G4VR08_SCHMA Loading...

DNA-directed RNA polymerase I subunit RPA43

AlphaFold DB , UniProt , Accession G4VR08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 334 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
1M86Confident93.5Very high151 Ų15155.1 Ų55.174%0.74434%0.342SS*.  01430-68.5-179.6-178.600107.4V44 V92 I119M1-V44 HydrophobicContact CE-CG1 4.18Å; M1-V92 WeakPolarHBondContact CA-O 3.49Å; M1-I119 HydrophobicContact CE-CD1 4.03Å; M1-I119 HydrophobicContact CE-CG1 3.74Å
2E91Very high93.4Very high79 Ų7950.7 Ų50.737%0.36931%0.314SS..EExtended strand (participates in β ladder)trans-125.8139.1-175.3-71.7158.7-129.900109.8N91 V92 R94E2-N91 WeakPolarHBondContact O-CA 3.4Å; E2-V92 PolarHBondContact N-O 3.38Å; E2-V92 PolarHBondContact O-N 3.14Å; E2-R94 WeakPolarHBondContact OE2-CD 2.92Å; E2-R94 IonicContact OE2-CZ 3.7Å; E2-R94 IonicContact OE2-NE 3.93Å; E2-R94 IonicContact OE2-NH1 2.71Å; E2-R94 PolarHBondContact OE2-NH1 3.42Å
3S94.7Very high93.3Very high92 Ų9255.5 Ų55.564%0.64332%0.324SS*.EExtended strand (participates in β ladder)trans-91.9127.8172.4-160.50000109.5V90S3-V90 CarbonylContact C-O 3.57Å; S3-V90 WeakPolarHBondContact CA-O 3.31Å
4A95.1Very high93Very high24 Ų2456.6 Ų56.620%0.19833%0.334CS..EExtended strand (participates in β ladder)trans-134.1164.7-178.600000110.9K89 V90 V92A4-K89 CarbonylContact O-C 3.56Å; A4-K89 WeakPolarHBondContact O-CA 3.43Å; A4-V90 HydrophobicContact CB-CG2 4.06Å; A4-V90 PolarHBondContact N-O 3.47Å; A4-V90 WeakPolarHBondContact O-CG2 3.41Å; A4-V90 PolarHBondContact O-N 2.71Å; A4-V92 HydrophobicContact CB-CG2 4.41Å
5A95.1Very high92.8Very high59 Ų5962.5 Ų62.549%0.48836%0.364SS..EExtended strand (participates in β ladder)trans-103110.816800000108.9I88A5-I88 CarbonylContact C-O 3.37Å; A5-I88 WeakPolarHBondContact CA-O 3.42Å
6W97.1Very high92.6Very high4 Ų462.4 Ų62.42%0.01536%0.361CS..EExtended strand (participates in β ladder)trans-87.7125.7175.9-174.429.3000109.7F8 Y27 V28 C31 I36 D38 L39 L43 K87 I88 V90W6-F8 HydrophobicContact CD2-CB 4.19Å; W6-F8 HydrophobicContact CD2-CD1 4.12Å; W6-F8 HydrophobicContact CD2-CG 4.45Å; W6-F8 HydrophobicContact CE3-CD1 4.11Å; W6-F8 HydrophobicContact CG-CD1 4.48Å; W6-F8 HydrophobicContact CH2-CB 4.36Å; W6-F8 HydrophobicContact CZ2-CB 3.85Å; W6-F8 HydrophobicContact CZ2-CG 4.5Å; W6-Y27 AromaticContact CH2-CE1 3.69Å; W6-Y27 HydrophobicContact CH2-CE1 3.69Å; W6-Y27 HydrophobicContact CZ2-CE1 4.3Å; W6-Y27 HydrophobicContact CZ3-CE1 4.38Å; W6-V28 HydrophobicContact CZ3-CG1 4.41Å; W6-V28 HydrophobicContact CZ3-CG2 4.2Å; W6-C31 HydrophobicContact CH2-CB 4.06Å; W6-C31 HydrophobicContact CZ3-CB 4.26Å; W6-I36 HydrophobicContact CH2-CD1 4.48Å; W6-I36 HydrophobicContact CH2-CG2 4.46Å; W6-I36 HydrophobicContact CZ2-CG2 3.7Å; W6-D38 PolarHBondContact NE1-OD2 3.1Å; W6-L39 HydrophobicContact CB-CD1 4.13Å; W6-L39 HydrophobicContact CB-CD2 3.86Å; W6-L39 HydrophobicContact CB-CG 4.42Å; W6-L39 HydrophobicContact CD2-CD1 3.96Å; W6-L39 HydrophobicContact CE3-CD1 4.45Å; W6-L39 HydrophobicContact CG-CD1 3.81Å; W6-L39 HydrophobicContact CG-CD2 3.9Å; W6-L39 HydrophobicContact CG-CG 4.01Å; W6-L43 HydrophobicContact CE3-CD2 4.49Å; W6-L43 HydrophobicContact CZ3-CD2 4.06Å; W6-K87 CarbonylContact O-C 3.58Å; W6-K87 VanDerWaalsContact O-CA 3.27Å; W6-K87 WeakPolarHBondContact O-CA 3.43Å; W6-I88 HydrophobicContact CE3-CG2 4.43Å; W6-I88 PolarHBondContact N-O 2.85Å; W6-I88 PolarHBondContact O-N 3.4Å; W6-V90 HydrophobicContact CB-CG1 3.91Å; W6-V90 HydrophobicContact CB-CG2 3.89Å; W6-V90 HydrophobicContact CE3-CG1 4.17Å
7S95.5Very high92.3Very high67 Ų6763.8 Ų63.847%0.46936%0.362SS..EExtended strand (participates in β ladder)trans-100.4131.7166.4-61.80000108.7G86S7-G86 CarbonylContact C-O 3.59Å; S7-G86 WeakPolarHBondContact CA-O 3.47Å
8F94.9Very high91.8Very high8 Ų867.6 Ų67.64%0.03539%0.387CS..EExtended strand (participates in β ladder)trans-143.9161.9-174.461.8-82.4000111.3W6 V10 L24 Y27 V28 L51 H85 G86 I88W6-F8 HydrophobicContact CD2-CB 4.19Å; W6-F8 HydrophobicContact CD2-CD1 4.12Å; W6-F8 HydrophobicContact CD2-CG 4.45Å; W6-F8 HydrophobicContact CE3-CD1 4.11Å; W6-F8 HydrophobicContact CG-CD1 4.48Å; W6-F8 HydrophobicContact CH2-CB 4.36Å; W6-F8 HydrophobicContact CZ2-CB 3.85Å; W6-F8 HydrophobicContact CZ2-CG 4.5Å; F8-V10 HydrophobicContact CD2-CG2 3.52Å; F8-V10 HydrophobicContact CE2-CG2 3.64Å; F8-L24 HydrophobicContact CE2-CD2 4.09Å; F8-Y27 HydrophobicContact CB-CE1 4.31Å; F8-Y27 AromaticContact CD2-CD1 3.67Å; F8-Y27 HydrophobicContact CD2-CD1 3.67Å; F8-Y27 AromaticContact CD2-CE1 3.52Å; F8-Y27 HydrophobicContact CD2-CE1 3.52Å; F8-Y27 AromaticContact CE2-CD1 3.8Å; F8-Y27 HydrophobicContact CE2-CD1 3.8Å; F8-Y27 HydrophobicContact CE2-CE1 4.14Å; F8-Y27 HydrophobicContact CG-CE1 4.15Å; F8-V28 HydrophobicContact CE1-CG2 3.98Å; F8-V28 HydrophobicContact CE2-CG2 3.98Å; F8-V28 HydrophobicContact CZ-CG2 3.57Å; F8-L51 HydrophobicContact CE1-CD1 4.34Å; F8-L51 HydrophobicContact CZ-CD1 3.97Å; F8-H85 CarbonylContact O-C 3.6Å; F8-H85 WeakPolarHBondContact O-CA 3.4Å; F8-G86 WeakPolarHBondContact CD1-O 3.41Å; F8-G86 PolarHBondContact N-O 2.91Å; F8-G86 PolarHBondContact O-N 2.82Å; F8-I88 HydrophobicContact CD1-CG2 4.37Å; F8-I88 HydrophobicContact CE1-CB 4.18Å; F8-I88 HydrophobicContact CE1-CG2 3.72Å
9C93.3Very high91.6Very high49 Ų4968.4 Ų68.433%0.33139%0.387SS..EExtended strand (participates in β ladder)trans-127.2133.3177.7-174.10000110.3V84 H85C9-V84 WeakPolarHBondContact CA-O 3.48Å; C9-H85 PolarHBondContact SG-NE2 3.49Å; C9-H85 VanDerWaalsContact SG-NE2 3.36Å
10V93.1Very high91.5Very high10 Ų1066.3 Ų66.36%0.06137%0.374CS..EExtended strand (participates in β ladder)trans-126.8133.9-176.4-167.80000110.8F8 I12 L24 Y27 V84F8-V10 HydrophobicContact CD2-CG2 3.52Å; F8-V10 HydrophobicContact CE2-CG2 3.64Å; V10-I12 HydrophobicContact CB-CD1 4.06Å; V10-I12 HydrophobicContact CG1-CD1 3.77Å; V10-I12 PolarHBondContact O-N 3.05Å; V10-L24 HydrophobicContact CB-CD2 3.86Å; V10-L24 HydrophobicContact CG2-CD2 3.65Å; V10-Y27 HydrophobicContact CG1-CD2 4.06Å; V10-Y27 HydrophobicContact CG1-CG 4.08Å; V10-Y27 HydrophobicContact CG2-CD1 3.54Å; V10-Y27 HydrophobicContact CG2-CD2 4.11Å; V10-Y27 HydrophobicContact CG2-CE1 3.92Å; V10-Y27 HydrophobicContact CG2-CE2 4.44Å; V10-Y27 HydrophobicContact CG2-CG 3.65Å; V10-V84 PolarHBondContact N-O 2.92Å; V10-V84 PolarHBondContact O-N 3.3Å
11P92.8Very high91.4Very high63 Ų6366.8 Ų66.841%0.40938%0.379SS..EExtended strand (participates in β ladder)trans-74.6118.5166.830.7-32.9000110.4H81P11-H81 HydrophobicContact CB-CB 4.33Å; P11-H81 VanDerWaalsContact CB-CD2 3.41Å; P11-H81 WeakPolarHBondContact CB-CD2 3.47Å
12I92.6Very high91.7Very high2 Ų267.2 Ų67.21%0.0137%0.373CS..EExtended strand (participates in β ladder)trans-110.2117.7179.5-51.8-64.2000108.6V10 N16 F17 L20 L24 H81 L82 V84V10-I12 HydrophobicContact CB-CD1 4.06Å; V10-I12 HydrophobicContact CG1-CD1 3.77Å; V10-I12 PolarHBondContact O-N 3.05Å; I12-N16 HydrophobicContact CG2-CB 3.87Å; I12-F17 HydrophobicContact CG2-CD1 4.01Å; I12-F17 HydrophobicContact CG2-CE1 4.39Å; I12-F17 WeakPolarHBondContact O-CE1 3.35Å; I12-L20 HydrophobicContact CB-CD1 4.36Å; I12-L20 HydrophobicContact CD1-CD1 4.05Å; I12-L20 HydrophobicContact CG1-CD1 3.67Å; I12-L20 HydrophobicContact CG2-CD1 4.07Å; I12-L24 HydrophobicContact CD1-CD2 4.17Å; I12-H81 WeakPolarHBondContact O-CA 3.32Å; I12-L82 PolarHBondContact N-O 2.78Å; I12-L82 PolarHBondContact O-N 3.22Å; I12-V84 HydrophobicContact CB-CG2 4.46Å; I12-V84 HydrophobicContact CG1-CB 4.11Å; I12-V84 HydrophobicContact CG1-CG2 3.85Å
13Y91.5Very high91.8Very high113 Ų11364.1 Ų64.144%0.44336%0.36SS..  trans-80154.5177.8-61.6-78.5000111.9N15 N16 H81Y13-N15 VanDerWaalsContact C-N 3.26Å; Y13-N15 PolarHBondContact O-N 3.32Å; Y13-N15 VanDerWaalsContact O-N 3.08Å; Y13-N16 WeakPolarHBondContact O-CB 3.21Å; Y13-N16 PolarHBondContact O-N 2.83Å; Y13-H81 HydrophobicContact CD1-CB 3.8Å; Y13-H81 HydrophobicContact CE1-CB 3.81Å; Y13-H81 HydrophobicContact CG-CB 4.43Å
14P88.9Confident91.8Very high71 Ų7159.8 Ų59.846%0.46133%0.329SS..G310 helixtrans-50.8-38.3-174.8-31.736.6000115.7N16 F17 N80P14-N16 PolarHBondContact O-N 3.22Å; P14-F17 HydrophobicContact CB-CD2 4.33Å; P14-F17 HydrophobicContact CB-CE2 4Å; P14-F17 HydrophobicContact CB-CZ 4.19Å; P14-F17 HydrophobicContact CG-CE2 4.19Å; P14-F17 HydrophobicContact CG-CZ 4Å; P14-F17 WeakPolarHBondContact O-CG 3.26Å; P14-F17 PolarHBondContact O-N 3.3Å; P14-F17 VanDerWaalsContact O-N 3.11Å; P14-N80 WeakPolarHBondContact CD-O 3.38Å
15N90.6Very high91.8Very high146 Ų14660.5 Ų60.578%0.78133%0.329SS*.G310 helixtrans-57.9-20.4177.4-62.3-0.5000113.8Y13Y13-N15 VanDerWaalsContact C-N 3.26Å; Y13-N15 PolarHBondContact O-N 3.32Å; Y13-N15 VanDerWaalsContact O-N 3.08Å
16N90Very high91.8Very high60 Ų6063.6 Ų63.632%0.32133%0.334SS..G310 helixtrans-104.2-4-177.3-69.6-22.6000113.8I12 Y13 P14 T18 Q19 L20 S23I12-N16 HydrophobicContact CG2-CB 3.87Å; Y13-N16 WeakPolarHBondContact O-CB 3.21Å; Y13-N16 PolarHBondContact O-N 2.83Å; P14-N16 PolarHBondContact O-N 3.22Å; N16-T18 VanDerWaalsContact C-N 3.27Å; N16-T18 PolarHBondContact O-N 3.2Å; N16-Q19 CarbonylContact O-C 3.29Å; N16-Q19 VanDerWaalsContact O-C 3.29Å; N16-Q19 WeakPolarHBondContact O-CA 3.45Å; N16-Q19 PolarHBondContact O-N 2.77Å; N16-L20 PolarHBondContact O-N 2.85Å; N16-L20 VanDerWaalsContact O-N 3.13Å; N16-S23 WeakPolarHBondContact CB-OG 3.29Å
17F86.5Confident91.8Very high87 Ų8766.8 Ų66.838%0.38235%0.346SS..G310 helixtrans-56.7-39-176.3-69.9-11.4000112.8I12 P14 Q19 L82I12-F17 HydrophobicContact CG2-CD1 4.01Å; I12-F17 HydrophobicContact CG2-CE1 4.39Å; I12-F17 WeakPolarHBondContact O-CE1 3.35Å; P14-F17 HydrophobicContact CB-CD2 4.33Å; P14-F17 HydrophobicContact CB-CE2 4Å; P14-F17 HydrophobicContact CB-CZ 4.19Å; P14-F17 HydrophobicContact CG-CE2 4.19Å; P14-F17 HydrophobicContact CG-CZ 4Å; P14-F17 WeakPolarHBondContact O-CG 3.26Å; P14-F17 PolarHBondContact O-N 3.3Å; P14-F17 VanDerWaalsContact O-N 3.11Å; F17-Q19 PolarHBondContact O-N 3.3Å; F17-L82 HydrophobicContact CE1-CB 3.71Å; F17-L82 HydrophobicContact CE1-CD2 4.47Å; F17-L82 HydrophobicContact CZ-CB 4.09Å
18T84.5Confident91.8Very high131 Ų13163.6 Ų63.680%0.80432%0.324SS*.G310 helixtrans-73.2-7.3176.6560000114.3N16N16-T18 VanDerWaalsContact C-N 3.27Å; N16-T18 PolarHBondContact O-N 3.2Å
19Q87.8Confident91.9Very high84 Ų8468 Ų6839%0.39335%0.347SS..G310 helixtrans-12824.5-178-70.6-176.577.400111.9N16 F17 T21 R22 S23N16-Q19 CarbonylContact O-C 3.29Å; N16-Q19 VanDerWaalsContact O-C 3.29Å; N16-Q19 WeakPolarHBondContact O-CA 3.45Å; N16-Q19 PolarHBondContact O-N 2.77Å; F17-Q19 PolarHBondContact O-N 3.3Å; Q19-T21 PolarHBondContact O-N 3.37Å; Q19-R22 HydrophobicContact CB-CB 4.34Å; Q19-R22 WeakPolarHBondContact O-CA 3.24Å; Q19-R22 VanDerWaalsContact O-CB 3.27Å; Q19-R22 WeakPolarHBondContact O-CB 3.27Å; Q19-R22 PolarHBondContact O-N 2.87Å; Q19-S23 PolarHBondContact O-N 2.91Å
20L88.7Confident91.9Very high25 Ų2568.5 Ų68.513%0.13135%0.351CS..Hα-helixtrans-44.9-53.7-172.1176.658000114I12 N16 R22 S23 L24 I53 F73 V84I12-L20 HydrophobicContact CB-CD1 4.36Å; I12-L20 HydrophobicContact CD1-CD1 4.05Å; I12-L20 HydrophobicContact CG1-CD1 3.67Å; I12-L20 HydrophobicContact CG2-CD1 4.07Å; N16-L20 PolarHBondContact O-N 2.85Å; N16-L20 VanDerWaalsContact O-N 3.13Å; L20-R22 VanDerWaalsContact C-N 3.27Å; L20-R22 PolarHBondContact O-N 2.88Å; L20-S23 PolarHBondContact O-N 2.67Å; L20-S23 VanDerWaalsContact O-N 3.09Å; L20-L24 HydrophobicContact CD1-CD1 4.03Å; L20-L24 HydrophobicContact CD1-CG 4.07Å; L20-L24 HydrophobicContact CG-CD1 4.1Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 2.93Å; L20-I53 HydrophobicContact CD2-CD1 3.96Å; L20-I53 HydrophobicContact CD2-CG2 4.49Å; L20-I53 HydrophobicContact CG-CD1 4.09Å; L20-F73 HydrophobicContact CD2-CE1 4.49Å; L20-F73 HydrophobicContact CD2-CE2 3.95Å; L20-F73 HydrophobicContact CD2-CZ 3.63Å; L20-V84 HydrophobicContact CD1-CB 4.17Å; L20-V84 HydrophobicContact CD1-CG1 4.09Å; L20-V84 HydrophobicContact CD1-CG2 3.83Å; L20-V84 HydrophobicContact CD2-CG1 4.32Å; L20-V84 HydrophobicContact CD2-CG2 4.46Å
21T90Very high92Very high78 Ų7868.5 Ų68.548%0.47935%0.351SS..Hα-helixtrans-58.2-37.7179.3-41.90000112.5Q19 L25 L51Q19-T21 PolarHBondContact O-N 3.37Å; T21-L25 HydrophobicContact CG2-CD1 4.36Å; T21-L25 WeakPolarHBondContact O-CB 3.31Å; T21-L25 VanDerWaalsContact O-CG 3.27Å; T21-L25 WeakPolarHBondContact O-CG 3.33Å; T21-L25 PolarHBondContact O-N 3.17Å; T21-L51 HydrophobicContact CG2-CD2 3.89Å
22R92.1Very high92Very high160 Ų16067.3 Ų67.360%0.60434%0.343SS*.Hα-helixtrans-67.9-41.7176.3-175.7-170.7-178.4173.45.1111.1Q19 L20 L25 Q26Q19-R22 HydrophobicContact CB-CB 4.34Å; Q19-R22 WeakPolarHBondContact O-CA 3.24Å; Q19-R22 VanDerWaalsContact O-CB 3.27Å; Q19-R22 WeakPolarHBondContact O-CB 3.27Å; Q19-R22 PolarHBondContact O-N 2.87Å; L20-R22 VanDerWaalsContact C-N 3.27Å; L20-R22 PolarHBondContact O-N 2.88Å; R22-L25 PolarHBondContact O-N 2.87Å; R22-Q26 VanDerWaalsContact O-CB 3.27Å; R22-Q26 WeakPolarHBondContact O-CB 3.3Å; R22-Q26 PolarHBondContact O-N 2.72Å
23S93.4Very high91.9Very high14 Ų1469.2 Ų69.210%0.09835%0.353CS..Hα-helixtrans-67-38.8177.8-62.40000112.4N16 Q19 L20 Q26 Y27N16-S23 WeakPolarHBondContact CB-OG 3.29Å; Q19-S23 PolarHBondContact O-N 2.91Å; L20-S23 PolarHBondContact O-N 2.67Å; L20-S23 VanDerWaalsContact O-N 3.09Å; S23-Q26 PolarHBondContact O-N 2.85Å; S23-Y27 PolarHBondContact O-N 3.46Å
24L94.2Very high91.8Very high0 Ų068.7 Ų68.70%035%0.353CS..Hα-helixtrans-64.4-46.2172.9-66.8173.1000111.6F8 V10 I12 L20 Q26 Y27 V28 L51 I53 V84F8-L24 HydrophobicContact CE2-CD2 4.09Å; V10-L24 HydrophobicContact CB-CD2 3.86Å; V10-L24 HydrophobicContact CG2-CD2 3.65Å; I12-L24 HydrophobicContact CD1-CD2 4.17Å; L20-L24 HydrophobicContact CD1-CD1 4.03Å; L20-L24 HydrophobicContact CD1-CG 4.07Å; L20-L24 HydrophobicContact CG-CD1 4.1Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 2.93Å; L24-Q26 VanDerWaalsContact C-N 3.34Å; L24-Q26 PolarHBondContact O-N 2.93Å; L24-Y27 WeakPolarHBondContact O-CB 3.38Å; L24-Y27 PolarHBondContact O-N 2.95Å; L24-V28 WeakPolarHBondContact O-CG2 3.45Å; L24-V28 PolarHBondContact O-N 2.9Å; L24-L51 HydrophobicContact CB-CD2 4.04Å; L24-I53 HydrophobicContact CD1-CD1 3.77Å; L24-I53 HydrophobicContact CD1-CG1 3.75Å; L24-V84 HydrophobicContact CD1-CG1 4.09Å; L24-V84 HydrophobicContact CD2-CB 4.43Å; L24-V84 HydrophobicContact CD2-CG1 4.33Å
25L95.7Very high91.9Very high39 Ų3967.4 Ų67.420%0.20434%0.34CS..Hα-helixtrans-63.6-38.2174.9-70.6171.5000112.1T21 R22 Y27 V28 I29 F46 A48 L51 I88T21-L25 HydrophobicContact CG2-CD1 4.36Å; T21-L25 WeakPolarHBondContact O-CB 3.31Å; T21-L25 VanDerWaalsContact O-CG 3.27Å; T21-L25 WeakPolarHBondContact O-CG 3.33Å; T21-L25 PolarHBondContact O-N 3.17Å; R22-L25 PolarHBondContact O-N 2.87Å; L25-Y27 VanDerWaalsContact C-N 3.33Å; L25-Y27 PolarHBondContact O-N 3.41Å; L25-V28 PolarHBondContact O-N 2.82Å; L25-I29 WeakPolarHBondContact O-CB 3.48Å; L25-I29 WeakPolarHBondContact O-CD1 3.44Å; L25-I29 WeakPolarHBondContact O-CG1 3.46Å; L25-I29 PolarHBondContact O-N 2.86Å; L25-F46 HydrophobicContact CD2-CE2 4Å; L25-A48 HydrophobicContact CD2-CB 4.01Å; L25-L51 HydrophobicContact CD2-CB 4.48Å; L25-L51 HydrophobicContact CD2-CD2 3.79Å; L25-L51 HydrophobicContact CG-CD2 3.75Å; L25-I88 HydrophobicContact CD2-CD1 4.15Å
