A0A3Q0KPA0_SCHMA Loading...

SmZF1

AlphaFold DB , UniProt , Accession A0A3Q0KPA0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 169 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
1M38Very low40.8Very low242 Ų242106.7 Ų106.7100%1.19263%0.63SS**  0121.90-64.5167.5-166.400105.1E3M1-E3 PolarHBondContact O-N 2.86Å
2N38Very low41.6Very low168 Ų168101 Ų10190%0.89860%0.604SS**  trans-49.6124.9-165.9-76.2-66.4000111.6
3E33.5Very low41.8Very low173 Ų17397.9 Ų97.981%0.80858%0.582SS**  trans-58130.6162.6-70-151.499.600107.4M1 T5M1-E3 PolarHBondContact O-N 2.86Å; E3-T5 PolarHBondContact O-N 3.36Å
4P40.7Very low42.3Very low120 Ų12093.3 Ų93.378%0.77956%0.56SS**  trans-64105.217325.6-29.1000106.7G6P4-G6 PolarHBondContact O-N 3.27Å
5T37.1Very low42Very low142 Ų14294.9 Ų94.987%0.87158%0.576SS**  trans-67.849.2155.356.40000108.3E3 V7E3-T5 PolarHBondContact O-N 3.36Å; T5-V7 PolarHBondContact O-N 3.28Å
6G40.3Very low41.6Very low56 Ų5694.9 Ų94.958%0.57757%0.572SS**  trans-67.2118.2166.900000104.6P4 G8P4-G6 PolarHBondContact O-N 3.27Å; G6-G8 PolarHBondContact O-N 3.21Å
7V41.6Very low42.1Very low77 Ų7798.5 Ų98.547%0.46759%0.587SS.*  trans-53.289.8160.2-73.90000106.5T5 T52 L57T5-V7 PolarHBondContact O-N 3.28Å; V7-T52 HydrophobicContact CG2-CG2 3.61Å; V7-L57 HydrophobicContact CG1-CD2 4.4Å
8G38.8Very low42.7Very low47 Ų4797.2 Ų97.249%0.48560%0.597SS.*  trans-54.3144.8179.400000107.8G6 T10G6-G8 PolarHBondContact O-N 3.21Å; G8-T10 PolarHBondContact O-N 2.88Å
9P44.8Very low43.2Very low26 Ų2699.8 Ų99.817%0.16960%0.602CS.*  trans-47.4118.5-179.817.1-29.8000108.7F11 F41 I50P9-F11 VanDerWaalsContact C-N 3.31Å; P9-F11 HydrophobicContact CB-CE1 4.45Å; P9-F11 HydrophobicContact CB-CZ 4.33Å; P9-F11 HydrophobicContact CG-CE1 4.14Å; P9-F11 HydrophobicContact CG-CE2 3.9Å; P9-F11 HydrophobicContact CG-CZ 3.6Å; P9-F11 WeakPolarHBondContact O-CD2 3.42Å; P9-F11 WeakPolarHBondContact O-CE2 3.18Å; P9-F11 PolarHBondContact O-N 2.96Å; P9-F41 HydrophobicContact CB-CE2 4.32Å; P9-F41 HydrophobicContact CB-CZ 4.39Å; P9-F41 HydrophobicContact CG-CD1 4.19Å; P9-F41 HydrophobicContact CG-CE1 4.15Å; P9-F41 HydrophobicContact CG-CG 4.44Å; P9-F41 HydrophobicContact CG-CZ 4.33Å; P9-I50 HydrophobicContact CB-CD1 3.81Å
10T45.8Very low43.9Very low83 Ų83100.5 Ų100.551%0.50960%0.601SS.*  trans-64.797.9179.259.30000107G8 A12 H94G8-T10 PolarHBondContact O-N 2.88Å; T10-A12 PolarHBondContact O-N 2.9Å; T10-A12 VanDerWaalsContact O-N 3.13Å; T10-H94 VanDerWaalsContact OG1-CB 3.25Å; T10-H94 WeakPolarHBondContact OG1-CB 3.48Å
11F50.2Low45Very low40 Ų4097.6 Ų97.618%0.17558%0.583CS.