83.1Confident73 Ų7383.9 Ų83.944%0.44244%0.442SS..EExtended strand (participates in β ladder)trans-95.1114.2173.4-174.10000107.7D49 I51V41-D49 HydrophobicContact CG1-CB 4.09Å; V41-I51 HydrophobicContact CG2-CG1 4.34Å
42T77.1Confident82.5Confident67 Ų6787 Ų8741%0.41146%0.457SS..EExtended strand (participates in β ladder)trans-89.7111.7171.4-55.30000108S44 H50T42-S44 PolarHBondContact O-N 2.86Å; T42-H50 PolarHBondContact N-O 2.71Å; T42-H50 PolarHBondContact O-N 2.7Å
43I78.4Confident82Confident141 Ų14191.5 Ų91.572%0.72348%0.479SS*.  trans-80.3113.5174-56.3172.3000107
44S78.1Confident81.7Confident40 Ų4093.8 Ų93.828%0.2849%0.49SS..  trans-99.1160171.747.10000110.7T42 S46 S48T42-S44 PolarHBondContact O-N 2.86Å; S44-S46 PolarHBondContact O-N 3.07Å; S44-S46 VanDerWaalsContact O-O 3.08Å; S44-S46 PolarHBondContact OG-OG 3Å; S44-S48 PolarHBondContact OG-O 3.14Å
45D82.8Confident81.6Confident185 Ų18588.8 Ų88.899%0.98947%0.466SS*.SBendtrans-65.2-6.3173.7-66.3-24.8000113.3
46S76.2Confident81.7Confident63 Ų6386.8 Ų86.844%0.44145%0.451SS..SBendtrans-87.1150.5169.955.70000111.8S44 S48S44-S46 PolarHBondContact O-N 3.07Å; S44-S46 VanDerWaalsContact O-O 3.08Å; S44-S46 PolarHBondContact OG-OG 3Å; S46-S48 PolarHBondContact O-N 3.15Å
47Q69.1Low81.9Confident212 Ų21285.1 Ų85.199%0.99144%0.44SS*.SBendtrans-62-2-178.4-73.3-177.3-17.200115.7
48S75.9Confident82.3Confident58 Ų5883.2 Ų83.241%0.40643%0.434SS..  trans-108.8114.6-177.559.40000111S44 S46 H50S44-S48 PolarHBondContact OG-O 3.14Å; S46-S48 PolarHBondContact O-N 3.15Å; S48-H50 PolarHBondContact O-ND1 3.46Å; S48-H50 PolarHBondContact OG-CE1 3.28Å
49D76.1Confident82.8Confident107 Ų10778.8 Ų78.857%0.57241%0.414SS*.  trans-67.9142.3170.9-64.5-29.9000110.8V41V41-D49 HydrophobicContact CG1-CB 4.09Å
50H76.9Confident83.2Confident95 Ų9576 Ų7644%0.4440%0.4SS..EExtended strand (participates in β ladder)trans-113.9109.1175.4-71.39.8000109.5T42 S48T42-H50 PolarHBondContact N-O 2.71Å; T42-H50 PolarHBondContact O-N 2.7Å; S48-H50 PolarHBondContact O-ND1 3.46Å; S48-H50 PolarHBondContact OG-CE1 3.28Å
51I79.6Confident83.9Confident100 Ų10073.9 Ų73.951%0.51339%0.39SS..EExtended strand (participates in β ladder)trans-88.7123.5178.3-57.1176000109.1E39 V41E39-I51 HydrophobicContact CG-CG2 3.44Å; E39-I51 VanDerWaalsContact CG-CG2 3.44Å; E39-I51 WeakPolarHBondContact OE1-CG2 3.11Å; V41-I51 HydrophobicContact CG2-CG1 4.34Å
52H81.6Confident84.4Confident66 Ų6671.7 Ų71.731%0.30638%0.375SS..EExtended strand (participates in β ladder)trans-127.3140.2177-62.3-15.6000110.3Q40Q40-H52 PolarHBondContact N-O 3.34Å; Q40-H52 PolarHBondContact O-N 2.87Å
53I83.1Confident85Confident93 Ų9370 Ų7048%0.47736%0.364SS..EExtended strand (participates in β ladder)trans-95.7113.5177.3-58.3172.7000108.7S2 F37 H38S2-I53 PolarHBondContact OG-O 3.36Å; F37-I53 HydrophobicContact CB-CG2 4.26Å; H38-I53 CarbonylContact O-C 3.49Å; H38-I53 WeakPolarHBondContact O-CA 2.96Å
54E86.9Confident85.4Confident51 Ų5164.6 Ų64.624%0.23834%0.341CS..EExtended strand (participates in β ladder)trans-85.4120.6174.4-164-172-173.500109.7S2 F37 H38 I56S2-E54 WeakPolarHBondContact OG-CA 3.37Å; S2-E54 PolarHBondContact OG-N 3.17Å; F37-E54 CarbonylContact C-O 3.47Å; F37-E54 WeakPolarHBondContact CA-O 3.43Å; H38-E54 HydrophobicContact CB-CB 4.43Å; H38-E54 PolarHBondContact N-O 3.37Å; H38-E54 PolarHBondContact O-N 2.89Å; E54-I56 HydrophobicContact CG-CD1 4.21Å; E54-I56 HydrophobicContact CG-CG1 4.02Å
55E90.6Very high85.4Confident9 Ų963.1 Ų63.14%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-103.8114.8178.8176.6174.4-146.400108.7P4 S5 F37 Y57 H129 R157P4-E55 CarbonylContact C-O 3.57Å; P4-E55 VanDerWaalsContact CA-O 3.28Å; P4-E55 WeakPolarHBondContact CA-O 3.34Å; P4-E55 HydrophobicContact CB-CB 4.05Å; P4-E55 HydrophobicContact CB-CG 4.16Å; S5-E55 PolarHBondContact N-O 2.89Å; F37-E55 HydrophobicContact CD1-CB 4.07Å; F37-E55 HydrophobicContact CD1-CG 3.98Å; F37-E55 HydrophobicContact CE1-CB 4.13Å; F37-E55 HydrophobicContact CE1-CG 3.55Å; F37-E55 VanDerWaalsContact CE1-OE1 3.26Å; F37-E55 WeakPolarHBondContact CE1-OE1 3.4Å; F37-E55 HydrophobicContact CZ-CG 4.28Å; E55-Y57 VanDerWaalsContact CD-CZ 3.45Å; E55-Y57 HydrophobicContact CG-CD2 4.45Å; E55-Y57 HydrophobicContact CG-CE1 4.22Å; E55-Y57 HydrophobicContact CG-CE2 3.75Å; E55-Y57 PolarHBondContact OE1-OH 3.41Å; E55-Y57 PolarHBondContact OE2-OH 3.41Å; E55-H129 IonicContact OE1-CE1 3.86Å; E55-H129 IonicContact OE1-CG 3.55Å; E55-H129 IonicContact OE1-ND1 2.87Å; E55-H129 PolarHBondContact OE1-ND1 3.06Å; E55-R157 IonicContact OE2-CZ 3.38Å; E55-R157 IonicContact OE2-NE 3.74Å; E55-R157 IonicContact OE2-NH2 3.19Å; E55-R157 PolarHBondContact OE2-NH2 3.35Å
56I93.3Very high84.4Confident5 Ų562.7 Ų62.73%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-120.9120.4-177.2-58162.1000108.8S5 R7 S36 E54S5-I56 WeakPolarHBondContact O-CA 3.35Å; R7-I56 HydrophobicContact CG-CG2 3.91Å; R7-I56 VanDerWaalsContact NH2-CD1 3.34Å; S36-I56 PolarHBondContact N-O 3.08Å; S36-I56 PolarHBondContact O-N 2.76Å; S36-I56 PolarHBondContact OG-O 3.47Å; E54-I56 HydrophobicContact CG-CD1 4.21Å; E54-I56 HydrophobicContact CG-CG1 4.02Å
57Y94.8Very high83.7Confident1 Ų167 Ų670%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-99.9109.8173.2-53.9-80.2000110P4 S5 V6 R7 E55 H129 I131 I164P4-Y57 HydrophobicContact CB-CE2 4.15Å; S5-Y57 WeakPolarHBondContact O-CD2 3.35Å; S5-Y57 PolarHBondContact O-N 3.46Å; V6-Y57 CarbonylContact C-O 3.56Å; V6-Y57 WeakPolarHBondContact CA-O 3.41Å; V6-Y57 HydrophobicContact CG2-CD2 4.21Å; R7-Y57 PolarHBondContact N-O 2.93Å; E55-Y57 VanDerWaalsContact CD-CZ 3.45Å; E55-Y57 HydrophobicContact CG-CD2 4.45Å; E55-Y57 HydrophobicContact CG-CE1 4.22Å; E55-Y57 HydrophobicContact CG-CE2 3.75Å; E55-Y57 PolarHBondContact OE1-OH 3.41Å; E55-Y57 PolarHBondContact OE2-OH 3.41Å; Y57-H129 HydrophobicContact CE1-CB 4.03Å; Y57-H129 WeakPolarHBondContact CE1-O 3.48Å; Y57-H129 PolarHBondContact OH-O 3.3Å; Y57-I131 HydrophobicContact CD1-CG2 3.87Å; Y57-I131 HydrophobicContact CD2-CG2 3.57Å; Y57-I131 HydrophobicContact CE1-CG2 3.88Å; Y57-I131 HydrophobicContact CE2-CG2 3.53Å; Y57-I131 HydrophobicContact CG-CD1 4.49Å; Y57-I131 HydrophobicContact CG-CG2 3.69Å; Y57-I164 HydrophobicContact CD2-CD1 4.15Å; Y57-I164 HydrophobicContact CE2-CD1 4.08Å
58N95.2Very high83Confident56 Ų5660.5 Ų60.530%0.29931%0.31SS..EExtended strand (participates in β ladder)trans-95.5109179.2-171.222.9000110.5G33 E34 I97G33-N58 WeakPolarHBondContact CA-O 3.36Å; E34-N58 PolarHBondContact N-O 3.07Å; E34-N58 PolarHBondContact O-N 3.49Å; N58-I97 WeakPolarHBondContact O-CD1 3.31Å
59I96.1Very high81.7Confident3 Ų360.6 Ų60.62%0.01531%0.305CS..EExtended strand (participates in β ladder)trans-82.8114.9177.3-60.2178.3000109.1V6 R7 I8 V12 V31 I97 I131V6-I59 HydrophobicContact CG1-CD1 3.4Å; V6-I59 VanDerWaalsContact CG1-CD1 3.4Å; V6-I59 HydrophobicContact CG1-CG1 3.89Å; R7-I59 PolarHBondContact O-N 3.14Å; I8-I59 HydrophobicContact CB-CB 4.26Å; I8-I59 HydrophobicContact CB-CD1 4.49Å; I8-I59 HydrophobicContact CD1-CB 4.39Å; I8-I59 HydrophobicContact CD1-CD1 4.21Å; I8-I59 HydrophobicContact CD1-CG2 4.09Å; I8-I59 HydrophobicContact CG1-CB 4.1Å; I8-I59 HydrophobicContact CG1-CG2 4.11Å; V12-I59 HydrophobicContact CG1-CG2 3.99Å; V31-I59 HydrophobicContact CG1-CB 3.96Å; V31-I59 HydrophobicContact CG1-CD1 3.73Å; V31-I59 HydrophobicContact CG1-CG1 3.54Å; V31-I59 HydrophobicContact CG1-CG2 3.37Å; I59-I97 HydrophobicContact CG1-CD1 3.97Å; I59-I131 HydrophobicContact CD1-CD1 4.04Å; I59-I131 HydrophobicContact CG1-CD1 4.26Å
60Q94.4Very high80.5Confident74 Ų7456 Ų5635%0.34628%0.281SS..EExtended strand (participates in β ladder)trans-101.4-35.1-178.6-66.8174.2-10.500112.1V12 L32 E34V12-Q60 WeakPolarHBondContact CG2-O 3.4Å; L32-Q60 PolarHBondContact O-N 3.04Å; E34-Q60 VanDerWaalsContact CD-NE2 3.27Å; E34-Q60 PolarHBondContact OE1-NE2 3.28Å
61K93.3Very high78.9Confident53 Ų5351.9 Ų51.923%0.2326%0.263CS..EExtended strand (participates in β ladder)trans-156.8169.4179.666.1-179.6179.6-178.50112.4L32 N91 D94L32-K61 HydrophobicContact CB-CD 4.44Å; L32-K61 HydrophobicContact CB-CG 3.75Å; L32-K61 HydrophobicContact CD1-CG 4.05Å; L32-K61 HydrophobicContact CG-CG 4.44Å; L32-K61 PolarHBondContact N-O 3.38Å; L32-K61 PolarHBondContact O-N 2.71Å; L32-K61 VanDerWaalsContact O-N 3.12Å; K61-N91 PolarHBondContact NZ-OD1 3.35Å; K61-D94 WeakPolarHBondContact CE-OD1 3.25Å; K61-D94 WeakPolarHBondContact CE-OD2 3.26Å; K61-D94 IonicContact NZ-OD1 3.33Å; K61-D94 PolarHBondContact NZ-OD1 2.81Å; K61-D94 IonicContact NZ-OD2 2.58Å; K61-D94 PolarHBondContact NZ-OD2 2.67Å
62H92.7Very high77.2Confident26 Ų2650 Ų5012%0.1226%0.262CS..EExtended strand (participates in β ladder)trans-136.1154175.265.9-72.7000111S15 L16 Q19 L30 Y100S15-H62 PolarHBondContact OG-CE1 3.14Å; S15-H62 VanDerWaalsContact OG-CE1 3.25Å; L16-H62 HydrophobicContact CD2-CB 3.88Å; L16-H62 VanDerWaalsContact CD2-CD2 3.4Å; L16-H62 WeakPolarHBondContact CD2-CD2 3.23Å; L16-H62 HydrophobicContact CG-CB 4.38Å; Q19-H62 VanDerWaalsContact CD-NE2 3.27Å; Q19-H62 PolarHBondContact NE2-NE2 3.1Å; Q19-H62 PolarHBondContact OE1-CD2 3.23Å; Q19-H62 PolarHBondContact OE1-NE2 3.1Å; L30-H62 CarbonylContact O-C 3.56Å; L30-H62 VanDerWaalsContact O-CA 3.25Å; L30-H62 WeakPolarHBondContact O-CA 3.46Å; H62-Y100 HydrophobicContact CB-CD1 4.41Å; H62-Y100 HydrophobicContact CB-CE1 3.86Å
63V89.9Confident75.6Confident32 Ų3247.5 Ų47.519%0.19425%0.251CS..EExtended strand (participates in β ladder)trans-126.6117176.3175.90000108.1G29 L30 L32G29-V63 CarbonylContact C-O 3.51Å; G29-V63 WeakPolarHBondContact CA-O 3.27Å; L30-V63 PolarHBondContact N-O 2.86Å; L30-V63 PolarHBondContact O-N 2.9Å; L32-V63 HydrophobicContact CD1-CB 4.27Å; L32-V63 HydrophobicContact CD1-CG2 3.61Å
64A86.9Confident74Confident28 Ų2846.3 Ų46.323%0.23125%0.251CS..EExtended strand (participates in β ladder)trans-80.4140.6179.500000111.7L66 Y100A64-L66 PolarHBondContact O-N 2.82Å; A64-Y100 VanDerWaalsContact CA-OH 3.25Å; A64-Y100 WeakPolarHBondContact CA-OH 3.42Å; A64-Y100 WeakPolarHBondContact CB-OH 3.3Å
65C77.5Confident72.5Confident9 Ų950.2 Ų50.26%0.06128%0.284CS..  trans-91.1102172.7-57.90000109.7E28 K67 I70 M87E28-C65 HydrophobicContact CG-CB 3.95Å; E28-C65 WeakPolarHBondContact O-CB 3.22Å; E28-C65 PolarHBondContact O-N 3.33Å; C65-K67 VanDerWaalsContact C-N 3.26Å; C65-K67 CarbonylContact C-O 3.59Å; C65-K67 WeakPolarHBondContact CB-O 3.36Å; C65-K67 CarbonylContact O-C 3.53Å; C65-K67 PolarHBondContact O-N 3.3Å; C65-I70 HydrophobicContact CB-CG1 4.46Å; C65-I70 WeakPolarHBondContact SG-CD1 3.42Å; C65-I70 WeakPolarHBondContact SG-CG1 3.14Å; C65-M87 HydrophobicContact CB-SD 4.23Å; C65-M87 PolarHBondContact SG-SD 2.84Å
66L62.8Low71Confident176 Ų17652.3 Ų52.392%0.92130%0.299SS*.SBendtrans-67-26.6-177.7-67.2171.2000113.7A64A64-L66 PolarHBondContact O-N 2.82Å
67K60.7Low69.5Low153 Ų15352.2 Ų52.267%0.66530%0.3SS*.SBendtrans-100.9139.5160.9-68.9174.1-176.7167.30105.4C65 N69C65-K67 VanDerWaalsContact C-N 3.26Å; C65-K67 CarbonylContact C-O 3.59Å; C65-K67 WeakPolarHBondContact CB-O 3.36Å; C65-K67 CarbonylContact O-C 3.53Å; C65-K67 PolarHBondContact O-N 3.3Å; K67-N69 HydrophobicContact CB-CB 4.25Å; K67-N69 WeakPolarHBondContact CB-ND2 3.09Å; K67-N69 PolarHBondContact O-N 3.29Å
68L54.3Low68.1Low75 Ų7558.1 Ų58.139%0.39333%0.327SS..THydrogen-bonded Turntrans-58.835.9170.7-74.7169.9000111.9D26 E28 S71 A72D26-L68 WeakPolarHBondContact O-CD2 3.28Å; E28-L68 WeakPolarHBondContact OE1-CA 3.39Å; L68-S71 CarbonylContact O-C 3.53Å; L68-S71 PolarHBondContact O-N 3.43Å; L68-S71 PolarHBondContact O-OG 2.89Å; L68-A72 WeakPolarHBondContact O-CA 3.37Å; L68-A72 WeakPolarHBondContact O-CB 3.31Å; L68-A72 PolarHBondContact O-N 3.29Å
69N49.5Very low66.9Low60 Ų6057 Ų5732%0.32132%0.322SS..THydrogen-bonded Turntrans-83.9-19.4-167.6-75.6-8.8000113.6K67 S71 V83K67-N69 HydrophobicContact CB-CB 4.25Å; K67-N69 WeakPolarHBondContact CB-ND2 3.09Å; K67-N69 PolarHBondContact O-N 3.29Å; N69-S71 PolarHBondContact O-N 3.39Å; N69-V83 HydrophobicContact CB-CG1 4.13Å
70I50.4Low65.8Low10 Ų1060.6 Ų60.65%0.05134%0.341CS..SBendtrans-69.4-27168.2-65.9-172.6000110.2E28 L30 C65 I73 M87 L121E28-I70 HydrophobicContact CG-CB 4.11Å; E28-I70 PolarHBondContact OE1-N 2.88Å; L30-I70 HydrophobicContact CD2-CD1 3.86Å; L30-I70 HydrophobicContact CG-CD1 3.92Å; C65-I70 HydrophobicContact CB-CG1 4.46Å; C65-I70 WeakPolarHBondContact SG-CD1 3.42Å; C65-I70 WeakPolarHBondContact SG-CG1 3.14Å; I70-I73 WeakPolarHBondContact O-CD1 2.91Å; I70-I73 WeakPolarHBondContact O-CG1 2.91Å; I70-M87 HydrophobicContact CD1-CE 3.59Å; I70-M87 HydrophobicContact CG1-CE 3.74Å; I70-L121 HydrophobicContact CG2-CD1 4.4Å
71S44Very low64.9Low9 Ų961.1 Ų61.16%0.06335%0.346CS..SBendtrans-113.35.4173.564.70000114.9E28 L68 N69 I73 R101 R113E28-S71 VanDerWaalsContact CD-CB 3.49Å; E28-S71 VanDerWaalsContact CD-N 3.25Å; E28-S71 WeakPolarHBondContact OE1-CA 3.23Å; E28-S71 VanDerWaalsContact OE1-CB 3.31Å; E28-S71 WeakPolarHBondContact OE1-CB 3.46Å; E28-S71 PolarHBondContact OE1-N 3.39Å; E28-S71 PolarHBondContact OE1-OG 3.25Å; E28-S71 WeakPolarHBondContact OE2-CB 3.37Å; E28-S71 PolarHBondContact OE2-N 2.58Å; E28-S71 PolarHBondContact OE2-OG 2.95Å; L68-S71 CarbonylContact O-C 3.53Å; L68-S71 PolarHBondContact O-N 3.43Å; L68-S71 PolarHBondContact O-OG 2.89Å; N69-S71 PolarHBondContact O-N 3.39Å; S71-I73 VanDerWaalsContact C-N 3.27Å; S71-I73 VanDerWaalsContact CA-CG1 3.48Å; S71-R101 VanDerWaalsContact CB-NH1 3.27Å; S71-R101 PolarHBondContact OG-NH1 3.28Å; S71-R113 PolarHBondContact O-NH1 2.77Å; S71-R113 PolarHBondContact O-NH2 3.12Å
72A44.3Very low64.2Low60 Ų6064 Ų6450%0.49637%0.365SS..  trans-106.123.7168.600000108.6L68 S74L68-A72 WeakPolarHBondContact O-CA 3.37Å; L68-A72 WeakPolarHBondContact O-CB 3.31Å; L68-A72 PolarHBondContact O-N 3.29Å; A72-S74 PolarHBondContact O-N 3.23Å
73I47.7Very low63.4Low14 Ų1464.2 Ų64.27%0.07237%0.367CS..  -6.3112.8110.9-49.4-179.4000112I70 S71 E78 R113 V117I70-I73 WeakPolarHBondContact O-CD1 2.91Å; I70-I73 WeakPolarHBondContact O-CG1 2.91Å; S71-I73 VanDerWaalsContact C-N 3.27Å; S71-I73 VanDerWaalsContact CA-CG1 3.48Å; I73-E78 WeakPolarHBondContact CG1-O 3.46Å; I73-E78 WeakPolarHBondContact CG2-O 3.45Å; I73-R113 PolarHBondContact O-NH2 3.34Å; I73-V117 HydrophobicContact CD1-CB 4.41Å; I73-V117 HydrophobicContact CD1-CG1 4.39Å; I73-V117 HydrophobicContact CD1-CG2 3.18Å
74S49Very low62.8Low68 Ų6863 Ų6348%0.47636%0.36SS..  trans-32155.3152.1168.80000111.2A72 S76 G77A72-S74 PolarHBondContact O-N 3.23Å; S74-S76 WeakPolarHBondContact CB-OG 3.21Å; S74-S76 PolarHBondContact O-N 3.04Å; S74-S76 PolarHBondContact OG-N 3.14Å; S74-S76 PolarHBondContact OG-OG 2.84Å; S74-S76 VanDerWaalsContact OG-OG 3.14Å; S74-G77 PolarHBondContact O-N 3.33Å; S74-G77 VanDerWaalsContact O-N 3.15Å
75S54.3Low62.4Low134 Ų13468.1 Ų68.194%0.93738%0.379SS*.THydrogen-bonded Turntrans-47.8-13.8171.647.60000114.5
76S60.3Low62.6Low52 Ų5274.6 Ų74.636%0.36441%0.408SS..THydrogen-bonded Turntrans-81.7-8.8178.867.70000118.6S74 K120S74-S76 WeakPolarHBondContact CB-OG 3.21Å; S74-S76 PolarHBondContact O-N 3.04Å; S74-S76 PolarHBondContact OG-N 3.14Å; S74-S76 PolarHBondContact OG-OG 2.84Å; S74-S76 VanDerWaalsContact OG-OG 3.14Å; S76-K120 PolarHBondContact O-NZ 3.37Å; S76-K120 VanDerWaalsContact O-NZ 3.07Å
77G60.5Low63.3Low3 Ų368 Ų683%0.03137%0.373CS..  trans83.76.3-18000000115.9S74 K120S74-G77 PolarHBondContact O-N 3.33Å; S74-G77 VanDerWaalsContact O-N 3.15Å; G77-K120 WeakPolarHBondContact O-CD 3.36Å; G77-K120 WeakPolarHBondContact O-CE 3.28Å; G77-K120 PolarHBondContact O-NZ 3.47Å
78E65.6Low64.2Low126 Ų12662.3 Ų62.359%0.58935%0.35SS*.  trans-72.4137.6179.2-68.4178.5-177.700116.1I73I73-E78 WeakPolarHBondContact CG1-O 3.46Å; I73-E78 WeakPolarHBondContact CG2-O 3.45Å
79V69.8Low65.4Low31 Ų3160.9 Ų60.919%0.18835%0.349CS..  trans-89.8126.1177.61770000109.3L81 K120 L121V79-L81 PolarHBondContact O-N 3.32Å; V79-K120 HydrophobicContact CG2-CB 3.8Å; V79-L121 HydrophobicContact CG1-CD2 3.76Å; V79-L121 HydrophobicContact CG2-CD2 4.08Å; V79-L121 HydrophobicContact CG2-CG 4.03Å
80N74.2Confident66.6Low79 Ų7965.4 Ų65.442%0.42237%0.373SS..  trans-81.8109.1173.7-171.8-32.2000110.2D82 V83 L84N80-D82 VanDerWaalsContact C-N 3.34Å; N80-D82 WeakPolarHBondContact OD1-CB 3.23Å; N80-D82 PolarHBondContact OD1-N 3.28Å; N80-V83 HydrophobicContact CB-CB 4.32Å; N80-V83 HydrophobicContact CB-CG2 4.15Å; N80-V83 PolarHBondContact OD1-N 3.42Å; N80-L84 PolarHBondContact O-N 3.12Å