26Q95.6Very high91.9Very high124 Ų12461.1 Ų61.158%0.57931%0.306SS*.Hα-helixtrans-65-36.1175.6-176.4174.2-12.200112.2R22 S23 L24 S30R22-Q26 VanDerWaalsContact O-CB 3.27Å; R22-Q26 WeakPolarHBondContact O-CB 3.3Å; R22-Q26 PolarHBondContact O-N 2.72Å; S23-Q26 PolarHBondContact O-N 2.85Å; L24-Q26 VanDerWaalsContact C-N 3.34Å; L24-Q26 PolarHBondContact O-N 2.93Å; Q26-S30 WeakPolarHBondContact O-CB 3.48Å; Q26-S30 PolarHBondContact O-N 3.03Å
27Y95.7Very high91.9Very high72 Ų7262.7 Ų62.728%0.28232%0.32SS..Hα-helixtrans-61.8-51170.3170.4-93.5000111.1W6 F8 V10 S23 L24 L25 I29 S30 C31W6-Y27 AromaticContact CH2-CE1 3.69Å; W6-Y27 HydrophobicContact CH2-CE1 3.69Å; W6-Y27 HydrophobicContact CZ2-CE1 4.3Å; W6-Y27 HydrophobicContact CZ3-CE1 4.38Å; F8-Y27 HydrophobicContact CB-CE1 4.31Å; F8-Y27 AromaticContact CD2-CD1 3.67Å; F8-Y27 HydrophobicContact CD2-CD1 3.67Å; F8-Y27 AromaticContact CD2-CE1 3.52Å; F8-Y27 HydrophobicContact CD2-CE1 3.52Å; F8-Y27 AromaticContact CE2-CD1 3.8Å; F8-Y27 HydrophobicContact CE2-CD1 3.8Å; F8-Y27 HydrophobicContact CE2-CE1 4.14Å; F8-Y27 HydrophobicContact CG-CE1 4.15Å; V10-Y27 HydrophobicContact CG1-CD2 4.06Å; V10-Y27 HydrophobicContact CG1-CG 4.08Å; V10-Y27 HydrophobicContact CG2-CD1 3.54Å; V10-Y27 HydrophobicContact CG2-CD2 4.11Å; V10-Y27 HydrophobicContact CG2-CE1 3.92Å; V10-Y27 HydrophobicContact CG2-CE2 4.44Å; V10-Y27 HydrophobicContact CG2-CG 3.65Å; S23-Y27 PolarHBondContact O-N 3.46Å; L24-Y27 WeakPolarHBondContact O-CB 3.38Å; L24-Y27 PolarHBondContact O-N 2.95Å; L25-Y27 VanDerWaalsContact C-N 3.33Å; L25-Y27 PolarHBondContact O-N 3.41Å; Y27-I29 PolarHBondContact O-N 2.85Å; Y27-S30 WeakPolarHBondContact O-CA 3.36Å; Y27-S30 WeakPolarHBondContact O-CB 3.39Å; Y27-S30 PolarHBondContact O-N 2.93Å; Y27-S30 PolarHBondContact O-OG 2.87Å; Y27-C31 PolarHBondContact O-N 2.88Å
28V96.5Very high92.1Very high0 Ų063.9 Ų63.90%033%0.33CS..Hα-helixtrans-60.1-43.1178.5177.60000111.6W6 F8 L24 L25 S30 C31 V32 L43 F46 I88W6-V28 HydrophobicContact CZ3-CG1 4.41Å; W6-V28 HydrophobicContact CZ3-CG2 4.2Å; F8-V28 HydrophobicContact CE1-CG2 3.98Å; F8-V28 HydrophobicContact CE2-CG2 3.98Å; F8-V28 HydrophobicContact CZ-CG2 3.57Å; L24-V28 WeakPolarHBondContact O-CG2 3.45Å; L24-V28 PolarHBondContact O-N 2.9Å; L25-V28 PolarHBondContact O-N 2.82Å; V28-S30 VanDerWaalsContact C-N 3.26Å; V28-S30 PolarHBondContact O-N 2.83Å; V28-C31 WeakPolarHBondContact O-CA 3.42Å; V28-C31 WeakPolarHBondContact O-CB 3.34Å; V28-C31 PolarHBondContact O-N 3.31Å; V28-V32 PolarHBondContact O-N 3.36Å; V28-L43 HydrophobicContact CG1-CD2 4.18Å; V28-F46 HydrophobicContact CG1-CB 4.06Å; V28-F46 HydrophobicContact CG1-CD1 3.68Å; V28-F46 HydrophobicContact CG1-CD2 3.9Å; V28-F46 HydrophobicContact CG1-CE1 4.12Å; V28-F46 HydrophobicContact CG1-CE2 4.32Å; V28-F46 HydrophobicContact CG1-CG 3.58Å; V28-F46 HydrophobicContact CG1-CZ 4.43Å; V28-I88 HydrophobicContact CG1-CD1 4.47Å; V28-I88 HydrophobicContact CG2-CG2 4.39Å
29I96.5Very high92.5Very high101 Ų10158 Ų5852%0.51829%0.294SS..Hα-helixtrans-57.5-40173.3-70.4163.5000111L25 Y27 C31 V32 F46L25-I29 WeakPolarHBondContact O-CB 3.48Å; L25-I29 WeakPolarHBondContact O-CD1 3.44Å; L25-I29 WeakPolarHBondContact O-CG1 3.46Å; L25-I29 PolarHBondContact O-N 2.86Å; Y27-I29 PolarHBondContact O-N 2.85Å; I29-C31 PolarHBondContact O-N 2.92Å; I29-V32 PolarHBondContact O-N 2.68Å; I29-F46 HydrophobicContact CD1-CZ 4.26Å; I29-F46 HydrophobicContact CG1-CE1 3.82Å; I29-F46 HydrophobicContact CG1-CZ 3.48Å; I29-F46 VanDerWaalsContact CG1-CZ 3.48Å
30S94.3Very high92.6Very high58 Ų5861 Ų6141%0.40631%0.308SS..Hα-helixtrans-68.3-14.6177.685.80000113.9Q26 Y27 V28 K34Q26-S30 WeakPolarHBondContact O-CB 3.48Å; Q26-S30 PolarHBondContact O-N 3.03Å; Y27-S30 WeakPolarHBondContact O-CA 3.36Å; Y27-S30 WeakPolarHBondContact O-CB 3.39Å; Y27-S30 PolarHBondContact O-N 2.93Å; Y27-S30 PolarHBondContact O-OG 2.87Å; V28-S30 VanDerWaalsContact C-N 3.26Å; V28-S30 PolarHBondContact O-N 2.83Å; S30-K34 WeakPolarHBondContact O-CD 3.46Å; S30-K34 WeakPolarHBondContact O-CE 3.35Å; S30-K34 PolarHBondContact O-NZ 3.29Å
31C93.7Very high92.7Very high11 Ų1159.8 Ų59.87%0.07430%0.301CS..Hα-helixtrans-93.5-12.7176.4-71.20000113.4W6 Y27 V28 I29 K34 I36 L43W6-C31 HydrophobicContact CH2-CB 4.06Å; W6-C31 HydrophobicContact CZ3-CB 4.26Å; Y27-C31 PolarHBondContact O-N 2.88Å; V28-C31 WeakPolarHBondContact O-CA 3.42Å; V28-C31 WeakPolarHBondContact O-CB 3.34Å; V28-C31 PolarHBondContact O-N 3.31Å; I29-C31 PolarHBondContact O-N 2.92Å; C31-K34 WeakPolarHBondContact O-CB 3.48Å; C31-K34 PolarHBondContact O-N 3.47Å; C31-I36 HydrophobicContact CB-CD1 3.79Å; C31-L43 HydrophobicContact CB-CD2 3.75Å
32V93.6Very high92.8Very high37 Ų3756.1 Ų56.122%0.22428%0.279CS..THydrogen-bonded Turntrans-64.3140.6179.2177.60000111V28 I29 K34 L43 V44 F46V28-V32 PolarHBondContact O-N 3.36Å; I29-V32 PolarHBondContact O-N 2.68Å; V32-K34 PolarHBondContact O-N 3.4Å; V32-L43 HydrophobicContact CG2-CD2 4.2Å; V32-L43 HydrophobicContact CG2-CG 4.33Å; V32-V44 WeakPolarHBondContact CG1-O 3.43Å; V32-F46 HydrophobicContact CG2-CD1 3.85Å; V32-F46 HydrophobicContact CG2-CE1 3.83Å
33N90Very high92.9Very high42 Ų4248.5 Ų48.523%0.22525%0.25CS..THydrogen-bonded Turntrans56.931.8-172.4-56.3-52.1000114L43 N121N33-L43 PolarHBondContact N-O 3.02Å; N33-N121 HydrophobicContact CB-CB 4.45Å; N33-N121 WeakPolarHBondContact CB-ND2 3.43Å; N33-N121 PolarHBondContact O-ND2 3Å
34K90.1Very high92.9Very high102 Ų10249.2 Ų49.244%0.44325%0.254SS..SBendtrans-126.1152.6169.8-60.2178.3-178167.70110.6S30 C31 V32 V42 L43S30-K34 WeakPolarHBondContact O-CD 3.46Å; S30-K34 WeakPolarHBondContact O-CE 3.35Å; S30-K34 PolarHBondContact O-NZ 3.29Å; C31-K34 WeakPolarHBondContact O-CB 3.48Å; C31-K34 PolarHBondContact O-N 3.47Å; V32-K34 PolarHBondContact O-N 3.4Å; K34-V42 WeakPolarHBondContact O-CA 3.32Å; K34-L43 PolarHBondContact O-N 3.16Å
35F90.1Very high93Very high44 Ų4453.3 Ų53.319%0.19328%0.276CS..EExtended strand (participates in β ladder)trans-71.6132.3169.4-173.9-90.3000110.2P37 G41 N159F35-P37 HydrophobicContact CE1-CG 4.5Å; F35-G41 WeakPolarHBondContact CA-O 3.48Å; F35-N159 HydrophobicContact CE1-CB 4.25Å; F35-N159 HydrophobicContact CE2-CB 4.19Å; F35-N159 HydrophobicContact CZ-CB 4.05Å
36I91.2Very high93.1Very high14 Ų1453 Ų537%0.07227%0.273CS..EExtended strand (participates in β ladder)trans-119.2115.1179.6-56.7-59.9000108.1W6 C31 D38 L39 E40 G41 L43W6-I36 HydrophobicContact CH2-CD1 4.48Å; W6-I36 HydrophobicContact CH2-CG2 4.46Å; W6-I36 HydrophobicContact CZ2-CG2 3.7Å; C31-I36 HydrophobicContact CB-CD1 3.79Å; I36-D38 HydrophobicContact CG2-CB 4.4Å; I36-D38 PolarHBondContact O-N 3.33Å; I36-L39 HydrophobicContact CB-CB 4.24Å; I36-L39 HydrophobicContact CB-CD1 4.11Å; I36-L39 HydrophobicContact CB-CG 4.34Å; I36-L39 HydrophobicContact CG1-CD1 4.49Å; I36-L39 HydrophobicContact CG2-CB 4.3Å; I36-L39 HydrophobicContact CG2-CD1 4Å; I36-L39 HydrophobicContact CG2-CG 4Å; I36-L39 PolarHBondContact O-N 3Å; I36-L39 VanDerWaalsContact O-N 3.08Å; I36-E40 PolarHBondContact O-N 3.44Å; I36-G41 PolarHBondContact N-O 3.2Å; I36-L43 HydrophobicContact CG1-CB 4.11Å
37P89.6Confident93.1Very high93 Ų9350.4 Ų50.460%0.60426%0.263SS*.G310 helixtrans-54.3-47.2-177.8-2936.7000113.5F35 L39 E40F35-P37 HydrophobicContact CE1-CG 4.5Å; P37-L39 PolarHBondContact O-N 3.46Å; P37-E40 PolarHBondContact O-N 2.8Å
38D91.8Very high93Very high112 Ų11249.4 Ų49.460%0.59927%0.269SS*.G310 helixtrans-58.7-15.7179.7-31.7-24.7000114.3W6 I36W6-D38 PolarHBondContact NE1-OD2 3.1Å; I36-D38 HydrophobicContact CG2-CB 4.4Å; I36-D38 PolarHBondContact O-N 3.33Å
39L92.3Very high92.9Very high8 Ų858.9 Ų58.94%0.04231%0.311CS..G310 helixtrans-112.3-6.2-179.2-63.9176.8000113W6 I36 P37 G41 V90 V92 R94W6-L39 HydrophobicContact CB-CD1 4.13Å; W6-L39 HydrophobicContact CB-CD2 3.86Å; W6-L39 HydrophobicContact CB-CG 4.42Å; W6-L39 HydrophobicContact CD2-CD1 3.96Å; W6-L39 HydrophobicContact CE3-CD1 4.45Å; W6-L39 HydrophobicContact CG-CD1 3.81Å; W6-L39 HydrophobicContact CG-CD2 3.9Å; W6-L39 HydrophobicContact CG-CG 4.01Å; I36-L39 HydrophobicContact CB-CB 4.24Å; I36-L39 HydrophobicContact CB-CD1 4.11Å; I36-L39 HydrophobicContact CB-CG 4.34Å; I36-L39 HydrophobicContact CG1-CD1 4.49Å; I36-L39 HydrophobicContact CG2-CB 4.3Å; I36-L39 HydrophobicContact CG2-CD1 4Å; I36-L39 HydrophobicContact CG2-CG 4Å; I36-L39 PolarHBondContact O-N 3Å; I36-L39 VanDerWaalsContact O-N 3.08Å; P37-L39 PolarHBondContact O-N 3.46Å; L39-G41 PolarHBondContact O-N 2.9Å; L39-V90 HydrophobicContact CD1-CG2 4.1Å; L39-V90 HydrophobicContact CD2-CG2 4.29Å; L39-V92 HydrophobicContact CB-CG1 4.24Å; L39-V92 HydrophobicContact CB-CG2 4.4Å; L39-V92 HydrophobicContact CD1-CG2 4.03Å; L39-V92 HydrophobicContact CD2-CG2 4.49Å; L39-R94 PolarHBondContact O-NE 3.43Å; L39-R94 PolarHBondContact O-NH2 2.87Å; L39-R94 VanDerWaalsContact O-NH2 3.14Å
40E90.1Very high92.7Very high146 Ų14655 Ų5568%0.68229%0.292SS*.THydrogen-bonded Turntrans51.432.2-174.4-58.2-174.1156.900113.6I36 P37I36-E40 PolarHBondContact O-N 3.44Å; P37-E40 PolarHBondContact O-N 2.8Å
41G90.7Very high92.6Very high0 Ų053.5 Ų53.50%028%0.28CS..EExtended strand (participates in β ladder)trans-171.1180-17300000114.7F35 I36 L39 F93F35-G41 WeakPolarHBondContact CA-O 3.48Å; I36-G41 PolarHBondContact N-O 3.2Å; L39-G41 PolarHBondContact O-N 2.9Å; G41-F93 CarbonylContact C-O 3.47Å; G41-F93 VanDerWaalsContact CA-O 3.23Å; G41-F93 WeakPolarHBondContact CA-O 3.36Å
42V91.7Very high92.5Very high1 Ų158.9 Ų58.91%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-85.6127.6177.2178.70000110K34 V44 V92 F93 I119 V122 P164K34-V42 WeakPolarHBondContact O-CA 3.32Å; V42-V44 PolarHBondContact O-N 2.85Å; V42-V92 WeakPolarHBondContact O-CA 3.4Å; V42-F93 HydrophobicContact CB-CB 4.49Å; V42-F93 PolarHBondContact N-O 3.26Å; V42-F93 PolarHBondContact O-N 3.06Å; V42-I119 HydrophobicContact CG1-CG2 4.4Å; V42-V122 HydrophobicContact CB-CG2 4.43Å; V42-V122 HydrophobicContact CG1-CG2 4.4Å; V42-V122 HydrophobicContact CG2-CG2 3.94Å; V42-P164 HydrophobicContact CG2-CG 3.69Å
43L94.3Very high92.2Very high0 Ų059.7 Ų59.70%031%0.306CS..EExtended strand (participates in β ladder)trans-71.8112170.1176.260.3000109.2W6 V28 C31 V32 N33 K34 I36 D45 V90W6-L43 HydrophobicContact CE3-CD2 4.49Å; W6-L43 HydrophobicContact CZ3-CD2 4.06Å; V28-L43 HydrophobicContact CG1-CD2 4.18Å; C31-L43 HydrophobicContact CB-CD2 3.75Å; V32-L43 HydrophobicContact CG2-CD2 4.2Å; V32-L43 HydrophobicContact CG2-CG 4.33Å; N33-L43 PolarHBondContact N-O 3.02Å; K34-L43 PolarHBondContact O-N 3.16Å; I36-L43 HydrophobicContact CG1-CB 4.11Å; L43-D45 WeakPolarHBondContact CD1-O 3.43Å; L43-V90 HydrophobicContact CD1-CB 3.56Å; L43-V90 HydrophobicContact CD1-CG1 3.54Å
44V94.3Very high91.9Very high30 Ų3061.7 Ų61.718%0.18232%0.316CS..EExtended strand (participates in β ladder)trans-91.7-43.9-178-174.60000111.1M1 V32 V42 N91 F93 I119M1-V44 HydrophobicContact CE-CG1 4.18Å; V32-V44 WeakPolarHBondContact CG1-O 3.43Å; V42-V44 PolarHBondContact O-N 2.85Å; V44-N91 WeakPolarHBondContact CB-O 3.35Å; V44-N91 PolarHBondContact N-O 2.89Å; V44-F93 HydrophobicContact CG2-CB 3.83Å; V44-I119 HydrophobicContact CG2-CD1 4.49Å; V44-I119 HydrophobicContact CG2-CG1 4.38Å; V44-I119 HydrophobicContact CG2-CG2 4.02Å
45D95.5Very high91.3Very high85 Ų8559 Ų5946%0.45531%0.308SS..EExtended strand (participates in β ladder)trans-160.4167-173176.242.9000110.8L43 N91L43-D45 WeakPolarHBondContact CD1-O 3.43Å; D45-N91 HydrophobicContact CB-CB 4.15Å; D45-N91 PolarHBondContact N-O 2.85Å; D45-N91 PolarHBondContact O-N 2.87Å; D45-N91 PolarHBondContact OD2-ND2 3.25Å; D45-N91 VanDerWaalsContact OD2-ND2 3.12Å
46F96.9Very high90.2Very high34 Ų3463.7 Ų63.715%0.14933%0.331CS..EExtended strand (participates in β ladder)trans-152.3144.3-17865.5-85.1000113.2L25 V28 I29 V32 A48 I88 K89 V90L25-F46 HydrophobicContact CD2-CE2 4Å; V28-F46 HydrophobicContact CG1-CB 4.06Å; V28-F46 HydrophobicContact CG1-CD1 3.68Å; V28-F46 HydrophobicContact CG1-CD2 3.9Å; V28-F46 HydrophobicContact CG1-CE1 4.12Å; V28-F46 HydrophobicContact CG1-CE2 4.32Å; V28-F46 HydrophobicContact CG1-CG 3.58Å; V28-F46 HydrophobicContact CG1-CZ 4.43Å; I29-F46 HydrophobicContact CD1-CZ 4.26Å; I29-F46 HydrophobicContact CG1-CE1 3.82Å; I29-F46 HydrophobicContact CG1-CZ 3.48Å; I29-F46 VanDerWaalsContact CG1-CZ 3.48Å; V32-F46 HydrophobicContact CG2-CD1 3.85Å; V32-F46 HydrophobicContact CG2-CE1 3.83Å; F46-A48 HydrophobicContact CD2-CB 4.32Å; F46-A48 HydrophobicContact CE2-CB 3.89Å; F46-A48 PolarHBondContact O-N 2.83Å; F46-I88 HydrophobicContact CB-CD1 4.39Å; F46-I88 HydrophobicContact CD2-CD1 3.68Å; F46-I88 HydrophobicContact CE2-CD1 4.48Å; F46-I88 HydrophobicContact CG-CD1 4.4Å; F46-K89 WeakPolarHBondContact CA-O 3.38Å; F46-V90 HydrophobicContact CB-CG1 4.2Å
47D96.3Very high88.8Confident69 Ų6965.5 Ų65.537%0.36934%0.342SS..  trans-8398172.9175.812.5000110.3K49 S50 I88 K89D47-K49 PolarHBondContact O-N 3.39Å; D47-K49 VanDerWaalsContact O-N 3.08Å; D47-K49 VanDerWaalsContact OD1-CB 3.31Å; D47-K49 WeakPolarHBondContact OD1-CB 3.48Å; D47-K49 PolarHBondContact OD1-N 3.23Å; D47-S50 WeakPolarHBondContact O-CB 3.18Å; D47-S50 PolarHBondContact O-N 2.85Å; D47-S50 PolarHBondContact O-OG 2.83Å; D47-S50 WeakPolarHBondContact OD2-CB 3.21Å; D47-I88 WeakPolarHBondContact O-CG1 3.41Å; D47-K89 HydrophobicContact CB-CB 4.34Å; D47-K89 PolarHBondContact N-O 2.9Å
48A94.3Very high87.1Confident50 Ų5067 Ų6741%0.41335%0.346SS..G310 helixtrans-54.5-25176.500000114.4L25 F46 S50L25-A48 HydrophobicContact CD2-CB 4.01Å; F46-A48 HydrophobicContact CD2-CB 4.32Å; F46-A48 HydrophobicContact CE2-CB 3.89Å; F46-A48 PolarHBondContact O-N 2.83Å; A48-S50 VanDerWaalsContact C-N 3.35Å
49K93.3Very high85.4Confident199 Ų19964.3 Ų64.387%0.86533%0.327SS*.G310 helixtrans-81.7-15.9178.2-57.6173.7-176.7169.90112.7D47 L51D47-K49 PolarHBondContact O-N 3.39Å; D47-K49 VanDerWaalsContact O-N 3.08Å; D47-K49 VanDerWaalsContact OD1-CB 3.31Å; D47-K49 WeakPolarHBondContact OD1-CB 3.48Å; D47-K49 PolarHBondContact OD1-N 3.23Å; K49-L51 VanDerWaalsContact C-N 3.34Å
50S93.3Very high83.5Confident19 Ų1968.5 Ų68.513%0.13336%0.357CS..G310 helixtrans-86.4-1.2178.373.70000114.2D47 A48 Q52 I88 K89D47-S50 WeakPolarHBondContact O-CB 3.18Å; D47-S50 PolarHBondContact O-N 2.85Å; D47-S50 PolarHBondContact O-OG 2.83Å; D47-S50 WeakPolarHBondContact OD2-CB 3.21Å; A48-S50 VanDerWaalsContact C-N 3.35Å; S50-Q52 PolarHBondContact O-N 3.15Å; S50-Q52 VanDerWaalsContact O-N 3.1Å; S50-I88 WeakPolarHBondContact OG-CG1 3.5Å; S50-K89 WeakPolarHBondContact OG-CB 3.45Å; S50-K89 PolarHBondContact OG-N 2.84Å