*  trans-70.4106.6175.7-62.4-71.2000106.4P9 Q34 L37 H38P9-F11 VanDerWaalsContact C-N 3.31Å; P9-F11 HydrophobicContact CB-CE1 4.45Å; P9-F11 HydrophobicContact CB-CZ 4.33Å; P9-F11 HydrophobicContact CG-CE1 4.14Å; P9-F11 HydrophobicContact CG-CE2 3.9Å; P9-F11 HydrophobicContact CG-CZ 3.6Å; P9-F11 WeakPolarHBondContact O-CD2 3.42Å; P9-F11 WeakPolarHBondContact O-CE2 3.18Å; P9-F11 PolarHBondContact O-N 2.96Å; F11-Q34 HydrophobicContact CB-CG 4.07Å; F11-Q34 HydrophobicContact CD2-CG 4.17Å; F11-Q34 HydrophobicContact CG-CG 4.08Å; F11-L37 HydrophobicContact CB-CD2 4.33Å; F11-L37 HydrophobicContact CD1-CB 4.47Å; F11-L37 HydrophobicContact CD1-CD2 3.35Å; F11-L37 HydrophobicContact CD1-CG 3.52Å; F11-L37 HydrophobicContact CE1-CD2 4.04Å; F11-L37 HydrophobicContact CE1-CG 3.66Å; F11-L37 HydrophobicContact CG-CD2 4.24Å; F11-H38 HydrophobicContact CE1-CB 4.47Å; F11-H38 HydrophobicContact CE2-CB 4.47Å; F11-H38 AromaticContact CE2-ND1 3.44Å; F11-H38 WeakPolarHBondContact CE2-ND1 3.37Å; F11-H38 HydrophobicContact CZ-CB 3.87Å; F11-H38 AromaticContact CZ-CG 3.79Å; F11-H38 AromaticContact CZ-ND1 3.41Å; F11-H38 WeakPolarHBondContact CZ-ND1 3.19Å
12A50.3Low46.6Very low38 Ų3886.2 Ų86.231%0.31453%0.527SS..  trans-85.9115.1175.200000107.9T10 A14T10-A12 PolarHBondContact O-N 2.9Å; T10-A12 VanDerWaalsContact O-N 3.13Å; A12-A14 PolarHBondContact O-N 2.84Å
13D44.9Very low47.9Very low61 Ų6180.9 Ų80.933%0.32650%0.498SS..EExtended strand (participates in β ladder)trans-66.3126.2161.4-63.8-63.8000108.3L20 S22D13-L20 HydrophobicContact CB-CD2 4.18Å; D13-L20 HydrophobicContact CB-CG 4.13Å; D13-S22 PolarHBondContact OD1-OG 3.28Å
14A48.1Very low49.7Very low33 Ų3372.8 Ų72.827%0.27346%0.46SS..EExtended strand (participates in β ladder)trans-99117.6169.200000107.1A12 D16 I21 I23A12-A14 PolarHBondContact O-N 2.84Å; A14-D16 PolarHBondContact O-N 3.47Å; A14-D16 VanDerWaalsContact O-N 3.08Å; A14-I21 HydrophobicContact CB-CG1 4.43Å; A14-I21 PolarHBondContact N-O 3.33Å; A14-I21 VanDerWaalsContact N-O 3.14Å; A14-I21 WeakPolarHBondContact O-CG1 3.06Å; A14-I23 HydrophobicContact CB-CD1 3.75Å; A14-I23 HydrophobicContact CB-CG1 4.29Å
15C37.7Very low51Low117 Ų11768.8 Ų68.879%0.79144%0.435SS*.EExtended strand (participates in β ladder)trans-73.196.5169.5-46.80000107.9
16D36.5Very low52.5Low96 Ų9663.1 Ų63.151%0.51340%0.399SS..EExtended strand (participates in β ladder)trans-114120.4165.6-157.6-130.7000106.2A14 G18 E19 I21A14-D16 PolarHBondContact O-N 3.47Å; A14-D16 VanDerWaalsContact O-N 3.08Å; D16-G18 VanDerWaalsContact C-N 3.27Å; D16-G18 PolarHBondContact O-N 3.32Å; D16-E19 PolarHBondContact O-N 3.26Å; D16-I21 HydrophobicContact CB-CD1 4.11Å
17D49.2Very low53.8Low155 Ų15562.1 Ų62.183%0.82938%0.383SS*.THydrogen-bonded Turntrans54.825.4168.8-61.8-52.7000118.6E19D17-E19 VanDerWaalsContact C-N 3.31Å; D17-E19 PolarHBondContact O-N 3.37Å
18G52.4Low55Low75 Ų7559.8 Ų59.877%0.77338%0.375SS*.THydrogen-bonded Turntrans86.5-3.8173.900000114.9D16D16-G18 VanDerWaalsContact C-N 3.27Å; D16-G18 PolarHBondContact O-N 3.32Å
19E53.4Low56.7Low147 Ų14762.8 Ų62.869%0.68737%0.374SS*.EExtended strand (participates in β ladder)trans-99.4121.8169.7-70.2-66.8126.500109D16 D17 I21D16-E19 PolarHBondContact O-N 3.26Å; D17-E19 VanDerWaalsContact C-N 3.31Å; D17-E19 PolarHBondContact O-N 3.37Å; E19-I21 PolarHBondContact O-N 3.44Å
20L57.7Low58.1Low113 Ų11365.9 Ų65.959%0.59239%0.393SS*.EExtended strand (participates in β ladder)trans-68.899.5175.4-128.682.7000108.4D13D13-L20 HydrophobicContact CB-CD2 4.18Å; D13-L20 HydrophobicContact CB-CG 4.13Å