81L76Confident67.9Low85 Ų8566.4 Ų66.445%0.44538%0.379SS..Hα-helixtrans-68.2-30.6-179.6-70.2173.8000113.1V79 L84 Q85 A124V79-L81 PolarHBondContact O-N 3.32Å; L81-L84 HydrophobicContact CD2-CD2 4.25Å; L81-L84 WeakPolarHBondContact O-CB 3.43Å; L81-L84 PolarHBondContact O-N 3.45Å; L81-Q85 WeakPolarHBondContact O-CG 3.35Å; L81-Q85 PolarHBondContact O-N 3.2Å; L81-A124 HydrophobicContact CD2-CB 3.77Å
82D77.9Confident69.1Low115 Ų11574.8 Ų74.862%0.61541%0.414SS*.Hα-helixtrans-69-44.2-178.1-56.5-33.5000110.2N80 L84 Q85 E86N80-D82 VanDerWaalsContact C-N 3.34Å; N80-D82 WeakPolarHBondContact OD1-CB 3.23Å; N80-D82 PolarHBondContact OD1-N 3.28Å; D82-L84 VanDerWaalsContact C-N 3.28Å; D82-L84 PolarHBondContact O-N 2.99Å; D82-Q85 PolarHBondContact O-N 2.69Å; D82-E86 PolarHBondContact O-N 3.35Å
83V75.4Confident70.1Confident29 Ų2981.1 Ų81.118%0.17643%0.433CS..Hα-helixtrans-63.5-37.5173.9177.70000110.8N69 N80 E86 M87N69-V83 HydrophobicContact CB-CG1 4.13Å; N80-V83 HydrophobicContact CB-CB 4.32Å; N80-V83 HydrophobicContact CB-CG2 4.15Å; N80-V83 PolarHBondContact OD1-N 3.42Å; V83-E86 PolarHBondContact O-N 2.76Å; V83-M87 HydrophobicContact CG1-CE 4.25Å; V83-M87 HydrophobicContact CG1-SD 4.47Å; V83-M87 WeakPolarHBondContact O-CG 3.42Å; V83-M87 PolarHBondContact O-N 2.87Å
84L77.6Confident71.6Confident7 Ų783 Ų834%0.03744%0.444CS..Hα-helixtrans-63.8-42.4176.3-172.662.8000111.5L30 N80 L81 D82 M87 L88 L125L30-L84 HydrophobicContact CD1-CD1 3.46Å; L30-L84 VanDerWaalsContact CD1-CD1 3.46Å; L30-L84 HydrophobicContact CD2-CD1 4.24Å; L30-L84 HydrophobicContact CG-CD1 4.41Å; N80-L84 PolarHBondContact O-N 3.12Å; L81-L84 HydrophobicContact CD2-CD2 4.25Å; L81-L84 WeakPolarHBondContact O-CB 3.43Å; L81-L84 PolarHBondContact O-N 3.45Å; D82-L84 VanDerWaalsContact C-N 3.28Å; D82-L84 PolarHBondContact O-N 2.99Å; L84-M87 HydrophobicContact CD1-CE 4.37Å; L84-L88 HydrophobicContact CD1-CD1 4.2Å; L84-L88 HydrophobicContact CG-CD1 4.11Å; L84-L88 WeakPolarHBondContact O-CB 3.38Å; L84-L88 VanDerWaalsContact O-CG 3.23Å; L84-L88 WeakPolarHBondContact O-CG 3.42Å; L84-L88 PolarHBondContact O-N 3.33Å; L84-L88 VanDerWaalsContact O-N 3.16Å; L84-L125 HydrophobicContact CD2-CD1 4.43Å; L84-L125 HydrophobicContact CD2-CD2 3.67Å; L84-L125 HydrophobicContact CD2-CG 4Å; L84-L125 HydrophobicContact CG-CD2 4.42Å
85Q79.8Confident73.5Confident136 Ų13683 Ų8364%0.63644%0.444SS*.Hα-helixtrans-67.5-39.9176.2-73.9177.97.700112.3L81 D82 L88 A89L81-Q85 WeakPolarHBondContact O-CG 3.35Å; L81-Q85 PolarHBondContact O-N 3.2Å; D82-Q85 PolarHBondContact O-N 2.69Å; Q85-L88 CarbonylContact O-C 3.19Å; Q85-L88 PolarHBondContact O-N 3.46Å; Q85-A89 PolarHBondContact O-N 3.11Å
86E81.6Confident75.2Confident145 Ų14577.4 Ų77.468%0.67840%0.404SS*.Hα-helixtrans-60.5-46.4175.8-172.4-177.8178.400111.2D82 V83 L88 A89D82-E86 PolarHBondContact O-N 3.35Å; V83-E86 PolarHBondContact O-N 2.76Å; E86-L88 VanDerWaalsContact C-N 3.26Å; E86-L88 PolarHBondContact O-N 2.89Å; E86-A89 VanDerWaalsContact O-CB 3.23Å; E86-A89 WeakPolarHBondContact O-CB 3.15Å; E86-A89 PolarHBondContact O-N 3.49Å
87M77.1Confident76.8Confident36 Ų3675 Ų7518%0.17739%0.387CS..Hα-helixtrans-67.1-27.3178.1-69.4-171.8-54.600113.7L30 C65 I70 V83 L84L30-M87 HydrophobicContact CD1-CE 4.27Å; C65-M87 HydrophobicContact CB-SD 4.23Å; C65-M87 PolarHBondContact SG-SD 2.84Å; I70-M87 HydrophobicContact CD1-CE 3.59Å; I70-M87 HydrophobicContact CG1-CE 3.74Å; V83-M87 HydrophobicContact CG1-CE 4.25Å; V83-M87 HydrophobicContact CG1-SD 4.47Å; V83-M87 WeakPolarHBondContact O-CG 3.42Å; V83-M87 PolarHBondContact O-N 2.87Å; L84-M87 HydrophobicContact CD1-CE 4.37Å
88L78.8Confident78.4Confident34 Ų3474.9 Ų74.918%0.17839%0.385CS..Hα-helixtrans-92.3-1.7177.9-64.6172.7000112.8L30 L32 L84 Q85 E86 D90 N91 V96L30-L88 HydrophobicContact CD1-CD2 4.03Å; L30-L88 HydrophobicContact CD1-CG 4.29Å; L32-L88 HydrophobicContact CD2-CD2 3.96Å; L84-L88 HydrophobicContact CD1-CD1 4.2Å; L84-L88 HydrophobicContact CG-CD1 4.11Å; L84-L88 WeakPolarHBondContact O-CB 3.38Å; L84-L88 VanDerWaalsContact O-CG 3.23Å; L84-L88 WeakPolarHBondContact O-CG 3.42Å; L84-L88 PolarHBondContact O-N 3.33Å; L84-L88 VanDerWaalsContact O-N 3.16Å; Q85-L88 CarbonylContact O-C 3.19Å; Q85-L88 PolarHBondContact O-N 3.46Å; E86-L88 VanDerWaalsContact C-N 3.26Å; E86-L88 PolarHBondContact O-N 2.89Å; L88-D90 VanDerWaalsContact C-N 3.26Å; L88-D90 PolarHBondContact O-N 3.22Å; L88-N91 CarbonylContact O-C 3.58Å; L88-N91 PolarHBondContact O-N 3.35Å; L88-V96 HydrophobicContact CD1-CG2 3.83Å; L88-V96 HydrophobicContact CD2-CG2 3.54Å; L88-V96 HydrophobicContact CG-CG2 4.35Å
89A80.2Confident79.7Confident46 Ų4669 Ų6938%0.3836%0.358SS..THydrogen-bonded Turntrans-59.5-37.9-174.800000112.6Q85 E86 K92Q85-A89 PolarHBondContact O-N 3.11Å; E86-A89 VanDerWaalsContact O-CB 3.23Å; E86-A89 WeakPolarHBondContact O-CB 3.15Å; E86-A89 PolarHBondContact O-N 3.49Å; A89-K92 VanDerWaalsContact O-CE 3.26Å; A89-K92 WeakPolarHBondContact O-CE 3.29Å; A89-K92 WeakPolarHBondContact O-CG 3.41Å
90D74.6Confident80.9Confident154 Ų15467.5 Ų67.582%0.82435%0.349SS*.THydrogen-bonded Turntrans-85.4-11178.7-61.4-28.6000112.9L88L88-D90 VanDerWaalsContact C-N 3.26Å; L88-D90 PolarHBondContact O-N 3.22Å
91N76.7Confident81.8Confident32 Ų3265.1 Ų65.117%0.17133%0.334CS..  trans-118.137.4-170.3-62.6-73.2000112.6L32 K61 L88 Q93 D94L32-N91 HydrophobicContact CD2-CB 3.99Å; K61-N91 PolarHBondContact NZ-OD1 3.35Å; L88-N91 CarbonylContact O-C 3.58Å; L88-N91 PolarHBondContact O-N 3.35Å; N91-Q93 PolarHBondContact O-N 2.97Å; N91-Q93 VanDerWaalsContact O-N 3.16Å; N91-D94 PolarHBondContact O-N 3.14Å
92K69.6Low82.6Confident185 Ų18561.1 Ų61.180%0.80431%0.313SS*.THydrogen-bonded Turntrans-62.8-22.8-172.3-66.1-179.8-176.6174.70115.1A89A89-K92 VanDerWaalsContact O-CE 3.26Å; A89-K92 WeakPolarHBondContact O-CE 3.29Å; A89-K92 WeakPolarHBondContact O-CG 3.41Å
93Q66.6Low83.4Confident193 Ų19356 Ų5690%0.90229%0.285SS*.THydrogen-bonded Turntrans-87.5-18.2-177.1-64.7-176700112.6N91N91-Q93 PolarHBondContact O-N 2.97Å; N91-Q93 VanDerWaalsContact O-N 3.16Å
94D78.6Confident84.1Confident54 Ų5458.6 Ų58.629%0.28929%0.291SS..SBendtrans-99.9132.4-170.7-52.4-97.7000111.4L32 K61 N91L32-D94 HydrophobicContact CB-CB 4.07Å; L32-D94 HydrophobicContact CD2-CB 3.76Å; K61-D94 WeakPolarHBondContact CE-OD1 3.25Å; K61-D94 WeakPolarHBondContact CE-OD2 3.26Å; K61-D94 IonicContact NZ-OD1 3.33Å; K61-D94 PolarHBondContact NZ-OD1 2.81Å; K61-D94 IonicContact NZ-OD2 2.58Å; K61-D94 PolarHBondContact NZ-OD2 2.67Å; N91-D94 PolarHBondContact O-N 3.14Å
95S87.7Confident84.8Confident68 Ų6863.4 Ų63.448%0.47631%0.314SS..EExtended strand (participates in β ladder)trans-78.3132.7179-1740000110.8L32 G33 I97L32-S95 VanDerWaalsContact CA-O 3.29Å; L32-S95 WeakPolarHBondContact CA-O 3.47Å; G33-S95 PolarHBondContact N-O 3.44Å; G33-S95 WeakPolarHBondContact O-CB 3.03Å; S95-I97 PolarHBondContact O-N 2.67Å
96V90.9Very high85.4Confident16 Ų1659 Ų5910%0.09730%0.298CS..EExtended strand (participates in β ladder)trans-77105.8170.5-1770000108.5L30 L32 L88 L125 N127L30-V96 HydrophobicContact CB-CG1 4.49Å; L30-V96 HydrophobicContact CD2-CG1 4.27Å; L32-V96 HydrophobicContact CD2-CG2 4.25Å; L32-V96 HydrophobicContact CG-CG2 4.42Å; L88-V96 HydrophobicContact CD1-CG2 3.83Å; L88-V96 HydrophobicContact CD2-CG2 3.54Å; L88-V96 HydrophobicContact CG-CG2 4.35Å; V96-L125 HydrophobicContact CB-CD1 4.17Å; V96-L125 HydrophobicContact CG1-CD1 3.71Å; V96-N127 PolarHBondContact O-ND2 3.02Å
97I93.9Very high85.9Confident1 Ų158.6 Ų58.61%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-94.4-17179.657.4163.3000112.3V31 G33 N58 I59 S95 M130 I131V31-I97 HydrophobicContact CG1-CD1 4.31Å; V31-I97 HydrophobicContact CG1-CG1 4.21Å; V31-I97 WeakPolarHBondContact O-CG1 3.14Å; V31-I97 PolarHBondContact O-N 2.87Å; V31-I97 VanDerWaalsContact O-N 3.08Å; G33-I97 WeakPolarHBondContact O-CG2 3.37Å; N58-I97 WeakPolarHBondContact O-CD1 3.31Å; I59-I97 HydrophobicContact CG1-CD1 3.97Å; S95-I97 PolarHBondContact O-N 2.67Å; I97-M130 WeakPolarHBondContact O-CA 3.36Å; I97-I131 PolarHBondContact O-N 3.35Å
98G93.6Very high86.7Confident0 Ų059 Ų590%030%0.297CS..EExtended strand (participates in β ladder)trans-170.3-175.7-175.300000114.7V31 I131V31-G98 PolarHBondContact N-O 3.36Å; V31-G98 PolarHBondContact O-N 3.48Å; V31-G98 VanDerWaalsContact O-N 3.16Å; G98-I131 WeakPolarHBondContact CA-O 3.09Å
99W93.8Very high87.3Confident3 Ų361.7 Ų61.71%0.01131%0.309CS..EExtended strand (participates in β ladder)trans-140.1160.917072-72000109.8G29 L30 R101 E114 V117 H118 L121 M130 I131 F132 L133G29-W99 CarbonylContact O-C 3.57Å; G29-W99 VanDerWaalsContact O-CA 3.29Å; G29-W99 WeakPolarHBondContact O-CA 3.42Å; G29-W99 WeakPolarHBondContact O-CB 3.33Å; L30-W99 HydrophobicContact CD2-CB 4.04Å; W99-R101 HydrophobicContact CZ3-CB 4.29Å; W99-E114 HydrophobicContact CH2-CB 4.06Å; W99-E114 HydrophobicContact CH2-CG 3.92Å; W99-E114 HydrophobicContact CZ2-CB 4.28Å; W99-E114 WeakPolarHBondContact CZ2-O 3.36Å; W99-V117 HydrophobicContact CH2-CB 4.12Å; W99-V117 HydrophobicContact CH2-CG1 3.87Å; W99-V117 HydrophobicContact CZ2-CB 4.11Å; W99-V117 HydrophobicContact CZ2-CG1 3.92Å; W99-V117 HydrophobicContact CZ3-CG1 4.28Å; W99-H118 HydrophobicContact CZ2-CB 4.19Å; W99-H118 AromaticContact NE1-CG 3.86Å; W99-H118 AromaticContact NE1-ND1 3.35Å; W99-H118 PolarHBondContact NE1-ND1 2.83Å; W99-L121 HydrophobicContact CB-CD1 4.18Å; W99-L121 HydrophobicContact CD2-CD1 3.93Å; W99-L121 HydrophobicContact CG-CD1 3.73Å; W99-M130 VanDerWaalsContact CD1-CE 3.41Å; W99-I131 PolarHBondContact N-O 3.3Å; W99-I131 VanDerWaalsContact N-O 3.11Å; W99-F132 AromaticContact CD2-CD2 3.64Å; W99-F132 HydrophobicContact CD2-CD2 3.64Å; W99-F132 AromaticContact CD2-CE2 3.96Å; W99-F132 HydrophobicContact CD2-CE2 3.96Å; W99-F132 AromaticContact CE2-CD2 3.28Å; W99-F132 AromaticContact CE2-CE2 3.74Å; W99-F132 HydrophobicContact CE3-CD2 4.07Å; W99-F132 AromaticContact CE3-CE2 3.89Å; W99-F132 HydrophobicContact CE3-CE2 3.89Å; W99-F132 HydrophobicContact CG-CD2 4.2Å; W99-F132 AromaticContact CH2-CD2 3.93Å; W99-F132 HydrophobicContact CH2-CD2 3.93Å; W99-F132 AromaticContact CH2-CE2 3.48Å; W99-F132 HydrophobicContact CH2-CE2 3.48Å; W99-F132 VanDerWaalsContact CH2-CE2 3.48Å; W99-F132 HydrophobicContact CH2-CZ 4.27Å; W99-F132 AromaticContact CZ2-CD2 3.45Å; W99-F132 HydrophobicContact CZ2-CD2 3.45Å; W99-F132 VanDerWaalsContact CZ2-CD2 3.45Å; W99-F132 AromaticContact CZ2-CE2 3.51Å; W99-F132 HydrophobicContact CZ2-CE2 3.51Å; W99-F132 HydrophobicContact CZ2-CG 4.29Å; W99-F132 HydrophobicContact CZ2-CZ 4.41Å; W99-F132 HydrophobicContact CZ3-CD2 4.21Å; W99-F132 AromaticContact CZ3-CE2 3.67Å; W99-F132 HydrophobicContact CZ3-CE2 3.67Å; W99-F132 AromaticContact NE1-CD2 3.65Å; W99-F132 WeakPolarHBondContact O-CA 3.36Å; W99-L133 PolarHBondContact O-N 2.89Å
100Y94.3Very high87.9Confident0 Ų060 Ų600%029%0.293CS..EExtended strand (participates in β ladder)trans-130.2153.9-179.273.1-88.9000112.4L16 E28 G29 V31 H62 A64 Q102 L133 L135L16-Y100 HydrophobicContact CD2-CD1 4Å; L16-Y100 HydrophobicContact CD2-CD2 3.85Å; L16-Y100 HydrophobicContact CD2-CE1 3.78Å; L16-Y100 HydrophobicContact CD2-CE2 3.62Å; L16-Y100 HydrophobicContact CD2-CG 4.03Å; E28-Y100 VanDerWaalsContact CA-O 3.3Å; E28-Y100 WeakPolarHBondContact CA-O 3.29Å; G29-Y100 VanDerWaalsContact C-CD1 3.44Å; G29-Y100 VanDerWaalsContact C-CE1 3.4Å; G29-Y100 PolarHBondContact N-O 2.52Å; G29-Y100 VanDerWaalsContact N-O 3.09Å; G29-Y100 WeakPolarHBondContact O-CD1 3.42Å; G29-Y100 PolarHBondContact O-N 3.23Å; V31-Y100 HydrophobicContact CG2-CD1 3.77Å; V31-Y100 HydrophobicContact CG2-CG 4.39Å; H62-Y100 HydrophobicContact CB-CD1 4.41Å; H62-Y100 HydrophobicContact CB-CE1 3.86Å; A64-Y100 VanDerWaalsContact CA-OH 3.25Å; A64-Y100 WeakPolarHBondContact CA-OH 3.42Å; A64-Y100 WeakPolarHBondContact CB-OH 3.3Å; Y100-Q102 HydrophobicContact CD2-CG 3.75Å; Y100-Q102 HydrophobicContact CE2-CG 3.82Å; Y100-L133 CarbonylContact C-O 3.39Å; Y100-L133 WeakPolarHBondContact CA-O 3.39Å; Y100-L133 WeakPolarHBondContact CB-O 3.25Å; Y100-L135 HydrophobicContact CD2-CD1 4.44Å
101R93.4Very high88.7Confident29 Ų2955 Ų5511%0.10927%0.268CS..EExtended strand (participates in β ladder)trans-131.6135.1172.2-17377.6-177.7-174.36.7109D26 E28 S71 W99 R103 F132 L133 L134 L135D26-R101 IonicContact OD2-NH2 2.85Å; E28-R101 IonicContact OE2-NH1 2.83Å; E28-R101 PolarHBondContact OE2-NH1 3.38Å; S71-R101 VanDerWaalsContact CB-NH1 3.27Å; S71-R101 PolarHBondContact OG-NH1 3.28Å; W99-R101 HydrophobicContact CZ3-CB 4.29Å; R101-R103 HydrophobicContact CG-CG 3.96Å; R101-F132 HydrophobicContact CB-CE2 3.63Å; R101-F132 HydrophobicContact CB-CZ 3.67Å; R101-L133 PolarHBondContact N-O 2.98Å; R101-L134 HydrophobicContact CB-CD1 4.44Å; R101-L134 WeakPolarHBondContact O-CA 3.31Å; R101-L135 PolarHBondContact O-N 3.39Å
102Q93.6Very high89.3Confident0 Ų061.6 Ų61.60%030%0.296CS..EExtended strand (participates in β ladder)trans-113.1122.4175.8-48.8-175.9-37.800108.1L16 H20 D26 V27 Y100 L135L16-Q102 PolarHBondContact O-NE2 3.16Å; H20-Q102 HydrophobicContact CB-CB 4.38Å; H20-Q102 HydrophobicContact CB-CG 4.48Å; H20-Q102 VanDerWaalsContact ND1-CB 3.31Å; H20-Q102 WeakPolarHBondContact ND1-CB 3.34Å; D26-Q102 VanDerWaalsContact CA-O 3.25Å; D26-Q102 WeakPolarHBondContact CA-O 3.39Å; D26-Q102 VanDerWaalsContact CB-O 3.31Å; D26-Q102 WeakPolarHBondContact CB-O 3.29Å; V27-Q102 HydrophobicContact CB-CB 4.35Å; V27-Q102 HydrophobicContact CB-CG 4.45Å; V27-Q102 PolarHBondContact N-O 3.23Å; V27-Q102 PolarHBondContact O-N 2.63Å; Y100-Q102 HydrophobicContact CD2-CG 3.75Å; Y100-Q102 HydrophobicContact CE2-CG 3.82Å; Q102-L135 CarbonylContact C-O 3.6Å; Q102-L135 WeakPolarHBondContact CA-O 3.41Å; Q102-L135 HydrophobicContact CG-CB 4.32Å; Q102-L135 HydrophobicContact CG-CD1 4.22Å
103R92.9Very high90.1Very high9 Ų957.9 Ų57.93%0.03428%0.277CS..EExtended strand (participates in β ladder)trans-120.4157.3-179.6-53.5-170.3-58.5-139.85.2111.1H20 D26 R101 S106 E107 H109 E114 L134 L135 T136 S137H20-R103 PolarHBondContact NE2-O 3.42Å; H20-R103 VanDerWaalsContact NE2-O 3.1Å; D26-R103 WeakPolarHBondContact OD1-CA 3.29Å; R101-R103 HydrophobicContact CG-CG 3.96Å; R103-S106 PolarHBondContact NE-OG 3.32Å; R103-S106 VanDerWaalsContact NE-OG 3.1Å; R103-S106 PolarHBondContact NH2-OG 3.43Å; R103-E107 PolarHBondContact NH2-O 3.42Å; R103-H109 PolarHBondContact NH1-O 3.38Å; R103-H109 VanDerWaalsContact NH1-O 3.12Å; R103-H109 PolarHBondContact NH2-O 3.19Å; R103-E114 IonicContact CZ-OE1 2.72Å; R103-E114 IonicContact NH1-OE1 3.97Å; R103-E114 PolarHBondContact NH1-OE1 3.04Å; R103-E114 IonicContact NH1-OE2 3.65Å; R103-E114 PolarHBondContact NH1-OE2 2.73Å; R103-L134 HydrophobicContact CG-CD1 4.13Å; R103-L134 VanDerWaalsContact NH2-CD2 3.28Å; R103-L135 PolarHBondContact N-O 2.64Å; R103-T136 HydrophobicContact CB-CG2 4.28Å; R103-T136 WeakPolarHBondContact O-CA 3.5Å; R103-S137 PolarHBondContact O-N 2.78Å
104R91.6Very high91.2Very high83 Ų8349.2 Ų49.231%0.31324%0.236SC..EExtended strand (participates in β ladder)trans-112.5139172.7-64.4173.8174.3-106.5-1.2109.5H20 V21 S23 D26 S106 S137H20-R104 PolarHBondContact O-NH2 3.25Å; V21-R104 PolarHBondContact O-NH2 3.27Å; S23-R104 VanDerWaalsContact O-CZ 3.3Å; S23-R104 PolarHBondContact O-NE 2.94Å; S23-R104 PolarHBondContact O-NH2 3Å; D26-R104 PolarHBondContact OD1-N 2.9Å; R104-S106 VanDerWaalsContact C-N 3.3Å; R104-S106 PolarHBondContact O-N 3.14Å; R104-S137 CarbonylContact C-O 3.56Å; R104-S137 WeakPolarHBondContact CA-O 3.47Å
105H91.1Very high91.8Very high108 Ų10850.7 Ų50.750%0.524%0.24SC..SBendtrans53.743.4174.5-52.8-64.1000113.8S137 R139H105-S137 PolarHBondContact N-O 3.42Å; H105-R139 VanDerWaalsContact CE1-CD 3.49Å; H105-R139 WeakPolarHBondContact CE1-CD 3.13Å; H105-R139 PolarHBondContact CE1-NE 2.76Å
106S92.9Very high91.8Very high44 Ų4450.3 Ų50.331%0.30823%0.232SC..  trans-131153.2-175.2-174.40000111.4R103 R104 T136R103-S106 PolarHBondContact NE-OG 3.32Å; R103-S106 VanDerWaalsContact NE-OG 3.1Å; R103-S106 PolarHBondContact NH2-OG 3.43Å; R104-S106 VanDerWaalsContact C-N 3.3Å; R104-S106 PolarHBondContact O-N 3.14Å; S106-T136 WeakPolarHBondContact O-CB 3.34Å; S106-T136 PolarHBondContact O-OG1 3.16Å