51L92.9Very high81.5Confident27 Ų2768.7 Ų68.714%0.14136%0.363CS..  trans-64.4110.9-178.9177.359000111F8 T21 L24 L25 K49 K87 I88F8-L51 HydrophobicContact CE1-CD1 4.34Å; F8-L51 HydrophobicContact CZ-CD1 3.97Å; T21-L51 HydrophobicContact CG2-CD2 3.89Å; L24-L51 HydrophobicContact CB-CD2 4.04Å; L25-L51 HydrophobicContact CD2-CB 4.48Å; L25-L51 HydrophobicContact CD2-CD2 3.79Å; L25-L51 HydrophobicContact CG-CD2 3.75Å; K49-L51 VanDerWaalsContact C-N 3.34Å; L51-K87 WeakPolarHBondContact CA-O 3.42Å; L51-I88 HydrophobicContact CB-CD1 4.01Å; L51-I88 HydrophobicContact CB-CG1 4.2Å; L51-I88 HydrophobicContact CD1-CB 4.27Å; L51-I88 HydrophobicContact CD1-CD1 4.41Å
52Q89.9Confident79.7Confident124 Ų12477.1 Ų77.158%0.57940%0.395SS*.EExtended strand (participates in β ladder)trans-100.4134.9169.7-66.2173.1-15.400108.5S50 G86 K87S50-Q52 PolarHBondContact O-N 3.15Å; S50-Q52 VanDerWaalsContact O-N 3.1Å; Q52-G86 CarbonylContact O-C 3.58Å; Q52-G86 WeakPolarHBondContact O-CA 3.5Å; Q52-K87 HydrophobicContact CB-CB 4.43Å; Q52-K87 PolarHBondContact N-O 2.82Å; Q52-K87 PolarHBondContact O-N 3.49Å
53I89Confident77.7Confident55 Ų5588.5 Ų88.528%0.28244%0.439SS..EExtended strand (participates in β ladder)trans-99.9127.3171.4-56.9178.8000106.8L20 L24 F73 V84L20-I53 HydrophobicContact CD2-CD1 3.96Å; L20-I53 HydrophobicContact CD2-CG2 4.49Å; L20-I53 HydrophobicContact CG-CD1 4.09Å; L24-I53 HydrophobicContact CD1-CD1 3.77Å; L24-I53 HydrophobicContact CD1-CG1 3.75Å; I53-F73 HydrophobicContact CG2-CE1 3.75Å; I53-F73 HydrophobicContact CG2-CZ 3.83Å; I53-V84 HydrophobicContact CG2-CG1 3.65Å
54I83.5Confident75.7Confident83 Ų8390.5 Ų90.543%0.42645%0.452SS..EExtended strand (participates in β ladder)trans-91.8115.6-179.6-56.2175.4000107.6H85 K87I54-H85 HydrophobicContact CB-CB 4.01Å; I54-H85 HydrophobicContact CD1-CB 4.47Å; I54-H85 PolarHBondContact N-O 3.31Å; I54-K87 HydrophobicContact CD1-CB 4.29Å
55T77.1Confident73.6Confident45 Ų4593.8 Ų93.828%0.27647%0.473SS..  trans-100.7143170.149.90000109.8V57 F73T55-V57 PolarHBondContact O-N 3.45Å; T55-V57 PolarHBondContact OG1-O 3.35Å; T55-V57 VanDerWaalsContact OG1-O 3.06Å; T55-F73 HydrophobicContact CG2-CD1 4.15Å; T55-F73 HydrophobicContact CG2-CE1 3.65Å; T55-F73 HydrophobicContact CG2-CZ 3.85Å
56E66Low71.1Confident143 Ų14397.5 Ų97.567%0.66849%0.493SS*.SBendtrans-71.8-21.7176.7-61.9167.5147.500112.2L74E56-L74 WeakPolarHBondContact OE2-CB 3.28Å
57V63.3Low68.7Low52 Ų5299.9 Ų99.932%0.31553%0.527SS..SBendtrans-92.9120.2175-176.90000108.8T55 Y59 L72T55-V57 PolarHBondContact O-N 3.45Å; T55-V57 PolarHBondContact OG1-O 3.35Å; T55-V57 VanDerWaalsContact OG1-O 3.06Å; V57-Y59 HydrophobicContact CB-CE2 4.41Å; V57-Y59 HydrophobicContact CG1-CD2 4.5Å; V57-Y59 HydrophobicContact CG1-CE2 4.43Å; V57-Y59 WeakPolarHBondContact O-CD2 3.48Å; V57-L72 HydrophobicContact CB-CB 4.44Å; V57-L72 HydrophobicContact CG2-CB 4.09Å
58D53.9Low66.5Low126 Ų126104.3 Ų104.367%0.67454%0.543SS*.  trans-73.2134.6162.6-17619.3000109.5S60D58-S60 PolarHBondContact OD1-N 2.85Å; D58-S60 WeakPolarHBondContact OD2-CB 3.28Å; D58-S60 PolarHBondContact OD2-OG 3.27Å
59Y54.2Low64.7Low54 Ų54109.3 Ų109.321%0.21257%0.569CS.*  trans-101.24.3-172.3-92.6-84000113.9V57 D61 R62 V64 C70 L72V57-Y59 HydrophobicContact CB-CE2 4.41Å; V57-Y59 HydrophobicContact CG1-CD2 4.5Å; V57-Y59 HydrophobicContact CG1-CE2 4.43Å; V57-Y59 WeakPolarHBondContact O-CD2 3.48Å; Y59-D61 PolarHBondContact O-N 2.9Å; Y59-R62 PolarHBondContact O-N 3.16Å; Y59-V64 HydrophobicContact CD1-CG2 3.57Å; Y59-V64 HydrophobicContact CE1-CG2 3.72Å; Y59-C70 PolarHBondContact OH-O 3.5Å; Y59-L72 HydrophobicContact CE2-CB 4.34Å; Y59-L72 WeakPolarHBondContact OH-CB 3.43Å; Y59-L72 WeakPolarHBondContact OH-CD1 2.97Å; Y59-L72 WeakPolarHBondContact OH-CG 3.36Å; Y59-L72 PolarHBondContact OH-N 3.12Å
60S53.3Low63.1Low97 Ų97103.5 Ų103.568%0.67855%0.553SS**THydrogen-bonded Turntrans-48.2-27.5175.849.60000114.8D58D58-S60 PolarHBondContact OD1-N 2.85Å; D58-S60 WeakPolarHBondContact OD2-CB 3.28Å; D58-S60 PolarHBondContact OD2-OG 3.27Å
61D48.5Very low61.8Low150 Ų150104 Ų10480%0.80256%0.561SS**THydrogen-bonded Turntrans-118.117.6-171-157.733.3000115.4Y59Y59-D61 PolarHBondContact O-N 2.9Å
62R52.9Low60.8Low177 Ų177106.9 Ų106.967%0.66858%0.576SS**SBendtrans-134131.5179.6-64.9-169.9-177.1-161.71.1114.8Y59 V64Y59-R62 PolarHBondContact O-N 3.16Å; R62-V64 PolarHBondContact O-N 2.86Å
63Y48.7Very low60.2Low239 Ų239103.4 Ų103.494%0.93756%0.559SS**  trans-65.886.3174.8-109-97000111.7
64V52.5Low59.5Low43 Ų43105.6 Ų105.626%0.26157%0.571SS.*  trans-73129.2167.3-174.10000108.7Y59 R62 N66 F68 C70Y59-V64 HydrophobicContact CD1-CG2 3.57Å; Y59-V64 HydrophobicContact CE1-CG2 3.72Å; R62-V64 PolarHBondContact O-N 2.86Å; V64-N66 PolarHBondContact O-N 3.12Å; V64-F68 WeakPolarHBondContact CG1-O 3.18Å; V64-C70 HydrophobicContact CG1-CB 4.18Å
65P51.2Low59.3Low98 Ų98106.2 Ų106.264%0.63657%0.574SS**  trans-57.4121.7178.9-27.336000112.5G67 F68P65-G67 PolarHBondContact O-N 3.19Å; P65-G67 VanDerWaalsContact O-N 3.15Å; P65-F68 PolarHBondContact O-N 3.37Å
66N41.7Very low59.4Low164 Ų164108.2 Ų108.288%0.87758%0.58SS**THydrogen-bonded Turntrans-45.4117-173.4-71.1-16.1000113V64V64-N66 PolarHBondContact O-N 3.12Å
67G46.6Very low60.1Low83 Ų83107.6 Ų107.686%0.85659%0.589SS**THydrogen-bonded Turntrans113.2-14.5174.300000115.5P65P65-G67 PolarHBondContact O-N 3.19Å; P65-G67 VanDerWaalsContact O-N 3.15Å
68F49.8Very low61.2Low162 Ų162113.8 Ų113.871%0.71161%0.614SS**  trans-107.3116.7174.7-71.3-86.9000111.6V64 P65 C70V64-F68 WeakPolarHBondContact CG1-O 3.18Å; P65-F68 PolarHBondContact O-N 3.37Å; F68-C70 PolarHBondContact O-N 3.34Å
69T58.2Low62.7Low155 Ų155110 Ų11095%0.95159%0.594SS**  trans-74.281.2163.549.40000109.3
70C58.4Low64.2Low77 Ų77113 Ų11352%0.5261%0.613SS.*  trans-85.1125174.2-171.50000109.7Y59 V64 F68Y59-C70 PolarHBondContact OH-O 3.5Å; V64-C70 HydrophobicContact CG1-CB 4.18Å; F68-C70 PolarHBondContact O-N 3.34Å
71G65.7Low65.9Low31 Ų31109.8 Ų109.832%0.3259%0.587SS.*  trans-106.4133.6170.200000110.7F73G71-F73 VanDerWaalsContact O-CD2 3.28Å; G71-F73 WeakPolarHBondContact O-CD2 3.45Å; G71-F73 VanDerWaalsContact O-CE2 3.29Å; G71-F73 WeakPolarHBondContact O-CE2 3.32Å
72L71.9Confident67.8Low86 Ų86103.2 Ų103.245%0.4555%0.552SS.*  trans-88.9135.8166.1-85.7164.7000108.4V57 Y59V57-L72 HydrophobicContact CB-CB 4.44Å; V57-L72 HydrophobicContact CG2-CB 4.09Å; Y59-L72 HydrophobicContact CE2-CB 4.34Å; Y59-L72 WeakPolarHBondContact OH-CB 3.43Å; Y59-L72 WeakPolarHBondContact OH-CD1 2.97Å; Y59-L72 WeakPolarHBondContact OH-CG 3.36Å; Y59-L72 PolarHBondContact OH-N 3.12Å
73F77.8Confident69.6Low52 Ų52101.5 Ų101.523%0.22855%0.546CS..  trans-140141.9-179.9-52.7-93.8000109L20 I53 T55 G71 I75 L82 V84L20-F73 HydrophobicContact CD2-CE1 4.49Å; L20-F73 HydrophobicContact CD2-CE2 3.95Å; L20-F73 HydrophobicContact CD2-CZ 3.63Å; I53-F73 HydrophobicContact CG2-CE1 3.75Å; I53-F73 HydrophobicContact CG2-CZ 3.83Å; T55-F73 HydrophobicContact CG2-CD1 4.15Å; T55-F73 HydrophobicContact CG2-CE1 3.65Å; T55-F73 HydrophobicContact CG2-CZ 3.85Å; G71-F73 VanDerWaalsContact O-CD2 3.28Å; G71-F73 WeakPolarHBondContact O-CD2 3.45Å; G71-F73 VanDerWaalsContact O-CE2 3.29Å; G71-F73 WeakPolarHBondContact O-CE2 3.32Å; F73-I75 PolarHBondContact O-N 3.1Å; F73-L82 HydrophobicContact CB-CD1 3.49Å; F73-L82 VanDerWaalsContact CB-CD1 3.49Å; F73-L82 HydrophobicContact CB-CD2 3.67Å; F73-L82 HydrophobicContact CB-CG 4.1Å; F73-L82 HydrophobicContact CD1-CD2 4.32Å; F73-L82 HydrophobicContact CD2-CD2 3.85Å; F73-L82 HydrophobicContact CG-CD1 4.4Å; F73-L82 HydrophobicContact CG-CD2 3.72Å; F73-V84 HydrophobicContact CD1-CG2 4.32Å; F73-V84 HydrophobicContact CE1-CG1 3.92Å; F73-V84 HydrophobicContact CE1-CG2 4.28Å
74L74.1Confident71.5Confident100 Ų10090.1 Ų90.152%0.52450%0.501SS..  trans-71.8121.8174.7-173.564.8000110.5E56 L82E56-L74 WeakPolarHBondContact OE2-CB 3.28Å; L74-L82 VanDerWaalsContact O-CD1 3.26Å; L74-L82 WeakPolarHBondContact O-CD1 3.4Å
75I78.5Confident73.4Confident97 Ų9792.5 Ų92.550%0.49751%0.509SS..  trans-95.2111.3169.3-60.2175.2000107.4F73 L82F73-I75 PolarHBondContact O-N 3.1Å; I75-L82 HydrophobicContact CG1-CD1 3.9Å
76H81Confident75.3Confident86 Ų8687.9 Ų87.940%0.39848%0.479SS..  trans-67.6128.6170.2-60.6-76.9000109.4E78 L79H76-E78 PolarHBondContact O-N 3.13Å; H76-E78 VanDerWaalsContact O-N 3.12Å; H76-L79 HydrophobicContact CB-CB 4.43Å; H76-L79 HydrophobicContact CB-CD1 4.07Å; H76-L79 HydrophobicContact CB-CG 4.02Å; H76-L79 PolarHBondContact O-N 3.31Å
77P80.5Confident77.8Confident130 Ų13083.9 Ų83.984%0.84445%0.454SS*.THydrogen-bonded Turntrans-65.3-19.3-174.326.4-35.2000113.6L79P77-L79 VanDerWaalsContact C-N 3.34Å
78E86.3Confident80.2Confident182 Ų18280 Ų8085%0.8541%0.414SS*.THydrogen-bonded Turntrans-79.1-13.7176.3-63171.2-162.500113.4H76H76-E78 PolarHBondContact O-N 3.13Å; H76-E78 VanDerWaalsContact O-N 3.12Å
79L84.9Confident82.4Confident47 Ų4778 Ų7825%0.24641%0.405CS..  trans-108.7126.1-173.5-58.6-175.9000112.1H76 P77 H81 R83H76-L79 HydrophobicContact CB-CB 4.43Å; H76-L79 HydrophobicContact CB-CD1 4.07Å; H76-L79 HydrophobicContact CB-CG 4.02Å; H76-L79 PolarHBondContact O-N 3.31Å; P77-L79 VanDerWaalsContact C-N 3.34Å; L79-H81 WeakPolarHBondContact CB-O 3.49Å; L79-H81 PolarHBondContact O-N 3.25Å; L79-H81 VanDerWaalsContact O-N 3.08Å; L79-R83 HydrophobicContact CD1-CG 4.3Å
80N85.7Confident84.3Confident117 Ų11770.7 Ų70.763%0.62636%0.36SS*.SBendtrans-74.513.3171.168.3-3.8000114.2P14P14-N80 WeakPolarHBondContact CD-O 3.38Å
81H89.4Confident86.2Confident29 Ų2969.5 Ų69.513%0.13435%0.348CS..SBendtrans-151.1150-175.859.4-89.5000110P11 I12 Y13 L79P11-H81 HydrophobicContact CB-CB 4.33Å; P11-H81 VanDerWaalsContact CB-CD2 3.41Å; P11-H81 WeakPolarHBondContact CB-CD2 3.47Å; I12-H81 WeakPolarHBondContact O-CA 3.32Å; Y13-H81 HydrophobicContact CD1-CB 3.8Å; Y13-H81 HydrophobicContact CE1-CB 3.81Å; Y13-H81 HydrophobicContact CG-CB 4.43Å; L79-H81 WeakPolarHBondContact CB-O 3.49Å; L79-H81 PolarHBondContact O-N 3.25Å; L79-H81 VanDerWaalsContact O-N 3.08Å
82L88.8Confident87.5Confident12 Ų1268 Ų686%0.06333%0.333CS..EExtended strand (participates in β ladder)trans-84.6134.4169.918067.5000109.4I12 F17 F73 L74 I75 V84I12-L82 PolarHBondContact N-O 2.78Å; I12-L82 PolarHBondContact O-N 3.22Å; F17-L82 HydrophobicContact CE1-CB 3.71Å; F17-L82 HydrophobicContact CE1-CD2 4.47Å; F17-L82 HydrophobicContact CZ-CB 4.09Å; F73-L82 HydrophobicContact CB-CD1 3.49Å; F73-L82 VanDerWaalsContact CB-CD1 3.49Å; F73-L82 HydrophobicContact CB-CD2 3.67Å; F73-L82 HydrophobicContact CB-CG 4.1Å; F73-L82 HydrophobicContact CD1-CD2 4.32Å; F73-L82 HydrophobicContact CD2-CD2 3.85Å; F73-L82 HydrophobicContact CG-CD1 4.4Å; F73-L82 HydrophobicContact CG-CD2 3.72Å; L74-L82 VanDerWaalsContact O-CD1 3.26Å; L74-L82 WeakPolarHBondContact O-CD1 3.4Å; I75-L82 HydrophobicContact CG1-CD1 3.9Å; L82-V84 HydrophobicContact CB-CG2 4.5Å; L82-V84 HydrophobicContact CD2-CG2 3.49Å; L82-V84 VanDerWaalsContact CD2-CG2 3.49Å; L82-V84 HydrophobicContact CG-CG2 3.7Å
83R89.2Confident88.5Confident141 Ų14164.7 Ų64.753%0.53232%0.315SS..EExtended strand (participates in β ladder)trans-87.2120167.7-70.9-174.5178.8-170.51.2108.6L79L79-R83 HydrophobicContact CD1-CG 4.3Å
84V90.1Very high89.2Confident0 Ų065.7 Ų65.70%032%0.317CS..EExtended strand (participates in β ladder)trans-116.6125.7179.3-178.70000110.2C9 V10 I12 L20 L24 I53 F73 L82C9-V84 WeakPolarHBondContact CA-O 3.48Å; V10-V84 PolarHBondContact N-O 2.92Å; V10-V84 PolarHBondContact O-N 3.3Å; I12-V84 HydrophobicContact CB-CG2 4.46Å; I12-V84 HydrophobicContact CG1-CB 4.11Å; I12-V84 HydrophobicContact CG1-CG2 3.85Å; L20-V84 HydrophobicContact CD1-CB 4.17Å; L20-V84 HydrophobicContact CD1-CG1 4.09Å; L20-V84 HydrophobicContact CD1-CG2 3.83Å; L20-V84 HydrophobicContact CD2-CG1 4.32Å; L20-V84 HydrophobicContact CD2-CG2 4.46Å; L24-V84 HydrophobicContact CD1-CG1 4.09Å; L24-V84 HydrophobicContact CD2-CB 4.43Å; L24-V84 HydrophobicContact CD2-CG1 4.33Å; I53-V84 HydrophobicContact CG2-CG1 3.65Å; F73-V84 HydrophobicContact CD1-CG2 4.32Å; F73-V84 HydrophobicContact CE1-CG1 3.92Å; F73-V84 HydrophobicContact CE1-CG2 4.28Å; L82-V84 HydrophobicContact CB-CG2 4.5Å; L82-V84 HydrophobicContact CD2-CG2 3.49Å; L82-V84 VanDerWaalsContact CD2-CG2 3.49Å; L82-V84 HydrophobicContact CG-CG2 3.7Å
85H91.3Very high89.9Confident94 Ų9461.7 Ų61.744%0.43530%0.297SS..EExtended strand (participates in β ladder)trans-88127.1175.5-70.8-101.3000109.9F8 C9 I54F8-H85 CarbonylContact O-C 3.6Å; F8-H85 WeakPolarHBondContact O-CA 3.4Å; C9-H85 PolarHBondContact SG-NE2 3.49Å; C9-H85 VanDerWaalsContact SG-NE2 3.36Å; I54-H85 HydrophobicContact CB-CB 4.01Å; I54-H85 HydrophobicContact CD1-CB 4.47Å; I54-H85 PolarHBondContact N-O 3.31Å
86G91.8Very high90.5Very high0 Ų061.6 Ų61.60%029%0.294CS..EExtended strand (participates in β ladder)trans-120.3153.4177.400000111.1S7 F8 Q52S7-G86 CarbonylContact C-O 3.59Å; S7-G86 WeakPolarHBondContact CA-O 3.47Å; F8-G86 WeakPolarHBondContact CD1-O 3.41Å; F8-G86 PolarHBondContact N-O 2.91Å; F8-G86 PolarHBondContact O-N 2.82Å; Q52-G86 CarbonylContact O-C 3.58Å; Q52-G86 WeakPolarHBondContact O-CA 3.5Å
87K94.3Very high91Very high81 Ų8163.1 Ų63.135%0.35231%0.305SS..EExtended strand (participates in β ladder)trans-134.1130.8171.2-173.2175.6-175.8176.10109.5W6 L51 Q52 I54W6-K87 CarbonylContact O-C 3.58Å; W6-K87 VanDerWaalsContact O-CA 3.27Å; W6-K87 WeakPolarHBondContact O-CA 3.43Å; L51-K87 WeakPolarHBondContact CA-O 3.42Å; Q52-K87 HydrophobicContact CB-CB 4.43Å; Q52-K87 PolarHBondContact N-O 2.82Å; Q52-K87 PolarHBondContact O-N 3.49Å; I54-K87 HydrophobicContact CD1-CB 4.29Å
88I96.2Very high91.6Very high2 Ų258.5 Ų58.51%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-145.1148.1-175.7-160.9171.4000111A5 W6 F8 L25 V28 F46 D47 S50 L51 V90A5-I88 CarbonylContact C-O 3.37Å; A5-I88 WeakPolarHBondContact CA-O 3.42Å; W6-I88 HydrophobicContact CE3-CG2 4.43Å; W6-I88 PolarHBondContact N-O 2.85Å; W6-I88 PolarHBondContact O-N 3.4Å; F8-I88 HydrophobicContact CD1-CG2 4.37Å; F8-I88 HydrophobicContact CE1-CB 4.18Å; F8-I88 HydrophobicContact CE1-CG2 3.72Å; L25-I88 HydrophobicContact CD2-CD1 4.15Å; V28-I88 HydrophobicContact CG1-CD1 4.47Å; V28-I88 HydrophobicContact CG2-CG2 4.39Å; F46-I88 HydrophobicContact CB-CD1 4.39Å; F46-I88 HydrophobicContact CD2-CD1 3.68Å; F46-I88 HydrophobicContact CE2-CD1 4.48Å; F46-I88 HydrophobicContact CG-CD1 4.4Å; D47-I88 WeakPolarHBondContact O-CG1 3.41Å; S50-I88 WeakPolarHBondContact OG-CG1 3.5Å; L51-I88 HydrophobicContact CB-CD1 4.01Å; L51-I88 HydrophobicContact CB-CG1 4.2Å; L51-I88 HydrophobicContact CD1-CB 4.27Å; L51-I88 HydrophobicContact CD1-CD1 4.41Å; I88-V90 HydrophobicContact CG2-CG1 3.87Å
89K97.3Very high91.9Very high120 Ų12051.7 Ų51.752%0.52225%0.25SS..EExtended strand (participates in β ladder)trans-77.1131.1170.4-64.1179.2-179.91800109.8A4 F46 D47 S50A4-K89 CarbonylContact O-C 3.56Å; A4-K89 WeakPolarHBondContact O-CA 3.43Å; F46-K89 WeakPolarHBondContact CA-O 3.38Å; D47-K89 HydrophobicContact CB-CB 4.34Å; D47-K89 PolarHBondContact N-O 2.9Å; S50-K89 WeakPolarHBondContact OG-CB 3.45Å; S50-K89 PolarHBondContact OG-N 2.84Å