21I66.3Low59.8Low41 Ų4163.6 Ų63.621%0.2138%0.376CS..EExtended strand (participates in β ladder)trans-99.2132.9174.558.4167.7000110.6A14 D16 E19 I23 T30A14-I21 HydrophobicContact CB-CG1 4.43Å; A14-I21 PolarHBondContact N-O 3.33Å; A14-I21 VanDerWaalsContact N-O 3.14Å; A14-I21 WeakPolarHBondContact O-CG1 3.06Å; D16-I21 HydrophobicContact CB-CD1 4.11Å; E19-I21 PolarHBondContact O-N 3.44Å; I21-I23 HydrophobicContact CD1-CD1 3.88Å; I21-I23 HydrophobicContact CD1-CG1 4.23Å; I21-I23 HydrophobicContact CG1-CD1 4.36Å; I21-I23 HydrophobicContact CG1-CG1 4.34Å; I21-T30 HydrophobicContact CD1-CG2 4.3Å
22S70.7Confident61.1Low3 Ų366.5 Ų66.52%0.02140%0.401CS..EExtended strand (participates in β ladder)trans-94.8123.4175.3-51.20000108.8D13 T30 F31 Q34D13-S22 PolarHBondContact OD1-OG 3.28Å; S22-T30 CarbonylContact O-C 3.49Å; S22-F31 PolarHBondContact N-O 2.98Å; S22-F31 PolarHBondContact O-N 3.1Å; S22-Q34 WeakPolarHBondContact OG-CA 3.45Å; S22-Q34 PolarHBondContact OG-N 3.39Å; S22-Q34 VanDerWaalsContact OG-N 3.14Å
23I66.9Low62.4Low55 Ų5566.8 Ų66.828%0.28240%0.401SS..EExtended strand (participates in β ladder)trans-114.7130.9-175.6-48.3-173.4000110.7A14 I21 C25 K29 T30A14-I23 HydrophobicContact CB-CD1 3.75Å; A14-I23 HydrophobicContact CB-CG1 4.29Å; I21-I23 HydrophobicContact CD1-CD1 3.88Å; I21-I23 HydrophobicContact CD1-CG1 4.23Å; I21-I23 HydrophobicContact CG1-CD1 4.36Å; I21-I23 HydrophobicContact CG1-CG1 4.34Å; I23-C25 PolarHBondContact O-N 3.44Å; I23-K29 CarbonylContact C-O 3.59Å; I23-K29 WeakPolarHBondContact CA-O 3.47Å; I23-T30 HydrophobicContact CD1-CG2 4.09Å; I23-T30 HydrophobicContact CG1-CG2 4.01Å; I23-T30 HydrophobicContact CG2-CG2 4.44Å
24C70.4Confident63.9Low4 Ų468.6 Ų68.63%0.02741%0.407CS..  trans-67.6121.4173.9-179.40000110.6L26 G28 K29 F31 L37 H40 H45C24-L26 PolarHBondContact O-N 3.05Å; C24-L26 PolarHBondContact SG-N 3.41Å; C24-L26 VanDerWaalsContact SG-N 3.44Å; C24-G28 WeakPolarHBondContact O-CA 3.29Å; C24-G28 PolarHBondContact O-N 2.89Å; C24-K29 PolarHBondContact N-O 2.95Å; C24-F31 HydrophobicContact CB-CE2 4.11Å; C24-L37 VanDerWaalsContact CA-CD1 3.41Å; C24-L37 HydrophobicContact CB-CD1 3.46Å; C24-L37 VanDerWaalsContact CB-CD1 3.46Å; C24-H40 WeakPolarHBondContact CB-NE2 3.35Å; C24-H40 PolarHBondContact SG-NE2 2.9Å; C24-H45 VanDerWaalsContact SG-CD2 3.56Å; C24-H45 PolarHBondContact SG-NE2 3.18Å
25C67.6Low65.4Low35 Ų3571 Ų7124%0.23642%0.422CS..THydrogen-bonded Turntrans-69.5-19.3179.962.20000114.2I23 C95I23-C25 PolarHBondContact O-N 3.44Å; C25-C95 HydrophobicContact CB-CB 3.33Å
26L69.7Low67.6Low23 Ų2369 Ų6912%0.1240%0.403CS..THydrogen-bonded Turntrans-89.5-41.4-176.1-61.3-176.2000112.5C24 F41 H45 T48 N98C24-L26 PolarHBondContact O-N 3.05Å; C24-L26 PolarHBondContact SG-N 3.41Å; C24-L26 VanDerWaalsContact SG-N 3.44Å; L26-F41 HydrophobicContact CD1-CD2 4.19Å; L26-F41 HydrophobicContact CD1-CE2 3.49Å; L26-F41 VanDerWaalsContact CD1-CE2 3.49Å; L26-F41 HydrophobicContact CD1-CZ 4.3Å; L26-F41 HydrophobicContact CG-CE2 4.28Å; L26-H45 HydrophobicContact CD1-CB 3.8Å; L26-H45 VanDerWaalsContact CD1-CG 3.5Å; L26-T48 HydrophobicContact CD1-CG2 3.87Å; L26-N98 WeakPolarHBondContact CD2-ND2 3.13Å