107E91.9Very high91.6Very high136 Ų13649.8 Ų49.864%0.63623%0.229SC*.  trans-68.4163.5176.3-62.1-174.7-178.100112.1R103 H109R103-E107 PolarHBondContact NH2-O 3.42Å; E107-H109 VanDerWaalsContact C-N 3.31Å; E107-H109 PolarHBondContact O-N 3.41Å; E107-H109 IonicContact OE2-CD2 2.73Å; E107-H109 PolarHBondContact OE2-CD2 3.37Å; E107-H109 IonicContact OE2-NE2 3.75Å; E107-H109 PolarHBondContact OE2-NE2 3.07Å
108Q93.4Very high91.4Very high44 Ų4449.7 Ų49.721%0.20623%0.229CC..SBendtrans-89.856.4179.5-79.5-70.8-12.100112.6T136 E150Q108-T136 PolarHBondContact NE2-OG1 3.45Å; Q108-E150 HydrophobicContact CG-CB 3.83Å; Q108-E150 VanDerWaalsContact NE2-CB 3.28Å; Q108-E150 PolarHBondContact NE2-O 2.9Å
109H92.1Very high91.2Very high91 Ų9153.1 Ų53.142%0.42125%0.247SC..SBendtrans-135.7155173.371.669.7000112.3R103 E107R103-H109 PolarHBondContact NH1-O 3.38Å; R103-H109 VanDerWaalsContact NH1-O 3.12Å; R103-H109 PolarHBondContact NH2-O 3.19Å; E107-H109 VanDerWaalsContact C-N 3.31Å; E107-H109 PolarHBondContact O-N 3.41Å; E107-H109 IonicContact OE2-CD2 2.73Å; E107-H109 PolarHBondContact OE2-CD2 3.37Å; E107-H109 IonicContact OE2-NE2 3.75Å; E107-H109 PolarHBondContact OE2-NE2 3.07Å
110M92.1Very high90.9Very high10 Ų1056 Ų565%0.04926%0.259CS..  trans-70.4133.9175.1-63.4-174.669.500111.6E114 K115 H118 F132 F154 F161M110-E114 VanDerWaalsContact CA-OE2 3.25Å; M110-E114 WeakPolarHBondContact CA-OE2 3.43Å; M110-E114 HydrophobicContact CE-CB 4.16Å; M110-K115 HydrophobicContact CB-CG 4.02Å; M110-K115 HydrophobicContact CE-CG 4.11Å; M110-H118 HydrophobicContact CE-CB 4.29Å; M110-F132 HydrophobicContact CE-CB 4.22Å; M110-F132 HydrophobicContact CE-CD1 3.55Å; M110-F132 HydrophobicContact CE-CE1 4.07Å; M110-F132 HydrophobicContact CE-CG 3.94Å; M110-F132 HydrophobicContact CG-CD1 3.61Å; M110-F132 HydrophobicContact CG-CE1 3.67Å; M110-F132 HydrophobicContact SD-CD1 3.7Å; M110-F132 HydrophobicContact SD-CE1 4.33Å; M110-F132 HydrophobicContact SD-CG 4.46Å; M110-F154 HydrophobicContact CG-CB 4.43Å; M110-F154 HydrophobicContact CG-CD1 4.37Å; M110-F154 HydrophobicContact CG-CD2 4.08Å; M110-F154 HydrophobicContact CG-CE2 4.45Å; M110-F154 HydrophobicContact CG-CG 4.04Å; M110-F154 HydrophobicContact SD-CB 3.76Å; M110-F154 HydrophobicContact SD-CD1 4.49Å; M110-F154 HydrophobicContact SD-CD2 4.47Å; M110-F154 HydrophobicContact SD-CG 4Å; M110-F161 HydrophobicContact CE-CD1 3.74Å; M110-F161 HydrophobicContact CE-CE1 3.6Å; M110-F161 HydrophobicContact CE-CG 4.36Å; M110-F161 HydrophobicContact CE-CZ 4.17Å; M110-F161 HydrophobicContact SD-CB 3.87Å; M110-F161 HydrophobicContact SD-CD1 3.22Å; M110-F161 WeakPolarHBondContact SD-CD1 3.36Å; M110-F161 HydrophobicContact SD-CD2 4.4Å; M110-F161 HydrophobicContact SD-CE1 3.77Å; M110-F161 HydrophobicContact SD-CG 3.57Å; M110-F161 VanDerWaalsContact SD-CG 3.57Å
111T91.6Very high90.6Very high49 Ų4956 Ų5630%0.30126%0.26SS..  trans-75.1163.9169.266.40000111.4R113 E114 K115T111-R113 PolarHBondContact O-N 2.85Å; T111-E114 PolarHBondContact N-OE2 2.9Å; T111-E114 PolarHBondContact O-N 3.17Å; T111-E114 VanDerWaalsContact OG1-CG 3.28Å; T111-E114 WeakPolarHBondContact OG1-CG 3.37Å; T111-E114 PolarHBondContact OG1-N 2.68Å; T111-E114 PolarHBondContact OG1-OE1 2.72Å; T111-E114 PolarHBondContact OG1-OE2 3.5Å; T111-K115 WeakPolarHBondContact O-CG 3.23Å; T111-K115 PolarHBondContact O-N 3.1Å; T111-K115 VanDerWaalsContact O-N 3.12Å
112F88.7Confident90.3Very high171 Ų17155.8 Ų55.875%0.7526%0.259SS*.Hα-helixtrans-56-41.6173.4176.1-103.8000112.1K115 L116F112-K115 PolarHBondContact O-N 2.97Å; F112-L116 PolarHBondContact O-N 2.77Å
113R86.4Confident90.1Very high107 Ų10760.3 Ų60.340%0.40429%0.291SS..Hα-helixtrans-61.8-48.7178-169.8-178.1-162.4-175.310.7111.4S71 I73 T111 K115 L116 V117S71-R113 PolarHBondContact O-NH1 2.77Å; S71-R113 PolarHBondContact O-NH2 3.12Å; I73-R113 PolarHBondContact O-NH2 3.34Å; T111-R113 PolarHBondContact O-N 2.85Å; R113-K115 VanDerWaalsContact C-N 3.27Å; R113-K115 PolarHBondContact O-N 2.52Å; R113-L116 PolarHBondContact O-N 3.48Å; R113-L116 VanDerWaalsContact O-N 3.14Å; R113-V117 HydrophobicContact CG-CG2 4.34Å; R113-V117 VanDerWaalsContact O-CG2 3.29Å; R113-V117 WeakPolarHBondContact O-CG2 3.09Å; R113-V117 PolarHBondContact O-N 3.11Å
114E90.2Very high89.7Confident10 Ų1061.7 Ų61.75%0.04730%0.304CS..Hα-helixtrans-59.8-38179.7-72.2156.1-166.800112W99 R103 M110 T111 V117 H118 F132W99-E114 HydrophobicContact CH2-CB 4.06Å; W99-E114 HydrophobicContact CH2-CG 3.92Å; W99-E114 HydrophobicContact CZ2-CB 4.28Å; W99-E114 WeakPolarHBondContact CZ2-O 3.36Å; R103-E114 IonicContact CZ-OE1 2.72Å; R103-E114 IonicContact NH1-OE1 3.97Å; R103-E114 PolarHBondContact NH1-OE1 3.04Å; R103-E114 IonicContact NH1-OE2 3.65Å; R103-E114 PolarHBondContact NH1-OE2 2.73Å; M110-E114 VanDerWaalsContact CA-OE2 3.25Å; M110-E114 WeakPolarHBondContact CA-OE2 3.43Å; M110-E114 HydrophobicContact CE-CB 4.16Å; T111-E114 PolarHBondContact N-OE2 2.9Å; T111-E114 PolarHBondContact O-N 3.17Å; T111-E114 VanDerWaalsContact OG1-CG 3.28Å; T111-E114 WeakPolarHBondContact OG1-CG 3.37Å; T111-E114 PolarHBondContact OG1-N 2.68Å; T111-E114 PolarHBondContact OG1-OE1 2.72Å; T111-E114 PolarHBondContact OG1-OE2 3.5Å; E114-V117 PolarHBondContact O-N 3.01Å; E114-H118 VanDerWaalsContact O-CB 3.23Å; E114-H118 WeakPolarHBondContact O-CB 3.39Å; E114-H118 PolarHBondContact O-N 2.84Å; E114-F132 HydrophobicContact CB-CZ 4.23Å; E114-F132 HydrophobicContact CG-CZ 3.96Å
115K90.8Very high89.4Confident85 Ų8560 Ų6037%0.3730%0.301SS..Hα-helixtrans-61.9-46.5175-65.8175.3-175.5177.30111.8M110 T111 F112 R113 H118 D119 F161M110-K115 HydrophobicContact CB-CG 4.02Å; M110-K115 HydrophobicContact CE-CG 4.11Å; T111-K115 WeakPolarHBondContact O-CG 3.23Å; T111-K115 PolarHBondContact O-N 3.1Å; T111-K115 VanDerWaalsContact O-N 3.12Å; F112-K115 PolarHBondContact O-N 2.97Å; R113-K115 VanDerWaalsContact C-N 3.27Å; R113-K115 PolarHBondContact O-N 2.52Å; K115-H118 PolarHBondContact O-N 3.19Å; K115-D119 PolarHBondContact O-N 3.08Å; K115-D119 VanDerWaalsContact O-N 3.08Å; K115-F161 HydrophobicContact CB-CD2 4.39Å; K115-F161 HydrophobicContact CB-CE2 3.64Å; K115-F161 HydrophobicContact CB-CZ 3.97Å; K115-F161 HydrophobicContact CD-CD2 3.94Å; K115-F161 HydrophobicContact CD-CE2 3.99Å; K115-F161 HydrophobicContact CG-CD2 3.73Å; K115-F161 HydrophobicContact CG-CE2 3.49Å; K115-F161 VanDerWaalsContact CG-CE2 3.49Å; K115-F161 HydrophobicContact CG-CG 4.48Å; K115-F161 HydrophobicContact CG-CZ 4.03Å
116L88.6Confident89.2Confident61 Ų6163.8 Ų63.832%0.31932%0.316SS..Hα-helixtrans-64.2-42.8178.3-178.763.2000112.3F112 R113 H118 D119 K120F112-L116 PolarHBondContact O-N 2.77Å; R113-L116 PolarHBondContact O-N 3.48Å; R113-L116 VanDerWaalsContact O-N 3.14Å; L116-H118 VanDerWaalsContact C-N 3.34Å; L116-D119 PolarHBondContact O-N 2.99Å; L116-K120 HydrophobicContact CD1-CD 4.4Å; L116-K120 HydrophobicContact CG-CD 4.34Å; L116-K120 WeakPolarHBondContact O-CG 3.39Å; L116-K120 PolarHBondContact O-N 2.81Å
117V86.9Confident89Confident4 Ų462.9 Ų62.92%0.02431%0.308CS..Hα-helixtrans-63.2-44177.5173.90000110.8I73 W99 R113 E114 D119 K120 L121I73-V117 HydrophobicContact CD1-CB 4.41Å; I73-V117 HydrophobicContact CD1-CG1 4.39Å; I73-V117 HydrophobicContact CD1-CG2 3.18Å; W99-V117 HydrophobicContact CH2-CB 4.12Å; W99-V117 HydrophobicContact CH2-CG1 3.87Å; W99-V117 HydrophobicContact CZ2-CB 4.11Å; W99-V117 HydrophobicContact CZ2-CG1 3.92Å; W99-V117 HydrophobicContact CZ3-CG1 4.28Å; R113-V117 HydrophobicContact CG-CG2 4.34Å; R113-V117 VanDerWaalsContact O-CG2 3.29Å; R113-V117 WeakPolarHBondContact O-CG2 3.09Å; R113-V117 PolarHBondContact O-N 3.11Å; E114-V117 PolarHBondContact O-N 3.01Å; V117-D119 PolarHBondContact O-N 2.89Å; V117-K120 PolarHBondContact O-N 3.32Å; V117-L121 HydrophobicContact CG1-CD1 3.73Å; V117-L121 HydrophobicContact CG1-CG 4.21Å; V117-L121 WeakPolarHBondContact O-CB 3.26Å; V117-L121 WeakPolarHBondContact O-CG 3.34Å; V117-L121 PolarHBondContact O-N 3.16Å
118H90.2Very high88.8Confident0 Ų060.5 Ų60.50%030%0.304CS..Hα-helixtrans-59-47.3177-177100.4000111.7W99 M110 E114 K115 L116 K120 L121 K122 M130 F161W99-H118 HydrophobicContact CZ2-CB 4.19Å; W99-H118 AromaticContact NE1-CG 3.86Å; W99-H118 AromaticContact NE1-ND1 3.35Å; W99-H118 PolarHBondContact NE1-ND1 2.83Å; M110-H118 HydrophobicContact CE-CB 4.29Å; E114-H118 VanDerWaalsContact O-CB 3.23Å; E114-H118 WeakPolarHBondContact O-CB 3.39Å; E114-H118 PolarHBondContact O-N 2.84Å; K115-H118 PolarHBondContact O-N 3.19Å; L116-H118 VanDerWaalsContact C-N 3.34Å; H118-K120 VanDerWaalsContact C-N 3.32Å; H118-K120 PolarHBondContact O-N 3.16Å; H118-L121 PolarHBondContact O-N 2.84Å; H118-K122 WeakPolarHBondContact NE2-CE 3.32Å; H118-K122 WeakPolarHBondContact O-CB 3.32Å; H118-K122 WeakPolarHBondContact O-CG 3.38Å; H118-K122 PolarHBondContact O-N 3.09Å; H118-M130 HydrophobicContact CB-CE 4.48Å; H118-M130 PolarHBondContact CE1-O 3.25Å; H118-M130 PolarHBondContact NE2-O 3.22Å; H118-M130 WeakPolarHBondContact O-CE 3.32Å; H118-F161 HydrophobicContact CB-CE1 4.19Å; H118-F161 HydrophobicContact CB-CZ 4.34Å; H118-F161 AromaticContact CD2-CE1 3.46Å; H118-F161 VanDerWaalsContact CD2-CE1 3.46Å; H118-F161 WeakPolarHBondContact CD2-CE1 3.48Å; H118-F161 AromaticContact CD2-CZ 3.9Å; H118-F161 AromaticContact CG-CE1 3.78Å; H118-F161 AromaticContact NE2-CE1 3.82Å
119D89.1Confident88.5Confident72 Ų7262.1 Ų62.139%0.38531%0.312SS..Hα-helixtrans-64.8-36.3179.4-70.4-20.7000112.5K115 L116 V117 S123K115-D119 PolarHBondContact O-N 3.08Å; K115-D119 VanDerWaalsContact O-N 3.08Å; L116-D119 PolarHBondContact O-N 2.99Å; V117-D119 PolarHBondContact O-N 2.89Å; D119-S123 PolarHBondContact O-N 3.02Å; D119-S123 VanDerWaalsContact O-N 3.14Å; D119-S123 PolarHBondContact O-OG 3.13Å
120K87.1Confident88.5Confident62 Ų6257.8 Ų57.827%0.2729%0.292SS..Hα-helixtrans-71-42.5175.9-76.9177169.9-173.40112.5S76 G77 V79 L116 V117 H118 S123 A124S76-K120 PolarHBondContact O-NZ 3.37Å; S76-K120 VanDerWaalsContact O-NZ 3.07Å; G77-K120 WeakPolarHBondContact O-CD 3.36Å; G77-K120 WeakPolarHBondContact O-CE 3.28Å; G77-K120 PolarHBondContact O-NZ 3.47Å; V79-K120 HydrophobicContact CG2-CB 3.8Å; L116-K120 HydrophobicContact CD1-CD 4.4Å; L116-K120 HydrophobicContact CG-CD 4.34Å; L116-K120 WeakPolarHBondContact O-CG 3.39Å; L116-K120 PolarHBondContact O-N 2.81Å; V117-K120 PolarHBondContact O-N 3.32Å; H118-K120 VanDerWaalsContact C-N 3.32Å; H118-K120 PolarHBondContact O-N 3.16Å; K120-S123 PolarHBondContact O-N 3.48Å; K120-A124 VanDerWaalsContact O-CB 3.27Å; K120-A124 WeakPolarHBondContact O-CB 3.44Å; K120-A124 PolarHBondContact O-N 2.84Å
121L87Confident88.6Confident1 Ų157.3 Ų57.31%0.00529%0.289CS..Hα-helixtrans-62.6-42.4174.4-79.5172000111.4I70 V79 W99 V117 H118 S123 A124 L125 M130I70-L121 HydrophobicContact CG2-CD1 4.4Å; V79-L121 HydrophobicContact CG1-CD2 3.76Å; V79-L121 HydrophobicContact CG2-CD2 4.08Å; V79-L121 HydrophobicContact CG2-CG 4.03Å; W99-L121 HydrophobicContact CB-CD1 4.18Å; W99-L121 HydrophobicContact CD2-CD1 3.93Å; W99-L121 HydrophobicContact CG-CD1 3.73Å; V117-L121 HydrophobicContact CG1-CD1 3.73Å; V117-L121 HydrophobicContact CG1-CG 4.21Å; V117-L121 WeakPolarHBondContact O-CB 3.26Å; V117-L121 WeakPolarHBondContact O-CG 3.34Å; V117-L121 PolarHBondContact O-N 3.16Å; H118-L121 PolarHBondContact O-N 2.84Å; L121-S123 VanDerWaalsContact C-N 3.27Å; L121-S123 PolarHBondContact O-N 3.15Å; L121-A124 PolarHBondContact O-N 2.99Å; L121-L125 WeakPolarHBondContact O-CB 3.37Å; L121-L125 PolarHBondContact O-N 3.26Å; L121-M130 HydrophobicContact CB-CE 3.36Å; L121-M130 HydrophobicContact CB-SD 3.86Å; L121-M130 HydrophobicContact CD1-CE 4.19Å; L121-M130 HydrophobicContact CG-CE 4.43Å
122K88.7Confident88.8Confident25 Ų2555 Ų5511%0.10928%0.275CS..Hα-helixtrans-53.9-46.2172.7-82.2-167.2153.8-172.30111.8H118 K126 N127 P128 M130 S156H118-K122 WeakPolarHBondContact NE2-CE 3.32Å; H118-K122 WeakPolarHBondContact O-CB 3.32Å; H118-K122 WeakPolarHBondContact O-CG 3.38Å; H118-K122 PolarHBondContact O-N 3.09Å; K122-K126 WeakPolarHBondContact O-CA 3.25Å; K122-K126 PolarHBondContact O-N 3.18Å; K122-K126 VanDerWaalsContact O-N 3.1Å; K122-N127 WeakPolarHBondContact CG-O 3.49Å; K122-N127 PolarHBondContact O-N 3.33Å; K122-N127 VanDerWaalsContact O-N 3.1Å; K122-P128 WeakPolarHBondContact CE-O 3.48Å; K122-P128 PolarHBondContact NZ-O 3.48Å; K122-M130 HydrophobicContact CD-CB 4.45Å; K122-M130 HydrophobicContact CG-CB 3.7Å; K122-M130 HydrophobicContact CG-CE 3.95Å; K122-S156 PolarHBondContact NZ-O 3.2Å
123S87.6Confident89.2Confident94 Ų9447 Ų4766%0.65724%0.24SC*.Hα-helixtrans-70.1-43.5-179.5-55.60000112.1D119 K120 L121 K126D119-S123 PolarHBondContact O-N 3.02Å; D119-S123 VanDerWaalsContact O-N 3.14Å; D119-S123 PolarHBondContact O-OG 3.13Å; K120-S123 PolarHBondContact O-N 3.48Å; L121-S123 VanDerWaalsContact C-N 3.27Å; L121-S123 PolarHBondContact O-N 3.15Å; S123-K126 PolarHBondContact O-N 3.38Å
124A85.1Confident89.7Confident38 Ų3841.9 Ų41.931%0.31422%0.221SC..Hα-helixtrans-63.6-46.818000000112.8L81 K120 L121 K126L81-A124 HydrophobicContact CD2-CB 3.77Å; K120-A124 VanDerWaalsContact O-CB 3.27Å; K120-A124 WeakPolarHBondContact O-CB 3.44Å; K120-A124 PolarHBondContact O-N 2.84Å; L121-A124 PolarHBondContact O-N 2.99Å; A124-K126 VanDerWaalsContact C-N 3.32Å
125L84.9Confident90Very high49 Ų4941.4 Ų41.426%0.25722%0.218SC..THydrogen-bonded Turntrans-86.8-1.5-179-69.1170.9000113.2L84 V96 L121 N127 M130L84-L125 HydrophobicContact CD2-CD1 4.43Å; L84-L125 HydrophobicContact CD2-CD2 3.67Å; L84-L125 HydrophobicContact CD2-CG 4Å; L84-L125 HydrophobicContact CG-CD2 4.42Å; V96-L125 HydrophobicContact CB-CD1 4.17Å; V96-L125 HydrophobicContact CG1-CD1 3.71Å; L121-L125 WeakPolarHBondContact O-CB 3.37Å; L121-L125 PolarHBondContact O-N 3.26Å; L125-N127 HydrophobicContact CB-CB 4.5Å; L125-N127 PolarHBondContact O-N 2.96Å; L125-N127 VanDerWaalsContact O-N 3.14Å; L125-M130 HydrophobicContact CD1-SD 4.41Å
126K87.9Confident90.2Very high187 Ų18737.3 Ų37.381%0.81320%0.201SC*.THydrogen-bonded Turntrans51.333.4-175.1-57178.9-177.8175.80112.9K122 S123 A124 P128K122-K126 WeakPolarHBondContact O-CA 3.25Å; K122-K126 PolarHBondContact O-N 3.18Å; K122-K126 VanDerWaalsContact O-N 3.1Å; S123-K126 PolarHBondContact O-N 3.38Å; A124-K126 VanDerWaalsContact C-N 3.32Å; K126-P128 WeakPolarHBondContact O-CD 3.5Å
127N88.4Confident90.4Very high25 Ų2535.5 Ų35.513%0.13419%0.193CC..  trans-110.596.8179-175.2-9.2000110V96 K122 L125 H129 M130V96-N127 PolarHBondContact O-ND2 3.02Å; K122-N127 WeakPolarHBondContact CG-O 3.49Å; K122-N127 PolarHBondContact O-N 3.33Å; K122-N127 VanDerWaalsContact O-N 3.1Å; L125-N127 HydrophobicContact CB-CB 4.5Å; L125-N127 PolarHBondContact O-N 2.96Å; L125-N127 VanDerWaalsContact O-N 3.14Å; N127-H129 PolarHBondContact O-N 3.5Å; N127-H129 PolarHBondContact OD1-N 3Å; N127-M130 PolarHBondContact O-N 3.02Å; N127-M130 PolarHBondContact OD1-N 2.89Å
128P87.2Confident90.6Very high86 Ų8635.9 Ų35.956%0.55820%0.196SC*.THydrogen-bonded Turntrans-72.4-14.9-179.928.1-32000113.4K122 K126K122-P128 WeakPolarHBondContact CE-O 3.48Å; K122-P128 PolarHBondContact NZ-O 3.48Å; K126-P128 WeakPolarHBondContact O-CD 3.5Å
129H88.3Confident90.7Very high77 Ų7742.5 Ų42.536%0.35622%0.221SC..THydrogen-bonded Turntrans-101.721.8-179-61.9-82.7000112.3F37 E55 Y57 N127 I131F37-H129 AromaticContact CE1-ND1 3.95Å; F37-H129 HydrophobicContact CZ-CB 4.25Å; F37-H129 AromaticContact CZ-CD2 3.99Å; F37-H129 AromaticContact CZ-CG 3.81Å; F37-H129 AromaticContact CZ-ND1 3.96Å; E55-H129 IonicContact OE1-CE1 3.86Å; E55-H129 IonicContact OE1-CG 3.55Å; E55-H129 IonicContact OE1-ND1 2.87Å; E55-H129 PolarHBondContact OE1-ND1 3.06Å; Y57-H129 HydrophobicContact CE1-CB 4.03Å; Y57-H129 WeakPolarHBondContact CE1-O 3.48Å; Y57-H129 PolarHBondContact OH-O 3.3Å; N127-H129 PolarHBondContact O-N 3.5Å; N127-H129 PolarHBondContact OD1-N 3Å; H129-I131 PolarHBondContact O-N 3.46Å
130M91.4Very high90.8Very high0 Ų043 Ų430%023%0.226CC..  trans-62.5137.7179.9-161.5174.272.700112.1I97 W99 H118 L121 K122 L125 N127I97-M130 WeakPolarHBondContact O-CA 3.36Å; W99-M130 VanDerWaalsContact CD1-CE 3.41Å; H118-M130 HydrophobicContact CB-CE 4.48Å; H118-M130 PolarHBondContact CE1-O 3.25Å; H118-M130 PolarHBondContact NE2-O 3.22Å; H118-M130 WeakPolarHBondContact O-CE 3.32Å; L121-M130 HydrophobicContact CB-CE 3.36Å; L121-M130 HydrophobicContact CB-SD 3.86Å; L121-M130 HydrophobicContact CD1-CE 4.19Å; L121-M130 HydrophobicContact CG-CE 4.43Å; K122-M130 HydrophobicContact CD-CB 4.45Å; K122-M130 HydrophobicContact CG-CB 3.7Å; K122-M130 HydrophobicContact CG-CE 3.95Å; L125-M130 HydrophobicContact CD1-SD 4.41Å; N127-M130 PolarHBondContact O-N 3.02Å; N127-M130 PolarHBondContact OD1-N 2.89Å