90V97.8Very high92.3Very high0 Ų054 Ų540%026%0.259CS..EExtended strand (participates in β ladder)trans-127.8150.8-176.5-67.60000110.6S3 A4 W6 L39 L43 F46 I88 V92S3-V90 CarbonylContact C-O 3.57Å; S3-V90 WeakPolarHBondContact CA-O 3.31Å; A4-V90 HydrophobicContact CB-CG2 4.06Å; A4-V90 PolarHBondContact N-O 3.47Å; A4-V90 WeakPolarHBondContact O-CG2 3.41Å; A4-V90 PolarHBondContact O-N 2.71Å; W6-V90 HydrophobicContact CB-CG1 3.91Å; W6-V90 HydrophobicContact CB-CG2 3.89Å; W6-V90 HydrophobicContact CE3-CG1 4.17Å; L39-V90 HydrophobicContact CD1-CG2 4.1Å; L39-V90 HydrophobicContact CD2-CG2 4.29Å; L43-V90 HydrophobicContact CD1-CB 3.56Å; L43-V90 HydrophobicContact CD1-CG1 3.54Å; F46-V90 HydrophobicContact CB-CG1 4.2Å; I88-V90 HydrophobicContact CG2-CG1 3.87Å; V90-V92 HydrophobicContact CB-CG2 4.28Å; V90-V92 HydrophobicContact CG2-CG2 3.65Å
91N96.7Very high92.6Very high53 Ų5349.1 Ų49.128%0.28323%0.234SC..EExtended strand (participates in β ladder)trans-103.8118.2167.2-65.9-37.9000107.9E2 V44 D45E2-N91 WeakPolarHBondContact O-CA 3.4Å; V44-N91 WeakPolarHBondContact CB-O 3.35Å; V44-N91 PolarHBondContact N-O 2.89Å; D45-N91 HydrophobicContact CB-CB 4.15Å; D45-N91 PolarHBondContact N-O 2.85Å; D45-N91 PolarHBondContact O-N 2.87Å; D45-N91 PolarHBondContact OD2-ND2 3.25Å; D45-N91 VanDerWaalsContact OD2-ND2 3.12Å
92V94.5Very high92.8Very high0 Ų049.9 Ų49.90%024%0.239CC..EExtended strand (participates in β ladder)trans-114.1143.5-172.7-169.80000110.2M1 E2 A4 L39 V42 V90 R94M1-V92 WeakPolarHBondContact CA-O 3.49Å; E2-V92 PolarHBondContact N-O 3.38Å; E2-V92 PolarHBondContact O-N 3.14Å; A4-V92 HydrophobicContact CB-CG2 4.41Å; L39-V92 HydrophobicContact CB-CG1 4.24Å; L39-V92 HydrophobicContact CB-CG2 4.4Å; L39-V92 HydrophobicContact CD1-CG2 4.03Å; L39-V92 HydrophobicContact CD2-CG2 4.49Å; V42-V92 WeakPolarHBondContact O-CA 3.4Å; V90-V92 HydrophobicContact CB-CG2 4.28Å; V90-V92 HydrophobicContact CG2-CG2 3.65Å; V92-R94 HydrophobicContact CG1-CG 3.96Å
93F92.9Very high93Very high15 Ų1549.4 Ų49.47%0.06624%0.237CC..EExtended strand (participates in β ladder)trans-104.7108.8163.4174.1-104.2000109.7G41 V42 V44 P95 L99 V101 I119 V122 L166G41-F93 CarbonylContact C-O 3.47Å; G41-F93 VanDerWaalsContact CA-O 3.23Å; G41-F93 WeakPolarHBondContact CA-O 3.36Å; V42-F93 HydrophobicContact CB-CB 4.49Å; V42-F93 PolarHBondContact N-O 3.26Å; V42-F93 PolarHBondContact O-N 3.06Å; V44-F93 HydrophobicContact CG2-CB 3.83Å; F93-P95 HydrophobicContact CE1-CB 3.85Å; F93-P95 HydrophobicContact CE1-CG 4.21Å; F93-P95 HydrophobicContact CZ-CB 4.18Å; F93-P95 VanDerWaalsContact O-CD 3.3Å; F93-P95 WeakPolarHBondContact O-CD 3.35Å; F93-L99 HydrophobicContact CE2-CD2 3.9Å; F93-L99 HydrophobicContact CZ-CD2 4.14Å; F93-V101 HydrophobicContact CZ-CG2 4.5Å; F93-I119 HydrophobicContact CB-CD1 3.59Å; F93-I119 HydrophobicContact CD1-CD1 3.96Å; F93-I119 HydrophobicContact CD2-CD1 3.34Å; F93-I119 HydrophobicContact CE1-CD1 4.48Å; F93-I119 HydrophobicContact CE2-CD1 3.95Å; F93-I119 HydrophobicContact CG-CD1 3.34Å; F93-I119 HydrophobicContact CZ-CD1 4.48Å; F93-V122 HydrophobicContact CD1-CG2 4.3Å; F93-V122 HydrophobicContact CE1-CG1 3.95Å; F93-L166 HydrophobicContact CE1-CD1 4.14Å; F93-L166 HydrophobicContact CZ-CD1 4.43Å
94R91.7Very high93.2Very high73 Ų7346.1 Ų46.128%0.27523%0.229SC..  trans-97.999.6173.2-65.6-172.7174.5122.8-4.2109.4E2 L39 V92 H96E2-R94 WeakPolarHBondContact OE2-CD 2.92Å; E2-R94 IonicContact OE2-CZ 3.7Å; E2-R94 IonicContact OE2-NE 3.93Å; E2-R94 IonicContact OE2-NH1 2.71Å; E2-R94 PolarHBondContact OE2-NH1 3.42Å; L39-R94 PolarHBondContact O-NE 3.43Å; L39-R94 PolarHBondContact O-NH2 2.87Å; L39-R94 VanDerWaalsContact O-NH2 3.14Å; V92-R94 HydrophobicContact CG1-CG 3.96Å; R94-H96 PolarHBondContact O-N 3.04Å; R94-H96 PolarHBondContact O-ND1 3.04Å
95P89.1Confident93.3Very high16 Ų1646.1 Ų46.110%0.10423%0.229CC..  trans-64.7135170.928.9-33000108.9F93 L154 I157 L166F93-P95 HydrophobicContact CE1-CB 3.85Å; F93-P95 HydrophobicContact CE1-CG 4.21Å; F93-P95 HydrophobicContact CZ-CB 4.18Å; F93-P95 VanDerWaalsContact O-CD 3.3Å; F93-P95 WeakPolarHBondContact O-CD 3.35Å; P95-L154 HydrophobicContact CB-CD1 3.78Å; P95-I157 VanDerWaalsContact C-CD1 3.49Å; P95-I157 HydrophobicContact CB-CD1 3.97Å; P95-I157 HydrophobicContact CB-CG1 4.19Å; P95-I157 HydrophobicContact CB-CG2 4.33Å; P95-I157 HydrophobicContact CG-CG2 3.98Å; P95-I157 WeakPolarHBondContact O-CD1 3.39Å; P95-L166 HydrophobicContact CB-CD1 4.32Å; P95-L166 HydrophobicContact CB-CD2 3.8Å; P95-L166 HydrophobicContact CG-CD2 4.08Å
96H90.8Very high93.4Very high95 Ų9542.9 Ų42.944%0.4422%0.217SC..  trans-137.5155172.456.2-91.3000110R94 G98 L99 I157R94-H96 PolarHBondContact O-N 3.04Å; R94-H96 PolarHBondContact O-ND1 3.04Å; H96-G98 PolarHBondContact O-N 3.19Å; H96-L99 WeakPolarHBondContact O-CB 3.41Å; H96-L99 PolarHBondContact O-N 3Å; H96-L99 VanDerWaalsContact O-N 3.15Å; H96-I157 VanDerWaalsContact C-CD1 3.49Å; H96-I157 VanDerWaalsContact CA-CD1 3.45Å
97L92.6Very high93.3Very high118 Ų11845.5 Ų45.562%0.61823%0.233SC*.THydrogen-bonded Turntrans-63.9135.3-177.4-61.4180000110.3L99 I157L97-L99 VanDerWaalsContact C-N 3.3Å; L97-L99 PolarHBondContact O-N 2.89Å; L97-I157 HydrophobicContact CD2-CD1 3.96Å; L97-I157 HydrophobicContact CD2-CG1 4.14Å; L97-I157 HydrophobicContact CG-CD1 4.35Å
98G91.6Very high93.1Very high33 Ų3343.8 Ų43.834%0.3423%0.229SC..THydrogen-bonded Turntrans82.5-5.4-175.500000115.5H96 E100 K153 L154H96-G98 PolarHBondContact O-N 3.19Å; G98-E100 PolarHBondContact O-N 3.2Å; G98-K153 WeakPolarHBondContact O-CE 3.34Å; G98-L154 PolarHBondContact N-O 3.03Å
99L92.7Very high92.7Very high40 Ų4050.5 Ų50.521%0.20925%0.254CS..  trans-60.2132.9172.4177.259.6000110.6F93 H96 L97 V101 K153 L154F93-L99 HydrophobicContact CE2-CD2 3.9Å; F93-L99 HydrophobicContact CZ-CD2 4.14Å; H96-L99 WeakPolarHBondContact O-CB 3.41Å; H96-L99 PolarHBondContact O-N 3Å; H96-L99 VanDerWaalsContact O-N 3.15Å; L97-L99 VanDerWaalsContact C-N 3.3Å; L97-L99 PolarHBondContact O-N 2.89Å; L99-V101 HydrophobicContact CD2-CG2 4.07Å; L99-V101 HydrophobicContact CG-CG2 3.9Å; L99-K153 WeakPolarHBondContact O-CA 3.49Å; L99-L154 HydrophobicContact CB-CD1 4.16Å; L99-L154 HydrophobicContact CB-CG 4.32Å; L99-L154 HydrophobicContact CD2-CD1 4.16Å; L99-L154 HydrophobicContact CG-CD1 4.49Å; L99-L154 PolarHBondContact O-N 2.96Å
100E94.1Very high92.1Very high94 Ų9450.1 Ų50.144%0.43926%0.264SS..EExtended strand (participates in β ladder)trans-93.7130.1174.4-57-175.3-171.700110.2G98 R151 M171G98-E100 PolarHBondContact O-N 3.2Å; E100-R151 HydrophobicContact CB-CG 4.24Å; E100-M171 HydrophobicContact CB-SD 4.33Å; E100-M171 VanDerWaalsContact CD-CE 3.47Å; E100-M171 VanDerWaalsContact CD-SD 3.59Å; E100-M171 HydrophobicContact CG-CE 4.28Å; E100-M171 HydrophobicContact CG-SD 3.73Å; E100-M171 WeakPolarHBondContact OE1-CE 3.23Å
101V92.6Very high91.5Very high16 Ų1657.4 Ų57.410%0.09730%0.298CS..EExtended strand (participates in β ladder)trans-131.5126.4-174.6-173.70000110.1F93 L99 T117 I124 V152 L154F93-V101 HydrophobicContact CZ-CG2 4.5Å; L99-V101 HydrophobicContact CD2-CG2 4.07Å; L99-V101 HydrophobicContact CG-CG2 3.9Å; V101-T117 HydrophobicContact CG1-CG2 3.72Å; V101-I124 HydrophobicContact CB-CD1 4.01Å; V101-I124 HydrophobicContact CG1-CD1 4Å; V101-V152 PolarHBondContact N-O 2.81Å; V101-V152 PolarHBondContact O-N 3.38Å; V101-L154 HydrophobicContact CG2-CD1 4.27Å; V101-L154 HydrophobicContact CG2-CD2 4.27Å; V101-L154 HydrophobicContact CG2-CG 4.11Å
102D93.4Very high91.1Very high45 Ų4558.3 Ų58.324%0.24130%0.3CS..EExtended strand (participates in β ladder)trans-70.7126.2167.8-93.538.9000109.8K149 R151 L174D102-K149 VanDerWaalsContact OD2-CE 3.3Å; D102-K149 WeakPolarHBondContact OD2-CE 3.35Å; D102-K149 IonicContact OD2-NZ 3.36Å; D102-K149 PolarHBondContact OD2-NZ 3.43Å; D102-R151 IonicContact OD1-CZ 3.34Å; D102-R151 IonicContact OD1-NE 2.92Å; D102-R151 PolarHBondContact OD1-NE 2.89Å; D102-R151 IonicContact OD1-NH2 2.87Å; D102-R151 PolarHBondContact OD1-NH2 3.37Å; D102-R151 IonicContact OD2-NH2 3.94Å; D102-L174 HydrophobicContact CB-CD1 4.46Å; D102-L174 WeakPolarHBondContact OD1-CD1 3.43Å; D102-L174 WeakPolarHBondContact OD2-CD1 3.44Å
103A93.1Very high91Very high1 Ų158.3 Ų58.31%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-140.9159.8-175.600000112.5C115 R116 I124 K149 I150 V152A103-C115 HydrophobicContact CB-CB 3.99Å; A103-R116 CarbonylContact C-O 3.59Å; A103-R116 VanDerWaalsContact CA-O 3.32Å; A103-R116 WeakPolarHBondContact CA-O 3.44Å; A103-R116 WeakPolarHBondContact CB-O 3.46Å; A103-I124 HydrophobicContact CB-CD1 4.38Å; A103-K149 WeakPolarHBondContact O-CA 3.46Å; A103-K149 WeakPolarHBondContact O-CG 3.44Å; A103-I150 HydrophobicContact CB-CG1 4.38Å; A103-I150 PolarHBondContact N-O 3.29Å; A103-I150 WeakPolarHBondContact O-CG1 3.3Å; A103-I150 PolarHBondContact O-N 3Å; A103-V152 HydrophobicContact CB-CG2 4.21Å
104I93Very high90.9Very high73 Ų7360.1 Ų60.137%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-113.4122.7177.3-58.2175.1000109.4S106 C115 R116 D148 K149I104-S106 PolarHBondContact O-N 2.79Å; I104-S106 VanDerWaalsContact O-N 3.16Å; I104-S106 PolarHBondContact O-OG 3.08Å; I104-C115 WeakPolarHBondContact O-CA 3.32Å; I104-R116 PolarHBondContact N-O 3.14Å; I104-R116 PolarHBondContact O-N 2.9Å; I104-D148 WeakPolarHBondContact CA-O 3.48Å; I104-K149 HydrophobicContact CG1-CG 4.27Å
105V92.7Very high90.9Very high0 Ų056.7 Ų56.70%030%0.297CS..EExtended strand (participates in β ladder)trans-60.3118176.9177.70000109.2V108 I113 L144 K145 P146 F147 D148 I150V105-V108 HydrophobicContact CG1-CG2 3.7Å; V105-I113 HydrophobicContact CG1-CG2 3.62Å; V105-I113 HydrophobicContact CG2-CG2 4.27Å; V105-L144 HydrophobicContact CG2-CB 4.47Å; V105-L144 HydrophobicContact CG2-CD1 4.45Å; V105-K145 WeakPolarHBondContact CB-O 3.21Å; V105-K145 VanDerWaalsContact CG1-O 3.31Å; V105-K145 WeakPolarHBondContact CG1-O 3.45Å; V105-P146 WeakPolarHBondContact O-CA 3.44Å; V105-F147 PolarHBondContact O-N 3.37Å; V105-D148 HydrophobicContact CB-CB 4.45Å; V105-D148 HydrophobicContact CG2-CB 4.14Å; V105-D148 PolarHBondContact N-O 2.91Å; V105-I150 HydrophobicContact CG2-CD1 3.76Å; V105-I150 HydrophobicContact CG2-CG1 4.16Å; V105-I150 HydrophobicContact CG2-CG2 4.08Å
106S91.7Very high91.1Very high26 Ų2663.4 Ų63.418%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-105.3-41.2-175.1-62.40000112.4I104 L114 R116I104-S106 PolarHBondContact O-N 2.79Å; I104-S106 VanDerWaalsContact O-N 3.16Å; I104-S106 PolarHBondContact O-OG 3.08Å; S106-L114 WeakPolarHBondContact CA-O 3.26Å; S106-L114 WeakPolarHBondContact CB-O 3.47Å; S106-L114 PolarHBondContact N-O 3.21Å; S106-R116 VanDerWaalsContact OG-CD 3.32Å; S106-R116 WeakPolarHBondContact OG-CD 3.45Å; S106-R116 VanDerWaalsContact OG-CG 3.28Å; S106-R116 WeakPolarHBondContact OG-CG 3.44Å; S106-R116 PolarHBondContact OG-N 3.07Å
107V90.7Very high91.1Very high54 Ų5459.7 Ų59.733%0.32730%0.304SS..EExtended strand (participates in β ladder)trans-143.3125.5175.7-172.90000109.9R109 L114V107-R109 HydrophobicContact CG1-CG 4.12Å; V107-L114 HydrophobicContact CB-CB 4.31Å; V107-L114 PolarHBondContact N-O 2.86Å; V107-L114 PolarHBondContact O-N 2.85Å
108V89.4Confident90.9Very high45 Ų4560.9 Ų60.927%0.27331%0.307SS..EExtended strand (participates in β ladder)trans-95122.1170.3-176.40000108.4V105 I113 P146V105-V108 HydrophobicContact CG1-CG2 3.7Å; V108-I113 HydrophobicContact CG1-CG1 4.43Å; V108-I113 HydrophobicContact CG2-CG2 4.28Å; V108-P146 HydrophobicContact CG2-CG 4.48Å
109R88.1Confident90.6Very high143 Ų14360 Ų6054%0.5429%0.294SS..  trans-112.3171.8171.2-64-60.9-171165.1-1109.7V107 Q111 F112 R128V107-R109 HydrophobicContact CG1-CG 4.12Å; R109-Q111 VanDerWaalsContact C-N 3.34Å; R109-F112 CarbonylContact C-O 3.53Å; R109-F112 WeakPolarHBondContact CA-O 3.33Å; R109-F112 HydrophobicContact CB-CD1 4.36Å; R109-F112 HydrophobicContact CB-CD2 4.42Å; R109-F112 HydrophobicContact CB-CE1 4.25Å; R109-F112 HydrophobicContact CB-CE2 4.32Å; R109-F112 HydrophobicContact CB-CG 4.44Å; R109-F112 HydrophobicContact CB-CZ 4.23Å; R109-F112 WeakPolarHBondContact CB-O 3.42Å; R109-F112 HydrophobicContact CG-CD2 4.41Å; R109-F112 HydrophobicContact CG-CE1 4.28Å; R109-F112 HydrophobicContact CG-CE2 3.87Å; R109-F112 HydrophobicContact CG-CZ 3.8Å; R109-F112 PolarHBondContact N-O 2.87Å; R109-R128 WeakPolarHBondContact O-CD 3.44Å; R109-R128 PolarHBondContact O-NH1 3.38Å
110P84.5Confident90.2Very high112 Ų11261.4 Ų61.473%0.72731%0.307SS*.SBendtrans-64.2-37.4174.3-24.635.9000113.2
111Q86.1Confident89.6Confident154 Ų15461.3 Ų61.372%0.7231%0.31SS*.SBendtrans-95-24.1-173.4-68.3169-22.800114.3R109 R128R109-Q111 VanDerWaalsContact C-N 3.34Å; Q111-R128 PolarHBondContact O-N 2.9Å
112F88.8Confident89.3Confident71 Ų7160.6 Ų60.631%0.31131%0.305SS..EExtended strand (participates in β ladder)trans-155163.7-175.361.4-92.3000111.9R109 L114 I126R109-F112 CarbonylContact C-O 3.53Å; R109-F112 WeakPolarHBondContact CA-O 3.33Å; R109-F112 HydrophobicContact CB-CD1 4.36Å; R109-F112 HydrophobicContact CB-CD2 4.42Å; R109-F112 HydrophobicContact CB-CE1 4.25Å; R109-F112 HydrophobicContact CB-CE2 4.32Å; R109-F112 HydrophobicContact CB-CG 4.44Å; R109-F112 HydrophobicContact CB-CZ 4.23Å; R109-F112 WeakPolarHBondContact CB-O 3.42Å; R109-F112 HydrophobicContact CG-CD2 4.41Å; R109-F112 HydrophobicContact CG-CE1 4.28Å; R109-F112 HydrophobicContact CG-CE2 3.87Å; R109-F112 HydrophobicContact CG-CZ 3.8Å; R109-F112 PolarHBondContact N-O 2.87Å; F112-L114 HydrophobicContact CD2-CB 4.32Å; F112-L114 HydrophobicContact CE2-CB 4.24Å; F112-I126 CarbonylContact C-O 3.52Å; F112-I126 WeakPolarHBondContact CA-O 3.2Å; F112-I126 WeakPolarHBondContact CB-O 3.44Å
113I90.6Very high89.1Confident0 Ų061 Ų610%031%0.307CS..EExtended strand (participates in β ladder)trans-119.4121.1171.8-51.5-179.8000107.8V105 V108 I126 R128 Q141 L144V105-I113 HydrophobicContact CG1-CG2 3.62Å; V105-I113 HydrophobicContact CG2-CG2 4.27Å; V108-I113 HydrophobicContact CG1-CG1 4.43Å; V108-I113 HydrophobicContact CG2-CG2 4.28Å; I113-I126 HydrophobicContact CB-CB 4.28Å; I113-I126 PolarHBondContact N-O 2.64Å; I113-I126 PolarHBondContact O-N 3.07Å; I113-R128 HydrophobicContact CD1-CG 4.17Å; I113-R128 HydrophobicContact CG1-CG 3.76Å; I113-Q141 HydrophobicContact CD1-CB 4.23Å; I113-L144 HydrophobicContact CD1-CB 4.19Å; I113-L144 HydrophobicContact CD1-CD1 3.79Å
114L92Very high89Confident54 Ų5461 Ų6128%0.28331%0.306SS..EExtended strand (participates in β ladder)trans-97.8122.3-178.6-176.864.5000109.6S106 V107 F112 M123S106-L114 WeakPolarHBondContact CA-O 3.26Å; S106-L114 WeakPolarHBondContact CB-O 3.47Å; S106-L114 PolarHBondContact N-O 3.21Å; V107-L114 HydrophobicContact CB-CB 4.31Å; V107-L114 PolarHBondContact N-O 2.86Å; V107-L114 PolarHBondContact O-N 2.85Å; F112-L114 HydrophobicContact CD2-CB 4.32Å; F112-L114 HydrophobicContact CE2-CB 4.24Å; L114-M123 HydrophobicContact CD1-CB 4.27Å; L114-M123 HydrophobicContact CD1-CE 3.61Å; L114-M123 HydrophobicContact CD2-CE 3.89Å; L114-M123 HydrophobicContact CG-CE 3.48Å; L114-M123 VanDerWaalsContact CG-CE 3.48Å