27C67.1Low69.6Low35 Ų3564.5 Ų64.524%0.23638%0.379CS..THydrogen-bonded Turntrans-117.4-9.7-177.171.40000114.7K29 H40C27-K29 VanDerWaalsContact C-N 3.31Å; C27-K29 PolarHBondContact O-N 3.29Å; C27-H40 PolarHBondContact SG-CE1 2.78Å; C27-H40 PolarHBondContact SG-NE2 2.83Å
28G67.1Low70.9Confident29 Ų2960.9 Ų60.930%0.29936%0.357SS..  trans77.56.2179.500000115.4C24C24-G28 WeakPolarHBondContact O-CA 3.29Å; C24-G28 PolarHBondContact O-N 2.89Å
29K74.6Confident72.3Confident109 Ų10963.2 Ų63.247%0.47435%0.346SS..  trans-65.8137.3176.3-74.3-176.2-178.3-177.60111.1I23 C24 C27 F31I23-K29 CarbonylContact C-O 3.59Å; I23-K29 WeakPolarHBondContact CA-O 3.47Å; C24-K29 PolarHBondContact N-O 2.95Å; C27-K29 VanDerWaalsContact C-N 3.31Å; C27-K29 PolarHBondContact O-N 3.29Å; K29-F31 HydrophobicContact CB-CE2 3.57Å; K29-F31 HydrophobicContact CB-CZ 3.63Å; K29-F31 HydrophobicContact CD-CZ 4.31Å; K29-F31 WeakPolarHBondContact O-CD2 3.42Å; K29-F31 VanDerWaalsContact O-CE2 3.23Å; K29-F31 WeakPolarHBondContact O-CE2 3.45Å
30T74.4Confident73.7Confident91 Ų9157 Ų5756%0.55832%0.317SS*.EExtended strand (participates in β ladder)trans-95143.2177.556.70000110.5I21 S22 I23I21-T30 HydrophobicContact CD1-CG2 4.3Å; S22-T30 CarbonylContact O-C 3.49Å; I23-T30 HydrophobicContact CD1-CG2 4.09Å; I23-T30 HydrophobicContact CG1-CG2 4.01Å; I23-T30 HydrophobicContact CG2-CG2 4.44Å
31F81Confident74.4Confident36 Ų3653 Ų5316%0.15829%0.294CS..EExtended strand (participates in β ladder)trans-133.5143-179.4-60.4-85.8000109.4S22 C24 K29 S33 L36 L37 H40S22-F31 PolarHBondContact N-O 2.98Å; S22-F31 PolarHBondContact O-N 3.1Å; C24-F31 HydrophobicContact CB-CE2 4.11Å; K29-F31 HydrophobicContact CB-CE2 3.57Å; K29-F31 HydrophobicContact CB-CZ 3.63Å; K29-F31 HydrophobicContact CD-CZ 4.31Å; K29-F31 WeakPolarHBondContact O-CD2 3.42Å; K29-F31 VanDerWaalsContact O-CE2 3.23Å; K29-F31 WeakPolarHBondContact O-CE2 3.45Å; F31-S33 PolarHBondContact O-N 3.03Å; F31-L36 HydrophobicContact CB-CB 4.07Å; F31-L36 HydrophobicContact CD1-CB 3.92Å; F31-L36 HydrophobicContact CG-CB 4.34Å; F31-L37 HydrophobicContact CB-CB 4Å; F31-L37 HydrophobicContact CD2-CB 3.67Å; F31-L37 HydrophobicContact CD2-CD1 3.47Å; F31-L37 VanDerWaalsContact CD2-CD1 3.47Å; F31-L37 HydrophobicContact CD2-CG 4.09Å; F31-L37 HydrophobicContact CE2-CB 4.45Å; F31-L37 HydrophobicContact CE2-CD1 3.55Å; F31-L37 HydrophobicContact CG-CB 3.91Å; F31-L37 HydrophobicContact CG-CD1 4.49Å; F31-H40 HydrophobicContact CD1-CB 4.35Å; F31-H40 HydrophobicContact CE1-CB 3.49Å; F31-H40 VanDerWaalsContact CE1-CB 3.49Å; F31-H40 AromaticContact CE1-CG 3.81Å; F31-H40 HydrophobicContact CE2-CB 3.94Å; F31-H40 AromaticContact CE2-CD2 3.51Å; F31-H40 AromaticContact CE2-CG 3.65Å; F31-H40 HydrophobicContact CZ-CB 3.27Å; F31-H40 AromaticContact CZ-CD2 3.43Å; F31-H40 VanDerWaalsContact CZ-CD2 3.43Å; F31-H40 WeakPolarHBondContact CZ-CD2 3.45Å; F31-H40 AromaticContact CZ-CG 3.06Å; F31-H40 AromaticContact CZ-ND1 3.55Å