131I95.4Very high90.9Very high0 Ų041.7 Ų41.70%022%0.224CC..EExtended strand (participates in β ladder)trans-99.5156.5173.564.8173000111.9V6 Y57 I59 I97 G98 W99 H129 F154 I164V6-I131 HydrophobicContact CG1-CD1 4.25Å; V6-I131 HydrophobicContact CG2-CD1 3.9Å; Y57-I131 HydrophobicContact CD1-CG2 3.87Å; Y57-I131 HydrophobicContact CD2-CG2 3.57Å; Y57-I131 HydrophobicContact CE1-CG2 3.88Å; Y57-I131 HydrophobicContact CE2-CG2 3.53Å; Y57-I131 HydrophobicContact CG-CD1 4.49Å; Y57-I131 HydrophobicContact CG-CG2 3.69Å; I59-I131 HydrophobicContact CD1-CD1 4.04Å; I59-I131 HydrophobicContact CG1-CD1 4.26Å; I97-I131 PolarHBondContact O-N 3.35Å; G98-I131 WeakPolarHBondContact CA-O 3.09Å; W99-I131 PolarHBondContact N-O 3.3Å; W99-I131 VanDerWaalsContact N-O 3.11Å; H129-I131 PolarHBondContact O-N 3.46Å; I131-F154 CarbonylContact C-O 3.51Å; I131-F154 WeakPolarHBondContact CA-O 3.46Å; I131-I164 HydrophobicContact CG2-CD1 4.01Å
132F95.8Very high91Very high0 Ų048.2 Ų48.20%027%0.266CS..EExtended strand (participates in β ladder)trans-121120.5171172.8-116.2000110.1W99 R101 M110 E114 L134 A153 F154W99-F132 AromaticContact CD2-CD2 3.64Å; W99-F132 HydrophobicContact CD2-CD2 3.64Å; W99-F132 AromaticContact CD2-CE2 3.96Å; W99-F132 HydrophobicContact CD2-CE2 3.96Å; W99-F132 AromaticContact CE2-CD2 3.28Å; W99-F132 AromaticContact CE2-CE2 3.74Å; W99-F132 HydrophobicContact CE3-CD2 4.07Å; W99-F132 AromaticContact CE3-CE2 3.89Å; W99-F132 HydrophobicContact CE3-CE2 3.89Å; W99-F132 HydrophobicContact CG-CD2 4.2Å; W99-F132 AromaticContact CH2-CD2 3.93Å; W99-F132 HydrophobicContact CH2-CD2 3.93Å; W99-F132 AromaticContact CH2-CE2 3.48Å; W99-F132 HydrophobicContact CH2-CE2 3.48Å; W99-F132 VanDerWaalsContact CH2-CE2 3.48Å; W99-F132 HydrophobicContact CH2-CZ 4.27Å; W99-F132 AromaticContact CZ2-CD2 3.45Å; W99-F132 HydrophobicContact CZ2-CD2 3.45Å; W99-F132 VanDerWaalsContact CZ2-CD2 3.45Å; W99-F132 AromaticContact CZ2-CE2 3.51Å; W99-F132 HydrophobicContact CZ2-CE2 3.51Å; W99-F132 HydrophobicContact CZ2-CG 4.29Å; W99-F132 HydrophobicContact CZ2-CZ 4.41Å; W99-F132 HydrophobicContact CZ3-CD2 4.21Å; W99-F132 AromaticContact CZ3-CE2 3.67Å; W99-F132 HydrophobicContact CZ3-CE2 3.67Å; W99-F132 AromaticContact NE1-CD2 3.65Å; W99-F132 WeakPolarHBondContact O-CA 3.36Å; R101-F132 HydrophobicContact CB-CE2 3.63Å; R101-F132 HydrophobicContact CB-CZ 3.67Å; M110-F132 HydrophobicContact CE-CB 4.22Å; M110-F132 HydrophobicContact CE-CD1 3.55Å; M110-F132 HydrophobicContact CE-CE1 4.07Å; M110-F132 HydrophobicContact CE-CG 3.94Å; M110-F132 HydrophobicContact CG-CD1 3.61Å; M110-F132 HydrophobicContact CG-CE1 3.67Å; M110-F132 HydrophobicContact SD-CD1 3.7Å; M110-F132 HydrophobicContact SD-CE1 4.33Å; M110-F132 HydrophobicContact SD-CG 4.46Å; E114-F132 HydrophobicContact CB-CZ 4.23Å; E114-F132 HydrophobicContact CG-CZ 3.96Å; F132-L134 HydrophobicContact CE1-CB 3.84Å; F132-L134 HydrophobicContact CZ-CB 4.21Å; F132-L134 HydrophobicContact CZ-CD1 4.32Å; F132-A153 CarbonylContact O-C 3.59Å; F132-A153 WeakPolarHBondContact O-CA 3.45Å; F132-F154 HydrophobicContact CB-CB 4.39Å; F132-F154 HydrophobicContact CD1-CB 4.33Å; F132-F154 AromaticContact CD1-CD2 3.8Å; F132-F154 HydrophobicContact CD1-CD2 3.8Å; F132-F154 HydrophobicContact CD1-CG 4.41Å; F132-F154 HydrophobicContact CE1-CD2 4.34Å; F132-F154 PolarHBondContact N-O 3.22Å; F132-F154 PolarHBondContact O-N 3.1Å
133L96.6Very high91.2Very high3 Ų352.2 Ų52.22%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-101.4122.3176.5-174.671.2000110.1L16 W99 Y100 R101 L135 A153L16-L133 HydrophobicContact CD1-CD2 3.79Å; W99-L133 PolarHBondContact O-N 2.89Å; Y100-L133 CarbonylContact C-O 3.39Å; Y100-L133 WeakPolarHBondContact CA-O 3.39Å; Y100-L133 WeakPolarHBondContact CB-O 3.25Å; R101-L133 PolarHBondContact N-O 2.98Å; L133-L135 HydrophobicContact CD2-CD1 3.87Å; L133-L135 HydrophobicContact CG-CD1 3.81Å; L133-A153 HydrophobicContact CD1-CB 4.23Å
134L96.3Very high91.3Very high0 Ų050.8 Ų50.80%028%0.278CS..EExtended strand (participates in β ladder)trans-109.7127.7177.517761.9000109.6R101 R103 F132 T136 Y151 S152 F154R101-L134 HydrophobicContact CB-CD1 4.44Å; R101-L134 WeakPolarHBondContact O-CA 3.31Å; R103-L134 HydrophobicContact CG-CD1 4.13Å; R103-L134 VanDerWaalsContact NH2-CD2 3.28Å; F132-L134 HydrophobicContact CE1-CB 3.84Å; F132-L134 HydrophobicContact CZ-CB 4.21Å; F132-L134 HydrophobicContact CZ-CD1 4.32Å; L134-T136 HydrophobicContact CD1-CG2 4.15Å; L134-T136 HydrophobicContact CD2-CG2 4.38Å; L134-T136 HydrophobicContact CG-CG2 4.11Å; L134-Y151 CarbonylContact O-C 3.53Å; L134-Y151 VanDerWaalsContact O-CA 3.25Å; L134-Y151 WeakPolarHBondContact O-CA 3.49Å; L134-S152 PolarHBondContact N-O 3.41Å; L134-S152 PolarHBondContact O-N 3.41Å; L134-F154 HydrophobicContact CB-CD2 4.45Å; L134-F154 HydrophobicContact CB-CE2 3.96Å; L134-F154 HydrophobicContact CD2-CE2 4.17Å
135L96Very high91.8Very high0 Ų053 Ų530%029%0.291CS..EExtended strand (participates in β ladder)trans-117.7130.9172.4-59.588.2000108.9L16 M17 Y100 R101 Q102 R103 L133 M149 E150L16-L135 HydrophobicContact CB-CD2 4.18Å; M17-L135 HydrophobicContact CG-CD2 4.46Å; Y100-L135 HydrophobicContact CD2-CD1 4.44Å; R101-L135 PolarHBondContact O-N 3.39Å; Q102-L135 CarbonylContact C-O 3.6Å; Q102-L135 WeakPolarHBondContact CA-O 3.41Å; Q102-L135 HydrophobicContact CG-CB 4.32Å; Q102-L135 HydrophobicContact CG-CD1 4.22Å; R103-L135 PolarHBondContact N-O 2.64Å; L133-L135 HydrophobicContact CD2-CD1 3.87Å; L133-L135 HydrophobicContact CG-CD1 3.81Å; L135-M149 HydrophobicContact CB-CE 3.74Å; L135-M149 HydrophobicContact CD2-CE 3.68Å; L135-M149 HydrophobicContact CG-CE 4.34Å; L135-E150 CarbonylContact C-O 3.49Å; L135-E150 WeakPolarHBondContact CA-O 3.25Å
136T95.2Very high92.3Very high0 Ų053.9 Ų53.90%030%0.298CS..EExtended strand (participates in β ladder)trans-126.6127176.267.90000111R103 S106 Q108 L134 M149 E150R103-T136 HydrophobicContact CB-CG2 4.28Å; R103-T136 WeakPolarHBondContact O-CA 3.5Å; S106-T136 WeakPolarHBondContact O-CB 3.34Å; S106-T136 PolarHBondContact O-OG1 3.16Å; Q108-T136 PolarHBondContact NE2-OG1 3.45Å; L134-T136 HydrophobicContact CD1-CG2 4.15Å; L134-T136 HydrophobicContact CD2-CG2 4.38Å; L134-T136 HydrophobicContact CG-CG2 4.11Å; T136-M149 WeakPolarHBondContact O-CA 3.42Å; T136-E150 PolarHBondContact N-O 2.83Å; T136-E150 PolarHBondContact O-N 2.9Å
137S93.5Very high92.6Very high23 Ų2350.9 Ų50.916%0.16129%0.287CS..EExtended strand (participates in β ladder)trans-100132.9171.5176.20000109.5R103 R104 H105 R148R103-S137 PolarHBondContact O-N 2.78Å; R104-S137 CarbonylContact C-O 3.56Å; R104-S137 WeakPolarHBondContact CA-O 3.47Å; H105-S137 PolarHBondContact N-O 3.42Å; S137-R148 CarbonylContact C-O 3.55Å; S137-R148 WeakPolarHBondContact CA-O 3.25Å
138S91.9Very high92.8Very high11 Ų1155.4 Ų55.48%0.07730%0.302CS..EExtended strand (participates in β ladder)trans-140.7151.4177.358.20000111.6R148S138-R148 PolarHBondContact N-O 2.88Å; S138-R148 PolarHBondContact O-N 2.91Å; S138-R148 PolarHBondContact OG-NE 3.48Å; S138-R148 VanDerWaalsContact OG-NE 3.14Å
139R91.3Very high93.2Very high140 Ų14053.8 Ų53.853%0.52829%0.288SS..EExtended strand (participates in β ladder)trans-86.4128.5168.6-61.2148.2-165.8-138.516.8107.1H105 D144H105-R139 VanDerWaalsContact CE1-CD 3.49Å; H105-R139 WeakPolarHBondContact CE1-CD 3.13Å; H105-R139 PolarHBondContact CE1-NE 2.76Å; R139-D144 WeakPolarHBondContact CB-OD1 3.34Å; R139-D144 WeakPolarHBondContact CD-OD1 3.37Å; R139-D144 WeakPolarHBondContact CG-OD1 3.25Å; R139-D144 IonicContact CZ-OD2 3.59Å; R139-D144 IonicContact NE-OD1 3.9Å; R139-D144 IonicContact NE-OD2 3.96Å; R139-D144 IonicContact NH1-OD1 3.63Å; R139-D144 IonicContact NH1-OD2 2.73Å; R139-D144 PolarHBondContact NH1-OD2 2.81Å
140V90.3Very high93.5Very high81 Ų8152.9 Ų52.949%0.49128%0.284SS..SBendtrans-89.1-41179.8-177.10000110T146 R148V140-T146 HydrophobicContact CB-CG2 4.06Å; V140-T146 WeakPolarHBondContact CB-O 3.33Å; V140-T146 HydrophobicContact CG2-CG2 4.2Å; V140-T146 PolarHBondContact N-O 3.2Å; V140-R148 HydrophobicContact CG2-CB 3.42Å; V140-R148 VanDerWaalsContact CG2-CB 3.42Å
141T91Very high93.8Very high36 Ų3657 Ų5722%0.22130%0.3CS..SBendtrans-102.8145.6179.556.30000110.9T143 D144 S145 T146T141-T143 PolarHBondContact O-N 2.76Å; T141-T143 PolarHBondContact OG1-OG1 3.48Å; T141-D144 PolarHBondContact O-N 2.93Å; T141-D144 VanDerWaalsContact O-N 3.14Å; T141-S145 PolarHBondContact OG1-N 2.87Å; T141-S145 VanDerWaalsContact OG1-N 3.07Å; T141-S145 PolarHBondContact OG1-OG 3.26Å; T141-T146 PolarHBondContact OG1-N 2.85Å; T141-T146 VanDerWaalsContact OG1-N 3.16Å
142P88.9Confident93.8Very high137 Ų13758 Ų5889%0.8931%0.307SS*.THydrogen-bonded Turntrans-62.9-20.6174.4-22.133.1000113.8D144P142-D144 VanDerWaalsContact C-N 3.3Å
143T92.1Very high93.9Very high110 Ų11058 Ų5868%0.67531%0.307SS*.THydrogen-bonded Turntrans-862.5178.752.10000113.3T141 S145T141-T143 PolarHBondContact O-N 2.76Å; T141-T143 PolarHBondContact OG1-OG1 3.48Å; T143-S145 PolarHBondContact O-N 2.91Å; T143-S145 VanDerWaalsContact O-N 3.08Å; T143-S145 PolarHBondContact OG1-OG 2.76Å
144D90.4Very high93.8Very high64 Ų6458.6 Ų58.634%0.34231%0.31SS..SBendtrans53.827-175.7-66.4-17000114R139 T141 P142 H147R139-D144 WeakPolarHBondContact CB-OD1 3.34Å; R139-D144 WeakPolarHBondContact CD-OD1 3.37Å; R139-D144 WeakPolarHBondContact CG-OD1 3.25Å; R139-D144 IonicContact CZ-OD2 3.59Å; R139-D144 IonicContact NE-OD1 3.9Å; R139-D144 IonicContact NE-OD2 3.96Å; R139-D144 IonicContact NH1-OD1 3.63Å; R139-D144 IonicContact NH1-OD2 2.73Å; R139-D144 PolarHBondContact NH1-OD2 2.81Å; T141-D144 PolarHBondContact O-N 2.93Å; T141-D144 VanDerWaalsContact O-N 3.14Å; P142-D144 VanDerWaalsContact C-N 3.3Å; D144-H147 PolarHBondContact O-NE2 2.87Å
145S95.4Very high93.6Very high84 Ų8458.8 Ų58.859%0.58731%0.311SS*.  trans-82.5-16.6176.763.50000113.1T141 T143T141-S145 PolarHBondContact OG1-N 2.87Å; T141-S145 VanDerWaalsContact OG1-N 3.07Å; T141-S145 PolarHBondContact OG1-OG 3.26Å; T143-S145 PolarHBondContact O-N 2.91Å; T143-S145 VanDerWaalsContact O-N 3.08Å; T143-S145 PolarHBondContact OG1-OG 2.76Å
146T95.2Very high93.3Very high67 Ų6759.9 Ų59.941%0.41132%0.318SS..  trans-137.7119.9-178.7-53.70000109.5V140 T141V140-T146 HydrophobicContact CB-CG2 4.06Å; V140-T146 WeakPolarHBondContact CB-O 3.33Å; V140-T146 HydrophobicContact CG2-CG2 4.2Å; V140-T146 PolarHBondContact N-O 3.2Å; T141-T146 PolarHBondContact OG1-N 2.85Å; T141-T146 VanDerWaalsContact OG1-N 3.16Å
147H93.3Very high92.8Very high125 Ų12563.5 Ų63.558%0.57933%0.332SS*.EExtended strand (participates in β ladder)trans-105151.5175.6-62.1-87.7000110.1D144D144-H147 PolarHBondContact O-NE2 2.87Å
148R94.4Very high92.1Very high119 Ų11968.1 Ų68.145%0.44936%0.364SS..EExtended strand (participates in β ladder)trans-129.1123.9176.6173.6173.469.3158.3-6.4109.4S137 S138 V140 E150S137-R148 CarbonylContact C-O 3.55Å; S137-R148 WeakPolarHBondContact CA-O 3.25Å; S138-R148 PolarHBondContact N-O 2.88Å; S138-R148 PolarHBondContact O-N 2.91Å; S138-R148 PolarHBondContact OG-NE 3.48Å; S138-R148 VanDerWaalsContact OG-NE 3.14Å; V140-R148 HydrophobicContact CG2-CB 3.42Å; V140-R148 VanDerWaalsContact CG2-CB 3.42Å; R148-E150 VanDerWaalsContact CD-OE1 3.24Å; R148-E150 WeakPolarHBondContact CD-OE1 3.34Å; R148-E150 HydrophobicContact CG-CG 3.8Å; R148-E150 IonicContact CZ-OE1 3.22Å; R148-E150 VanDerWaalsContact CZ-OE1 3.22Å; R148-E150 IonicContact CZ-OE2 3.88Å; R148-E150 IonicContact NE-OE1 3.38Å; R148-E150 PolarHBondContact NE-OE1 2.93Å; R148-E150 IonicContact NH1-OE1 2.72Å; R148-E150 PolarHBondContact NH1-OE1 2.78Å; R148-E150 IonicContact NH1-OE2 3.93Å
149M94.4Very high91.6Very high53 Ų5379.1 Ų79.126%0.26140%0.404SS..EExtended strand (participates in β ladder)trans-113.8104.9174.2-173.664.1171.500108.1M17 H20 L135 T136M17-M149 HydrophobicContact CB-CE 4.28Å; M17-M149 HydrophobicContact CE-CG 3.72Å; M17-M149 HydrophobicContact CG-CE 3.72Å; M17-M149 HydrophobicContact CG-CG 4.09Å; M17-M149 HydrophobicContact SD-CG 3.93Å; H20-M149 HydrophobicContact CB-CE 4.29Å; L135-M149 HydrophobicContact CB-CE 3.74Å; L135-M149 HydrophobicContact CD2-CE 3.68Å; L135-M149 HydrophobicContact CG-CE 4.34Å; T136-M149 WeakPolarHBondContact O-CA 3.42Å
150E95.8Very high91.3Very high58 Ų5881.7 Ų81.727%0.27141%0.414SS..EExtended strand (participates in β ladder)trans-99.2146.6178-72.7170.5161.700109.7Q108 L135 T136 R148Q108-E150 HydrophobicContact CG-CB 3.83Å; Q108-E150 VanDerWaalsContact NE2-CB 3.28Å; Q108-E150 PolarHBondContact NE2-O 2.9Å; L135-E150 CarbonylContact C-O 3.49Å; L135-E150 WeakPolarHBondContact CA-O 3.25Å; T136-E150 PolarHBondContact N-O 2.83Å; T136-E150 PolarHBondContact O-N 2.9Å; R148-E150 VanDerWaalsContact CD-OE1 3.24Å; R148-E150 WeakPolarHBondContact CD-OE1 3.34Å; R148-E150 HydrophobicContact CG-CG 3.8Å; R148-E150 IonicContact CZ-OE1 3.22Å; R148-E150 VanDerWaalsContact CZ-OE1 3.22Å; R148-E150 IonicContact CZ-OE2 3.88Å; R148-E150 IonicContact NE-OE1 3.38Å; R148-E150 PolarHBondContact NE-OE1 2.93Å; R148-E150 IonicContact NH1-OE1 2.72Å; R148-E150 PolarHBondContact NH1-OE1 2.78Å; R148-E150 IonicContact NH1-OE2 3.93Å
151Y95.9Very high91.3Very high85 Ų8580.3 Ų80.333%0.33340%0.401SS..EExtended strand (participates in β ladder)trans-137.3147.8173.755.7-89.9000110.4L13 M17 L134 V166L13-Y151 HydrophobicContact CD1-CD1 4.47Å; L13-Y151 HydrophobicContact CD1-CG 4.44Å; L13-Y151 HydrophobicContact CD2-CD1 4.48Å; L13-Y151 HydrophobicContact CD2-CE1 4.05Å; L13-Y151 HydrophobicContact CD2-CE2 4.46Å; M17-Y151 HydrophobicContact CE-CD1 3.76Å; M17-Y151 HydrophobicContact CE-CE1 4.06Å; L134-Y151 CarbonylContact O-C 3.53Å; L134-Y151 VanDerWaalsContact O-CA 3.25Å; L134-Y151 WeakPolarHBondContact O-CA 3.49Å; Y151-V166 HydrophobicContact CD2-CB 4.28Å; Y151-V166 HydrophobicContact CD2-CG1 4.17Å; Y151-V166 HydrophobicContact CE2-CB 4.12Å; Y151-V166 HydrophobicContact CE2-CG1 3.99Å
152S96.4Very high91.4Very high22 Ų2281.9 Ų81.915%0.15441%0.411CS..EExtended strand (participates in β ladder)trans-152.9141.4180-79.70000110.3L134 N163L134-S152 PolarHBondContact N-O 3.41Å; L134-S152 PolarHBondContact O-N 3.41Å; S152-N163 WeakPolarHBondContact CB-ND2 3.35Å; S152-N163 PolarHBondContact OG-ND2 2.94Å
153A96.8Very high91.6Very high0 Ų079.3 Ų79.30%039%0.39CS..EExtended strand (participates in β ladder)trans-106144.8173.200000110.3V6 F132 L133 N163 I164 V166V6-A153 HydrophobicContact CB-CB 4.35Å; V6-A153 HydrophobicContact CG2-CB 3.7Å; F132-A153 CarbonylContact O-C 3.59Å; F132-A153 WeakPolarHBondContact O-CA 3.45Å; L133-A153 HydrophobicContact CD1-CB 4.23Å; A153-N163 CarbonylContact O-C 3.55Å; A153-N163 WeakPolarHBondContact O-CA 3.44Å; A153-I164 HydrophobicContact CB-CD1 4.2Å; A153-I164 HydrophobicContact CB-CG1 3.62Å; A153-I164 PolarHBondContact O-N 2.58Å; A153-V166 HydrophobicContact CB-CG2 3.54Å
154F95.3Very high91.7Very high16 Ų1674.2 Ų74.27%0.0736%0.358CS..EExtended strand (participates in β ladder)trans-130.3142.7179.2-59.1-89.9000110.2M110 I131 F132 L134 V162 N163M110-F154 HydrophobicContact CG-CB 4.43Å; M110-F154 HydrophobicContact CG-CD1 4.37Å; M110-F154 HydrophobicContact CG-CD2 4.08Å; M110-F154 HydrophobicContact CG-CE2 4.45Å; M110-F154 HydrophobicContact CG-CG 4.04Å; M110-F154 HydrophobicContact SD-CB 3.76Å; M110-F154 HydrophobicContact SD-CD1 4.49Å; M110-F154 HydrophobicContact SD-CD2 4.47Å; M110-F154 HydrophobicContact SD-CG 4Å; I131-F154 CarbonylContact C-O 3.51Å; I131-F154 WeakPolarHBondContact CA-O 3.46Å; F132-F154 HydrophobicContact CB-CB 4.39Å; F132-F154 HydrophobicContact CD1-CB 4.33Å; F132-F154 AromaticContact CD1-CD2 3.8Å; F132-F154 HydrophobicContact CD1-CD2 3.8Å; F132-F154 HydrophobicContact CD1-CG 4.41Å; F132-F154 HydrophobicContact CE1-CD2 4.34Å; F132-F154 PolarHBondContact N-O 3.22Å; F132-F154 PolarHBondContact O-N 3.1Å; L134-F154 HydrophobicContact CB-CD2 4.45Å; L134-F154 HydrophobicContact CB-CE2 3.96Å; L134-F154 HydrophobicContact CD2-CE2 4.17Å; F154-V162 VanDerWaalsContact CA-O 3.29Å; F154-V162 WeakPolarHBondContact CA-O 3.24Å; F154-N163 HydrophobicContact CD1-CB 4.14Å; F154-N163 HydrophobicContact CE1-CB 3.95Å