115C92.3Very high89Confident0 Ų058.9 Ų58.90%030%0.298CS..EExtended strand (participates in β ladder)trans-122.4142.9-171.2-510000110.8A103 I104 M123 I124A103-C115 HydrophobicContact CB-CB 3.99Å; I104-C115 WeakPolarHBondContact O-CA 3.32Å; C115-M123 WeakPolarHBondContact O-CA 3.41Å; C115-M123 WeakPolarHBondContact O-CE 3.46Å; C115-I124 HydrophobicContact CB-CB 4.5Å; C115-I124 PolarHBondContact N-O 3.08Å; C115-I124 PolarHBondContact O-N 2.94Å
116R91.8Very high88.9Confident157 Ų15758.9 Ų58.959%0.59230%0.298SS*.EExtended strand (participates in β ladder)trans-96.9136.3172.1-79.3169.9-178.3164.30.5109.3A103 I104 S106 M123A103-R116 CarbonylContact C-O 3.59Å; A103-R116 VanDerWaalsContact CA-O 3.32Å; A103-R116 WeakPolarHBondContact CA-O 3.44Å; A103-R116 WeakPolarHBondContact CB-O 3.46Å; I104-R116 PolarHBondContact N-O 3.14Å; I104-R116 PolarHBondContact O-N 2.9Å; S106-R116 VanDerWaalsContact OG-CD 3.32Å; S106-R116 WeakPolarHBondContact OG-CD 3.45Å; S106-R116 VanDerWaalsContact OG-CG 3.28Å; S106-R116 WeakPolarHBondContact OG-CG 3.44Å; S106-R116 PolarHBondContact OG-N 3.07Å; R116-M123 HydrophobicContact CB-SD 4.48Å; R116-M123 HydrophobicContact CG-CE 3.78Å; R116-M123 HydrophobicContact CG-SD 3.5Å; R116-M123 VanDerWaalsContact CG-SD 3.5Å
117T90.9Very high88.7Confident17 Ų1760 Ų6010%0.10430%0.304CS..EExtended strand (participates in β ladder)trans-84.2177.1166.272.20000110.2V101 I119 V122 I124V101-T117 HydrophobicContact CG1-CG2 3.72Å; T117-I119 PolarHBondContact O-N 3.2Å; T117-I119 PolarHBondContact OG1-N 3.4Å; T117-I119 VanDerWaalsContact OG1-N 3.1Å; T117-I119 PolarHBondContact OG1-O 3.08Å; T117-I119 VanDerWaalsContact OG1-O 3.13Å; T117-V122 HydrophobicContact CG2-CG1 3.87Å; T117-V122 PolarHBondContact N-O 2.79Å; T117-V122 WeakPolarHBondContact OG1-CB 3.43Å; T117-V122 PolarHBondContact OG1-O 3.3Å; T117-I124 HydrophobicContact CG2-CD1 3.59Å; T117-I124 HydrophobicContact CG2-CG1 3.85Å
118E88.4Confident88.2Confident143 Ų14360 Ų6067%0.66830%0.298SS*.SBendtrans-69-12.6170-63.9174.6-174.400112.2K149E118-K149 IonicContact OE1-NZ 2.72Å; E118-K149 PolarHBondContact OE1-NZ 3.22Å
119I86.6Confident86.9Confident16 Ų1662.9 Ų62.98%0.08231%0.312CS..SBendtrans-94.2128177.2-60.5155.5000109.6M1 V42 V44 F93 T117 V122M1-I119 HydrophobicContact CE-CD1 4.03Å; M1-I119 HydrophobicContact CE-CG1 3.74Å; V42-I119 HydrophobicContact CG1-CG2 4.4Å; V44-I119 HydrophobicContact CG2-CD1 4.49Å; V44-I119 HydrophobicContact CG2-CG1 4.38Å; V44-I119 HydrophobicContact CG2-CG2 4.02Å; F93-I119 HydrophobicContact CB-CD1 3.59Å; F93-I119 HydrophobicContact CD1-CD1 3.96Å; F93-I119 HydrophobicContact CD2-CD1 3.34Å; F93-I119 HydrophobicContact CE1-CD1 4.48Å; F93-I119 HydrophobicContact CE2-CD1 3.95Å; F93-I119 HydrophobicContact CG-CD1 3.34Å; F93-I119 HydrophobicContact CZ-CD1 4.48Å; T117-I119 PolarHBondContact O-N 3.2Å; T117-I119 PolarHBondContact OG1-N 3.4Å; T117-I119 VanDerWaalsContact OG1-N 3.1Å; T117-I119 PolarHBondContact OG1-O 3.08Å; T117-I119 VanDerWaalsContact OG1-O 3.13Å; I119-V122 HydrophobicContact CB-CB 4.21Å; I119-V122 HydrophobicContact CB-CG2 4.14Å; I119-V122 HydrophobicContact CG2-CB 4.24Å; I119-V122 HydrophobicContact CG2-CG2 3.65Å; I119-V122 PolarHBondContact O-N 3.15Å
120S83.8Confident85.2Confident69 Ų6959.6 Ų59.648%0.48331%0.311SS..THydrogen-bonded Turntrans-65.3145.5-179.9-720000111.8V122S120-V122 PolarHBondContact O-N 3.4Å; S120-V122 VanDerWaalsContact O-N 3.08Å
121N80.8Confident83.5Confident92 Ų9258.9 Ų58.949%0.49231%0.308SS..THydrogen-bonded Turntrans63.3-6.1-172.6-53.9-21.4000116.4N33 M123N33-N121 HydrophobicContact CB-CB 4.45Å; N33-N121 WeakPolarHBondContact CB-ND2 3.43Å; N33-N121 PolarHBondContact O-ND2 3Å; N121-M123 PolarHBondContact O-N 2.96Å
122V86.7Confident81.5Confident1 Ų159.9 Ų59.91%0.00631%0.313CS..  trans-89.4109.8174.7178.60000110.1V42 F93 T117 I119 S120 P164 L166V42-V122 HydrophobicContact CB-CG2 4.43Å; V42-V122 HydrophobicContact CG1-CG2 4.4Å; V42-V122 HydrophobicContact CG2-CG2 3.94Å; F93-V122 HydrophobicContact CD1-CG2 4.3Å; F93-V122 HydrophobicContact CE1-CG1 3.95Å; T117-V122 HydrophobicContact CG2-CG1 3.87Å; T117-V122 PolarHBondContact N-O 2.79Å; T117-V122 WeakPolarHBondContact OG1-CB 3.43Å; T117-V122 PolarHBondContact OG1-O 3.3Å; I119-V122 HydrophobicContact CB-CB 4.21Å; I119-V122 HydrophobicContact CB-CG2 4.14Å; I119-V122 HydrophobicContact CG2-CB 4.24Å; I119-V122 HydrophobicContact CG2-CG2 3.65Å; I119-V122 PolarHBondContact O-N 3.15Å; S120-V122 PolarHBondContact O-N 3.4Å; S120-V122 VanDerWaalsContact O-N 3.08Å; V122-P164 HydrophobicContact CG2-CG 4.25Å; V122-L166 HydrophobicContact CG1-CD1 3.54Å; V122-L166 HydrophobicContact CG1-CG 4.39Å
123M89.3Confident79.5Confident54 Ų5460.2 Ų60.227%0.26632%0.324SS..EExtended strand (participates in β ladder)trans-112.5137.3-178.1-61.6-63-57.300110.3L114 C115 R116 N121 L166L114-M123 HydrophobicContact CD1-CB 4.27Å; L114-M123 HydrophobicContact CD1-CE 3.61Å; L114-M123 HydrophobicContact CD2-CE 3.89Å; L114-M123 HydrophobicContact CG-CE 3.48Å; L114-M123 VanDerWaalsContact CG-CE 3.48Å; C115-M123 WeakPolarHBondContact O-CA 3.41Å; C115-M123 WeakPolarHBondContact O-CE 3.46Å; R116-M123 HydrophobicContact CB-SD 4.48Å; R116-M123 HydrophobicContact CG-CE 3.78Å; R116-M123 HydrophobicContact CG-SD 3.5Å; R116-M123 VanDerWaalsContact CG-SD 3.5Å; N121-M123 PolarHBondContact O-N 2.96Å; M123-L166 PolarHBondContact O-N 2.88Å
124I91.9Very high77.4Confident0 Ų064.3 Ų64.30%035%0.349CS..EExtended strand (participates in β ladder)trans-112.5131173.8-52.6171.1000109.5V101 A103 C115 T117 V152 L154 L166V101-I124 HydrophobicContact CB-CD1 4.01Å; V101-I124 HydrophobicContact CG1-CD1 4Å; A103-I124 HydrophobicContact CB-CD1 4.38Å; C115-I124 HydrophobicContact CB-CB 4.5Å; C115-I124 PolarHBondContact N-O 3.08Å; C115-I124 PolarHBondContact O-N 2.94Å; T117-I124 HydrophobicContact CG2-CD1 3.59Å; T117-I124 HydrophobicContact CG2-CG1 3.85Å; I124-V152 HydrophobicContact CD1-CB 4.47Å; I124-V152 HydrophobicContact CG2-CG1 3.97Å; I124-L154 HydrophobicContact CD1-CD2 3.91Å; I124-L154 HydrophobicContact CG1-CD2 4.23Å; I124-L154 HydrophobicContact CG2-CD2 4.42Å; I124-L166 CarbonylContact C-O 3.58Å; I124-L166 WeakPolarHBondContact CA-O 3.47Å; I124-L166 HydrophobicContact CB-CB 4.47Å; I124-L166 HydrophobicContact CG1-CB 4.01Å; I124-L166 HydrophobicContact CG1-CD1 4.12Å; I124-L166 HydrophobicContact CG2-CB 4.48Å
125S92Very high74.8Confident28 Ų2871.2 Ų71.220%0.19638%0.377CS..EExtended strand (participates in β ladder)trans-103.5122.2171.5-178.40000110.4L166 Q167 G168S125-L166 PolarHBondContact N-O 3.22Å; S125-Q167 VanDerWaalsContact O-CA 3.28Å; S125-Q167 WeakPolarHBondContact O-CA 3.32Å; S125-G168 PolarHBondContact O-N 3.03Å
126I91.2Very high72.3Confident0 Ų079 Ų790%041%0.41CS..EExtended strand (participates in β ladder)trans-101.1117.3174.1-50.7178.7000107.9F112 I113 I150 V152 G168 F170F112-I126 CarbonylContact C-O 3.52Å; F112-I126 WeakPolarHBondContact CA-O 3.2Å; F112-I126 WeakPolarHBondContact CB-O 3.44Å; I113-I126 HydrophobicContact CB-CB 4.28Å; I113-I126 PolarHBondContact N-O 2.64Å; I113-I126 PolarHBondContact O-N 3.07Å; I126-I150 HydrophobicContact CD1-CD1 3.58Å; I126-V152 HydrophobicContact CD1-CG1 3.97Å; I126-V152 HydrophobicContact CD1-CG2 3.77Å; I126-V152 HydrophobicContact CG1-CG1 4Å; I126-G168 WeakPolarHBondContact CA-O 3.27Å; I126-G168 WeakPolarHBondContact CG1-O 3.37Å; I126-G168 WeakPolarHBondContact CG2-O 3.36Å; I126-F170 HydrophobicContact CD1-CB 4.22Å; I126-F170 HydrophobicContact CG2-CB 4.23Å
127P87Confident69.9Low49 Ų4981.3 Ų81.332%0.31843%0.428SS..EExtended strand (participates in β ladder)trans-69.8131.917728.8-33.4000110.4L129 Q141P127-L129 PolarHBondContact O-N 3.25Å; P127-Q141 PolarHBondContact O-OE1 2.88Å
128R79.4Confident67.9Low54 Ų5487.7 Ų87.720%0.20446%0.457CS..  trans-88.998.5173.4-66.7-176.769.4178.52.6109.2R109 Q111 I113R109-R128 WeakPolarHBondContact O-CD 3.44Å; R109-R128 PolarHBondContact O-NH1 3.38Å; Q111-R128 PolarHBondContact O-N 2.9Å; I113-R128 HydrophobicContact CD1-CG 4.17Å; I113-R128 HydrophobicContact CG1-CG 3.76Å
129L63.2Low66.2Low106 Ų10686.8 Ų86.856%0.55545%0.451SS*.  trans-58.8140.6168.5-58.7178.6000109.8P127 Y142P127-L129 PolarHBondContact O-N 3.25Å; L129-Y142 PolarHBondContact O-OH 2.94Å
130S52.2Low64.9Low74 Ų7488.4 Ų88.452%0.51746%0.464SS..  trans-63.5156.6173.153.70000111.1E132 Y142S130-E132 PolarHBondContact O-N 3.36Å; S130-Y142 VanDerWaalsContact C-OH 3.27Å
131S49.4Very low63.8Low97 Ų9787 Ų8768%0.67845%0.449SS*.THydrogen-bonded Turntrans-72.911.3-16651.40000115.3Y142S131-Y142 WeakPolarHBondContact CA-OH 3.34Å; S131-Y142 PolarHBondContact N-OH 3.18Å
132E44.5Very low63.1Low175 Ų17587.2 Ų87.282%0.81844%0.444SS*.THydrogen-bonded Turntrans-90.1-14.4-172.2-65.3170.3124.200113.2S130S130-E132 PolarHBondContact O-N 3.36Å
133S46.4Very low62.5Low78 Ų7892.9 Ų92.955%0.54547%0.472SS..SBendtrans-108.8-19-174.159.20000115.8K135S133-K135 PolarHBondContact O-N 2.93Å
134V45.1Very low62.2Low86 Ų8690.9 Ų90.952%0.52146%0.462SS..  trans-8780.3-169.4-170.80000112K136V134-K136 PolarHBondContact O-N 2.85Å
135K37.3Very low61.9Low200 Ų20097.6 Ų97.687%0.8749%0.491SS*.  trans-90.378.9167.5-74.4-172.9177.7-179.80111.9S133S133-K135 PolarHBondContact O-N 2.93Å
136K40.7Very low61.7Low162 Ų16297.5 Ų97.570%0.70449%0.49SS*.SBendtrans-172.4157.6155.4-108165.5-176.2-172.20111V134 E138V134-K136 PolarHBondContact O-N 2.85Å; K136-E138 PolarHBondContact O-N 3.1Å; K136-E138 VanDerWaalsContact O-N 3.14Å
137E40.3Very low61.6Low207 Ų207101.1 Ų101.197%0.96751%0.506SS*.  trans-8322.7-170.5-64.1167.210700114.1
138E48.8Very low61.7Low151 Ų15199 Ų9971%0.70649%0.492SS*.SBendtrans-84.7145.6-179.9-71163156.100110.6K136 S140K136-E138 PolarHBondContact O-N 3.1Å; K136-E138 VanDerWaalsContact O-N 3.14Å; E138-S140 PolarHBondContact O-N 2.85Å
139F53.1Low62.3Low124 Ų12498.7 Ų98.754%0.54449%0.492SS..  trans-52.5104.3-165-112.1-83.2000112.6M143 F170F139-M143 HydrophobicContact CD1-SD 4.25Å; F139-M143 HydrophobicContact CE1-SD 3.93Å; F139-F170 VanDerWaalsContact O-CE1 3.29Å; F139-F170 WeakPolarHBondContact O-CE1 3.31Å
140S59.8Low63.7Low50 Ų5093.7 Ų93.735%0.3547%0.466SS..  trans-69.9138.8-17079.30000111.6E138 Y142 M143E138-S140 PolarHBondContact O-N 2.85Å; S140-Y142 PolarHBondContact O-N 3.44Å; S140-M143 PolarHBondContact O-N 2.98Å
141Q61.1Low65.7Low38 Ų3893.3 Ų93.318%0.17845%0.453CS..G310 helixtrans-53.2-19.8-179.4-62.1175.6-1.200113.6I113 P127 M143 L144 F170I113-Q141 HydrophobicContact CD1-CB 4.23Å; P127-Q141 PolarHBondContact O-OE1 2.88Å; Q141-M143 PolarHBondContact O-N 3.08Å; Q141-L144 WeakPolarHBondContact O-CB 3.47Å; Q141-L144 PolarHBondContact O-N 2.96Å; Q141-F170 HydrophobicContact CG-CB 3.86Å; Q141-F170 HydrophobicContact CG-CD1 4.01Å; Q141-F170 HydrophobicContact CG-CG 4.1Å
142Y64.9Low67.8Low97 Ų9788.7 Ų88.738%0.3842%0.421SS..G310 helixtrans-63.7-24.7175.8-62.7-104.3000113.8L129 S130 S131 S140 L144L129-Y142 PolarHBondContact O-OH 2.94Å; S130-Y142 VanDerWaalsContact C-OH 3.27Å; S131-Y142 WeakPolarHBondContact CA-OH 3.34Å; S131-Y142 PolarHBondContact N-OH 3.18Å; S140-Y142 PolarHBondContact O-N 3.44Å; Y142-L144 VanDerWaalsContact C-N 3.34Å
143M74.7Confident70.1Confident120 Ų12084.5 Ų84.559%0.59140%0.4SS*.G310 helixtrans-83.2-10.8179-56.9-148.690.900113.5F139 S140 Q141F139-M143 HydrophobicContact CD1-SD 4.25Å; F139-M143 HydrophobicContact CE1-SD 3.93Å; S140-M143 PolarHBondContact O-N 2.98Å; Q141-M143 PolarHBondContact O-N 3.08Å
144L84.1Confident72.4Confident13 Ų1380.9 Ų80.97%0.06837%0.374CS..  trans-68136-177.5-65.9177.7000111.7V105 I113 Q141 Y142 D148 I150 F170 C173V105-L144 HydrophobicContact CG2-CB 4.47Å; V105-L144 HydrophobicContact CG2-CD1 4.45Å; I113-L144 HydrophobicContact CD1-CB 4.19Å; I113-L144 HydrophobicContact CD1-CD1 3.79Å; Q141-L144 WeakPolarHBondContact O-CB 3.47Å; Q141-L144 PolarHBondContact O-N 2.96Å; Y142-L144 VanDerWaalsContact C-N 3.34Å; L144-D148 VanDerWaalsContact CA-OD2 3.32Å; L144-D148 WeakPolarHBondContact CA-OD2 3.27Å; L144-D148 HydrophobicContact CD2-CB 4.39Å; L144-I150 HydrophobicContact CD1-CD1 4.48Å; L144-I150 HydrophobicContact CD1-CG2 4.36Å; L144-I150 HydrophobicContact CD2-CG2 3.65Å; L144-F170 HydrophobicContact CD1-CD2 3.81Å; L144-F170 HydrophobicContact CD1-CE2 3.96Å; L144-F170 HydrophobicContact CD1-CG 4.41Å; L144-F170 HydrophobicContact CD2-CE2 3.97Å; L144-F170 HydrophobicContact CD2-CZ 4.4Å; L144-F170 HydrophobicContact CG-CE2 4.46Å; L144-C173 HydrophobicContact CD2-CB 4.47Å
145K84.6Confident74.6Confident140 Ų14079.8 Ų79.861%0.60937%0.368SS*.  trans-118.6156179.3-64.3179.9-176.9179.80109.9V105 F147 D148V105-K145 WeakPolarHBondContact CB-O 3.21Å; V105-K145 VanDerWaalsContact CG1-O 3.31Å; V105-K145 WeakPolarHBondContact CG1-O 3.45Å; K145-F147 PolarHBondContact O-N 3.07Å; K145-D148 PolarHBondContact N-OD2 2.56Å; K145-D148 WeakPolarHBondContact O-CB 3.44Å; K145-D148 PolarHBondContact O-N 2.83Å
146P88.5Confident77.1Confident27 Ų2775 Ų7518%0.17535%0.349CS..THydrogen-bonded Turntrans-50.7138.8166-26.236.6000111.1V105 V108 D148V105-P146 WeakPolarHBondContact O-CA 3.44Å; V108-P146 HydrophobicContact CG2-CG 4.48Å; P146-D148 VanDerWaalsContact C-N 3.34Å
147F88.8Confident79.3Confident76 Ų7669.3 Ų69.333%0.33333%0.326SS..THydrogen-bonded Turntrans728.7-176.4-40.5-73.7000116.8V105 K145 P177V105-F147 PolarHBondContact O-N 3.37Å; K145-F147 PolarHBondContact O-N 3.07Å; F147-P177 HydrophobicContact CB-CB 3.82Å; F147-P177 HydrophobicContact CB-CG 4.08Å
148D89.8Confident81.3Confident4 Ų462.3 Ų62.32%0.02130%0.295CS..  trans-65.5134.5160.2-72.1-21.3000109.8I104 V105 L144 K145 P146 I150 S175 K176 P177I104-D148 WeakPolarHBondContact CA-O 3.48Å; V105-D148 HydrophobicContact CB-CB 4.45Å; V105-D148 HydrophobicContact CG2-CB 4.14Å; V105-D148 PolarHBondContact N-O 2.91Å; L144-D148 VanDerWaalsContact CA-OD2 3.32Å; L144-D148 WeakPolarHBondContact CA-OD2 3.27Å; L144-D148 HydrophobicContact CD2-CB 4.39Å; K145-D148 PolarHBondContact N-OD2 2.56Å; K145-D148 WeakPolarHBondContact O-CB 3.44Å; K145-D148 PolarHBondContact O-N 2.83Å; P146-D148 VanDerWaalsContact C-N 3.34Å; D148-I150 HydrophobicContact CB-CG2 4.32Å; D148-S175 CarbonylContact C-O 3.59Å; D148-S175 WeakPolarHBondContact CA-O 3.4Å; D148-K176 WeakPolarHBondContact OD1-CA 3.49Å; D148-P177 WeakPolarHBondContact OD1-CD 3.44Å
149K91.8Very high82.6Confident48 Ų4858.6 Ų58.621%0.20928%0.28CS..EExtended strand (participates in β ladder)trans-87132163.5-157.2-170.6-164.5-165.80108.8D102 A103 I104 E118 L174 S175D102-K149 VanDerWaalsContact OD2-CE 3.3Å; D102-K149 WeakPolarHBondContact OD2-CE 3.35Å; D102-K149 IonicContact OD2-NZ 3.36Å; D102-K149 PolarHBondContact OD2-NZ 3.43Å; A103-K149 WeakPolarHBondContact O-CA 3.46Å; A103-K149 WeakPolarHBondContact O-CG 3.44Å; I104-K149 HydrophobicContact CG1-CG 4.27Å; E118-K149 IonicContact OE1-NZ 2.72Å; E118-K149 PolarHBondContact OE1-NZ 3.22Å; K149-L174 HydrophobicContact CB-CB 4.35Å; K149-L174 HydrophobicContact CD-CD1 4.12Å; K149-L174 HydrophobicContact CG-CD1 4.25Å; K149-L174 PolarHBondContact O-N 2.84Å; K149-S175 WeakPolarHBondContact CB-OG 3.35Å; K149-S175 PolarHBondContact N-O 3.05Å; K149-S175 PolarHBondContact O-N 2.88Å