32S77.1Confident74.8Confident101 Ų10156.1 Ų56.171%0.70631%0.309SS*.SBendtrans-72.8-9177.9510000113.6L36S32-L36 WeakPolarHBondContact OG-CD1 3.06Å
33S77.8Confident75.3Confident43 Ų4362.2 Ų62.230%0.30134%0.34SS..SBendtrans-153.1154.6173.669.60000111.7F31 S35 L36 L37F31-S33 PolarHBondContact O-N 3.03Å; S33-S35 PolarHBondContact O-N 3.11Å; S33-L36 PolarHBondContact O-N 3.48Å; S33-L36 VanDerWaalsContact O-N 3.17Å; S33-L36 PolarHBondContact OG-N 2.85Å; S33-L37 PolarHBondContact O-N 3.29Å; S33-L37 VanDerWaalsContact O-N 3.12Å
34Q76.8Confident75.6Confident99 Ų9965 Ų6546%0.46335%0.353SS..Hα-helixtrans-60-34.8175.4-171-178.2-600111.9F11 S22 L36 L37 H38F11-Q34 HydrophobicContact CB-CG 4.07Å; F11-Q34 HydrophobicContact CD2-CG 4.17Å; F11-Q34 HydrophobicContact CG-CG 4.08Å; S22-Q34 WeakPolarHBondContact OG-CA 3.45Å; S22-Q34 PolarHBondContact OG-N 3.39Å; S22-Q34 VanDerWaalsContact OG-N 3.14Å; Q34-L36 PolarHBondContact O-N 3.44Å; Q34-L37 PolarHBondContact O-N 3.39Å; Q34-H38 WeakPolarHBondContact O-CB 3.38Å; Q34-H38 PolarHBondContact O-N 2.97Å
35S79.7Confident75.7Confident84 Ų8465.9 Ų65.959%0.58736%0.357SS*.Hα-helixtrans-64.4-38.2176.9-53.40000112.7S33 H38 K39S33-S35 PolarHBondContact O-N 3.11Å; S35-H38 PolarHBondContact O-N 3.15Å; S35-K39 WeakPolarHBondContact O-CG 3.36Å; S35-K39 PolarHBondContact O-N 3.16Å
36L83.4Confident75.1Confident75 Ų7571.6 Ų71.639%0.39338%0.38SS..Hα-helixtrans-70-37.3175.3-73.2176.6000111.5F31 S32 S33 Q34 H38 K39 H40F31-L36 HydrophobicContact CB-CB 4.07Å; F31-L36 HydrophobicContact CD1-CB 3.92Å; F31-L36 HydrophobicContact CG-CB 4.34Å; S32-L36 WeakPolarHBondContact OG-CD1 3.06Å; S33-L36 PolarHBondContact O-N 3.48Å; S33-L36 VanDerWaalsContact O-N 3.17Å; S33-L36 PolarHBondContact OG-N 2.85Å; Q34-L36 PolarHBondContact O-N 3.44Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-K39 PolarHBondContact O-N 3.15Å; L36-H40 VanDerWaalsContact O-CB 3.29Å; L36-H40 WeakPolarHBondContact O-CB 3.25Å; L36-H40 PolarHBondContact O-N 3.47Å
37L78.4Confident74.3Confident2 Ų274.2 Ų74.21%0.0141%0.413CS..Hα-helixtrans-63.8-40.7172.917456.5000111.8F11 C24 F31 S33 Q34 H40 F41F11-L37 HydrophobicContact CB-CD2 4.33Å; F11-L37 HydrophobicContact CD1-CB 4.47Å; F11-L37 HydrophobicContact CD1-CD2 3.35Å; F11-L37 HydrophobicContact CD1-CG 3.52Å; F11-L37 HydrophobicContact CE1-CD2 4.04Å; F11-L37 HydrophobicContact CE1-CG 3.66Å; F11-L37 HydrophobicContact CG-CD2 4.24Å; C24-L37 VanDerWaalsContact CA-CD1 3.41Å; C24-L37 HydrophobicContact CB-CD1 3.46Å; C24-L37 VanDerWaalsContact CB-CD1 3.46Å; F31-L37 HydrophobicContact CB-CB 4Å; F31-L37 HydrophobicContact CD2-CB 3.67Å; F31-L37 HydrophobicContact CD2-CD1 3.47Å; F31-L37 VanDerWaalsContact CD2-CD1 3.47Å; F31-L37 HydrophobicContact CD2-CG 4.09Å; F31-L37 HydrophobicContact CE2-CB 4.45Å; F31-L37 HydrophobicContact CE2-CD1 3.55Å; F31-L37 HydrophobicContact CG-CB 3.91Å; F31-L37 HydrophobicContact CG-CD1 4.49Å; S33-L37 PolarHBondContact O-N 3.29Å; S33-L37 VanDerWaalsContact O-N 3.12Å; Q34-L37 PolarHBondContact O-N 3.39Å; L37-H40 WeakPolarHBondContact O-CB 3.49Å; L37-H40 PolarHBondContact O-N 3.13Å; L37-F41 WeakPolarHBondContact O-CB 3.41Å; L37-F41 PolarHBondContact O-N 3.36Å