155T92.8Very high92Very high4 Ų473.9 Ų73.93%0.02536%0.36CS..EExtended strand (participates in β ladder)trans-125.7152.1168.7-171.50000109.9P4 R157 F161 V162 I164P4-T155 HydrophobicContact CG-CG2 4.32Å; T155-R157 HydrophobicContact CG2-CG 4.19Å; T155-F161 WeakPolarHBondContact O-CA 3.29Å; T155-V162 PolarHBondContact N-O 3Å; T155-V162 PolarHBondContact O-N 3.12Å; T155-I164 HydrophobicContact CG2-CD1 4.43Å; T155-I164 HydrophobicContact CG2-CG2 3.54Å
156S89.2Confident92Very high22 Ų2271.3 Ų71.315%0.15434%0.34CS..EExtended strand (participates in β ladder)trans-95.9113.5174.5171.90000109.8K122 R160K122-S156 PolarHBondContact NZ-O 3.2Å; S156-R160 CarbonylContact C-O 3.58Å; S156-R160 WeakPolarHBondContact CA-O 3.4Å
157R83.6Confident92Very high76 Ų7672.4 Ų72.429%0.28734%0.343SS..EExtended strand (participates in β ladder)trans-121.6128175.1-75.9-173172.5-159.8-2.1109.6E55 T155 R159 R160E55-R157 IonicContact OE2-CZ 3.38Å; E55-R157 IonicContact OE2-NE 3.74Å; E55-R157 IonicContact OE2-NH2 3.19Å; E55-R157 PolarHBondContact OE2-NH2 3.35Å; T155-R157 HydrophobicContact CG2-CG 4.19Å; R157-R159 PolarHBondContact O-N 2.86Å; R157-R159 VanDerWaalsContact O-N 3.14Å; R157-R160 PolarHBondContact N-O 2.89Å; R157-R160 PolarHBondContact O-N 3.08Å
158S80.1Confident92.1Very high121 Ų12168.5 Ų68.585%0.84633%0.328SS*.THydrogen-bonded Turntrans49.642177.8-55.60000113.7R160S158-R160 PolarHBondContact O-N 2.81Å
159R80.1Confident91.9Very high242 Ų24266.7 Ų66.791%0.91333%0.33SS*.THydrogen-bonded Turntrans63.617.6-176.8-50.1-176.5179.3-167-0.8115.2R157R157-R159 PolarHBondContact O-N 2.86Å; R157-R159 VanDerWaalsContact O-N 3.14Å
160R86.7Confident91.7Very high194 Ų19468.5 Ų68.573%0.73234%0.341SS*.EExtended strand (participates in β ladder)trans-119.6141.4172.4-63.6-176.6-178.3-176.10.7109.5S156 R157 S158S156-R160 CarbonylContact C-O 3.58Å; S156-R160 WeakPolarHBondContact CA-O 3.4Å; R157-R160 PolarHBondContact N-O 2.89Å; R157-R160 PolarHBondContact O-N 3.08Å; S158-R160 PolarHBondContact O-N 2.81Å
161F90.2Very high91.3Very high51 Ų5172.7 Ų72.722%0.22436%0.364CS..EExtended strand (participates in β ladder)trans-88.4127173.1-69.1-86.2000109M110 K115 H118 T155M110-F161 HydrophobicContact CE-CD1 3.74Å; M110-F161 HydrophobicContact CE-CE1 3.6Å; M110-F161 HydrophobicContact CE-CG 4.36Å; M110-F161 HydrophobicContact CE-CZ 4.17Å; M110-F161 HydrophobicContact SD-CB 3.87Å; M110-F161 HydrophobicContact SD-CD1 3.22Å; M110-F161 WeakPolarHBondContact SD-CD1 3.36Å; M110-F161 HydrophobicContact SD-CD2 4.4Å; M110-F161 HydrophobicContact SD-CE1 3.77Å; M110-F161 HydrophobicContact SD-CG 3.57Å; M110-F161 VanDerWaalsContact SD-CG 3.57Å; K115-F161 HydrophobicContact CB-CD2 4.39Å; K115-F161 HydrophobicContact CB-CE2 3.64Å; K115-F161 HydrophobicContact CB-CZ 3.97Å; K115-F161 HydrophobicContact CD-CD2 3.94Å; K115-F161 HydrophobicContact CD-CE2 3.99Å; K115-F161 HydrophobicContact CG-CD2 3.73Å; K115-F161 HydrophobicContact CG-CE2 3.49Å; K115-F161 VanDerWaalsContact CG-CE2 3.49Å; K115-F161 HydrophobicContact CG-CG 4.48Å; K115-F161 HydrophobicContact CG-CZ 4.03Å; H118-F161 HydrophobicContact CB-CE1 4.19Å; H118-F161 HydrophobicContact CB-CZ 4.34Å; H118-F161 AromaticContact CD2-CE1 3.46Å; H118-F161 VanDerWaalsContact CD2-CE1 3.46Å; H118-F161 WeakPolarHBondContact CD2-CE1 3.48Å; H118-F161 AromaticContact CD2-CZ 3.9Å; H118-F161 AromaticContact CG-CE1 3.78Å; H118-F161 AromaticContact NE2-CE1 3.82Å; T155-F161 WeakPolarHBondContact O-CA 3.29Å
162V91.7Very high90.5Very high70 Ų7071.9 Ų71.942%0.42438%0.381SS..EExtended strand (participates in β ladder)trans-121.3135.7-178.9-173.60000107.9F154 T155F154-V162 VanDerWaalsContact CA-O 3.29Å; F154-V162 WeakPolarHBondContact CA-O 3.24Å; T155-V162 PolarHBondContact N-O 3Å; T155-V162 PolarHBondContact O-N 3.12Å
163N93.8Very high89.2Confident83 Ų8377 Ų7744%0.44441%0.407SS..EExtended strand (participates in β ladder)trans-71.7136.6172.7-176.2-83.1000109.3S152 A153 F154S152-N163 WeakPolarHBondContact CB-ND2 3.35Å; S152-N163 PolarHBondContact OG-ND2 2.94Å; A153-N163 CarbonylContact O-C 3.55Å; A153-N163 WeakPolarHBondContact O-CA 3.44Å; F154-N163 HydrophobicContact CD1-CB 4.14Å; F154-N163 HydrophobicContact CE1-CB 3.95Å
164I94.7Very high87.9Confident3 Ų382.2 Ų82.22%0.01543%0.434CS..EExtended strand (participates in β ladder)trans-123.2141.7-178.364-180000109.7P4 V6 Y57 I131 A153 T155 V166P4-I164 HydrophobicContact CB-CG2 4.45Å; P4-I164 HydrophobicContact CG-CB 4.32Å; P4-I164 HydrophobicContact CG-CG2 3.57Å; V6-I164 HydrophobicContact CG2-CD1 3.42Å; V6-I164 VanDerWaalsContact CG2-CD1 3.42Å; V6-I164 HydrophobicContact CG2-CG1 3.86Å; Y57-I164 HydrophobicContact CD2-CD1 4.15Å; Y57-I164 HydrophobicContact CE2-CD1 4.08Å; I131-I164 HydrophobicContact CG2-CD1 4.01Å; A153-I164 HydrophobicContact CB-CD1 4.2Å; A153-I164 HydrophobicContact CB-CG1 3.62Å; A153-I164 PolarHBondContact O-N 2.58Å; T155-I164 HydrophobicContact CG2-CD1 4.43Å; T155-I164 HydrophobicContact CG2-CG2 3.54Å; I164-V166 PolarHBondContact O-N 3.33Å
165P95.5Very high86.2Confident57 Ų5790.7 Ų90.737%0.3747%0.474SS..  trans-60.3137.5-177.923.7-34.9000111.7P4 V6P4-P165 VanDerWaalsContact O-CD 3.32Å; P4-P165 WeakPolarHBondContact O-CD 3.44Å; V6-P165 PolarHBondContact N-O 3.23Å
166V96.1Very high84.9Confident30 Ų3099.5 Ų99.518%0.18252%0.515CS..EExtended strand (participates in β ladder)trans-107116.2173.8-176.80000108.5V6 I8 Y151 A153 I164V6-V166 HydrophobicContact CB-CG2 4.3Å; V6-V166 HydrophobicContact CG1-CG1 4.48Å; V6-V166 CarbonylContact O-C 3.57Å; V6-V166 WeakPolarHBondContact O-CA 3.48Å; I8-V166 HydrophobicContact CG2-CG1 3.72Å; Y151-V166 HydrophobicContact CD2-CB 4.28Å; Y151-V166 HydrophobicContact CD2-CG1 4.17Å; Y151-V166 HydrophobicContact CE2-CB 4.12Å; Y151-V166 HydrophobicContact CE2-CG1 3.99Å; A153-V166 HydrophobicContact CB-CG2 3.54Å; I164-V166 PolarHBondContact O-N 3.33Å
167L95Very high83.8Confident89 Ų89105.5 Ų105.547%0.46654%0.54SS..EExtended strand (participates in β ladder)trans-100.5120178.3-61.3175.4000109.3V6 R7 I8V6-L167 PolarHBondContact O-N 2.69Å; R7-L167 WeakPolarHBondContact CA-O 3.4Å; R7-L167 HydrophobicContact CG-CB 4.38Å; I8-L167 PolarHBondContact N-O 3.06Å
168V95.2Very high83.5Confident43 Ų43105.1 Ų105.126%0.26156%0.56SS.*EExtended strand (participates in β ladder)trans-95111.1177.9-173.90000109.7I8 L13 N170I8-V168 HydrophobicContact CG2-CG2 4.02Å; I8-V168 VanDerWaalsContact O-CA 3.31Å; I8-V168 WeakPolarHBondContact O-CA 3.33Å; L13-V168 HydrophobicContact CD2-CG1 4.48Å; L13-V168 HydrophobicContact CD2-CG2 3.81Å; V168-N170 PolarHBondContact O-N 2.93Å; V168-N170 PolarHBondContact O-ND2 3Å; V168-N170 VanDerWaalsContact O-ND2 3.08Å
169T91.3Very high83.6Confident82 Ų82109.3 Ų109.350%0.50356%0.559SS.*EExtended strand (participates in β ladder)trans-65.5126.7179.5-52.60000110.1I8I8-T169 PolarHBondContact O-N 3.49Å
170N89.6Confident83.9Confident90 Ų90108.6 Ų108.648%0.48156%0.556SS.*  trans-145.3164-178.868.581.7000111.1V168 G172V168-N170 PolarHBondContact O-N 2.93Å; V168-N170 PolarHBondContact O-ND2 3Å; V168-N170 VanDerWaalsContact O-ND2 3.08Å; N170-G172 VanDerWaalsContact C-N 3.28Å; N170-G172 PolarHBondContact O-N 3.37Å; N170-G172 VanDerWaalsContact OD1-CA 3.3Å; N170-G172 WeakPolarHBondContact OD1-CA 3.39Å; N170-G172 PolarHBondContact OD1-N 3.1Å
171L87.1Confident83.7Confident147 Ų147109 Ų10977%0.7756%0.563SS**G310 helixtrans-72.1-17.9-179.2-64.1175.4000113.8L173 L174L171-L173 PolarHBondContact O-N 3.46Å; L171-L174 WeakPolarHBondContact O-CD1 3.49Å; L171-L174 WeakPolarHBondContact O-CG 3.41Å; L171-L174 PolarHBondContact O-N 3.32Å
172G79.9Confident83.4Confident67 Ų67112 Ų11269%0.69159%0.585SS**G310 helixtrans-70.4-11.1-176.300000114.6N170 L174N170-G172 VanDerWaalsContact C-N 3.28Å; N170-G172 PolarHBondContact O-N 3.37Å; N170-G172 VanDerWaalsContact OD1-CA 3.3Å; N170-G172 WeakPolarHBondContact OD1-CA 3.39Å; N170-G172 PolarHBondContact OD1-N 3.1Å; G172-L174 PolarHBondContact O-N 3.47Å
173L69.4Low82.8Confident130 Ų130113.3 Ų113.368%0.68160%0.598SS**G310 helixtrans-78.92.9176.1-66.4168.3000113.5L171 E175L171-L173 PolarHBondContact O-N 3.46Å; L173-E175 PolarHBondContact O-N 2.92Å
174L67.8Low82.4Confident110 Ų110113.6 Ų113.658%0.57661%0.612SS**  trans-82.887.2176.9-69.5161.5000110.2L171 G172 Q176L171-L174 WeakPolarHBondContact O-CD1 3.49Å; L171-L174 WeakPolarHBondContact O-CG 3.41Å; L171-L174 PolarHBondContact O-N 3.32Å; G172-L174 PolarHBondContact O-N 3.47Å; L174-Q176 PolarHBondContact O-N 3.35Å
175E60.4Low81.8Confident193 Ų193119.9 Ų119.990%0.90265%0.652SS**  trans-70.2-9.4-177.9-72.6-170.4153.300115L173L173-E175 PolarHBondContact O-N 2.92Å
176Q66.1Low81.2Confident190 Ų190120.7 Ų120.789%0.88866%0.659SS**  trans-113.582.6-174-71.3-170.3-33.200113.1L174L174-Q176 PolarHBondContact O-N 3.35Å
177Q65.4Low80.9Confident147 Ų147125.4 Ų125.469%0.68769%0.693SS**  trans-112.89.9172.4-64.1-179.712.800113.6Y179Q177-Y179 PolarHBondContact O-N 2.89Å; Q177-Y179 VanDerWaalsContact O-N 3.08Å
178G77.3Confident80.7Confident68 Ų68123.7 Ų123.770%0.70169%0.692SS**  trans-75.994.8-178.400000112.7
179Y83.4Confident80.4Confident210 Ų210126.6 Ų126.682%0.82471%0.714SS**  trans-74130167.2-68-79.8000111Q177 K181Q177-Y179 PolarHBondContact O-N 2.89Å; Q177-Y179 VanDerWaalsContact O-N 3.08Å; Y179-K181 PolarHBondContact O-N 3.36Å
180W84.4Confident80.5Confident226 Ų226124.7 Ų124.786%0.85671%0.71SS**  trans-74.4109.1173.1-126.3-116.9000110.1
181K83.9Confident80.5Confident203 Ų203127.1 Ų127.188%0.88371%0.714SS**  trans-78.4-26.3-178.3-68.2-179-178.9178.70113.6Y179Y179-K181 PolarHBondContact O-N 3.36Å
182V83Confident80.6Confident114 Ų114123 Ų12369%0.69170%0.698SS**SBendtrans-138.2126-176.5-176.90000108.3
183S80.4Confident81.1Confident98 Ų98125.9 Ų125.969%0.68570%0.696SS**PPolyproline II helixtrans-82.8148.7170.153.80000110.4
184A85.1Confident82.2Confident89 Ų89123.6 Ų123.674%0.73669%0.688SS**PPolyproline II helixtrans-64.9127.8169.800000108.9C186A184-C186 PolarHBondContact O-N 2.95Å
185P81Confident83.2Confident134 Ų134122.5 Ų122.587%0.8768%0.681SS**PPolyproline II helixtrans-65.7136.3-179.626.1-32.9000110.6
186C83.4Confident84.5Confident75 Ų75119 Ų11951%0.50767%0.669SS.*  trans-124.7116.7175.8-176.90000109.6A184 A188 Y191A184-C186 PolarHBondContact O-N 2.95Å; C186-A188 VanDerWaalsContact C-N 3.33Å; C186-Y191 HydrophobicContact CB-CD1 4.13Å; C186-Y191 HydrophobicContact CB-CE1 4.4Å
187S88.9Confident85.9Confident129 Ų129117.6 Ų117.690%0.90266%0.659SS**  trans-86.1-2.4-179.755.80000113.8S189S187-S189 PolarHBondContact O-N 3.06Å
188A91.9Very high87.2Confident52 Ų52113.7 Ų113.743%0.4364%0.641SS.*  trans-68.5118.5-177.500000111.3C186 G190 Y191 S192C186-A188 VanDerWaalsContact C-N 3.33Å; A188-G190 VanDerWaalsContact C-N 3.3Å; A188-G190 PolarHBondContact O-N 3.14Å; A188-Y191 WeakPolarHBondContact O-CB 3.35Å; A188-Y191 PolarHBondContact O-N 2.85Å; A188-Y191 VanDerWaalsContact O-N 3.14Å; A188-S192 PolarHBondContact O-N 3.44Å
189S88.9Confident87.8Confident104 Ų104111 Ų11173%0.72761%0.613SS**Hα-helixtrans-60.7-37.2-179.856.30000113.1S187 Y191 S192 L193S187-S189 PolarHBondContact O-N 3.06Å; S189-Y191 VanDerWaalsContact C-N 3.29Å; S189-Y191 PolarHBondContact O-N 3Å; S189-S192 PolarHBondContact O-N 3.38Å; S189-L193 PolarHBondContact O-N 2.72Å
190G93Very high88.1Confident42 Ų42105 Ų10543%0.43360%0.602SS.*Hα-helixtrans-63.2-32.3176.700000113.6A188 T194A188-G190 VanDerWaalsContact C-N 3.3Å; A188-G190 PolarHBondContact O-N 3.14Å; G190-T194 WeakPolarHBondContact O-CB 3.4Å; G190-T194 PolarHBondContact O-N 2.76Å; G190-T194 VanDerWaalsContact O-N 3.08Å; G190-T194 PolarHBondContact O-OG1 2.89Å
191Y89.9Confident88.4Confident141 Ų141102.4 Ų102.455%0.55359%0.592SS**Hα-helixtrans-65.3-51174.7174.2-97.8000110.7C186 A188 S189 L193 T194 M195C186-Y191 HydrophobicContact CB-CD1 4.13Å; C186-Y191 HydrophobicContact CB-CE1 4.4Å; A188-Y191 WeakPolarHBondContact O-CB 3.35Å; A188-Y191 PolarHBondContact O-N 2.85Å; A188-Y191 VanDerWaalsContact O-N 3.14Å; S189-Y191 VanDerWaalsContact C-N 3.29Å; S189-Y191 PolarHBondContact O-N 3Å; Y191-L193 PolarHBondContact O-N 2.89Å; Y191-T194 PolarHBondContact O-N 2.78Å; Y191-M195 WeakPolarHBondContact O-CB 3.49Å; Y191-M195 PolarHBondContact O-N 2.84Å
192S88.1Confident88.7Confident62 Ų6297.6 Ų97.643%0.43457%0.571SS.*Hα-helixtrans-60.1-44.3178.2-178.80000112.2A188 S189 T194 M195 N196A188-S192 PolarHBondContact O-N 3.44Å; S189-S192 PolarHBondContact O-N 3.38Å; S192-T194 VanDerWaalsContact C-N 3.34Å; S192-T194 PolarHBondContact O-N 3.38Å; S192-M195 PolarHBondContact O-N 2.83Å; S192-N196 WeakPolarHBondContact O-CB 3.41Å; S192-N196 VanDerWaalsContact O-CG 3.25Å; S192-N196 PolarHBondContact O-N 2.79Å; S192-N196 PolarHBondContact O-ND2 3.48Å; S192-N196 VanDerWaalsContact O-ND2 3.15Å; S192-N196 PolarHBondContact OG-ND2 3.1Å
193L92.3Very high89.1Confident126 Ų12696.3 Ų96.366%0.6656%0.556SS**Hα-helixtrans-60.4-43.3177.8-175.266.2000112.1S189 Y191 K197S189-L193 PolarHBondContact O-N 2.72Å; Y191-L193 PolarHBondContact O-N 2.89Å; L193-K197 WeakPolarHBondContact O-CB 3.5Å; L193-K197 PolarHBondContact O-N 3.02Å
194T92.3Very high89.6Confident83 Ų8393 Ų9351%0.50953%0.533SS..Hα-helixtrans-67.1-44179.2-55.80000111.2G190 Y191 S192 N196 K197 H198G190-T194 WeakPolarHBondContact O-CB 3.4Å; G190-T194 PolarHBondContact O-N 2.76Å; G190-T194 VanDerWaalsContact O-N 3.08Å; G190-T194 PolarHBondContact O-OG1 2.89Å; Y191-T194 PolarHBondContact O-N 2.78Å; S192-T194 VanDerWaalsContact C-N 3.34Å; S192-T194 PolarHBondContact O-N 3.38Å; T194-N196 VanDerWaalsContact C-N 3.34Å; T194-N196 PolarHBondContact O-N 2.79Å; T194-K197 PolarHBondContact O-N 2.98Å; T194-H198 PolarHBondContact O-CD2 2.81Å; T194-H198 PolarHBondContact O-N 3.41Å; T194-H198 VanDerWaalsContact O-N 3.09Å
195M88.2Confident89.7Confident86 Ų8695.7 Ų95.742%0.42454%0.543SS..Hα-helixtrans-63-41178.4-163.165-173.600111.5Y191 S192 G199 F203Y191-M195 WeakPolarHBondContact O-CB 3.49Å; Y191-M195 PolarHBondContact O-N 2.84Å; S192-M195 PolarHBondContact O-N 2.83Å; M195-G199 WeakPolarHBondContact O-CA 3.21Å; M195-G199 PolarHBondContact O-N 3.01Å; M195-F203 HydrophobicContact CE-CE2 4.03Å
196N88.6Confident89.9Confident121 Ų12193.7 Ų93.765%0.64753%0.532SS*.Hα-helixtrans-67.8-39.5175.9-70.1-28.9000112.4S192 T194 H198S192-N196 WeakPolarHBondContact O-CB 3.41Å; S192-N196 VanDerWaalsContact O-CG 3.25Å; S192-N196 PolarHBondContact O-N 2.79Å; S192-N196 PolarHBondContact O-ND2 3.48Å; S192-N196 VanDerWaalsContact O-ND2 3.15Å; S192-N196 PolarHBondContact OG-ND2 3.1Å; T194-N196 VanDerWaalsContact C-N 3.34Å; T194-N196 PolarHBondContact O-N 2.79Å; N196-H198 VanDerWaalsContact C-N 3.35Å; N196-H198 PolarHBondContact O-N 3.41Å
197K93.9Very high90.1Very high159 Ų15992.5 Ų92.569%0.69153%0.533SS*.Hα-helixtrans-63.1-38.5178.7-176.3178.7-179.9-1790112.7L193 T194L193-K197 WeakPolarHBondContact O-CB 3.5Å; L193-K197 PolarHBondContact O-N 3.02Å; T194-K197 PolarHBondContact O-N 2.98Å
198H92.9Very high90.1Very high66 Ų6692 Ų9231%0.30652%0.52SS..Hα-helixtrans-102.9-10.3-176.9-66.5-71.6000114.1T194 N196 S200 R201T194-H198 PolarHBondContact O-CD2 2.81Å; T194-H198 PolarHBondContact O-N 3.41Å; T194-H198 VanDerWaalsContact O-N 3.09Å; N196-H198 VanDerWaalsContact C-N 3.35Å; N196-H198 PolarHBondContact O-N 3.41Å; H198-S200 VanDerWaalsContact C-N 3.3Å; H198-S200 PolarHBondContact O-N 3.41Å; H198-R201 VanDerWaalsContact O-CB 3.29Å; H198-R201 WeakPolarHBondContact O-CB 3.24Å; H198-R201 WeakPolarHBondContact O-CG 3.41Å; H198-R201 PolarHBondContact O-N 3.2Å
199G89.7Confident90.2Very high10 Ų1093.1 Ų93.110%0.10352%0.518CS..Hα-helixtrans-59.9-35.8-173.700000113.7M195 R201 F202 F203M195-G199 WeakPolarHBondContact O-CA 3.21Å; M195-G199 PolarHBondContact O-N 3.01Å; G199-R201 PolarHBondContact O-N 2.83Å; G199-F202 PolarHBondContact O-N 3.31Å; G199-F203 WeakPolarHBondContact O-CD2 3.44Å; G199-F203 PolarHBondContact O-N 3.16Å
200S89.8Confident90.3Very high85 Ų8592.1 Ų92.159%0.59450%0.501SS*.Hα-helixtrans-62.7-13.7177.6610000114.4H198 K210H198-S200 VanDerWaalsContact C-N 3.3Å; H198-S200 PolarHBondContact O-N 3.41Å; S200-K210 PolarHBondContact O-NZ 3.25Å
201R91.3Very high90.4Very high172 Ų17294.6 Ų94.665%0.64950%0.501SS*.Hα-helixtrans-68.5-44.7172.1-65-178175.4-170.6-4.9111H198 G199 K210H198-R201 VanDerWaalsContact O-CB 3.29Å; H198-R201 WeakPolarHBondContact O-CB 3.24Å; H198-R201 WeakPolarHBondContact O-CG 3.41Å; H198-R201 PolarHBondContact O-N 3.2Å; G199-R201 PolarHBondContact O-N 2.83Å; R201-K210 PolarHBondContact O-NZ 3.49Å