150I92.4Very high83.1Confident0 Ų057 Ų570%028%0.277CS..EExtended strand (participates in β ladder)trans-135.5160.2-175.759.7168.8000110.5A103 V105 I126 L144 D148 V152 F170 E172 C173A103-I150 HydrophobicContact CB-CG1 4.38Å; A103-I150 PolarHBondContact N-O 3.29Å; A103-I150 WeakPolarHBondContact O-CG1 3.3Å; A103-I150 PolarHBondContact O-N 3Å; V105-I150 HydrophobicContact CG2-CD1 3.76Å; V105-I150 HydrophobicContact CG2-CG1 4.16Å; V105-I150 HydrophobicContact CG2-CG2 4.08Å; I126-I150 HydrophobicContact CD1-CD1 3.58Å; L144-I150 HydrophobicContact CD1-CD1 4.48Å; L144-I150 HydrophobicContact CD1-CG2 4.36Å; L144-I150 HydrophobicContact CD2-CG2 3.65Å; D148-I150 HydrophobicContact CB-CG2 4.32Å; I150-V152 HydrophobicContact CD1-CG2 3.6Å; I150-V152 HydrophobicContact CG1-CG2 3.89Å; I150-F170 HydrophobicContact CB-CD2 4.17Å; I150-F170 HydrophobicContact CB-CE2 4Å; I150-F170 HydrophobicContact CD1-CD2 4.25Å; I150-F170 HydrophobicContact CG2-CD2 4.21Å; I150-F170 HydrophobicContact CG2-CE2 3.74Å; I150-E172 CarbonylContact C-O 3.52Å; I150-E172 VanDerWaalsContact CA-O 3.24Å; I150-E172 WeakPolarHBondContact CA-O 3.27Å; I150-E172 WeakPolarHBondContact CB-O 3.4Å; I150-C173 HydrophobicContact CG2-CB 4.42Å
151R93.5Very high82.8Confident66 Ų6664.9 Ų64.925%0.24931%0.306CS..EExtended strand (participates in β ladder)trans-104.4138.8163.5-169.8164.5-66.2131.216.8110.1E100 D102 M171 E172 L174E100-R151 HydrophobicContact CB-CG 4.24Å; D102-R151 IonicContact OD1-CZ 3.34Å; D102-R151 IonicContact OD1-NE 2.92Å; D102-R151 PolarHBondContact OD1-NE 2.89Å; D102-R151 IonicContact OD1-NH2 2.87Å; D102-R151 PolarHBondContact OD1-NH2 3.37Å; D102-R151 IonicContact OD2-NH2 3.94Å; R151-M171 HydrophobicContact CB-CB 4.47Å; R151-M171 HydrophobicContact CG-SD 4.06Å; R151-M171 PolarHBondContact O-N 3.4Å; R151-E172 HydrophobicContact CB-CG 3.82Å; R151-E172 IonicContact CZ-OE1 2.67Å; R151-E172 PolarHBondContact N-O 2.72Å; R151-E172 IonicContact NH1-OE1 2.86Å; R151-E172 PolarHBondContact NH1-OE1 2.81Å; R151-E172 IonicContact NH2-OE1 3.93Å; R151-L174 HydrophobicContact CB-CD1 4.3Å
152V92.6Very high82.7Confident0 Ų065.6 Ų65.60%032%0.323CS..EExtended strand (participates in β ladder)trans-132.7135-175.3-165.90000109.1V101 A103 I124 I126 I150 D169V101-V152 PolarHBondContact N-O 2.81Å; V101-V152 PolarHBondContact O-N 3.38Å; A103-V152 HydrophobicContact CB-CG2 4.21Å; I124-V152 HydrophobicContact CD1-CB 4.47Å; I124-V152 HydrophobicContact CG2-CG1 3.97Å; I126-V152 HydrophobicContact CD1-CG1 3.97Å; I126-V152 HydrophobicContact CD1-CG2 3.77Å; I126-V152 HydrophobicContact CG1-CG1 4Å; I150-V152 HydrophobicContact CD1-CG2 3.6Å; I150-V152 HydrophobicContact CG1-CG2 3.89Å; V152-D169 CarbonylContact C-O 3.59Å; V152-D169 WeakPolarHBondContact CA-O 3.38Å; V152-D169 WeakPolarHBondContact CG1-O 3.46Å
153K93.8Very high82.7Confident87 Ų8763.8 Ų63.838%0.37832%0.324SS..EExtended strand (participates in β ladder)trans-96124.5175.3-171.6165.3-172.2157.50110.1G98 L99 T155 G168 D169 M171G98-K153 WeakPolarHBondContact O-CE 3.34Å; L99-K153 WeakPolarHBondContact O-CA 3.49Å; K153-T155 PolarHBondContact O-N 2.95Å; K153-G168 CarbonylContact O-C 3.53Å; K153-G168 WeakPolarHBondContact O-CA 3.43Å; K153-D169 PolarHBondContact N-O 3.43Å; K153-D169 PolarHBondContact O-N 2.99Å; K153-M171 HydrophobicContact CB-CG 4.06Å; K153-M171 HydrophobicContact CB-SD 3.82Å
154L93.5Very high82.4Confident2 Ų258.2 Ų58.21%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-68.3124.2-179-59.9-170.1000111.4P95 G98 L99 V101 I124 L166P95-L154 HydrophobicContact CB-CD1 3.78Å; G98-L154 PolarHBondContact N-O 3.03Å; L99-L154 HydrophobicContact CB-CD1 4.16Å; L99-L154 HydrophobicContact CB-CG 4.32Å; L99-L154 HydrophobicContact CD2-CD1 4.16Å; L99-L154 HydrophobicContact CG-CD1 4.49Å; L99-L154 PolarHBondContact O-N 2.96Å; V101-L154 HydrophobicContact CG2-CD1 4.27Å; V101-L154 HydrophobicContact CG2-CD2 4.27Å; V101-L154 HydrophobicContact CG2-CG 4.11Å; I124-L154 HydrophobicContact CD1-CD2 3.91Å; I124-L154 HydrophobicContact CG1-CD2 4.23Å; I124-L154 HydrophobicContact CG2-CD2 4.42Å; L154-L166 HydrophobicContact CD1-CD1 4.03Å; L154-L166 HydrophobicContact CD2-CB 4.16Å; L154-L166 HydrophobicContact CD2-CD1 4.08Å
155T91.9Very high81.8Confident64 Ų6461.2 Ų61.239%0.39332%0.316SS..EExtended strand (participates in β ladder)trans-117.5-22.2-178.150.20000113.6K153 Q167 G168 D169K153-T155 PolarHBondContact O-N 2.95Å; T155-Q167 PolarHBondContact N-O 3.33Å; T155-G168 WeakPolarHBondContact OG1-CA 3.4Å; T155-D169 HydrophobicContact CG2-CB 4.16Å; T155-D169 VanDerWaalsContact CG2-CG 3.49Å; T155-D169 PolarHBondContact OG1-OD1 3.24Å
156Q90.4Very high82Confident99 Ų9954.6 Ų54.646%0.46329%0.287SS..EExtended strand (participates in β ladder)trans-142.7145.8167.3-163.4-179.7-3.600110.7Q167Q156-Q167 HydrophobicContact CB-CB 3.92Å; Q156-Q167 HydrophobicContact CB-CG 4.18Å; Q156-Q167 PolarHBondContact N-O 3.25Å; Q156-Q167 VanDerWaalsContact N-O 3.16Å; Q156-Q167 PolarHBondContact O-N 2.98Å
157I87.2Confident82.1Confident43 Ų4356.5 Ų56.522%0.22129%0.294CS..EExtended strand (participates in β ladder)trans-128116.2177.7-61.3162.4000107P95 H96 L97 N159 L166P95-I157 VanDerWaalsContact C-CD1 3.49Å; P95-I157 HydrophobicContact CB-CD1 3.97Å; P95-I157 HydrophobicContact CB-CG1 4.19Å; P95-I157 HydrophobicContact CB-CG2 4.33Å; P95-I157 HydrophobicContact CG-CG2 3.98Å; P95-I157 WeakPolarHBondContact O-CD1 3.39Å; H96-I157 VanDerWaalsContact C-CD1 3.49Å; H96-I157 VanDerWaalsContact CA-CD1 3.45Å; L97-I157 HydrophobicContact CD2-CD1 3.96Å; L97-I157 HydrophobicContact CD2-CG1 4.14Å; L97-I157 HydrophobicContact CG-CD1 4.35Å; I157-N159 WeakPolarHBondContact CG2-OD1 3.19Å; I157-L166 HydrophobicContact CB-CD2 4.32Å; I157-L166 HydrophobicContact CG1-CD2 4.08Å; I157-L166 HydrophobicContact CG2-CD2 3.95Å
158D82.8Confident82.1Confident59 Ų5952.9 Ų52.932%0.31628%0.278SS..EExtended strand (participates in β ladder)trans-113111.3172.1-178.85.1000109.5N160 P164 V165D158-N160 VanDerWaalsContact CG-ND2 3.25Å; D158-N160 PolarHBondContact O-N 2.83Å; D158-N160 WeakPolarHBondContact OD1-CB 3.44Å; D158-N160 VanDerWaalsContact OD1-CG 3.26Å; D158-N160 PolarHBondContact OD1-N 3.41Å; D158-N160 VanDerWaalsContact OD1-N 3.07Å; D158-N160 PolarHBondContact OD1-ND2 3.48Å; D158-N160 PolarHBondContact OD2-ND2 2.85Å; D158-P164 CarbonylContact O-C 3.59Å; D158-P164 WeakPolarHBondContact O-CA 3.48Å; D158-V165 HydrophobicContact CB-CB 4.39Å; D158-V165 PolarHBondContact N-O 3Å; D158-V165 VanDerWaalsContact N-O 3.07Å; D158-V165 PolarHBondContact O-N 3.03Å
159N75.1Confident82.2Confident73 Ų7356.5 Ų56.539%0.3930%0.297SS..  trans-88.927.8-178.4-67.7-28.8000112.7F35 I157F35-N159 HydrophobicContact CE1-CB 4.25Å; F35-N159 HydrophobicContact CE2-CB 4.19Å; F35-N159 HydrophobicContact CZ-CB 4.05Å; I157-N159 WeakPolarHBondContact CG2-OD1 3.19Å
160N64.4Low82Confident92 Ų9255.7 Ų55.749%0.49229%0.294SS..  trans-55.2146.3179.7-101.9-47.7000113.7D158 G162 S163D158-N160 VanDerWaalsContact CG-ND2 3.25Å; D158-N160 PolarHBondContact O-N 2.83Å; D158-N160 WeakPolarHBondContact OD1-CB 3.44Å; D158-N160 VanDerWaalsContact OD1-CG 3.26Å; D158-N160 PolarHBondContact OD1-N 3.41Å; D158-N160 VanDerWaalsContact OD1-N 3.07Å; D158-N160 PolarHBondContact OD1-ND2 3.48Å; D158-N160 PolarHBondContact OD2-ND2 2.85Å; N160-G162 PolarHBondContact O-N 3.46Å; N160-S163 PolarHBondContact O-N 3.28Å
161F53.7Low81.8Confident215 Ų21559.4 Ų59.494%0.94331%0.312SS*.THydrogen-bonded Turntrans-49.399-161.9-68.8-92.7000115.5
162G58.7Low81.5Confident53 Ų5360.2 Ų60.255%0.54632%0.319SS..THydrogen-bonded Turntrans117-15.9163.800000116.3N160N160-G162 PolarHBondContact O-N 3.46Å
163S64Low81.2Confident58 Ų5862 Ų6241%0.40633%0.331SS..SBendtrans-159.2123.7172.7-690000109.9N160 V165N160-S163 PolarHBondContact O-N 3.28Å; S163-V165 PolarHBondContact O-N 3.33Å
164P68.5Low80.9Confident4 Ų460.8 Ų60.83%0.02633%0.328CS..  trans-68119.8178.929-33.9000109.9V42 V122 D158 L166V42-P164 HydrophobicContact CG2-CG 3.69Å; V122-P164 HydrophobicContact CG2-CG 4.25Å; D158-P164 CarbonylContact O-C 3.59Å; D158-P164 WeakPolarHBondContact O-CA 3.48Å; P164-L166 HydrophobicContact CB-CD2 4.24Å; P164-L166 PolarHBondContact O-N 3.24Å
165V72.6Confident80.4Confident76 Ų7663.7 Ų63.746%0.46135%0.349SS..EExtended strand (participates in β ladder)trans-89.4100.5173.8-179.10000107.1D158 S163D158-V165 HydrophobicContact CB-CB 4.39Å; D158-V165 PolarHBondContact N-O 3Å; D158-V165 VanDerWaalsContact N-O 3.07Å; D158-V165 PolarHBondContact O-N 3.03Å; S163-V165 PolarHBondContact O-N 3.33Å
166L88.4Confident79.7Confident0 Ų066.1 Ų66.10%035%0.354CS..EExtended strand (participates in β ladder)trans-87139.2177.6-54-176.3000109.5F93 P95 V122 M123 I124 S125 L154 I157 P164F93-L166 HydrophobicContact CE1-CD1 4.14Å; F93-L166 HydrophobicContact CZ-CD1 4.43Å; P95-L166 HydrophobicContact CB-CD1 4.32Å; P95-L166 HydrophobicContact CB-CD2 3.8Å; P95-L166 HydrophobicContact CG-CD2 4.08Å; V122-L166 HydrophobicContact CG1-CD1 3.54Å; V122-L166 HydrophobicContact CG1-CG 4.39Å; M123-L166 PolarHBondContact O-N 2.88Å; I124-L166 CarbonylContact C-O 3.58Å; I124-L166 WeakPolarHBondContact CA-O 3.47Å; I124-L166 HydrophobicContact CB-CB 4.47Å; I124-L166 HydrophobicContact CG1-CB 4.01Å; I124-L166 HydrophobicContact CG1-CD1 4.12Å; I124-L166 HydrophobicContact CG2-CB 4.48Å; S125-L166 PolarHBondContact N-O 3.22Å; L154-L166 HydrophobicContact CD1-CD1 4.03Å; L154-L166 HydrophobicContact CD2-CB 4.16Å; L154-L166 HydrophobicContact CD2-CD1 4.08Å; I157-L166 HydrophobicContact CB-CD2 4.32Å; I157-L166 HydrophobicContact CG1-CD2 4.08Å; I157-L166 HydrophobicContact CG2-CD2 3.95Å; P164-L166 HydrophobicContact CB-CD2 4.24Å; P164-L166 PolarHBondContact O-N 3.24Å
167Q89.8Confident78.6Confident67 Ų6763.8 Ų63.831%0.31335%0.347SS..EExtended strand (participates in β ladder)trans-111.8148.4161.7-49.5-171.833.600109.6S125 T155 Q156S125-Q167 VanDerWaalsContact O-CA 3.28Å; S125-Q167 WeakPolarHBondContact O-CA 3.32Å; T155-Q167 PolarHBondContact N-O 3.33Å; Q156-Q167 HydrophobicContact CB-CB 3.92Å; Q156-Q167 HydrophobicContact CB-CG 4.18Å; Q156-Q167 PolarHBondContact N-O 3.25Å; Q156-Q167 VanDerWaalsContact N-O 3.16Å; Q156-Q167 PolarHBondContact O-N 2.98Å
168G90Very high77.1Confident0 Ų068.5 Ų68.50%037%0.372CS..EExtended strand (participates in β ladder)trans-160.3157.6179.600000113.2S125 I126 K153 T155S125-G168 PolarHBondContact O-N 3.03Å; I126-G168 WeakPolarHBondContact CA-O 3.27Å; I126-G168 WeakPolarHBondContact CG1-O 3.37Å; I126-G168 WeakPolarHBondContact CG2-O 3.36Å; K153-G168 CarbonylContact O-C 3.53Å; K153-G168 WeakPolarHBondContact O-CA 3.43Å; T155-G168 WeakPolarHBondContact OG1-CA 3.4Å
169D90.1Very high75.7Confident80 Ų8070.2 Ų70.243%0.42839%0.388SS..EExtended strand (participates in β ladder)trans-94.4133.1-179.4-66.52.5000109.3V152 K153 T155 M171V152-D169 CarbonylContact C-O 3.59Å; V152-D169 WeakPolarHBondContact CA-O 3.38Å; V152-D169 WeakPolarHBondContact CG1-O 3.46Å; K153-D169 PolarHBondContact N-O 3.43Å; K153-D169 PolarHBondContact O-N 2.99Å; T155-D169 HydrophobicContact CG2-CB 4.16Å; T155-D169 VanDerWaalsContact CG2-CG 3.49Å; T155-D169 PolarHBondContact OG1-OD1 3.24Å; D169-M171 PolarHBondContact O-N 2.68Å
170F88.6Confident74.4Confident32 Ų3275.3 Ų75.314%0.1441%0.407CS..EExtended strand (participates in β ladder)trans-61.7132174.2169.3-98.8000110.9I126 F139 Q141 L144 I150 E172 C173I126-F170 HydrophobicContact CD1-CB 4.22Å; I126-F170 HydrophobicContact CG2-CB 4.23Å; F139-F170 VanDerWaalsContact O-CE1 3.29Å; F139-F170 WeakPolarHBondContact O-CE1 3.31Å; Q141-F170 HydrophobicContact CG-CB 3.86Å; Q141-F170 HydrophobicContact CG-CD1 4.01Å; Q141-F170 HydrophobicContact CG-CG 4.1Å; L144-F170 HydrophobicContact CD1-CD2 3.81Å; L144-F170 HydrophobicContact CD1-CE2 3.96Å; L144-F170 HydrophobicContact CD1-CG 4.41Å; L144-F170 HydrophobicContact CD2-CE2 3.97Å; L144-F170 HydrophobicContact CD2-CZ 4.4Å; L144-F170 HydrophobicContact CG-CE2 4.46Å; I150-F170 HydrophobicContact CB-CD2 4.17Å; I150-F170 HydrophobicContact CB-CE2 4Å; I150-F170 HydrophobicContact CD1-CD2 4.25Å; I150-F170 HydrophobicContact CG2-CD2 4.21Å; I150-F170 HydrophobicContact CG2-CE2 3.74Å; F170-E172 VanDerWaalsContact CE2-O 3.27Å; F170-E172 WeakPolarHBondContact CE2-O 3.27Å; F170-E172 VanDerWaalsContact CZ-C 3.43Å; F170-C173 HydrophobicContact CE2-CB 4.39Å; F170-C173 HydrophobicContact CZ-CB 4.25Å
171M87Confident73.8Confident78 Ų7879.4 Ų79.438%0.38442%0.417SS..EExtended strand (participates in β ladder)trans-104.2-61.8174.1-61.5179.468.500111.8E100 R151 K153 D169E100-M171 HydrophobicContact CB-SD 4.33Å; E100-M171 VanDerWaalsContact CD-CE 3.47Å; E100-M171 VanDerWaalsContact CD-SD 3.59Å; E100-M171 HydrophobicContact CG-CE 4.28Å; E100-M171 HydrophobicContact CG-SD 3.73Å; E100-M171 WeakPolarHBondContact OE1-CE 3.23Å; R151-M171 HydrophobicContact CB-CB 4.47Å; R151-M171 HydrophobicContact CG-SD 4.06Å; R151-M171 PolarHBondContact O-N 3.4Å; K153-M171 HydrophobicContact CB-CG 4.06Å; K153-M171 HydrophobicContact CB-SD 3.82Å; D169-M171 PolarHBondContact O-N 2.68Å
172E87.4Confident73.7Confident83 Ų8371.5 Ų71.539%0.38839%0.389SS..EExtended strand (participates in β ladder)trans-149.5158.4-172.959.2172179.700112.7I150 R151 F170 L174I150-E172 CarbonylContact C-O 3.52Å; I150-E172 VanDerWaalsContact CA-O 3.24Å; I150-E172 WeakPolarHBondContact CA-O 3.27Å; I150-E172 WeakPolarHBondContact CB-O 3.4Å; R151-E172 HydrophobicContact CB-CG 3.82Å; R151-E172 IonicContact CZ-OE1 2.67Å; R151-E172 PolarHBondContact N-O 2.72Å; R151-E172 IonicContact NH1-OE1 2.86Å; R151-E172 PolarHBondContact NH1-OE1 2.81Å; R151-E172 IonicContact NH2-OE1 3.93Å; F170-E172 VanDerWaalsContact CE2-O 3.27Å; F170-E172 WeakPolarHBondContact CE2-O 3.27Å; F170-E172 VanDerWaalsContact CZ-C 3.43Å; E172-L174 HydrophobicContact CG-CD2 4.01Å; E172-L174 VanDerWaalsContact OE1-CD2 3.26Å; E172-L174 WeakPolarHBondContact OE1-CD2 3.39Å
173C86.6Confident73.1Confident38 Ų3875.6 Ų75.626%0.25739%0.393SS..EExtended strand (participates in β ladder)trans-101.6111.5173.31790000109.4L144 I150 F170L144-C173 HydrophobicContact CD2-CB 4.47Å; I150-C173 HydrophobicContact CG2-CB 4.42Å; F170-C173 HydrophobicContact CE2-CB 4.39Å; F170-C173 HydrophobicContact CZ-CB 4.25Å
174L87.2Confident72.6Confident60 Ų6081 Ų8131%0.31441%0.409SS..EExtended strand (participates in β ladder)trans-80.8-38.2-173.9-60171.3000111.8D102 K149 R151 E172D102-L174 HydrophobicContact CB-CD1 4.46Å; D102-L174 WeakPolarHBondContact OD1-CD1 3.43Å; D102-L174 WeakPolarHBondContact OD2-CD1 3.44Å; K149-L174 HydrophobicContact CB-CB 4.35Å; K149-L174 HydrophobicContact CD-CD1 4.12Å; K149-L174 HydrophobicContact CG-CD1 4.25Å; K149-L174 PolarHBondContact O-N 2.84Å; R151-L174 HydrophobicContact CB-CD1 4.3Å; E172-L174 HydrophobicContact CG-CD2 4.01Å; E172-L174 VanDerWaalsContact OE1-CD2 3.26Å; E172-L174 WeakPolarHBondContact OE1-CD2 3.39Å