38H76Confident73.7Confident79 Ų7975.5 Ų75.537%0.36642%0.42SS..Hα-helixtrans-62.1-50.7175.8-162116.3000110.9F11 Q34 S35 L36 H40 F41 E42F11-H38 HydrophobicContact CE1-CB 4.47Å; F11-H38 HydrophobicContact CE2-CB 4.47Å; F11-H38 AromaticContact CE2-ND1 3.44Å; F11-H38 WeakPolarHBondContact CE2-ND1 3.37Å; F11-H38 HydrophobicContact CZ-CB 3.87Å; F11-H38 AromaticContact CZ-CG 3.79Å; F11-H38 AromaticContact CZ-ND1 3.41Å; F11-H38 WeakPolarHBondContact CZ-ND1 3.19Å; Q34-H38 WeakPolarHBondContact O-CB 3.38Å; Q34-H38 PolarHBondContact O-N 2.97Å; S35-H38 PolarHBondContact O-N 3.15Å; L36-H38 VanDerWaalsContact C-N 3.34Å; H38-H40 VanDerWaalsContact C-N 3.27Å; H38-H40 PolarHBondContact O-N 2.76Å; H38-F41 CarbonylContact O-C 3.59Å; H38-F41 WeakPolarHBondContact O-CA 3.48Å; H38-F41 WeakPolarHBondContact O-CB 3.25Å; H38-F41 PolarHBondContact O-N 3.2Å; H38-E42 IonicContact CD2-OE2 3.37Å; H38-E42 PolarHBondContact CD2-OE2 3.38Å; H38-E42 WeakPolarHBondContact O-CG 3.47Å; H38-E42 PolarHBondContact O-N 3.01Å
39K82.2Confident72.8Confident124 Ų12482.2 Ų82.254%0.53944%0.443SS..Hα-helixtrans-57.6-40.3174.4-73.5176.2-179.4-179.60112.4S35 L36 F41 E42 L43S35-K39 WeakPolarHBondContact O-CG 3.36Å; S35-K39 PolarHBondContact O-N 3.16Å; L36-K39 PolarHBondContact O-N 3.15Å; K39-F41 VanDerWaalsContact C-N 3.33Å; K39-E42 PolarHBondContact O-N 3.47Å; K39-L43 WeakPolarHBondContact O-CB 3.42Å; K39-L43 VanDerWaalsContact O-CG 3.26Å; K39-L43 WeakPolarHBondContact O-CG 3.36Å; K39-L43 PolarHBondContact O-N 2.79Å
40H82.4Confident71.8Confident15 Ų1578.8 Ų78.87%0.06943%0.429CS..Hα-helixtrans-61.7-43.7174.5160.271.1000111.7C24 C27 F31 L36 L37 H38 L43 M44 H45C24-H40 WeakPolarHBondContact CB-NE2 3.35Å; C24-H40 PolarHBondContact SG-NE2 2.9Å; C27-H40 PolarHBondContact SG-CE1 2.78Å; C27-H40 PolarHBondContact SG-NE2 2.83Å; F31-H40 HydrophobicContact CD1-CB 4.35Å; F31-H40 HydrophobicContact CE1-CB 3.49Å; F31-H40 VanDerWaalsContact CE1-CB 3.49Å; F31-H40 AromaticContact CE1-CG 3.81Å; F31-H40 HydrophobicContact CE2-CB 3.94Å; F31-H40 AromaticContact CE2-CD2 3.51Å; F31-H40 AromaticContact CE2-CG 3.65Å; F31-H40 HydrophobicContact CZ-CB 3.27Å; F31-H40 AromaticContact CZ-CD2 3.43Å; F31-H40 VanDerWaalsContact CZ-CD2 3.43Å; F31-H40 WeakPolarHBondContact CZ-CD2 3.45Å; F31-H40 AromaticContact CZ-CG 3.06Å; F31-H40 AromaticContact CZ-ND1 3.55Å; L36-H40 VanDerWaalsContact O-CB 3.29Å; L36-H40 WeakPolarHBondContact O-CB 3.25Å; L36-H40 PolarHBondContact O-N 3.47Å; L37-H40 WeakPolarHBondContact O-CB 3.49Å; L37-H40 PolarHBondContact O-N 3.13Å; H38-H40 VanDerWaalsContact C-N 3.27Å; H38-H40 PolarHBondContact O-N 2.76Å; H40-L43 PolarHBondContact O-N 2.81Å; H40-M44 VanDerWaalsContact ND1-CG 3.3Å; H40-M44 WeakPolarHBondContact ND1-CG 3.2Å; H40-M44 VanDerWaalsContact O-CB 3.23Å; H40-M44 WeakPolarHBondContact O-CB 3.38Å; H40-M44 WeakPolarHBondContact O-CG 3.35Å; H40-M44 PolarHBondContact O-N 3.05Å; H40-H45 AromaticContact CE1-NE2 3.82Å; H40-H45 AromaticContact NE2-CD2 3.63Å; H40-H45 AromaticContact NE2-NE2 3.29Å; H40-H45 PolarHBondContact NE2-NE2 2.99Å