202F90.2Very high90.5Very high101 Ų10191.6 Ų91.644%0.44350%0.497SS..Hα-helixtrans-96.4-40.9-173.6-52.6-77.1000112.8G199 L209 K210G199-F202 PolarHBondContact O-N 3.31Å; F202-L209 HydrophobicContact CB-CD1 3.91Å; F202-K210 WeakPolarHBondContact O-CG 3.33Å; F202-K210 PolarHBondContact O-N 3.21Å
203F92.1Very high90.7Very high87 Ų8792.6 Ų92.638%0.38250%0.497SS..BIsolated β-bridgetrans-89.6139.2-177.6-62.5-78.4000111.7M195 G199 L208 K210M195-F203 HydrophobicContact CE-CE2 4.03Å; G199-F203 WeakPolarHBondContact O-CD2 3.44Å; G199-F203 PolarHBondContact O-N 3.16Å; F203-L208 CarbonylContact C-O 3.53Å; F203-L208 VanDerWaalsContact CA-O 3.32Å; F203-L208 WeakPolarHBondContact CA-O 3.18Å; F203-K210 VanDerWaalsContact O-CE 3.25Å; F203-K210 WeakPolarHBondContact O-CE 3.09Å
204S89.2Confident90.7Very high28 Ų2891.7 Ų91.720%0.19649%0.49CS..  trans-70.6165.8166.567.90000110.6S206 G207 L208S204-S206 PolarHBondContact O-N 3.38Å; S204-S206 VanDerWaalsContact O-N 3.11Å; S204-S206 PolarHBondContact OG-N 2.68Å; S204-S206 PolarHBondContact OG-OG 3.35Å; S204-G207 PolarHBondContact O-N 2.93Å; S204-L208 PolarHBondContact N-O 3.25Å; S204-L208 PolarHBondContact OG-N 2.93Å; S204-L208 VanDerWaalsContact OG-N 3.16Å; S204-L208 PolarHBondContact OG-O 3.25Å; S204-L208 VanDerWaalsContact OG-O 3.14Å
205P87.3Confident90.9Very high146 Ų14693.1 Ų93.195%0.94849%0.492SS*.THydrogen-bonded Turntrans-58.5-21171.4-24.334.9000114G207P205-G207 VanDerWaalsContact C-N 3.29Å
206S86.6Confident91.2Very high92 Ų9292.8 Ų92.864%0.64349%0.492SS*.THydrogen-bonded Turntrans-82.9-1.2174.5560000114S204 L208S204-S206 PolarHBondContact O-N 3.38Å; S204-S206 VanDerWaalsContact O-N 3.11Å; S204-S206 PolarHBondContact OG-N 2.68Å; S204-S206 PolarHBondContact OG-OG 3.35Å; S206-L208 VanDerWaalsContact C-N 3.31Å
207G86.4Confident91.6Very high51 Ų5191.4 Ų91.453%0.52648%0.481SS..SBendtrans80.67.2-179.100000114.6S204 P205S204-G207 PolarHBondContact O-N 2.93Å; P205-G207 VanDerWaalsContact C-N 3.29Å
208L90.2Very high91.7Very high119 Ų11989.6 Ų89.662%0.62348%0.476SS*.SBendtrans-90156.8176.1-61178.1000110.9F203 S204 S206F203-L208 CarbonylContact C-O 3.53Å; F203-L208 VanDerWaalsContact CA-O 3.32Å; F203-L208 WeakPolarHBondContact CA-O 3.18Å; S204-L208 PolarHBondContact N-O 3.25Å; S204-L208 PolarHBondContact OG-N 2.93Å; S204-L208 VanDerWaalsContact OG-N 3.16Å; S204-L208 PolarHBondContact OG-O 3.25Å; S204-L208 VanDerWaalsContact OG-O 3.14Å; S206-L208 VanDerWaalsContact C-N 3.31Å
209L92.9Very high91.9Very high74 Ų7490.5 Ų90.539%0.38748%0.483SS..BIsolated β-bridgetrans-76.4126.9176.5-167.268.2000109.8F202 E211 V212F202-L209 HydrophobicContact CB-CD1 3.91Å; L209-E211 VanDerWaalsContact C-N 3.3Å; L209-E211 WeakPolarHBondContact CD1-OE2 3.5Å; L209-E211 HydrophobicContact CD2-CB 4.46Å; L209-E211 HydrophobicContact CG-CB 4.4Å; L209-E211 VanDerWaalsContact CG-OE2 3.29Å; L209-E211 WeakPolarHBondContact CG-OE2 3.38Å; L209-E211 PolarHBondContact O-N 2.91Å; L209-V212 HydrophobicContact CB-CG2 3.97Å; L209-V212 HydrophobicContact CD2-CG2 4.1Å; L209-V212 HydrophobicContact CG-CG2 4.44Å; L209-V212 PolarHBondContact O-N 3.32Å
210K92.5Very high92.3Very high83 Ų8394.1 Ų94.136%0.36150%0.5SS..Hα-helixtrans-62.9-38.6-177.5-69.2175.7-169.1163.70112S200 R201 F202 F203 V212 D213 E214S200-K210 PolarHBondContact O-NZ 3.25Å; R201-K210 PolarHBondContact O-NZ 3.49Å; F202-K210 WeakPolarHBondContact O-CG 3.33Å; F202-K210 PolarHBondContact O-N 3.21Å; F203-K210 VanDerWaalsContact O-CE 3.25Å; F203-K210 WeakPolarHBondContact O-CE 3.09Å; K210-V212 PolarHBondContact O-N 2.96Å; K210-D213 WeakPolarHBondContact O-CB 3.42Å; K210-D213 PolarHBondContact O-N 3.24Å; K210-D213 VanDerWaalsContact O-N 3.1Å; K210-E214 PolarHBondContact O-N 2.86Å
211E93.8Very high92.7Very high95 Ų9593.8 Ų93.844%0.44450%0.497SS..Hα-helixtrans-62.3-29-178.9-6782.2172.800112.5L209 M215L209-E211 VanDerWaalsContact C-N 3.3Å; L209-E211 WeakPolarHBondContact CD1-OE2 3.5Å; L209-E211 HydrophobicContact CD2-CB 4.46Å; L209-E211 HydrophobicContact CG-CB 4.4Å; L209-E211 VanDerWaalsContact CG-OE2 3.29Å; L209-E211 WeakPolarHBondContact CG-OE2 3.38Å; L209-E211 PolarHBondContact O-N 2.91Å; E211-M215 VanDerWaalsContact O-CB 3.26Å; E211-M215 WeakPolarHBondContact O-CB 3.33Å; E211-M215 PolarHBondContact O-N 2.9Å
212V92.9Very high93Very high78 Ų7891.1 Ų91.147%0.47350%0.496SS..Hα-helixtrans-68-44.1174.9174.10000110.5L209 K210 M215 N216L209-V212 HydrophobicContact CB-CG2 3.97Å; L209-V212 HydrophobicContact CD2-CG2 4.1Å; L209-V212 HydrophobicContact CG-CG2 4.44Å; L209-V212 PolarHBondContact O-N 3.32Å; K210-V212 PolarHBondContact O-N 2.96Å; V212-M215 PolarHBondContact O-N 3.34Å; V212-N216 WeakPolarHBondContact O-CB 3.05Å; V212-N216 PolarHBondContact O-N 3.14Å; V212-N216 PolarHBondContact O-ND2 2.72Å
213D91.2Very high93.4Very high82 Ų8291 Ų9144%0.43950%0.496SS..Hα-helixtrans-63.8-44.3177.7-172.549.8000111.1K210 N216 K217K210-D213 WeakPolarHBondContact O-CB 3.42Å; K210-D213 PolarHBondContact O-N 3.24Å; K210-D213 VanDerWaalsContact O-N 3.1Å; D213-N216 PolarHBondContact O-N 3.2Å; D213-K217 WeakPolarHBondContact O-CG 3.19Å; D213-K217 PolarHBondContact O-N 3.36Å; D213-K217 WeakPolarHBondContact OD2-CE 3.31Å; D213-K217 IonicContact OD2-NZ 2.67Å; D213-K217 PolarHBondContact OD2-NZ 3.49Å
214E93.4Very high93.7Very high107 Ų10790.7 Ų90.750%0.550%0.502SS..Hα-helixtrans-65.2-41.5177.3-63.7-54.7122.400112.7K210 N216 K217 M218K210-E214 PolarHBondContact O-N 2.86Å; E214-N216 VanDerWaalsContact C-N 3.35Å; E214-K217 PolarHBondContact O-N 3Å; E214-K217 IonicContact OE1-NZ 2.77Å; E214-K217 PolarHBondContact OE1-NZ 3.19Å; E214-M218 WeakPolarHBondContact O-CB 3.36Å; E214-M218 PolarHBondContact O-N 3.47Å
215M95.1Very high94.1Very high114 Ų11494.8 Ų94.856%0.56252%0.518SS*.Hα-helixtrans-63.2-41.7174.8-174.964.163.900111.6E211 V212 M218 N219E211-M215 VanDerWaalsContact O-CB 3.26Å; E211-M215 WeakPolarHBondContact O-CB 3.33Å; E211-M215 PolarHBondContact O-N 2.9Å; V212-M215 PolarHBondContact O-N 3.34Å; M215-M218 HydrophobicContact CE-CE 4.37Å; M215-M218 PolarHBondContact O-N 3.07Å; M215-M218 HydrophobicContact SD-CE 3.43Å; M215-M218 WeakPolarHBondContact SD-CE 3.36Å; M215-N219 WeakPolarHBondContact O-CB 3.4Å; M215-N219 PolarHBondContact O-N 2.91Å
216N95.3Very high94.6Very high79 Ų7993 Ų9342%0.42250%0.5SS..Hα-helixtrans-63.7-46176.3-72.5-22.8000111.2V212 D213 E214 M218 N219 D220V212-N216 WeakPolarHBondContact O-CB 3.05Å; V212-N216 PolarHBondContact O-N 3.14Å; V212-N216 PolarHBondContact O-ND2 2.72Å; D213-N216 PolarHBondContact O-N 3.2Å; E214-N216 VanDerWaalsContact C-N 3.35Å; N216-M218 VanDerWaalsContact C-N 3.3Å; N216-M218 PolarHBondContact O-N 2.73Å; N216-N219 CarbonylContact O-C 3.6Å; N216-N219 PolarHBondContact O-N 3.23Å; N216-N219 VanDerWaalsContact O-N 3.13Å; N216-D220 WeakPolarHBondContact O-CB 3.15Å; N216-D220 PolarHBondContact O-N 3.23Å
217K96.3Very high95.1Very high92 Ų9293.1 Ų93.140%0.449%0.49SS..Hα-helixtrans-58.6-41.6175.5-72.9171.9-166.8157.40112.5D213 E214 S221D213-K217 WeakPolarHBondContact O-CG 3.19Å; D213-K217 PolarHBondContact O-N 3.36Å; D213-K217 WeakPolarHBondContact OD2-CE 3.31Å; D213-K217 IonicContact OD2-NZ 2.67Å; D213-K217 PolarHBondContact OD2-NZ 3.49Å; E214-K217 PolarHBondContact O-N 3Å; E214-K217 IonicContact OE1-NZ 2.77Å; E214-K217 PolarHBondContact OE1-NZ 3.19Å; K217-S221 WeakPolarHBondContact O-CB 3.13Å; K217-S221 PolarHBondContact O-N 3.07Å; K217-S221 PolarHBondContact O-OG 2.85Å
218M97.4Very high95.6Very high120 Ų12095.3 Ų95.359%0.59149%0.485SS*.Hα-helixtrans-63.2-45.4176.1-175.2-175.675.600110.9E214 M215 N216 S221 L222E214-M218 WeakPolarHBondContact O-CB 3.36Å; E214-M218 PolarHBondContact O-N 3.47Å; M215-M218 HydrophobicContact CE-CE 4.37Å; M215-M218 PolarHBondContact O-N 3.07Å; M215-M218 HydrophobicContact SD-CE 3.43Å; M215-M218 WeakPolarHBondContact SD-CE 3.36Å; N216-M218 VanDerWaalsContact C-N 3.3Å; N216-M218 PolarHBondContact O-N 2.73Å; M218-S221 PolarHBondContact O-N 2.98Å; M218-L222 PolarHBondContact O-N 3.03Å
219N97.3Very high96Very high85 Ų8591.7 Ų91.746%0.45547%0.473SS..Hα-helixtrans-65.2-41.5177.9-174.161000112.4M215 N216 S221 L222 Q223M215-N219 WeakPolarHBondContact O-CB 3.4Å; M215-N219 PolarHBondContact O-N 2.91Å; N216-N219 CarbonylContact O-C 3.6Å; N216-N219 PolarHBondContact O-N 3.23Å; N216-N219 VanDerWaalsContact O-N 3.13Å; N219-S221 VanDerWaalsContact C-N 3.33Å; N219-S221 PolarHBondContact O-N 3.27Å; N219-L222 PolarHBondContact O-N 2.94Å; N219-Q223 WeakPolarHBondContact O-CB 3.46Å; N219-Q223 PolarHBondContact O-N 3.01Å
220D97.9Very high96.2Very high87 Ų8791.7 Ų91.747%0.46548%0.478SS..Hα-helixtrans-62.2-43.2176.2-68.6-17.8000110.6N216 L222 Q223 V224N216-D220 WeakPolarHBondContact O-CB 3.15Å; N216-D220 PolarHBondContact O-N 3.23Å; D220-L222 PolarHBondContact O-N 3.46Å; D220-Q223 PolarHBondContact O-N 3.36Å; D220-V224 WeakPolarHBondContact O-CG2 3.5Å; D220-V224 PolarHBondContact O-N 2.81Å
221S97.8Very high96.5Very high77 Ų7793.7 Ų93.754%0.53848%0.483SS..Hα-helixtrans-61.4-44.7175.7-58.20000111.5K217 M218 N219 Q223 V224 E225K217-S221 WeakPolarHBondContact O-CB 3.13Å; K217-S221 PolarHBondContact O-N 3.07Å; K217-S221 PolarHBondContact O-OG 2.85Å; M218-S221 PolarHBondContact O-N 2.98Å; N219-S221 VanDerWaalsContact C-N 3.33Å; N219-S221 PolarHBondContact O-N 3.27Å; S221-Q223 VanDerWaalsContact C-N 3.32Å; S221-Q223 PolarHBondContact O-N 2.96Å; S221-V224 PolarHBondContact O-N 3.49Å; S221-E225 PolarHBondContact O-N 3.25Å
222L97.7Very high96.7Very high117 Ų11794.2 Ų94.261%0.61349%0.486SS*.Hα-helixtrans-62.9-39175.5-178.863.9000111.9M218 N219 D220 E225 L226M218-L222 PolarHBondContact O-N 3.03Å; N219-L222 PolarHBondContact O-N 2.94Å; D220-L222 PolarHBondContact O-N 3.46Å; L222-E225 PolarHBondContact O-N 2.92Å; L222-L226 WeakPolarHBondContact O-CB 3.44Å; L222-L226 PolarHBondContact O-N 3.48Å
223Q97.8Very high96.9Very high97 Ų9794.5 Ų94.545%0.45349%0.487SS..Hα-helixtrans-66.2-38178.2-171.9174.78.700111.9N219 D220 S221 L226 Q227N219-Q223 WeakPolarHBondContact O-CB 3.46Å; N219-Q223 PolarHBondContact O-N 3.01Å; D220-Q223 PolarHBondContact O-N 3.36Å; S221-Q223 VanDerWaalsContact C-N 3.32Å; S221-Q223 PolarHBondContact O-N 2.96Å; Q223-L226 PolarHBondContact O-N 3.49Å; Q223-Q227 WeakPolarHBondContact O-CG 3.5Å; Q223-Q227 PolarHBondContact O-N 3.5Å
224V97.9Very high97.2Very high82 Ų8295.3 Ų95.350%0.49749%0.488SS..Hα-helixtrans-63-45.7174.7170.40000111.1D220 S221 L226 Q227 K228D220-V224 WeakPolarHBondContact O-CG2 3.5Å; D220-V224 PolarHBondContact O-N 2.81Å; S221-V224 PolarHBondContact O-N 3.49Å; V224-L226 VanDerWaalsContact C-N 3.35Å; V224-Q227 PolarHBondContact O-N 3.03Å; V224-K228 PolarHBondContact O-N 3.5Å
225E97.9Very high97.4Very high113 Ų11396 Ų9653%0.52849%0.492SS..Hα-helixtrans-63.2-40.9175.7-71.4-58.4141.400111.8S221 L222 Q227 K228 A229S221-E225 PolarHBondContact O-N 3.25Å; L222-E225 PolarHBondContact O-N 2.92Å; E225-Q227 PolarHBondContact O-N 2.72Å; E225-K228 WeakPolarHBondContact O-CB 3.32Å; E225-K228 PolarHBondContact O-N 3.36Å; E225-A229 PolarHBondContact O-N 3.23Å
226L97.6Very high97.5Very high110 Ų11093.3 Ų93.358%0.57648%0.484SS*.Hα-helixtrans-61.5-44.5175.5-17763.2000111.7L222 Q223 V224 K228 A229 C230L222-L226 WeakPolarHBondContact O-CB 3.44Å; L222-L226 PolarHBondContact O-N 3.48Å; Q223-L226 PolarHBondContact O-N 3.49Å; V224-L226 VanDerWaalsContact C-N 3.35Å; L226-K228 VanDerWaalsContact C-N 3.27Å; L226-K228 PolarHBondContact O-N 3.35Å; L226-A229 PolarHBondContact O-N 3.05Å; L226-C230 PolarHBondContact O-N 3.23Å; L226-C230 PolarHBondContact O-SG 3.15Å
227Q97.8Very high97.6Very high94 Ų9495.3 Ų95.344%0.43949%0.491SS..Hα-helixtrans-62.2-35.8176.3-75.1177.67.600112.3Q223 V224 E225 C230 R231Q223-Q227 WeakPolarHBondContact O-CG 3.5Å; Q223-Q227 PolarHBondContact O-N 3.5Å; V224-Q227 PolarHBondContact O-N 3.03Å; E225-Q227 PolarHBondContact O-N 2.72Å; Q227-C230 PolarHBondContact O-N 3.36Å; Q227-R231 PolarHBondContact O-N 3.42Å
228K97.9Very high97.7Very high96 Ų9697.4 Ų97.442%0.41750%0.496SS..Hα-helixtrans-64.4-49.9174.6-175.1-170.6171.9-161.60110.7V224 E225 L226 C230 R231 E232V224-K228 PolarHBondContact O-N 3.5Å; E225-K228 WeakPolarHBondContact O-CB 3.32Å; E225-K228 PolarHBondContact O-N 3.36Å; L226-K228 VanDerWaalsContact C-N 3.27Å; L226-K228 PolarHBondContact O-N 3.35Å; K228-C230 VanDerWaalsContact C-N 3.29Å; K228-C230 PolarHBondContact O-N 2.87Å; K228-R231 PolarHBondContact O-N 3.49Å; K228-R231 VanDerWaalsContact O-N 3.1Å; K228-E232 VanDerWaalsContact CE-OE1 3.24Å; K228-E232 WeakPolarHBondContact CE-OE1 3.41Å; K228-E232 PolarHBondContact O-N 3.32Å; K228-E232 VanDerWaalsContact O-N 3.11Å
229A97.4Very high97.7Very high44 Ų4494.2 Ų94.236%0.36449%0.489SS..Hα-helixtrans-59.1-38.8176.200000112.2E225 L226 R231 E232 V233E225-A229 PolarHBondContact O-N 3.23Å; L226-A229 PolarHBondContact O-N 3.05Å; A229-R231 VanDerWaalsContact C-N 3.34Å; A229-R231 PolarHBondContact O-N 3.24Å; A229-E232 PolarHBondContact O-N 3.4Å; A229-V233 VanDerWaalsContact O-CG2 3.32Å; A229-V233 WeakPolarHBondContact O-CG2 3.19Å; A229-V233 PolarHBondContact O-N 2.87Å
230C97.8Very high97.6Very high73 Ų7393.1 Ų93.149%0.49349%0.485SS..Hα-helixtrans-59.3-42174.7-70.50000112.7L226 Q227 K228 V233 E234L226-C230 PolarHBondContact O-N 3.23Å; L226-C230 PolarHBondContact O-SG 3.15Å; Q227-C230 PolarHBondContact O-N 3.36Å; K228-C230 VanDerWaalsContact C-N 3.29Å; K228-C230 PolarHBondContact O-N 2.87Å; C230-V233 PolarHBondContact O-N 3.49Å; C230-E234 WeakPolarHBondContact O-CB 3.32Å; C230-E234 PolarHBondContact O-N 3.04Å
231R97.8Very high97.6Very high126 Ų12694.6 Ų94.648%0.47549%0.489SS..Hα-helixtrans-65.2-44177.1-72.9-174.8-71.4-96.50.6111.7Q227 K228 A229 V233 E234 E235Q227-R231 PolarHBondContact O-N 3.42Å; K228-R231 PolarHBondContact O-N 3.49Å; K228-R231 VanDerWaalsContact O-N 3.1Å; A229-R231 VanDerWaalsContact C-N 3.34Å; A229-R231 PolarHBondContact O-N 3.24Å; R231-V233 PolarHBondContact O-N 2.89Å; R231-E234 PolarHBondContact O-N 3.39Å; R231-E235 WeakPolarHBondContact O-CG 3.44Å; R231-E235 PolarHBondContact O-N 2.86Å
232E97.9Very high97.6Very high106 Ų10693.7 Ų93.750%0.49549%0.486SS..Hα-helixtrans-62.2-43.1177.7-68.2174.1-173.700111.5K228 A229 E235 S236K228-E232 VanDerWaalsContact CE-OE1 3.24Å; K228-E232 WeakPolarHBondContact CE-OE1 3.41Å; K228-E232 PolarHBondContact O-N 3.32Å; K228-E232 VanDerWaalsContact O-N 3.11Å; A229-E232 PolarHBondContact O-N 3.4Å; E232-E235 PolarHBondContact O-N 3.21Å; E232-S236 WeakPolarHBondContact O-CB 3.24Å; E232-S236 PolarHBondContact O-N 3.07Å; E232-S236 PolarHBondContact O-OG 3.46Å
233V97.3Very high97.6Very high84 Ų8493 Ų9351%0.50948%0.483SS..Hα-helixtrans-63.4-45.6175.5171.90000110.8A229 C230 R231 E235 S236 E237A229-V233 VanDerWaalsContact O-CG2 3.32Å; A229-V233 WeakPolarHBondContact O-CG2 3.19Å; A229-V233 PolarHBondContact O-N 2.87Å; C230-V233 PolarHBondContact O-N 3.49Å; R231-V233 PolarHBondContact O-N 2.89Å; V233-E235 PolarHBondContact O-N 3.24Å; V233-S236 WeakPolarHBondContact CA-OG 3.42Å; V233-S236 PolarHBondContact O-N 3.07Å; V233-S236 PolarHBondContact O-OG 3.08Å; V233-E237 HydrophobicContact CG1-CG 4.24Å; V233-E237 WeakPolarHBondContact O-CG 3.45Å; V233-E237 PolarHBondContact O-N 3.25Å
234E97.9Very high97.4Very high98 Ų9894.5 Ų94.546%0.45849%0.49SS..Hα-helixtrans-58-46.7177.5-174.7-171.7-178.600112.1C230 R231 S236 E237 R238C230-E234 WeakPolarHBondContact O-CB 3.32Å; C230-E234 PolarHBondContact O-N 3.04Å; R231-E234 PolarHBondContact O-N 3.39Å; E234-S236 VanDerWaalsContact C-N 3.31Å; E234-S236 PolarHBondContact O-N 3.1Å; E234-E237 PolarHBondContact O-N 3.08Å; E234-R238 WeakPolarHBondContact O-CG 3.39Å; E234-R238 PolarHBondContact O-N 2.92Å; E234-R238 VanDerWaalsContact O-N 3.08Å; E234-R238 IonicContact OE1-CZ 3.49Å; E234-R238 IonicContact OE1-NE 3.64Å; E234-R238 IonicContact OE1-NH2 2.63Å; E234-R238 PolarHBondContact OE1-NH2 3.16Å; E234-R238 IonicContact OE2-NH2 3.61Å
235E97.9Very high97.3Very high122 Ų12295.8 Ų95.857%0.5749%0.493SS*.Hα-helixtrans-61.3-41.3176.5-72.4176.3-175.600111.7R231 E232 V233 R238 A239R231-E235 WeakPolarHBondContact O-CG 3.44Å; R231-E235 PolarHBondContact O-N 2.86Å; E232-E235 PolarHBondContact O-N 3.21Å; V233-E235 PolarHBondContact O-N 3.24Å; E235-R238 PolarHBondContact O-N 2.95Å; E235-A239 PolarHBondContact O-N 3.31Å; E235-A239 VanDerWaalsContact O-N 3.07Å