175S84.3Confident71.8Confident63 Ų6386.8 Ų86.844%0.44144%0.436SS..EExtended strand (participates in β ladder)trans-157.5148.2172.664.30000111.6D148 K149D148-S175 CarbonylContact C-O 3.59Å; D148-S175 WeakPolarHBondContact CA-O 3.4Å; K149-S175 WeakPolarHBondContact CB-OG 3.35Å; K149-S175 PolarHBondContact N-O 3.05Å; K149-S175 PolarHBondContact O-N 2.88Å
176K76.8Confident70.7Confident116 Ų11689.1 Ų89.150%0.50444%0.438SS..PPolyproline II helixtrans-99.7145.8172-64.8173.3-178.2166.60108.3D148 L178D148-K176 WeakPolarHBondContact OD1-CA 3.49Å; K176-L178 PolarHBondContact O-N 3.07Å
177P68.3Low68.8Low49 Ų4996.7 Ų96.732%0.31847%0.47SS..PPolyproline II helixtrans-65.9130-174.326.9-33.7000110.1F147 D148 S179F147-P177 HydrophobicContact CB-CB 3.82Å; F147-P177 HydrophobicContact CB-CG 4.08Å; D148-P177 WeakPolarHBondContact OD1-CD 3.44Å; P177-S179 PolarHBondContact O-N 3.25Å
178L54.1Low66.9Low143 Ų143101.6 Ų101.675%0.74949%0.493SS*.PPolyproline II helixtrans-57.4129.9165-64.7173.7000108K176 K180K176-L178 PolarHBondContact O-N 3.07Å; L178-K180 PolarHBondContact O-N 3.49Å
179S53.3Low65Low94 Ų94110 Ų11066%0.65753%0.532SS*.THydrogen-bonded Turntrans-57-9-166.550.30000116.3P177 Y181 S182P177-S179 PolarHBondContact O-N 3.25Å; S179-Y181 PolarHBondContact O-N 3.47Å; S179-S182 PolarHBondContact O-OG 2.94Å
180K49.3Very low62.7Low180 Ų180110.6 Ų110.678%0.78354%0.539SS*.THydrogen-bonded Turntrans-66.6-14-178.2-59.4-175.8178.8-178.40114.8L178L178-K180 PolarHBondContact O-N 3.49Å
181Y50.7Low60.1Low179 Ų179115.6 Ų115.670%0.70257%0.567SS**THydrogen-bonded Turntrans-105.7-22.2-177.8-80.2-84000115.7S179S179-Y181 PolarHBondContact O-N 3.47Å
182S51.2Low57.7Low49 Ų49118.4 Ų118.434%0.34359%0.592SS.*Hα-helixtrans-67.2-42-174.250.30000113S179 K184 Y186S179-S182 PolarHBondContact O-OG 2.94Å; S182-K184 VanDerWaalsContact C-N 3.33Å; S182-K184 PolarHBondContact O-N 2.9Å; S182-Y186 WeakPolarHBondContact O-CD2 3.45Å; S182-Y186 PolarHBondContact O-N 3.38Å
183E47.1Very low55.3Low138 Ų138119 Ų11965%0.64561%0.605SS**Hα-helixtrans-65.5-30.5-173-62.5-164.6126.300114.6K187E183-K187 WeakPolarHBondContact O-CG 3.43Å
184K52.6Low53Low171 Ų171121.8 Ų121.874%0.74363%0.63SS**Hα-helixtrans-79.5-27-171.7-71.4-169.5176.6-175.50114.1S182S182-K184 VanDerWaalsContact C-N 3.33Å; S182-K184 PolarHBondContact O-N 2.9Å
185Q52.3Low50.6Low126 Ų126125.9 Ų125.959%0.58966%0.658SS**Hα-helixtrans-96-32177.3-68.7-165.8-4.700113.2K187 H188Q185-K187 VanDerWaalsContact C-N 3.29Å; Q185-K187 PolarHBondContact O-N 3.05Å; Q185-H188 PolarHBondContact O-N 3.33Å
186Y49.9Very low48.1Very low125 Ų125126.3 Ų126.349%0.4967%0.673SS.*Hα-helixtrans-62.4-34.7178-91.2-97.1000113S182 H188 Q189 T190S182-Y186 WeakPolarHBondContact O-CD2 3.45Å; S182-Y186 PolarHBondContact O-N 3.38Å; Y186-H188 PolarHBondContact O-N 3.44Å; Y186-Q189 PolarHBondContact O-N 2.99Å; Y186-Q189 VanDerWaalsContact O-N 3.1Å; Y186-T190 PolarHBondContact O-N 2.87Å; Y186-T190 PolarHBondContact O-OG1 3.28Å
187K48.7Very low46.2Very low159 Ų159128.7 Ų128.769%0.69169%0.69SS**THydrogen-bonded Turntrans-61-9.5176.4-76.2-178.5177.5179.10115.2E183 Q185E183-K187 WeakPolarHBondContact O-CG 3.43Å; Q185-K187 VanDerWaalsContact C-N 3.29Å; Q185-K187 PolarHBondContact O-N 3.05Å
188H49.8Very low44.7Very low171 Ų171134 Ų13479%0.79272%0.716SS**THydrogen-bonded Turntrans-110.17.3176.7-71-67.2000114.7Q185 Y186Q185-H188 PolarHBondContact O-N 3.33Å; Y186-H188 PolarHBondContact O-N 3.44Å
189Q50.1Low43.8Very low175 Ų175135 Ų13582%0.81872%0.722SS**THydrogen-bonded Turntrans-126.2-10.3174.8-73.5-168.8-0.900115.3Y186 N191Y186-Q189 PolarHBondContact O-N 2.99Å; Y186-Q189 VanDerWaalsContact O-N 3.1Å; Q189-N191 PolarHBondContact O-N 3.09Å
190T40.7Very low43.3Very low93 Ų93138 Ų13857%0.57173%0.729SS**SBendtrans-94.384.8179.453.80000113.2Y186Y186-T190 PolarHBondContact O-N 2.87Å; Y186-T190 PolarHBondContact O-OG1 3.28Å
191N35.5Very low42.5Very low137 Ų137138.4 Ų138.473%0.73373%0.731SS**  trans61.5143156.7-55.4-14.2000117.6Q189Q189-N191 PolarHBondContact O-N 3.09Å
192P35.6Very low41.5Very low138 Ų138134.2 Ų134.290%0.89673%0.725SS**  -137.4120.682.733.8-18.6000113.5
193S37.7Very low40.5Very low95 Ų95137 Ų13766%0.66474%0.74SS**  trans-127.1100.817359.50000110.5
194A37.6Very low39.8Very low96 Ų96139.4 Ų139.479%0.79375%0.749SS**  trans58.1128.5178.700000115.1
195T37.2Very low39Very low146 Ų146139.7 Ų139.790%0.89675%0.75SS**  -164.1153.353.6-61.80000109.9
196G32.4Very low38Very low73 Ų73140 Ų14075%0.75376%0.76SS**  trans118.2117.7166.800000113.5
197L36.8Very low37.4Very low165 Ų165139.2 Ų139.286%0.86477%0.773SS**  trans-77.7144.1164.8-71.7131.7000109.4
198N36.7Very low37.1Very low160 Ų160139 Ų13986%0.85678%0.779SS**  trans-167.2138.3137.1-96.3-19000109.4I200N198-I200 PolarHBondContact O-N 3.44Å
199D35.2Very low36.8Very low165 Ų165138.2 Ų138.288%0.88278%0.781SS**  trans-76.6104.6-174.3-77.9-72.4000112.6
200I42.3Very low36.5Very low158 Ų158135.7 Ų135.781%0.8178%0.778SS**  trans-130.2102.6158.2-55.3-177.7000109.7N198N198-I200 PolarHBondContact O-N 3.44Å
201K33.1Very low36.6Very low187 Ų187138 Ų13881%0.81379%0.787SS**  trans-84.3129.9171.2-172.7-177.6-169.7176.20109.3
202P29Very low36.7Very low91 Ų91136.8 Ų136.859%0.59179%0.789SS**  trans-132.3146.9139.836.3-26.9000113.2F204P202-F204 HydrophobicContact CB-CD2 4.19Å; P202-F204 HydrophobicContact CB-CE2 3.76Å; P202-F204 HydrophobicContact CG-CD2 4.41Å; P202-F204 HydrophobicContact CG-CE2 4.1Å
203V30.9Very low36.8Very low108 Ų108135.6 Ų135.666%0.65578%0.782SS**  trans-99116173.9174.10000109.1K205V203-K205 HydrophobicContact CG1-CB 4.31Å
204F32.6Very low36.7Very low188 Ų188140.4 Ų140.483%0.82579%0.792SS**  trans-12989.9162-62.6-80.1000105.3P202P202-F204 HydrophobicContact CB-CD2 4.19Å; P202-F204 HydrophobicContact CB-CE2 3.76Å; P202-F204 HydrophobicContact CG-CD2 4.41Å; P202-F204 HydrophobicContact CG-CE2 4.1Å
205K34.1Very low36.7Very low178 Ų178143.7 Ų143.777%0.77479%0.794SS**  56.5105.261.1-150.7-178.8-174.4-173.30111.2V203V203-K205 HydrophobicContact CG1-CB 4.31Å
206V31.5Very low36.6Very low132 Ų132142.8 Ų142.880%0.879%0.788SS**  trans-59.5140171179.10000109.6
207S38.7Very low36.9Very low109 Ų109145 Ų14576%0.76279%0.789SS**  trans-142.1106.6164.452.20000108.5
208D41.3Very low37Very low153 Ų153142 Ų14282%0.81878%0.782SS**  trans-62.7156.5152.8-68.7-67.7000109.3
209D43.8Very low37.1Very low156 Ų156143 Ų14383%0.83478%0.779SS**SBendtrans-67.7158.7-179-81.4-58.8000113.7
210T44.6Very low37.4Very low121 Ų121142.1 Ų142.174%0.74277%0.769SS**  trans101116.7154.4-410000118.1
211N41.1Very low37.3Very low143 Ų143141.4 Ų141.477%0.76576%0.763SS**  trans79.981.4156.3-66.8-11.2000122.6
212S39.2Very low37.6Very low110 Ų110138.8 Ų138.877%0.76976%0.758SS**  102.8149.6111.680.10000121.9
213C36Very low38.2Very low113 Ų113139.5 Ų139.576%0.76477%0.765SS**  trans74.699161.8-68.70000121.4
214K37.5Very low38.7Very low197 Ų197139.2 Ų139.286%0.85777%0.767SS**  33.7138.1128.5-53177.3-179.1177.90118.6
215I36.7Very low39.1Very low164 Ų164137.9 Ų137.984%0.84177%0.769SS**  -153.1167.859.2-77.8173.6000112.4
216T35Very low39.6Very low127 Ų127134.9 Ų134.978%0.77977%0.768SS**  trans-69.2155.1-166.7-36.10000119.2
217P37.9Very low39.9Very low119 Ų119135 Ų13577%0.77377%0.769SS**  trans-114.1-177.3174.643.3-35.9000116.6
218S39Very low39.8Very low102 Ų102135.5 Ų135.571%0.71377%0.767SS**  trans-173.4162.5177520000110.8
219F39.9Very low39.3Very low183 Ų183132.4 Ų132.480%0.80376%0.757SS**  cis-169.1150.5-15.7-105.1-45.1000109.6
220H40.6Very low38.9Very low145 Ų145132.4 Ų132.467%0.67176%0.756SS**  trans51.7135.2162.9-72.8-80.6000120.6
221E40.6Very low38.4Very low144 Ų144131.8 Ų131.867%0.67375%0.753SS**  77.3147.550.4-73.2-174.6-177.600114.4
222N39.3Very low38.1Very low132 Ų132131.8 Ų131.871%0.70675%0.753SS**  cis-161.3174.212.9-117.8-23.6000112.7
223S40.7Very low37.8Very low106 Ų106131.8 Ų131.874%0.74175%0.753SS**  trans70.7142.5150.2150.90000120.3
224S43.4Very low38Very low101 Ų101131.4 Ų131.471%0.70675%0.749SS**  cis-161.4143.2-9-76.50000113
225D39.3Very low38Very low160 Ų160129.4 Ų129.486%0.85675%0.748SS**  trans21159.1153.4-66.8-42.8000128
226P44.4Very low38Very low115 Ų115129.6 Ų129.675%0.74775%0.745SS**  trans-121.9174.3-174.644.8-31.6000116.6
227V38.7Very low38.3Very low136 Ų136133.4 Ų133.482%0.82475%0.75SS**  trans-171.8144.1170.2128.10000106.1
228T36.5Very low38.3Very low119 Ų119134.2 Ų134.273%0.7375%0.753SS**  cis-161.6179.50.822.90000106.4
229S31.1Very low38.3Very low87 Ų87135.3 Ų135.361%0.60876%0.758SS**  cis169.8135-34.867.40000108.1
230L34.6Very low38.3Very low156 Ų156136.3 Ų136.382%0.81776%0.762SS**  trans66.6158.5171-75.173.2000116.3
231T35.1Very low38.4Very low109 Ų109136.3 Ų136.367%0.66977%0.772SS**  cis-154.1159.722.9-19.90000113.7
232N35.2Very low38.7Very low143 Ų143141 Ų14177%0.76578%0.783SS**  trans61.395150.4-62.7-17.8000123.6
233S32.8Very low38.9Very low110 Ų110144.7 Ų144.777%0.76979%0.793SS**  32.7154.8100.2-150.20000121.3
234P39.1Very low39Very low105 Ų105151.5 Ų151.568%0.68280%0.803SS**  cis-134.3174.7-47.139.4-25000113
235N38.1Very low38.8Very low155 Ų155156.2 Ų156.283%0.82981%0.81SS**  trans-160.2160.4155.7-121.2-53000117.1
236H37.5Very low39.2Very low168 Ų168156.5 Ų156.578%0.77881%0.81SS**  trans-59.3147.3-167.8-64.2-89.9000118.1
237K40.6Very low39.2Very low207 Ų207162.1 Ų162.190%0.982%0.817SS**  -174.6147.7108.9-97.1154.1-172.2171.60113.6
238T37.6Very low38.9Very low135 Ų135163.1 Ų163.183%0.82881%0.81SS**  trans-111145.7175.448.40000112.1
239P38.6Very low38.8Very low125 Ų125165.8 Ų165.881%0.81282%0.819SS**  trans-102.3146.6161.134.3-27.3000112.1
240K39.7Very low38.9Very low204 Ų204167.5 Ų167.589%0.88782%0.817SS**  trans-92136.2-176.9-60.3167.4-177.7172.20111
241V44.5Very low38.8Very low146 Ų146164.8 Ų164.889%0.88581%0.811SS**  trans-106.7136.4166.6-178.10000110
242R46.2Very low38.9Very low242 Ų242167.6 Ų167.691%0.91382%0.821SS**PPolyproline II helixtrans-85.1129.2-170.1-70.6170.4163.7158.8-8.1112.1
243K42.3Very low38.7Very low210 Ų210169.3 Ų169.391%0.91382%0.824SS**PPolyproline II helixtrans-68.2128.6163.3-66.6-175.6177.3-176.50109.7
244R44.4Very low38.9Very low249 Ų249172.6 Ų172.694%0.9483%0.828SS**PPolyproline II helixtrans-82.2148.2161.9-80.5-175.2170.7179.1-2.6109.4
245K39.2Very low38.6Very low199 Ų199174 Ų17487%0.86583%0.834SS**  trans-119.6109.1-175.2-175.2176.8-176.7176.30108.8
246I47.8Very low38.3Very low167 Ų167169.5 Ų169.586%0.85683%0.825SS**  trans-77.1147.5173-61.5176.4000108.4
247R42.9Very low38.2Very low233 Ų233168 Ų16888%0.87983%0.827SS**  trans-104.5151.2178.2-84.3-177.4167174.3-4.7111.3
248K33Very low37.8Very low157 Ų157165.9 Ų165.968%0.68383%0.825SS**  trans-46151.7174.9-100.1-168.2-179.1-159.80114E250K248-E250 VanDerWaalsContact CE-CD 3.5Å; K248-E250 WeakPolarHBondContact CE-OE1 3.13Å; K248-E250 WeakPolarHBondContact CE-OE2 3.49Å; K248-E250 IonicContact NZ-OE1 2.93Å; K248-E250 PolarHBondContact NZ-OE1 3.15Å; K248-E250 IonicContact NZ-OE2 2.62Å; K248-E250 PolarHBondContact NZ-OE2 2.93Å
249L35.3Very low37.5Very low175 Ų175163.1 Ų163.192%0.91682%0.823SS**  trans-149.981.1140.5-133.6157.7000110.6
250E32.9Very low37.1Very low122 Ų122164.4 Ų164.457%0.5782%0.823SS**  trans-76.3156.4146.5-74156.9-142.500107.1K248K248-E250 VanDerWaalsContact CE-CD 3.5Å; K248-E250 WeakPolarHBondContact CE-OE1 3.13Å; K248-E250 WeakPolarHBondContact CE-OE2 3.49Å; K248-E250 IonicContact NZ-OE1 2.93Å; K248-E250 PolarHBondContact NZ-OE1 3.15Å; K248-E250 IonicContact NZ-OE2 2.62Å; K248-E250 PolarHBondContact NZ-OE2 2.93Å
251S32.4Very low36.7Very low99 Ų99160.1 Ų160.169%0.69282%0.817SS**  cis-172.9157.4-0.942.40000107.6
252L36.7Very low36.1Very low168 Ų168158.1 Ų158.188%0.8881%0.81SS**  trans-164.3149.4149.4-111.1157.9000110.7
253E30.5Very low35.4Very low179 Ų179154.9 Ų154.984%0.83681%0.805SS**  trans-108.6-161.1-175.9-64172.997.200110.6
254E36.9Very low35.2Very low179 Ų179150.4 Ų150.484%0.83680%0.8SS**  trans80.6141.6171.7-56.2-161.9124.700117.9
255V33.1Very low34.6Very low134 Ų134145.6 Ų145.681%0.81279%0.792SS**  cis-159.6158.7-19.4119.40000108.6
256G32.9Very low34.4Very low62 Ų62144.1 Ų144.164%0.63979%0.793SS**  trans104106.3171.100000113.3
257V34.6Very low33.7Very low136 Ų136141.3 Ų141.382%0.82478%0.783SS**  cis87.3127.429.7-169.70000114.5
258L31.8Very low33.6Very low163 Ų163139.6 Ų139.685%0.85379%0.785SS**  trans-56.7156.7-168-6174.9000116.7
259G31.7Very low33.6Very low76 Ų76138.4 Ų138.478%0.78479%0.786SS**  trans-167.6130159.700000112
260N30.6Very low33.8Very low153 Ų153139.5 Ų139.582%0.81879%0.787SS**  trans-110.8176.5-174.8-72.7-16.8000112.8
261C30.1Very low34Very low114 Ų114138.1 Ų138.177%0.7779%0.791SS**  trans98100.8151.6-59.10000119.9
262S32.9Very low34.5Very low103 Ų103138.3 Ų138.372%0.7279%0.79SS**  60.9124.3114.6-52.20000123.5
263E31.4Very low34.4Very low175 Ų175136.8 Ų136.882%0.81879%0.787SS**  47.7108.7129.7-61.1-177.3115.400121.8
264S38.5Very low34.5Very low115 Ų115134.4 Ų134.480%0.80479%0.789SS**  -150130.9125.236.90000106.2
265L30.9Very low34.4Very low148 Ų148131 Ų13178%0.77579%0.785SS**  cis65.58735-121.8-177.6000112.8
266L36.3Very low34.8Very low168 Ų168131.5 Ų131.588%0.8879%0.788SS**  trans-156.2143.2138.6-109.7171.7000110.8
267T32.2Very low35.1Very low108 Ų108137.3 Ų137.366%0.66380%0.796SS**  trans-90.7155.1-177.547.90000111.8
268H40.7Very low35.1Very low198 Ų198140.2 Ų140.292%0.91780%0.797SS**  trans-146.1142.8131-118.1-77.6000111.9
269D32.3Very low35.2Very low132 Ų132140.8 Ų140.871%0.70680%0.8SS**  trans-107138.6-175.9-175.54.1000109
270E40.3Very low35.2Very low197 Ų197147.4 Ų147.492%0.92180%0.801SS**  trans-161.2143.8153.5-127.6178.6-153.400112
271S36.1Very low35.5Very low94 Ų94149.7 Ų149.766%0.65780%0.804SS**  trans-167178.7-171.170.20000109.8
272P43.2Very low35.8Very low103 Ų103151.1 Ų151.167%0.66980%0.8SS**  cis-131.1-159.6-24.222.32.2000111.7
273T34.5Very low36Very low136 Ų136154.7 Ų154.783%0.83481%0.81SS**  trans90.5116.1154.275.50000120.3
274C33.7Very low36Very low128 Ų128151.5 Ų151.587%0.86581%0.808SS**  -148144.3128.4-162.10000108.5
275S34.9Very low36Very low109 Ų109151.3 Ų151.376%0.76281%0.807SS**  trans-137.6123.6-175.266.20000112.9
276V40.3Very low36.3Very low144 Ų144150.1 Ų150.187%0.87381%0.806SS**  trans-135.9148.7174-1740000109.5
277K39.9Very low36.2Very low184 Ų184147 Ų14780%0.880%0.798SS**  trans-113163.6-161.5-59.3164.7-179.5167.50112.1
278K34Very low36.5Very low197 Ų197151.2 Ų151.286%0.85781%0.807SS**  trans65.6130.6162.2-66.2178.2171.8179.80115
279L35.1Very low36.2Very low175 Ų175149.4 Ų149.492%0.91680%0.802SS**  -150.9159.168.7-108.8155000113.2
280R31.5Very low36.4Very low214 Ų214151.1 Ų151.181%0.80881%0.811SS**  trans-121.4130.7-175.8177.1-173.9-176.4178.81.8107.9