41F72.6Confident70.7Confident29 Ų2976.8 Ų76.813%0.12742%0.416CS..Hα-helixtrans-63-45.7176.7-172.3-87000110.7P9 L26 L37 H38 K39 L43 H45 E46 I50P9-F41 HydrophobicContact CB-CE2 4.32Å; P9-F41 HydrophobicContact CB-CZ 4.39Å; P9-F41 HydrophobicContact CG-CD1 4.19Å; P9-F41 HydrophobicContact CG-CE1 4.15Å; P9-F41 HydrophobicContact CG-CG 4.44Å; P9-F41 HydrophobicContact CG-CZ 4.33Å; L26-F41 HydrophobicContact CD1-CD2 4.19Å; L26-F41 HydrophobicContact CD1-CE2 3.49Å; L26-F41 VanDerWaalsContact CD1-CE2 3.49Å; L26-F41 HydrophobicContact CD1-CZ 4.3Å; L26-F41 HydrophobicContact CG-CE2 4.28Å; L37-F41 WeakPolarHBondContact O-CB 3.41Å; L37-F41 PolarHBondContact O-N 3.36Å; H38-F41 CarbonylContact O-C 3.59Å; H38-F41 WeakPolarHBondContact O-CA 3.48Å; H38-F41 WeakPolarHBondContact O-CB 3.25Å; H38-F41 PolarHBondContact O-N 3.2Å; K39-F41 VanDerWaalsContact C-N 3.33Å; F41-L43 VanDerWaalsContact C-N 3.32Å; F41-L43 PolarHBondContact O-N 2.99Å; F41-H45 HydrophobicContact CD1-CB 4.44Å; F41-H45 HydrophobicContact CD2-CB 3.81Å; F41-H45 AromaticContact CD2-CD2 3.85Å; F41-H45 HydrophobicContact CE1-CB 4.46Å; F41-H45 HydrophobicContact CE2-CB 3.85Å; F41-H45 HydrophobicContact CG-CB 4.11Å; F41-H45 HydrophobicContact CZ-CB 4.16Å; F41-H45 CarbonylContact O-C 3.16Å; F41-H45 WeakPolarHBondContact O-CA 3.16Å; F41-H45 VanDerWaalsContact O-CB 3.26Å; F41-H45 WeakPolarHBondContact O-CB 3.48Å; F41-H45 PolarHBondContact O-N 3.24Å; F41-E46 PolarHBondContact O-N 3.3Å; F41-E46 VanDerWaalsContact O-N 3.16Å; F41-I50 HydrophobicContact CE2-CD1 3.88Å; F41-I50 HydrophobicContact CE2-CG1 4.39Å; F41-I50 HydrophobicContact CZ-CD1 3.58Å; F41-I50 HydrophobicContact CZ-CG1 3.97Å
42E74.7Confident69.5Low108 Ų10878.5 Ų78.551%0.50543%0.429SS..Hα-helixtrans-60.6-36.9175.3-71179.9118.600113.1H38 K39 E46H38-E42 IonicContact CD2-OE2 3.37Å; H38-E42 PolarHBondContact CD2-OE2 3.38Å; H38-E42 WeakPolarHBondContact O-CG 3.47Å; H38-E42 PolarHBondContact O-N 3.01Å; K39-E42 PolarHBondContact O-N 3.47Å; E42-E46 WeakPolarHBondContact O-CB 3.43Å
43L80.8Confident68.6Low130 Ų13081.4 Ų81.468%0.68143%0.431SS*.Hα-helixtrans-88.3-32.3-176.5-69.2172.3000114.1K39 H40 F41K39-L43 WeakPolarHBondContact O-CB 3.42Å; K39-L43 VanDerWaalsContact O-CG 3.26Å; K39-L43 WeakPolarHBondContact O-CG 3.36Å; K39-L43 PolarHBondContact O-N 2.79Å; H40-L43 PolarHBondContact O-N 2.81Å; F41-L43 VanDerWaalsContact C-N 3.32Å; F41-L43 PolarHBondContact O-N 2.99Å
44M74.8Confident68.2Low114 Ų11480.1 Ų80.156%0.56242%0.421SS*.Hα-helixtrans-108.7-19-171.6-55.4-58.9-52.500112.9H40H40-M44 VanDerWaalsContact ND1-CG 3.3Å; H40-M44 WeakPolarHBondContact ND1-CG 3.2Å; H40-M44 VanDerWaalsContact O-CB 3.23Å; H40-M44 WeakPolarHBondContact O-CB 3.38Å; H40-M44 WeakPolarHBondContact O-CG 3.35Å; H40-M44 PolarHBondContact O-N 3.05Å