236S97.4Very high97.3Very high57 Ų5795.9 Ų95.940%0.39949%0.493SS..Hα-helixtrans-66.1-40.2177.577.10000112.8E232 V233 E234 A239 V240E232-S236 WeakPolarHBondContact O-CB 3.24Å; E232-S236 PolarHBondContact O-N 3.07Å; E232-S236 PolarHBondContact O-OG 3.46Å; V233-S236 WeakPolarHBondContact CA-OG 3.42Å; V233-S236 PolarHBondContact O-N 3.07Å; V233-S236 PolarHBondContact O-OG 3.08Å; E234-S236 VanDerWaalsContact C-N 3.31Å; E234-S236 PolarHBondContact O-N 3.1Å; S236-A239 PolarHBondContact O-N 3.17Å; S236-V240 WeakPolarHBondContact O-CG2 3.3Å; S236-V240 PolarHBondContact O-N 3.43Å
237E96.9Very high97.3Very high121 Ų12194 Ų9457%0.56549%0.486SS*.Hα-helixtrans-64.8-43177.3-73.9-67.2152.800111V233 E234 A239 V240 E241V233-E237 HydrophobicContact CG1-CG 4.24Å; V233-E237 WeakPolarHBondContact O-CG 3.45Å; V233-E237 PolarHBondContact O-N 3.25Å; E234-E237 PolarHBondContact O-N 3.08Å; E237-A239 VanDerWaalsContact C-N 3.31Å; E237-A239 PolarHBondContact O-N 3.36Å; E237-V240 PolarHBondContact O-N 3.42Å; E237-E241 WeakPolarHBondContact O-CB 3.48Å; E237-E241 PolarHBondContact O-N 3.32Å
238R97.8Very high97.1Very high136 Ų13692.5 Ų92.551%0.51349%0.486SS..Hα-helixtrans-61.6-39.1174.2-67-168.2-142.1131.4-6.5112.1E234 E235 E241 A242E234-R238 WeakPolarHBondContact O-CG 3.39Å; E234-R238 PolarHBondContact O-N 2.92Å; E234-R238 VanDerWaalsContact O-N 3.08Å; E234-R238 IonicContact OE1-CZ 3.49Å; E234-R238 IonicContact OE1-NE 3.64Å; E234-R238 IonicContact OE1-NH2 2.63Å; E234-R238 PolarHBondContact OE1-NH2 3.16Å; E234-R238 IonicContact OE2-NH2 3.61Å; E235-R238 PolarHBondContact O-N 2.95Å; R238-E241 PolarHBondContact O-N 3.08Å; R238-A242 PolarHBondContact O-N 3.45Å; R238-A242 VanDerWaalsContact O-N 3.1Å
239A97.9Very high97.1Very high53 Ų5390.4 Ų90.444%0.43849%0.487SS..Hα-helixtrans-66.3-41.8176.300000111.8E235 S236 E237 A242 L243E235-A239 PolarHBondContact O-N 3.31Å; E235-A239 VanDerWaalsContact O-N 3.07Å; S236-A239 PolarHBondContact O-N 3.17Å; E237-A239 VanDerWaalsContact C-N 3.31Å; E237-A239 PolarHBondContact O-N 3.36Å; A239-A242 PolarHBondContact O-N 3.11Å; A239-L243 WeakPolarHBondContact O-CG 3.43Å; A239-L243 PolarHBondContact O-N 3Å
240V96.1Very high97Very high63 Ų6393.2 Ų93.238%0.38250%0.496SS..Hα-helixtrans-63-43.1175.6169.50000111S236 E237 A242 L243 Q244S236-V240 WeakPolarHBondContact O-CG2 3.3Å; S236-V240 PolarHBondContact O-N 3.43Å; E237-V240 PolarHBondContact O-N 3.42Å; V240-A242 PolarHBondContact O-N 3.5Å; V240-L243 PolarHBondContact O-N 3.49Å; V240-Q244 HydrophobicContact CG1-CG 4.23Å; V240-Q244 VanDerWaalsContact CG1-NE2 3.34Å; V240-Q244 WeakPolarHBondContact O-CB 3.44Å; V240-Q244 VanDerWaalsContact O-CG 3.24Å; V240-Q244 WeakPolarHBondContact O-CG 3.4Å; V240-Q244 PolarHBondContact O-N 3.45Å
241E96.4Very high96.9Very high118 Ų11895.8 Ų95.855%0.55150%0.498SS*.Hα-helixtrans-57.9-48.6175.5-176.7-179.2-160.600111.4E237 R238 L243 Q244 L245E237-E241 WeakPolarHBondContact O-CB 3.48Å; E237-E241 PolarHBondContact O-N 3.32Å; R238-E241 PolarHBondContact O-N 3.08Å; E241-L243 PolarHBondContact O-N 3.48Å; E241-Q244 PolarHBondContact O-N 2.98Å; E241-L245 WeakPolarHBondContact O-CG 3.37Å; E241-L245 PolarHBondContact O-N 3.34Å
242A97.7Very high96.8Very high57 Ų5795.3 Ų95.347%0.47150%0.5SS..Hα-helixtrans-59.5-44.717800000112.2R238 A239 V240 L245 E246R238-A242 PolarHBondContact O-N 3.45Å; R238-A242 VanDerWaalsContact O-N 3.1Å; A239-A242 PolarHBondContact O-N 3.11Å; V240-A242 PolarHBondContact O-N 3.5Å; A242-L245 PolarHBondContact O-N 3.37Å; A242-E246 PolarHBondContact O-N 3.39Å; A242-E246 VanDerWaalsContact O-N 3.07Å
243L97.7Very high96.6Very high104 Ų10493 Ų9355%0.54550%0.495SS..Hα-helixtrans-66-39177.3-72.5171.9000112.3A239 V240 E241 L245 E246 V247A239-L243 WeakPolarHBondContact O-CG 3.43Å; A239-L243 PolarHBondContact O-N 3Å; V240-L243 PolarHBondContact O-N 3.49Å; E241-L243 PolarHBondContact O-N 3.48Å; L243-L245 VanDerWaalsContact C-N 3.33Å; L243-L245 PolarHBondContact O-N 3.23Å; L243-E246 PolarHBondContact O-N 2.99Å; L243-V247 WeakPolarHBondContact O-CB 3.26Å; L243-V247 VanDerWaalsContact O-CG2 3.29Å; L243-V247 WeakPolarHBondContact O-CG2 3.39Å; L243-V247 PolarHBondContact O-N 3.46Å
244Q94.8Very high96.5Very high128 Ų12893.5 Ų93.560%0.59849%0.494SS*.Hα-helixtrans-62.9-41.6176.3-76.1177.15.900111.4V240 E241 V247 S248V240-Q244 HydrophobicContact CG1-CG 4.23Å; V240-Q244 VanDerWaalsContact CG1-NE2 3.34Å; V240-Q244 WeakPolarHBondContact O-CB 3.44Å; V240-Q244 VanDerWaalsContact O-CG 3.24Å; V240-Q244 WeakPolarHBondContact O-CG 3.4Å; V240-Q244 PolarHBondContact O-N 3.45Å; E241-Q244 PolarHBondContact O-N 2.98Å; Q244-V247 PolarHBondContact O-N 3.2Å; Q244-S248 WeakPolarHBondContact O-CB 3.4Å; Q244-S248 PolarHBondContact O-N 2.84Å
245L96.2Very high96.4Very high109 Ų10995 Ų9557%0.57150%0.496SS*.Hα-helixtrans-61.5-46.7175-71.2173.7000111.3E241 A242 L243 S248 A249E241-L245 WeakPolarHBondContact O-CG 3.37Å; E241-L245 PolarHBondContact O-N 3.34Å; A242-L245 PolarHBondContact O-N 3.37Å; L243-L245 VanDerWaalsContact C-N 3.33Å; L243-L245 PolarHBondContact O-N 3.23Å; L245-S248 PolarHBondContact O-N 3.39Å; L245-S248 PolarHBondContact O-OG 2.86Å; L245-A249 PolarHBondContact O-N 3.41Å
246E97.6Very high96.1Very high114 Ų11493.9 Ų93.953%0.53349%0.491SS..Hα-helixtrans-60.8-48.6177.2-172.2179.7179.800112A242 L243 S248 A249 L250A242-E246 PolarHBondContact O-N 3.39Å; A242-E246 VanDerWaalsContact O-N 3.07Å; L243-E246 PolarHBondContact O-N 2.99Å; E246-S248 VanDerWaalsContact C-N 3.27Å; E246-S248 PolarHBondContact O-N 2.92Å; E246-A249 PolarHBondContact O-N 3.49Å; E246-L250 HydrophobicContact CG-CD1 4.1Å; E246-L250 HydrophobicContact CG-CG 4.48Å; E246-L250 WeakPolarHBondContact O-CB 3.42Å; E246-L250 WeakPolarHBondContact O-CG 3.41Å; E246-L250 PolarHBondContact O-N 3.17Å
247V96.4Very high95.9Very high70 Ų7098.6 Ų98.642%0.42450%0.504SS..Hα-helixtrans-59.9-39.3177170.20000111L243 Q244 K251L243-V247 WeakPolarHBondContact O-CB 3.26Å; L243-V247 VanDerWaalsContact O-CG2 3.29Å; L243-V247 WeakPolarHBondContact O-CG2 3.39Å; L243-V247 PolarHBondContact O-N 3.46Å; Q244-V247 PolarHBondContact O-N 3.2Å; V247-K251 HydrophobicContact CG1-CD 4.04Å; V247-K251 HydrophobicContact CG1-CG 4.43Å; V247-K251 WeakPolarHBondContact O-CB 3.41Å; V247-K251 VanDerWaalsContact O-CG 3.25Å; V247-K251 WeakPolarHBondContact O-CG 3.5Å; V247-K251 PolarHBondContact O-N 3.22Å
248S94.8Very high95.5Very high63 Ų6397.7 Ų97.744%0.44150%0.5SS..Hα-helixtrans-66.2-41177.981.10000112.2Q244 L245 E246 K251 K252Q244-S248 WeakPolarHBondContact O-CB 3.4Å; Q244-S248 PolarHBondContact O-N 2.84Å; L245-S248 PolarHBondContact O-N 3.39Å; L245-S248 PolarHBondContact O-OG 2.86Å; E246-S248 VanDerWaalsContact C-N 3.27Å; E246-S248 PolarHBondContact O-N 2.92Å; S248-K251 PolarHBondContact O-N 3.32Å; S248-K252 PolarHBondContact O-N 3.27Å
249A96.6Very high94.8Very high52 Ų5297.8 Ų97.843%0.4351%0.506SS..Hα-helixtrans-65.7-46.7176.800000111.1L245 E246 K251 K252 S253L245-A249 PolarHBondContact O-N 3.41Å; E246-A249 PolarHBondContact O-N 3.49Å; A249-K251 PolarHBondContact O-N 3.38Å; A249-K252 WeakPolarHBondContact O-CB 3.38Å; A249-K252 PolarHBondContact O-N 3.24Å; A249-K252 VanDerWaalsContact O-N 3.1Å; A249-S253 PolarHBondContact O-N 3.27Å; A249-S253 PolarHBondContact O-OG 3.34Å
250L97.1Very high93.8Very high104 Ų10499 Ų9955%0.54551%0.511SS..Hα-helixtrans-60.4-44.9175.9-71.8173.2000111.8E246 K252 S253 L254E246-L250 HydrophobicContact CG-CD1 4.1Å; E246-L250 HydrophobicContact CG-CG 4.48Å; E246-L250 WeakPolarHBondContact O-CB 3.42Å; E246-L250 WeakPolarHBondContact O-CG 3.41Å; E246-L250 PolarHBondContact O-N 3.17Å; L250-K252 VanDerWaalsContact C-N 3.27Å; L250-K252 PolarHBondContact O-N 2.89Å; L250-S253 PolarHBondContact O-N 3.47Å; L250-L254 WeakPolarHBondContact O-CB 3.29Å; L250-L254 PolarHBondContact O-N 2.92Å
251K95.1Very high92.2Very high127 Ų12799.5 Ų99.555%0.55252%0.517SS*.Hα-helixtrans-60-37.6174.6-77.7175.7179.3175.20111.8V247 S248 A249 R255V247-K251 HydrophobicContact CG1-CD 4.04Å; V247-K251 HydrophobicContact CG1-CG 4.43Å; V247-K251 WeakPolarHBondContact O-CB 3.41Å; V247-K251 VanDerWaalsContact O-CG 3.25Å; V247-K251 WeakPolarHBondContact O-CG 3.5Å; V247-K251 PolarHBondContact O-N 3.22Å; S248-K251 PolarHBondContact O-N 3.32Å; A249-K251 PolarHBondContact O-N 3.38Å; K251-R255 WeakPolarHBondContact O-CG 3.46Å; K251-R255 PolarHBondContact O-N 3.1Å; K251-R255 VanDerWaalsContact O-N 3.13Å; K251-R255 PolarHBondContact O-NH1 3.35Å
252K95.3Very high90.3Very high116 Ų116101.6 Ų101.650%0.50453%0.527SS..Hα-helixtrans-66.2-50.2176.6-174.1-177.5175-174.70111.5S248 A249 L250 L254 R255 E256S248-K252 PolarHBondContact O-N 3.27Å; A249-K252 WeakPolarHBondContact O-CB 3.38Å; A249-K252 PolarHBondContact O-N 3.24Å; A249-K252 VanDerWaalsContact O-N 3.1Å; L250-K252 VanDerWaalsContact C-N 3.27Å; L250-K252 PolarHBondContact O-N 2.89Å; K252-L254 VanDerWaalsContact C-N 3.26Å; K252-L254 PolarHBondContact O-N 3.38Å; K252-R255 PolarHBondContact O-N 3.21Å; K252-R255 VanDerWaalsContact O-N 3.15Å; K252-E256 WeakPolarHBondContact CE-OE1 3.37Å; K252-E256 WeakPolarHBondContact O-CG 3.32Å; K252-E256 PolarHBondContact O-N 3.5Å
253S94.8Very high88.1Confident56 Ų56102.1 Ų102.139%0.39254%0.538SS..Hα-helixtrans-61.6-34.2177.4-60.90000112.8A249 L250 E256 K257A249-S253 PolarHBondContact O-N 3.27Å; A249-S253 PolarHBondContact O-OG 3.34Å; L250-S253 PolarHBondContact O-N 3.47Å; S253-E256 PolarHBondContact O-N 2.63Å; S253-K257 WeakPolarHBondContact O-CG 3.29Å; S253-K257 PolarHBondContact O-N 3.25Å
254L95.2Very high85.6Confident96 Ų96105.5 Ų105.550%0.50355%0.548SS..Hα-helixtrans-66-43.4175.4-168.7151.2000111.5L250 K252 K257 Q258L250-L254 WeakPolarHBondContact O-CB 3.29Å; L250-L254 PolarHBondContact O-N 2.92Å; K252-L254 VanDerWaalsContact C-N 3.26Å; K252-L254 PolarHBondContact O-N 3.38Å; L254-K257 PolarHBondContact O-N 3.2Å; L254-Q258 VanDerWaalsContact CD2-CD 3.43Å; L254-Q258 HydrophobicContact CD2-CG 4.18Å; L254-Q258 VanDerWaalsContact CD2-NE2 3.32Å; L254-Q258 WeakPolarHBondContact O-CG 3.46Å; L254-Q258 PolarHBondContact O-N 2.95Å
255R94.1Very high82.9Confident129 Ų129105.3 Ų105.349%0.48756%0.555SS.*Hα-helixtrans-61.8-42.9174.4-72.4-172.8-60.6-94.73.9112.2K251 K252 Q258 Q259K251-R255 WeakPolarHBondContact O-CG 3.46Å; K251-R255 PolarHBondContact O-N 3.1Å; K251-R255 VanDerWaalsContact O-N 3.13Å; K251-R255 PolarHBondContact O-NH1 3.35Å; K252-R255 PolarHBondContact O-N 3.21Å; K252-R255 VanDerWaalsContact O-N 3.15Å; R255-Q258 PolarHBondContact O-N 3.46Å; R255-Q259 WeakPolarHBondContact O-CG 3.37Å; R255-Q259 PolarHBondContact O-N 3.39Å
256E93.4Very high80.3Confident99 Ų99105 Ų10546%0.46356%0.56SS.*Hα-helixtrans-63.4-41.4178.1-71168.2-179.400112K252 S253 Q259 S260K252-E256 WeakPolarHBondContact CE-OE1 3.37Å; K252-E256 WeakPolarHBondContact O-CG 3.32Å; K252-E256 PolarHBondContact O-N 3.5Å; S253-E256 PolarHBondContact O-N 2.63Å; E256-Q259 PolarHBondContact O-N 2.98Å; E256-S260 PolarHBondContact O-N 2.97Å; E256-S260 PolarHBondContact O-OG 3.02Å
257K91.5Very high77.5Confident155 Ų155103.5 Ų103.567%0.67458%0.575SS**Hα-helixtrans-67.2-36.9174.8-74.6-178.7179.6-1790113S253 L254 S260 S261S253-K257 WeakPolarHBondContact O-CG 3.29Å; S253-K257 PolarHBondContact O-N 3.25Å; L254-K257 PolarHBondContact O-N 3.2Å; K257-S260 PolarHBondContact O-N 3.48Å; K257-S260 PolarHBondContact O-OG 2.78Å; K257-S260 VanDerWaalsContact O-OG 3.06Å; K257-S261 WeakPolarHBondContact O-CB 3.33Å; K257-S261 PolarHBondContact O-N 3.13Å; K257-S261 VanDerWaalsContact O-N 3.07Å; K257-S261 PolarHBondContact O-OG 3.35Å
258Q88.8Confident74.5Confident103 Ų103105.8 Ų105.848%0.48159%0.589SS.*Hα-helixtrans-65-45.5175.7-77.7176.5-21.100111.1L254 R255 S260 S261 E262L254-Q258 VanDerWaalsContact CD2-CD 3.43Å; L254-Q258 HydrophobicContact CD2-CG 4.18Å; L254-Q258 VanDerWaalsContact CD2-NE2 3.32Å; L254-Q258 WeakPolarHBondContact O-CG 3.46Å; L254-Q258 PolarHBondContact O-N 2.95Å; R255-Q258 PolarHBondContact O-N 3.46Å; Q258-S260 VanDerWaalsContact C-N 3.35Å; Q258-S260 PolarHBondContact O-N 2.95Å; Q258-S261 PolarHBondContact O-N 2.93Å; Q258-S261 VanDerWaalsContact O-N 3.14Å; Q258-S261 PolarHBondContact O-OG 3.37Å; Q258-E262 PolarHBondContact O-N 2.78Å
259Q82.8Confident71.8Confident138 Ų138108.5 Ų108.565%0.64561%0.608SS**Hα-helixtrans-64.5-35.7177-70.6175.70.900112.9R255 E256 S261 G263R255-Q259 WeakPolarHBondContact O-CG 3.37Å; R255-Q259 PolarHBondContact O-N 3.39Å; E256-Q259 PolarHBondContact O-N 2.98Å; Q259-S261 VanDerWaalsContact C-N 3.32Å; Q259-G263 PolarHBondContact O-N 2.97Å
260S76.8Confident69Low77 Ų77110.7 Ų110.754%0.53862%0.621SS.*Hα-helixtrans-73.3-24.1175.173.40000113.4E256 K257 Q258E256-S260 PolarHBondContact O-N 2.97Å; E256-S260 PolarHBondContact O-OG 3.02Å; K257-S260 PolarHBondContact O-N 3.48Å; K257-S260 PolarHBondContact O-OG 2.78Å; K257-S260 VanDerWaalsContact O-OG 3.06Å; Q258-S260 VanDerWaalsContact C-N 3.35Å; Q258-S260 PolarHBondContact O-N 2.95Å
261S63.3Low66.2Low74 Ų74111.2 Ų111.252%0.51763%0.63SS.*Hα-helixtrans-81.8-36.5176.472.80000113.4K257 Q258 Q259 G263 K264K257-S261 WeakPolarHBondContact O-CB 3.33Å; K257-S261 PolarHBondContact O-N 3.13Å; K257-S261 VanDerWaalsContact O-N 3.07Å; K257-S261 PolarHBondContact O-OG 3.35Å; Q258-S261 PolarHBondContact O-N 2.93Å; Q258-S261 VanDerWaalsContact O-N 3.14Å; Q258-S261 PolarHBondContact O-OG 3.37Å; Q259-S261 VanDerWaalsContact C-N 3.32Å; S261-G263 VanDerWaalsContact C-N 3.26Å; S261-G263 PolarHBondContact O-N 3.08Å; S261-K264 PolarHBondContact O-N 3.42Å; S261-K264 VanDerWaalsContact O-N 3.16Å
262E56.1Low63.7Low163 Ų163113.1 Ų113.176%0.76264%0.644SS**Hα-helixtrans-69.7-23.8173.2-71.9179.616700112.3Q258 K264Q258-E262 PolarHBondContact O-N 2.78Å; E262-K264 VanDerWaalsContact C-N 3.34Å
263G51.3Low61.5Low67 Ų67115.8 Ų115.869%0.69166%0.659SS**THydrogen-bonded Turntrans-80.5-5.3171.300000115.3Q259 S261Q259-G263 PolarHBondContact O-N 2.97Å; S261-G263 VanDerWaalsContact C-N 3.26Å; S261-G263 PolarHBondContact O-N 3.08Å
264K45.9Very low59.6Low175 Ų175116.1 Ų116.176%0.76166%0.659SS**  trans-117.566.7178.5-104-176.4177.81790110.4S261 E262 P266S261-K264 PolarHBondContact O-N 3.42Å; S261-K264 VanDerWaalsContact O-N 3.16Å; E262-K264 VanDerWaalsContact C-N 3.34Å; K264-P266 WeakPolarHBondContact O-CD 3.06Å
265V38.7Very low57.7Low124 Ų124123.9 Ų123.975%0.75268%0.682SS**  trans-65.3119.3150.3-1800000106G267V265-G267 PolarHBondContact O-N 3.06Å
266P42Very low56.3Low104 Ų104120.4 Ų120.468%0.67567%0.673SS**  trans-65.1114.5172.621-19.4000106.8K264 T268K264-P266 WeakPolarHBondContact O-CD 3.06Å; P266-T268 PolarHBondContact O-N 3.03Å
267G37.1Very low55.3Low81 Ų81120 Ų12084%0.83567%0.674SS**  trans-57.783.5170.500000110V265V265-G267 PolarHBondContact O-N 3.06Å
268T33.3Very low54.5Low118 Ų118119.4 Ų119.472%0.72467%0.674SS**  trans-77.2113.8150.7-34.40000103.5P266 S270P266-T268 PolarHBondContact O-N 3.03Å; T268-S270 VanDerWaalsContact C-N 3.25Å; T268-S270 PolarHBondContact O-N 3.25Å
269S39.8Very low54Low120 Ų120121 Ų12184%0.83969%0.685SS**  trans-55.287.3175.651.80000110.3
270S36.8Very low53.7Low99 Ų99118.9 Ų118.969%0.69268%0.678SS**  trans-86.6129.7159.643.40000106.5T268 I272T268-S270 VanDerWaalsContact C-N 3.25Å; T268-S270 PolarHBondContact O-N 3.25Å; S270-I272 PolarHBondContact O-N 3.28Å
271P39.3Very low53.5Low114 Ų114116.6 Ų116.674%0.7466%0.659SS**  trans-59.2136.6175.924.6-30.5000108E273P271-E273 VanDerWaalsContact C-N 3.3Å; P271-E273 PolarHBondContact O-N 3.4Å
272I41.9Very low54.1Low167 Ų167119.4 Ų119.486%0.85666%0.662SS**  trans-53.396.6174.6-63.7165.3000107.5S270S270-I272 PolarHBondContact O-N 3.28Å
273E48.1Very low55.2Low173 Ų173113.9 Ų113.981%0.80864%0.644SS**  trans-65.1125.2166.1-83.9-172.5166.600106.7P271 R275P271-E273 VanDerWaalsContact C-N 3.3Å; P271-E273 PolarHBondContact O-N 3.4Å; E273-R275 PolarHBondContact O-N 3.1Å
274P56.2Low56.3Low62 Ų62112.7 Ų112.740%0.40362%0.623SS.*  trans-63.3131.8176.29.1-3.2000108.2N276P274-N276 PolarHBondContact O-N 2.95Å; P274-N276 PolarHBondContact O-OD1 3.05Å
275R55Low57.8Low259 Ų259109.8 Ų109.898%0.97761%0.608SS**  trans-61.680168.4-92.2-179167.6175.9-3109.3E273E273-R275 PolarHBondContact O-N 3.1Å
276N64.4Low59.7Low56 Ų56108.1 Ų108.130%0.29961%0.607SS.*  trans-72132.7175-68.4-17.5000108.1P274 Q278 L281 Q297P274-N276 PolarHBondContact O-N 2.95Å; P274-N276 PolarHBondContact O-OD1 3.05Å; N276-Q278 PolarHBondContact O-N 2.94Å; N276-L281 HydrophobicContact CB-CD1 4.21Å; N276-Q297 VanDerWaalsContact CG-OE1 3.31Å; N276-Q297 PolarHBondContact OD1-OE1 2.99Å