281K36.4Very low36.3Very low202 Ų202151.8 Ų151.888%0.87881%0.81SS**  trans-145.4136.5163.7-154169-173178.30110.3
282E36.9Very low36.6Very low144 Ų144156.4 Ų156.467%0.67382%0.819SS**  trans-85.3161.5-175.7-63.8138.8132.500111.7
283N37.3Very low36.3Very low177 Ų177161.5 Ų161.595%0.94783%0.83SS**  trans-157.1108.7142-97.7-27000108.4
284S32.1Very low36.4Very low108 Ų108158.6 Ų158.676%0.75583%0.827SS**  trans-101.6144.3171.558.90000109.7
285S36.8Very low36.5Very low112 Ų112159.2 Ų159.278%0.78382%0.822SS**  trans-160.8129.8166.2-83.80000112
286T37.5Very low37.1Very low123 Ų123160.5 Ų160.576%0.75582%0.819SS**  trans32.9106.9151.359.40000118.1
287S33.5Very low37.1Very low102 Ų102161 Ų16171%0.71382%0.817SS**  cis66.7110.748.195.80000115.5
288K39.4Very low37.6Very low197 Ų197154.5 Ų154.586%0.85780%0.795SS**  trans171.689.1157.8-97.4158.5-173.7176.80107.1
289I35Very low38.5Very low159 Ų159153.6 Ų153.682%0.81579%0.793SS**  60.2103.690.7-59.2168.2000112.4
290L37.1Very low39.4Very low169 Ų169152.5 Ų152.589%0.88578%0.784SS**  trans-153.996.5148.3-114.5168.1000109.8
291K36.6Very low41Very low210 Ų210145.1 Ų145.191%0.91376%0.763SS**  trans-114.198172.2-94.7-171.3174.8-179.20109.8
292K43Very low42.3Very low192 Ų192140.4 Ų140.484%0.83575%0.751SS**  trans-165.4125.2157.1-102.7173.4179.7-177.90104.5
293K37.3Very low43.6Very low210 Ų210139.6 Ų139.691%0.91375%0.746SS**  cis59.581.244.5-159.8177.1-176.4178.90111.3
294G37Very low45.3Very low74 Ų74135.2 Ų135.276%0.76373%0.726SS**  trans-162.4124170.700000108.1
295N35.5Very low47.3Very low141 Ų141135.7 Ų135.775%0.75472%0.72SS**  trans-74.7136.7174-177.918.5000109.1
296L47.1Very low49Very low137 Ų137135.2 Ų135.272%0.71771%0.708SS**  trans-160.264.8176.3-115.2169.1000111.4S298L296-S298 PolarHBondContact O-N 2.96Å; L296-S298 VanDerWaalsContact O-N 3.12Å
297D39.6Very low50.7Low155 Ų155131.9 Ų131.983%0.82969%0.689SS**  trans-68.598.6162.4-76.4-43.2000109.8
298S52.4Low52.9Low46 Ų46130.6 Ų130.632%0.32267%0.674SS.*  trans-152.2125.9161.265.70000111.4L296 E300 T301L296-S298 PolarHBondContact O-N 2.96Å; L296-S298 VanDerWaalsContact O-N 3.12Å; S298-E300 PolarHBondContact O-N 2.88Å; S298-T301 WeakPolarHBondContact O-CB 3.29Å; S298-T301 PolarHBondContact O-N 2.95Å; S298-T301 PolarHBondContact O-OG1 3.38Å; S298-T301 PolarHBondContact OG-OG1 2.95Å
299E51.7Low54.6Low178 Ų178123.5 Ų123.583%0.83265%0.653SS**Hα-helixtrans-60.6-28-179.5-61.7-177.6112.500112.4T301 V302 H303E299-T301 PolarHBondContact O-N 3.39Å; E299-V302 WeakPolarHBondContact O-CB 3.18Å; E299-V302 PolarHBondContact O-N 3.06Å; E299-H303 PolarHBondContact O-N 2.86Å
300E54Low56.5Low153 Ų153121.4 Ų121.472%0.71564%0.642SS**Hα-helixtrans-55.5-34.3174.1-168.9170-144.600113S298 H303 T304S298-E300 PolarHBondContact O-N 2.88Å; E300-H303 PolarHBondContact O-N 2.66Å; E300-T304 PolarHBondContact O-N 3.31Å; E300-T304 PolarHBondContact O-OG1 3.44Å
301T65.2Low58.4Low59 Ų59117.7 Ų117.736%0.36262%0.623SS.*Hα-helixtrans-67.9-35.9175.6-47.50000111.6S298 E299 T304 L305S298-T301 WeakPolarHBondContact O-CB 3.29Å; S298-T301 PolarHBondContact O-N 2.95Å; S298-T301 PolarHBondContact O-OG1 3.38Å; S298-T301 PolarHBondContact OG-OG1 2.95Å; E299-T301 PolarHBondContact O-N 3.39Å; T301-T304 WeakPolarHBondContact CA-OG1 3.32Å; T301-T304 PolarHBondContact O-OG1 2.95Å; T301-T304 VanDerWaalsContact O-OG1 3.08Å; T301-L305 HydrophobicContact CG2-CD1 4.38Å; T301-L305 WeakPolarHBondContact O-CB 3.28Å; T301-L305 WeakPolarHBondContact O-CD1 3.48Å; T301-L305 VanDerWaalsContact O-CG 3.26Å; T301-L305 WeakPolarHBondContact O-CG 3.41Å; T301-L305 PolarHBondContact O-N 3.29Å
302V63Low60.4Low103 Ų103113.6 Ų113.662%0.62461%0.605SS**Hα-helixtrans-71.7-41.6177.1-175.80000110.3E299 L305 L306E299-V302 WeakPolarHBondContact O-CB 3.18Å; E299-V302 PolarHBondContact O-N 3.06Å; V302-L305 PolarHBondContact O-N 2.88Å; V302-L306 WeakPolarHBondContact O-CB 3.49Å; V302-L306 PolarHBondContact O-N 2.98Å
303H64.4Low61.5Low127 Ų127108.5 Ų108.559%0.58859%0.593SS**Hα-helixtrans-66.5-40.4-179.1-154.7-56.6000112.3E299 E300 L306 S307E299-H303 PolarHBondContact O-N 2.86Å; E300-H303 PolarHBondContact O-N 2.66Å; H303-L306 PolarHBondContact O-N 3.18Å; H303-S307 PolarHBondContact O-N 2.88Å; H303-S307 PolarHBondContact O-OG 3.27Å
304T72.5Confident62.8Low85 Ų85100.3 Ų100.352%0.52157%0.568SS.*Hα-helixtrans-65.3-43.4174.7440000112.3E300 T301 L306 S307 D308E300-T304 PolarHBondContact O-N 3.31Å; E300-T304 PolarHBondContact O-OG1 3.44Å; T301-T304 WeakPolarHBondContact CA-OG1 3.32Å; T301-T304 PolarHBondContact O-OG1 2.95Å; T301-T304 VanDerWaalsContact O-OG1 3.08Å; T304-L306 VanDerWaalsContact C-N 3.33Å; T304-L306 PolarHBondContact O-N 3.23Å; T304-S307 PolarHBondContact O-N 3.13Å; T304-D308 WeakPolarHBondContact O-CB 3.4Å; T304-D308 PolarHBondContact O-N 3.18Å
305L75.2Confident64.4Low118 Ų118105.4 Ų105.462%0.61856%0.564SS**Hα-helixtrans-61.1-39.2174.4-74.7170000112.7T301 V302 A309T301-L305 HydrophobicContact CG2-CD1 4.38Å; T301-L305 WeakPolarHBondContact O-CB 3.28Å; T301-L305 WeakPolarHBondContact O-CD1 3.48Å; T301-L305 VanDerWaalsContact O-CG 3.26Å; T301-L305 WeakPolarHBondContact O-CG 3.41Å; T301-L305 PolarHBondContact O-N 3.29Å; V302-L305 PolarHBondContact O-N 2.88Å; L305-A309 WeakPolarHBondContact O-CB 2.95Å; L305-A309 PolarHBondContact O-N 2.85Å
306L71.6Confident65.9Low101 Ų101105.9 Ų105.953%0.52956%0.56SS.*Hα-helixtrans-66.3-47176.6-172.270.8000111.7V302 H303 T304 D308 A309 L310V302-L306 WeakPolarHBondContact O-CB 3.49Å; V302-L306 PolarHBondContact O-N 2.98Å; H303-L306 PolarHBondContact O-N 3.18Å; T304-L306 VanDerWaalsContact C-N 3.33Å; T304-L306 PolarHBondContact O-N 3.23Å; L306-D308 VanDerWaalsContact C-N 3.33Å; L306-D308 PolarHBondContact O-N 2.78Å; L306-A309 PolarHBondContact O-N 3.3Å; L306-L310 HydrophobicContact CG-CD1 4.25Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 2.98Å
307S74.8Confident66.3Low53 Ų53106.8 Ų106.837%0.37156%0.555SS.*Hα-helixtrans-59.4-42.5176.9-66.40000112.2H303 T304 L310 L311H303-S307 PolarHBondContact O-N 2.88Å; H303-S307 PolarHBondContact O-OG 3.27Å; T304-S307 PolarHBondContact O-N 3.13Å; S307-L310 PolarHBondContact O-N 3.45Å; S307-L311 PolarHBondContact O-N 2.93Å
308D78.9Confident67.3Low75 Ų75106.9 Ų106.940%0.40155%0.548SS..Hα-helixtrans-72.2-33.1-179.4-162.247.6000112.4T304 L306 K312T304-D308 WeakPolarHBondContact O-CB 3.4Å; T304-D308 PolarHBondContact O-N 3.18Å; L306-D308 VanDerWaalsContact C-N 3.33Å; L306-D308 PolarHBondContact O-N 2.78Å; D308-K312 WeakPolarHBondContact O-CD 3.41Å; D308-K312 VanDerWaalsContact O-CG 3.31Å; D308-K312 WeakPolarHBondContact O-CG 3.46Å; D308-K312 PolarHBondContact O-N 3.22Å; D308-K312 VanDerWaalsContact O-N 3.07Å; D308-K312 WeakPolarHBondContact OD2-CE 3.5Å; D308-K312 IonicContact OD2-NZ 2.56Å; D308-K312 PolarHBondContact OD2-NZ 3.37Å
309A74.7Confident67.8Low48 Ų48107.5 Ų107.540%0.39755%0.552SS.*Hα-helixtrans-65.1-45169.900000112.2L305 L306 L311 K312 C313L305-A309 WeakPolarHBondContact O-CB 2.95Å; L305-A309 PolarHBondContact O-N 2.85Å; L306-A309 PolarHBondContact O-N 3.3Å; A309-L311 PolarHBondContact O-N 3.13Å; A309-K312 PolarHBondContact O-N 3.02Å; A309-C313 PolarHBondContact O-N 3.01Å; A309-C313 PolarHBondContact O-SG 3.36Å
310L74.8Confident68.1Low115 Ų115103.8 Ų103.860%0.60254%0.538SS*.Hα-helixtrans-62.1-41.3175.8-71.6170.3000111.7L306 S307 K312 C313 G314L306-L310 HydrophobicContact CG-CD1 4.25Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 2.98Å; S307-L310 PolarHBondContact O-N 3.45Å; L310-K312 PolarHBondContact O-N 3.44Å; L310-C313 PolarHBondContact O-N 2.62Å; L310-G314 PolarHBondContact O-N 2.93Å
311L77.4Confident68.3Low92 Ų92101.2 Ų101.248%0.48253%0.526SS..Hα-helixtrans-61-42.5174.3-114.4100.5000112.3S307 A309 G314 R315S307-L311 PolarHBondContact O-N 2.93Å; A309-L311 PolarHBondContact O-N 3.13Å; L311-G314 PolarHBondContact O-N 3.2Å; L311-R315 WeakPolarHBondContact O-CB 3.42Å; L311-R315 WeakPolarHBondContact O-CG 3.26Å; L311-R315 PolarHBondContact O-N 3.24Å
312K78.1Confident67.6Low123 Ų123104.6 Ų104.654%0.53554%0.542SS..Hα-helixtrans-65-39.5177.5-74.5164.8-171.9163.60111.9D308 A309 L310 K316D308-K312 WeakPolarHBondContact O-CD 3.41Å; D308-K312 VanDerWaalsContact O-CG 3.31Å; D308-K312 WeakPolarHBondContact O-CG 3.46Å; D308-K312 PolarHBondContact O-N 3.22Å; D308-K312 VanDerWaalsContact O-N 3.07Å; D308-K312 WeakPolarHBondContact OD2-CE 3.5Å; D308-K312 IonicContact OD2-NZ 2.56Å; D308-K312 PolarHBondContact OD2-NZ 3.37Å; A309-K312 PolarHBondContact O-N 3.02Å; L310-K312 PolarHBondContact O-N 3.44Å; K312-K316 PolarHBondContact O-N 3.08Å; K312-K316 VanDerWaalsContact O-N 3.13Å
313C67.4Low67.1Low85 Ų85106.1 Ų106.157%0.57455%0.546SS*.Hα-helixtrans-64.2-47.5172.7-71.30000112A309 L310 R315 K316 Y317A309-C313 PolarHBondContact O-N 3.01Å; A309-C313 PolarHBondContact O-SG 3.36Å; L310-C313 PolarHBondContact O-N 2.62Å; C313-R315 VanDerWaalsContact C-N 3.34Å; C313-R315 PolarHBondContact O-N 3.27Å; C313-K316 PolarHBondContact O-N 2.85Å; C313-Y317 PolarHBondContact O-N 3.33Å
314G63Low66.4Low39 Ų39105.7 Ų105.740%0.40255%0.547SS..Hα-helixtrans-61.9-37.2178.300000113.6L310 L311 Y317 K318L310-G314 PolarHBondContact O-N 2.93Å; L311-G314 PolarHBondContact O-N 3.2Å; G314-Y317 PolarHBondContact O-N 3.45Å; G314-K318 PolarHBondContact O-N 3.44Å
315R70.8Confident65.1Low180 Ų180106.7 Ų106.768%0.67956%0.557SS**Hα-helixtrans-65.6-44.1173.7-73.2179.5-174.7-165.84.4112.1L311 C313 Y317 K318 S319L311-R315 WeakPolarHBondContact O-CB 3.42Å; L311-R315 WeakPolarHBondContact O-CG 3.26Å; L311-R315 PolarHBondContact O-N 3.24Å; C313-R315 VanDerWaalsContact C-N 3.34Å; C313-R315 PolarHBondContact O-N 3.27Å; R315-Y317 VanDerWaalsContact C-N 3.32Å; R315-Y317 PolarHBondContact O-N 3.11Å; R315-K318 PolarHBondContact O-N 3.02Å; R315-S319 PolarHBondContact O-N 2.88Å
316K66.8Low63.7Low151 Ų151105.7 Ų105.766%0.65756%0.56SS**Hα-helixtrans-63.5-34.5175.3-77.4-172.5174.1-172.50113.2K312 C313 S319 N320K312-K316 PolarHBondContact O-N 3.08Å; K312-K316 VanDerWaalsContact O-N 3.13Å; C313-K316 PolarHBondContact O-N 2.85Å; K316-S319 WeakPolarHBondContact CA-OG 3.46Å; K316-S319 PolarHBondContact O-OG 3.12Å; K316-N320 PolarHBondContact O-N 3.4Å; K316-N320 PolarHBondContact O-OD1 3.34Å
317Y56.7Low62.4Low156 Ų156106.5 Ų106.561%0.61257%0.569SS**Hα-helixtrans-65.5-44.7175.9-172.9-110.9000111.6C313 G314 R315 N320 H321C313-Y317 PolarHBondContact O-N 3.33Å; G314-Y317 PolarHBondContact O-N 3.45Å; R315-Y317 VanDerWaalsContact C-N 3.32Å; R315-Y317 PolarHBondContact O-N 3.11Å; Y317-N320 PolarHBondContact O-N 3.08Å; Y317-H321 AromaticContact CE1-CD2 3.91Å; Y317-H321 AromaticContact CE2-CD2 3.5Å; Y317-H321 VanDerWaalsContact CE2-CD2 3.5Å; Y317-H321 WeakPolarHBondContact CE2-CD2 3.42Å; Y317-H321 AromaticContact CE2-NE2 3.4Å; Y317-H321 WeakPolarHBondContact CE2-NE2 3.16Å; Y317-H321 AromaticContact CZ-CD2 3.43Å; Y317-H321 VanDerWaalsContact CZ-CD2 3.43Å; Y317-H321 AromaticContact CZ-NE2 3.33Å; Y317-H321 VanDerWaalsContact CZ-NE2 3.33Å; Y317-H321 PolarHBondContact O-N 3.01Å; Y317-H321 PolarHBondContact OH-NE2 3.3Å; Y317-H321 VanDerWaalsContact OH-NE2 3.12Å
318K60.9Low60.9Low158 Ų158110.2 Ų110.269%0.68759%0.59SS**Hα-helixtrans-66.9-36.8176.1-73.7-168.1173.5-171.70113.7G314 R315 N320 N322G314-K318 PolarHBondContact O-N 3.44Å; R315-K318 PolarHBondContact O-N 3.02Å; K318-N320 VanDerWaalsContact C-N 3.31Å; K318-N320 PolarHBondContact O-N 3.42Å; K318-N322 PolarHBondContact O-N 3.22Å
319S62.8Low59.4Low59 Ų59112.9 Ų112.941%0.41361%0.608SS.*Hα-helixtrans-63.6-37.3176.558.50000112.6R315 K316R315-S319 PolarHBondContact O-N 2.88Å; K316-S319 WeakPolarHBondContact CA-OG 3.46Å; K316-S319 PolarHBondContact O-OG 3.12Å
320N57.8Low58.3Low100 Ų100119.9 Ų119.954%0.53563%0.63SS.*Hα-helixtrans-79-34.2-175.6-68.418.2000112.4K316 Y317 K318 L323K316-N320 PolarHBondContact O-N 3.4Å; K316-N320 PolarHBondContact O-OD1 3.34Å; Y317-N320 PolarHBondContact O-N 3.08Å; K318-N320 VanDerWaalsContact C-N 3.31Å; K318-N320 PolarHBondContact O-N 3.42Å; N320-L323 PolarHBondContact O-N 3.22Å
321H57.1Low57.2Low99 Ų99123.5 Ų123.546%0.45864%0.644SS.*Hα-helixtrans-69.2-32175.1-92.3-78.5000113.3Y317 L323 L324Y317-H321 AromaticContact CE1-CD2 3.91Å; Y317-H321 AromaticContact CE2-CD2 3.5Å; Y317-H321 VanDerWaalsContact CE2-CD2 3.5Å; Y317-H321 WeakPolarHBondContact CE2-CD2 3.42Å; Y317-H321 AromaticContact CE2-NE2 3.4Å; Y317-H321 WeakPolarHBondContact CE2-NE2 3.16Å; Y317-H321 AromaticContact CZ-CD2 3.43Å; Y317-H321 VanDerWaalsContact CZ-CD2 3.43Å; Y317-H321 AromaticContact CZ-NE2 3.33Å; Y317-H321 VanDerWaalsContact CZ-NE2 3.33Å; Y317-H321 PolarHBondContact O-N 3.01Å; Y317-H321 PolarHBondContact OH-NE2 3.3Å; Y317-H321 VanDerWaalsContact OH-NE2 3.12Å; H321-L323 PolarHBondContact O-N 3.33Å; H321-L324 PolarHBondContact O-N 3.12Å
322N51.7Low55.9Low130 Ų130128.1 Ų128.170%0.69566%0.663SS**THydrogen-bonded Turntrans-71.2-5.7174.9-74.415.8000114.2K318K318-N322 PolarHBondContact O-N 3.22Å
323L51.6Low55Low134 Ų134127.8 Ų127.870%0.70267%0.673SS**THydrogen-bonded Turntrans-103-0.8177.1-73.4168.4000113.5N320 H321N320-L323 PolarHBondContact O-N 3.22Å; H321-L323 PolarHBondContact O-N 3.33Å
324L49Very low54.2Low119 Ų119134 Ų13462%0.62371%0.709SS**SBendtrans-109-1.6-178.2-75.6165.3000113.7H321 S326H321-L324 PolarHBondContact O-N 3.12Å; L324-S326 VanDerWaalsContact C-N 3.31Å; L324-S326 PolarHBondContact O-N 3.38Å
325S45.6Very low53.8Low105 Ų105138.8 Ų138.873%0.73473%0.725SS**THydrogen-bonded Turntrans-87.314.8-176.157.30000114.9
326S45.5Very low52.9Low97 Ų97136.6 Ų136.668%0.67873%0.727SS**THydrogen-bonded Turntrans-124.222.2-175.568.90000114.3L324 T328L324-S326 VanDerWaalsContact C-N 3.31Å; L324-S326 PolarHBondContact O-N 3.38Å; S326-T328 PolarHBondContact O-N 3.22Å
327V44.6Very low52.1Low119 Ų119135.8 Ų135.872%0.72173%0.731SS**  trans-85.797.1173.3-1770000109V329V327-V329 PolarHBondContact O-N 3.33Å
328T44.3Very low51.8Low131 Ų131134.6 Ų134.680%0.80474%0.738SS**  trans-68110.8173.549.50000110.4S326 K330S326-T328 PolarHBondContact O-N 3.22Å; T328-K330 PolarHBondContact O-N 3.45Å
329V46.6Very low51.3Low130 Ų130133.2 Ų133.279%0.78874%0.741SS**PPolyproline II helixtrans-67.3125.9163.9179.40000107.8V327V327-V329 PolarHBondContact O-N 3.33Å
330K51.3Low50.5Low196 Ų196138.1 Ų138.185%0.85276%0.763SS**PPolyproline II helixtrans-80.7123.8163.3-83.9-171.6171.3-172.50108.2T328T328-K330 PolarHBondContact O-N 3.45Å
331E52.8Low50Low191 Ų191140.9 Ų140.989%0.89378%0.779SS**PPolyproline II helixtrans-74142.5158.9-64.7177.7133.100108.8
332E49.9Very low49.4Very low189 Ų189144.1 Ų144.188%0.88380%0.804SS**  trans-104.3134.2173.1-146.4166.4-153.800108.1
333P59Low49.2Very low115 Ų115145.3 Ų145.375%0.74781%0.813SS**  trans-92.6120.7-161.933.3-34.8000115.1
334T50.7Low49Very low217 Ų217146.3 Ų146.3100%1.33182%0.823SS**  trans73.20160.7-15.60000117.8

Retrieved 334 of 334 residues in 74 ms (Link to these results)

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