277N71.4Confident61.3Low92 Ų92110 Ų11049%0.49261%0.611SS.*  trans-70.594.2176.9-171.8-24.5000109.3L279 L280 L281N277-L279 VanDerWaalsContact C-N 3.27Å; N277-L279 PolarHBondContact O-N 3.33Å; N277-L279 PolarHBondContact OD1-N 3.21Å; N277-L280 HydrophobicContact CB-CB 4.04Å; N277-L280 PolarHBondContact O-N 2.77Å; N277-L280 PolarHBondContact OD1-N 2.67Å; N277-L281 PolarHBondContact O-N 2.9Å; N277-L281 VanDerWaalsContact O-N 3.13Å
278Q76.6Confident62.9Low141 Ų141110.8 Ų110.866%0.65960%0.595SS**Hα-helixtrans-65.3-30-174.5-64.4-170.2-0.700112.8N276 L281 K282N276-Q278 PolarHBondContact O-N 2.94Å; Q278-L281 PolarHBondContact O-N 3.24Å; Q278-K282 WeakPolarHBondContact O-CG 3.32Å; Q278-K282 PolarHBondContact O-N 2.76Å
279L76.7Confident64.6Low136 Ų136106.8 Ų106.871%0.71258%0.577SS**Hα-helixtrans-69.4-41.6177.5-68.4171.9000111.1N277 K282 A283N277-L279 VanDerWaalsContact C-N 3.27Å; N277-L279 PolarHBondContact O-N 3.33Å; N277-L279 PolarHBondContact OD1-N 3.21Å; L279-K282 PolarHBondContact O-N 2.76Å; L279-A283 PolarHBondContact O-N 3.28Å
280L76.3Confident65.8Low95 Ų95105.6 Ų105.650%0.49757%0.569SS.*Hα-helixtrans-63.2-43.2174.5-175.367000111.4N277 K282 A283 V284N277-L280 HydrophobicContact CB-CB 4.04Å; N277-L280 PolarHBondContact O-N 2.77Å; N277-L280 PolarHBondContact OD1-N 2.67Å; L280-K282 VanDerWaalsContact C-N 3.34Å; L280-K282 PolarHBondContact O-N 3.34Å; L280-A283 PolarHBondContact O-N 3.09Å; L280-V284 HydrophobicContact CD1-CG2 4.3Å; L280-V284 HydrophobicContact CG-CG2 4.37Å; L280-V284 VanDerWaalsContact O-CG2 3.3Å; L280-V284 WeakPolarHBondContact O-CG2 3.19Å; L280-V284 PolarHBondContact O-N 3.04Å
281L73.1Confident67.1Low28 Ų28104 Ų10415%0.14756%0.557CS.*Hα-helixtrans-59.3-43.4175.8-84.7156.2000112.6N276 N277 Q278 R285 Q297N276-L281 HydrophobicContact CB-CD1 4.21Å; N277-L281 PolarHBondContact O-N 2.9Å; N277-L281 VanDerWaalsContact O-N 3.13Å; Q278-L281 PolarHBondContact O-N 3.24Å; L281-R285 WeakPolarHBondContact O-CG 3.4Å; L281-R285 PolarHBondContact O-N 3.06Å; L281-Q297 HydrophobicContact CD2-CG 4.44Å
282K75.5Confident68.2Low134 Ų134101.9 Ų101.958%0.58354%0.543SS*.Hα-helixtrans-63.5-42177-74.5179.3-179.7-178.10111.7Q278 L279 L280 A286Q278-K282 WeakPolarHBondContact O-CG 3.32Å; Q278-K282 PolarHBondContact O-N 2.76Å; L279-K282 PolarHBondContact O-N 2.76Å; L280-K282 VanDerWaalsContact C-N 3.34Å; L280-K282 PolarHBondContact O-N 3.34Å; K282-A286 PolarHBondContact O-N 3.46Å; K282-A286 VanDerWaalsContact O-N 3.14Å
283A79Confident69.2Low47 Ų4799.4 Ų99.439%0.38853%0.531SS..Hα-helixtrans-66.4-43.9178.200000112.6L279 L280 A286 L287L279-A283 PolarHBondContact O-N 3.28Å; L280-A283 PolarHBondContact O-N 3.09Å; A283-A286 PolarHBondContact O-N 3.45Å; A283-L287 PolarHBondContact O-N 2.88Å; A283-L287 VanDerWaalsContact O-N 3.08Å
284V75.4Confident70Confident41 Ų4195.9 Ų95.925%0.24852%0.517CS..Hα-helixtrans-66.3-39.8179.3176.70000111.3L280 A286 L287 L288 L295L280-V284 HydrophobicContact CD1-CG2 4.3Å; L280-V284 HydrophobicContact CG-CG2 4.37Å; L280-V284 VanDerWaalsContact O-CG2 3.3Å; L280-V284 WeakPolarHBondContact O-CG2 3.19Å; L280-V284 PolarHBondContact O-N 3.04Å; V284-A286 VanDerWaalsContact C-N 3.32Å; V284-A286 PolarHBondContact O-N 3.26Å; V284-L287 PolarHBondContact O-N 3.14Å; V284-L288 HydrophobicContact CG1-CD1 4.07Å; V284-L288 PolarHBondContact O-N 2.73Å; V284-L295 HydrophobicContact CB-CD2 4.25Å; V284-L295 HydrophobicContact CG1-CD2 3.8Å
285R77.8Confident70.4Confident114 Ų11493.2 Ų93.243%0.4350%0.5SS..Hα-helixtrans-60.1-41.3172.6-75.6-178-159.9148.73.6112.4L281 L287 G289 L295L281-R285 WeakPolarHBondContact O-CG 3.4Å; L281-R285 PolarHBondContact O-N 3.06Å; R285-L287 VanDerWaalsContact C-N 3.32Å; R285-L287 PolarHBondContact O-N 2.79Å; R285-G289 WeakPolarHBondContact O-CA 3.39Å; R285-G289 PolarHBondContact O-N 3.36Å; R285-L295 HydrophobicContact CB-CD2 4.3Å; R285-L295 HydrophobicContact CG-CD1 3.83Å; R285-L295 HydrophobicContact CG-CD2 3.37Å; R285-L295 HydrophobicContact CG-CG 4.26Å
286A78.1Confident71.1Confident89 Ų8982.5 Ų82.574%0.73646%0.463SS*.Hα-helixtrans-67.2-32.5179.300000112.8K282 A283 V284K282-A286 PolarHBondContact O-N 3.46Å; K282-A286 VanDerWaalsContact O-N 3.14Å; A283-A286 PolarHBondContact O-N 3.45Å; V284-A286 VanDerWaalsContact C-N 3.32Å; V284-A286 PolarHBondContact O-N 3.26Å
287L75.7Confident71.2Confident145 Ų14583.2 Ų83.276%0.75946%0.464SS*.Hα-helixtrans-88.5-37.9-177.3-82.9154.3000114A283 V284 R285A283-L287 PolarHBondContact O-N 2.88Å; A283-L287 VanDerWaalsContact O-N 3.08Å; V284-L287 PolarHBondContact O-N 3.14Å; R285-L287 VanDerWaalsContact C-N 3.32Å; R285-L287 PolarHBondContact O-N 2.79Å
288L71.1Confident71Confident96 Ų9685.5 Ų85.550%0.50347%0.466SS..Hα-helixtrans-118.14.6-169.1-60.5178.1000113.7V284 L294V284-L288 HydrophobicContact CG1-CD1 4.07Å; V284-L288 PolarHBondContact O-N 2.73Å; L288-L294 HydrophobicContact CB-CD1 4.4Å
289G68.6Low71Confident34 Ų3484.4 Ų84.435%0.35147%0.465SS..THydrogen-bonded Turntrans68.8-170.5-179.300000113.9R285 C291 L295R285-G289 WeakPolarHBondContact O-CA 3.39Å; R285-G289 PolarHBondContact O-N 3.36Å; G289-C291 PolarHBondContact O-N 3.49Å; G289-C291 VanDerWaalsContact O-N 3.17Å; G289-L295 WeakPolarHBondContact O-CD1 3.25Å
290S64.5Low71Confident95 Ų9579.7 Ų79.766%0.66444%0.443SS*.THydrogen-bonded Turntrans-83.326.7-173.5-35.30000114.3P292S290-P292 WeakPolarHBondContact O-CD 3.4Å
291C64.7Low71Confident66 Ų6684.2 Ų84.245%0.44647%0.466SS..  trans-73.1117.5-177.2-74.10000111.3G289 L293 L294 L295G289-C291 PolarHBondContact O-N 3.49Å; G289-C291 VanDerWaalsContact O-N 3.17Å; C291-L293 PolarHBondContact O-N 3.39Å; C291-L293 VanDerWaalsContact O-N 3.15Å; C291-L294 HydrophobicContact CB-CB 4.24Å; C291-L294 HydrophobicContact CB-CD1 4.01Å; C291-L294 HydrophobicContact CB-CG 4.18Å; C291-L294 PolarHBondContact O-N 3.14Å; C291-L295 PolarHBondContact O-N 3.08Å
292P61.6Low71.3Confident69 Ų6990.8 Ų90.845%0.44850%0.496SS..THydrogen-bonded Turntrans-66.5-21.9-170.823.3-32.3000114.1S290S290-P292 WeakPolarHBondContact O-CD 3.4Å
293L63.7Low71.1Confident115 Ų11588 Ų8860%0.60250%0.498SS*.THydrogen-bonded Turntrans-81.6-22.9176-67.6169.9000113.4C291 T296 P307C291-L293 PolarHBondContact O-N 3.39Å; C291-L293 VanDerWaalsContact O-N 3.15Å; L293-T296 WeakPolarHBondContact O-CG2 3.37Å; L293-P307 HydrophobicContact CD2-CG 4.2Å
294L64.1Low70.8Confident99 Ų9989.1 Ų89.152%0.51850%0.502SS..THydrogen-bonded Turntrans-94.3-15.5179-62.6177.7000112.4L288 C291L288-L294 HydrophobicContact CB-CD1 4.4Å; C291-L294 HydrophobicContact CB-CB 4.24Å; C291-L294 HydrophobicContact CB-CD1 4.01Å; C291-L294 HydrophobicContact CB-CG 4.18Å; C291-L294 PolarHBondContact O-N 3.14Å
295L65.9Low70.6Confident7 Ų790.4 Ų90.44%0.03751%0.512CS..SBendtrans-100.234.2-179.4-73.3166.2000113.2V284 R285 G289 C291 T311V284-L295 HydrophobicContact CB-CD2 4.25Å; V284-L295 HydrophobicContact CG1-CD2 3.8Å; R285-L295 HydrophobicContact CB-CD2 4.3Å; R285-L295 HydrophobicContact CG-CD1 3.83Å; R285-L295 HydrophobicContact CG-CD2 3.37Å; R285-L295 HydrophobicContact CG-CG 4.26Å; G289-L295 WeakPolarHBondContact O-CD1 3.25Å; C291-L295 PolarHBondContact O-N 3.08Å; L295-T311 HydrophobicContact CD1-CG2 4.43Å
296T68.1Low70.1Confident33 Ų3388.1 Ų88.120%0.20251%0.51CS..  trans-100.7138.8177.5176.90000112.2L293 R298 P305 V306L293-T296 WeakPolarHBondContact O-CG2 3.37Å; T296-R298 PolarHBondContact OG1-N 2.77Å; T296-R298 VanDerWaalsContact OG1-N 3.07Å; T296-R298 PolarHBondContact OG1-O 3.33Å; T296-P305 HydrophobicContact CG2-CB 3.45Å; T296-P305 VanDerWaalsContact CG2-CB 3.45Å; T296-V306 VanDerWaalsContact CB-O 3.23Å; T296-V306 WeakPolarHBondContact CB-O 3.41Å; T296-V306 PolarHBondContact OG1-O 3.49Å
297Q66.9Low69.4Low71 Ų7187.3 Ų87.333%0.33250%0.497SS..  trans-107.510.2172.4-64.7-172.3-25.600111.8N276 L281N276-Q297 VanDerWaalsContact CG-OE1 3.31Å; N276-Q297 PolarHBondContact OD1-OE1 2.99Å; L281-Q297 HydrophobicContact CD2-CG 4.44Å
298R68.8Low68.7Low140 Ų14081.9 Ų81.953%0.52847%0.472SS..  trans-136130.6-174.8-65.4-175.1-177.11652.8111.1T296 V306T296-R298 PolarHBondContact OG1-N 2.77Å; T296-R298 VanDerWaalsContact OG1-N 3.07Å; T296-R298 PolarHBondContact OG1-O 3.33Å; R298-V306 HydrophobicContact CB-CB 4.46Å; R298-V306 PolarHBondContact O-N 2.97Å
299L75.2Confident67.8Low119 Ų11988.9 Ų88.962%0.62349%0.491SS*.BIsolated β-bridgetrans-106.4147.9170.1-60.8177.5000109.3C304 P305L299-C304 CarbonylContact C-O 3.54Å; L299-C304 WeakPolarHBondContact CA-O 3.34Å; L299-P305 HydrophobicContact CD2-CB 4.19Å; L299-P305 HydrophobicContact CD2-CG 4.43Å
300S76.3Confident67Low36 Ų3693.3 Ų93.325%0.25251%0.507SS..  trans-68163.3165.877.20000109.9Q302 A303 C304S300-Q302 PolarHBondContact O-N 3.43Å; S300-Q302 PolarHBondContact OG-N 3.32Å; S300-A303 WeakPolarHBondContact O-CA 3.48Å; S300-A303 PolarHBondContact O-N 3.25Å; S300-C304 PolarHBondContact N-O 3.4Å; S300-C304 PolarHBondContact OG-N 3.43Å; S300-C304 VanDerWaalsContact OG-N 3.11Å
301L76.3Confident66.2Low190 Ų19091.5 Ų91.5100%0.99549%0.492SS*.THydrogen-bonded Turntrans-60.7-14.5173.2-68.3172.2000113.1
302Q79.9Confident64.8Low167 Ų16797.1 Ų97.178%0.7851%0.514SS*.THydrogen-bonded Turntrans-97.316.1174.2-65.8148.2-18.700112.2S300 C304S300-Q302 PolarHBondContact O-N 3.43Å; S300-Q302 PolarHBondContact OG-N 3.32Å; Q302-C304 VanDerWaalsContact C-N 3.29Å; Q302-C304 PolarHBondContact O-N 2.93Å
303A72.1Confident63.6Low74 Ų7498.5 Ų98.561%0.61253%0.531SS*.SBendtrans63.522179.100000115.9S300S300-A303 WeakPolarHBondContact O-CA 3.48Å; S300-A303 PolarHBondContact O-N 3.25Å
304C73.2Confident62.3Low71 Ų7197.2 Ų97.248%0.4854%0.537SS..PPolyproline II helixtrans-89.4138.3175-63.50000111.4L299 S300 Q302 V306L299-C304 CarbonylContact C-O 3.54Å; L299-C304 WeakPolarHBondContact CA-O 3.34Å; S300-C304 PolarHBondContact N-O 3.4Å; S300-C304 PolarHBondContact OG-N 3.43Å; S300-C304 VanDerWaalsContact OG-N 3.11Å; Q302-C304 VanDerWaalsContact C-N 3.29Å; Q302-C304 PolarHBondContact O-N 2.93Å; C304-V306 PolarHBondContact O-N 3.15Å
305P69.3Low60.9Low69 Ų6999.8 Ų99.845%0.44855%0.552SS.*BIsolated β-bridgetrans-67.7129.6177.8-6.219.1000112.2T296 L299T296-P305 HydrophobicContact CG2-CB 3.45Å; T296-P305 VanDerWaalsContact CG2-CB 3.45Å; L299-P305 HydrophobicContact CD2-CB 4.19Å; L299-P305 HydrophobicContact CD2-CG 4.43Å
306V69.1Low59.2Low66 Ų66104.5 Ų104.540%0.459%0.585SS.*PPolyproline II helixtrans-103.9117.9-179.6-177.40000109.6T296 R298 C304 S308T296-V306 VanDerWaalsContact CB-O 3.23Å; T296-V306 WeakPolarHBondContact CB-O 3.41Å; T296-V306 PolarHBondContact OG1-O 3.49Å; R298-V306 HydrophobicContact CB-CB 4.46Å; R298-V306 PolarHBondContact O-N 2.97Å; C304-V306 PolarHBondContact O-N 3.15Å; V306-S308 PolarHBondContact O-N 2.92Å
307P62.2Low57.6Low72 Ų72110.1 Ų110.147%0.46861%0.614SS.*PPolyproline II helixtrans-59.8131.3-179.8-21.531.3000112.3L293L293-P307 HydrophobicContact CD2-CG 4.2Å
308S60.4Low55.9Low31 Ų31118.7 Ų118.722%0.21764%0.643CS.*PPolyproline II helixtrans-74.6134173.2-71.20000110.2V306 D310 T311V306-S308 PolarHBondContact O-N 2.92Å; S308-D310 PolarHBondContact O-N 2.93Å; S308-T311 PolarHBondContact O-OG1 3.11Å; S308-T311 VanDerWaalsContact O-OG1 3.06Å
309R52.8Low54.1Low242 Ų242120.6 Ų120.691%0.91366%0.658SS**G310 helixtrans-69.4-10.3-177.7-96179.5156.5-177.9-6.7114.7T311R309-T311 PolarHBondContact O-N 3.16Å
310D51.5Low52Low128 Ų128123.4 Ų123.468%0.68467%0.668SS**G310 helixtrans-87.92.3-171.1-54.5-31.8000114.7S308 M312S308-D310 PolarHBondContact O-N 2.93Å; D310-M312 PolarHBondContact O-N 3.26Å
311T47.7Very low49.8Very low57 Ų57131.1 Ų131.135%0.3570%0.7SS.*G310 helixtrans-85.55.3-17724.50000115.7L295 S308 R309L295-T311 HydrophobicContact CD1-CG2 4.43Å; S308-T311 PolarHBondContact O-OG1 3.11Å; S308-T311 VanDerWaalsContact O-OG1 3.06Å; R309-T311 PolarHBondContact O-N 3.16Å
312M35.9Very low47.6Very low183 Ų183131.2 Ų131.290%0.90170%0.695SS**G310 helixtrans-103.70-176.1-75.6-79.5173.300115.1D310D310-M312 PolarHBondContact O-N 3.26Å
313A35.6Very low45.2Very low99 Ų99129.1 Ų129.182%0.81870%0.696SS**SBendtrans-12016.2-168.300000116.1
314A37.2Very low43.2Very low87 Ų87130.6 Ų130.672%0.71971%0.709SS**  trans-144.374.6178.900000111.2
315D34Very low41.1Very low154 Ų154135.1 Ų135.182%0.82473%0.727SS**  trans-165.174.4155.7-97.2-20.7000109.3
316S30.8Very low39.4Very low106 Ų106139.5 Ų139.574%0.74175%0.746SS**SBendtrans-136.979.8153.860.50000106
317D33.9Very low37.5Very low151 Ų151146.1 Ų146.181%0.80777%0.772SS**  trans164.591.6154-82.1-17.9000108.4
318R32Very low35.9Very low250 Ų250150.6 Ų150.694%0.94379%0.792SS**  trans-178.2109.9141.9-99.7160.9-166.9-134.10.7111
319E31.1Very low34.4Very low181 Ų181151.7 Ų151.785%0.84681%0.809SS**  trans-69.6140.4165.3-69.3178.4137.500111.2
320Q31.5Very low33.3Very low177 Ų177152.6 Ų152.683%0.82781%0.812SS**  trans49.9107.7144.2-71.1172.8-12.200120
321E28.5Very low32.2Very low199 Ų199150 Ų15093%0.9382%0.815SS**  -157.3124.7124.6-110.9172.6-178.300109.9
322Q30.7Very low31.4Very low191 Ų191154.4 Ų154.489%0.89384%0.843SS**PPolyproline II helixtrans-79.6146.2179-70.5175.7-8.200111.1
323P30.1Very low31.2Very low124 Ų124155 Ų15581%0.80584%0.84SS**PPolyproline II helixtrans-91.5126.9167.432.6-26.9000111.2
324A29.6Very low31Very low105 Ų105159.1 Ų159.187%0.86884%0.842SS**PPolyproline II helixtrans-78.3128.8170.900000111
325L29.7Very low30.6Very low166 Ų166166.6 Ų166.687%0.86985%0.852SS**PPolyproline II helixtrans-80.4152174.3-87.2161000112.4
326L33.2Very low30.4Very low161 Ų161163 Ų16384%0.84385%0.852SS**  trans-45.5146.4177.2-66.7148000115.7
327Q28.5Very low30.4Very low204 Ų204163 Ų16395%0.95386%0.858SS**  trans-145.9147.5141.8-109.1-179.749.200112
328D29.7Very low30.5Very low166 Ų166163.7 Ų163.789%0.88886%0.861SS**  trans-100.9156.4-159-170.616.7000113
329G29.4Very low30.7Very low55 Ų55161.4 Ų161.457%0.56786%0.861SS**  trans83.4113.1144.600000120.8
330R28.8Very low30.7Very low261 Ų261155.8 Ų155.899%0.98585%0.852SS**  171.7129.7111.5-91.3170.2-170.4-159.53.7110.6
331G28.4Very low30.9Very low72 Ų72160 Ų16074%0.74286%0.86SS**  trans-96.5-176.4-168.200000116.5
332T30.7Very low31Very low151 Ų151154 Ų15493%0.92685%0.852SS**  trans-159.5143.7148.7-20.50000111.2
333K31.1Very low31.4Very low196 Ų196156.7 Ų156.785%0.85285%0.854SS**  trans-62.2151.2177.2-64.8165.9172.6173.70112.9
334Q31.5Very low31.9Very low184 Ų184160.9 Ų160.986%0.8686%0.86SS**  178.4112.4122.9-95.4176.130.800109.2
335R30.2Very low32.4Very low245 Ų245167.6 Ų167.693%0.92586%0.863SS**  79.9113.792.1-143.2-177.7-164.5-172.43.4112.4
336G29.6Very low33Very low79 Ų79171.6 Ų171.681%0.81487%0.866SS**  trans-88.2-176.5-171.600000116.4
337A30.7Very low33.4Very low106 Ų106174.6 Ų174.688%0.87687%0.866SS**  trans-161.5128.8152.500000110.4
338L36.3Very low34Very low165 Ų165172.6 Ų172.686%0.86486%0.862SS**  trans-72.1143.5162.2-76.3137.3000110.6
339Q36.2Very low34.6Very low201 Ų201171.6 Ų171.694%0.93986%0.857SS**  trans-177.6126.9145.8-100.6168.64700105.9
340G31.3Very low35.4Very low64 Ų64179 Ų17966%0.6690%0.897SS**  cis109.5113.823.400000110.1
341R34Very low35.7Very low264 Ų264174.9 Ų174.9100%0.99689%0.893SS**  trans83.5140.9166.3-50.9177178.8-160.6-0.9115.7
342G31.9Very low36.1Very low75 Ų75180.3 Ų180.377%0.77390%0.901SS**  cis-177.3162.3800000111.8
343R39.1Very low36.4Very low247 Ų247181.9 Ų181.993%0.93290%0.9SS**  trans-53.3151.5-175.8-63.7163.3168.2162.8-4.3115.6
344K40.2Very low36.7Very low212 Ų212181.1 Ų181.192%0.92290%0.902SS**  -160.2117.1125-114.6168.6-176.2175.80113.3
345R39.8Very low37Very low246 Ų246180.9 Ų180.993%0.92891%0.905SS**  trans-68.9143.3160.6-77.1174.3165.1174.1-5.5109.4
346R42Very low37.5Very low250 Ų250176.7 Ų176.794%0.94390%0.904SS**  trans-139116.1148.1-97.1-173167.9179.6-4.6109.8
347R42.3Very low38.1Very low223 Ų223183.6 Ų183.684%0.84291%0.91SS**  trans-67.7148.6153.1-97.4176.4167.6169.3-4.9107.6
348N41Very low38.6Very low162 Ų162189.6 Ų189.687%0.86691%0.913SS**  trans-153.9126.7133.9-99-2.8000109.2
349N42.7Very low38.8Very low145 Ų145191.7 Ų191.778%0.77592%0.917SS**  trans-75140.5159.9-69.2-9.5000107.9
350C45.6Very low39.1Very low211 Ų211190.8 Ų190.8100%1.42692%0.915SS**  trans-139.70137.5-83.70000106.3

Retrieved 350 of 350 residues in 422.7 ms (Link to these results)

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