45H70.6Confident67.8Low23 Ų2377 Ų7711%0.10641%0.405CS..SBendtrans-125.914.5-179.4-55.6-51.5000111.4C24 L26 H40 F41 G47 T48C24-H45 VanDerWaalsContact SG-CD2 3.56Å; C24-H45 PolarHBondContact SG-NE2 3.18Å; L26-H45 HydrophobicContact CD1-CB 3.8Å; L26-H45 VanDerWaalsContact CD1-CG 3.5Å; H40-H45 AromaticContact CE1-NE2 3.82Å; H40-H45 AromaticContact NE2-CD2 3.63Å; H40-H45 AromaticContact NE2-NE2 3.29Å; H40-H45 PolarHBondContact NE2-NE2 2.99Å; F41-H45 HydrophobicContact CD1-CB 4.44Å; F41-H45 HydrophobicContact CD2-CB 3.81Å; F41-H45 AromaticContact CD2-CD2 3.85Å; F41-H45 HydrophobicContact CE1-CB 4.46Å; F41-H45 HydrophobicContact CE2-CB 3.85Å; F41-H45 HydrophobicContact CG-CB 4.11Å; F41-H45 HydrophobicContact CZ-CB 4.16Å; F41-H45 CarbonylContact O-C 3.16Å; F41-H45 WeakPolarHBondContact O-CA 3.16Å; F41-H45 VanDerWaalsContact O-CB 3.26Å; F41-H45 WeakPolarHBondContact O-CB 3.48Å; F41-H45 PolarHBondContact O-N 3.24Å; H45-G47 PolarHBondContact O-N 3Å; H45-T48 WeakPolarHBondContact CA-OG1 3.32Å; H45-T48 WeakPolarHBondContact O-CA 3.36Å; H45-T48 WeakPolarHBondContact O-CB 3.5Å; H45-T48 PolarHBondContact O-N 3.08Å; H45-T48 PolarHBondContact O-OG1 3.4Å
46E57.1Low66.9Low155 Ų15577.9 Ų77.972%0.72440%0.403SS*.THydrogen-bonded Turntrans-48.6126.4164.1123.8175.685.700109.5F41 E42 T48F41-E46 PolarHBondContact O-N 3.3Å; F41-E46 VanDerWaalsContact O-N 3.16Å; E42-E46 WeakPolarHBondContact O-CB 3.43Å; E46-T48 PolarHBondContact O-N 3.48Å; E46-T48 VanDerWaalsContact O-N 3.13Å
47G52.8Low65.8Low78 Ų7877.6 Ų77.680%0.80440%0.402SS*.THydrogen-bonded Turntrans70.8-1-175.500000115.5H45 E49H45-G47 PolarHBondContact O-N 3Å; G47-E49 PolarHBondContact O-N 2.77Å
48T53.5Low64.8Low62 Ų6278.4 Ų78.438%0.3841%0.407SS..  trans-71.689.9163.2-51.30000106.5L26 H45 E46 I50L26-T48 HydrophobicContact CD1-CG2 3.87Å; H45-T48 WeakPolarHBondContact CA-OG1 3.32Å; H45-T48 WeakPolarHBondContact O-CA 3.36Å; H45-T48 WeakPolarHBondContact O-CB 3.5Å; H45-T48 PolarHBondContact O-N 3.08Å; H45-T48 PolarHBondContact O-OG1 3.4Å; E46-T48 PolarHBondContact O-N 3.48Å; E46-T48 VanDerWaalsContact O-N 3.13Å; T48-I50 VanDerWaalsContact C-N 3.33Å; T48-I50 PolarHBondContact O-N 2.76Å
49E47.8Very low63.3Low169 Ų16976.7 Ų76.779%0.7941%0.411SS*.  trans-53.2107.7163.7-61.5-165.2103.900105.6G47 D51G47-E49 PolarHBondContact O-N 2.77Å; E49-D51 PolarHBondContact O-N 2.72Å
50I53.7Low61.3Low37 Ų3779 Ų7919%0.1942%0.421CS..  trans-65.287.9155.3-64.2172.5000102.1P9 F41 T48 T52 Y55 H94P9-I50 HydrophobicContact CB-CD1 3.81Å; F41-I50 HydrophobicContact CE2-CD1 3.88Å; F41-I50 HydrophobicContact CE2-CG1 4.39Å; F41-I50 HydrophobicContact CZ-CD1 3.58Å; F41-I50 HydrophobicContact CZ-CG1 3.97Å; T48-I50 VanDerWaalsContact C-N 3.33Å; T48-I50 PolarHBondContact O-N 2.76Å; I50-T52 PolarHBondContact O-N 3.12Å; I50-Y55 HydrophobicContact CG2-CE1 4.28Å; I50-H94 WeakPolarHBondContact CG2-CE1 3.31Å; I50-H94 WeakPolarHBondContact CG2-NE2 3.5Å
51D51.4Low59Low50 Ų5083 Ų8327%0.26746%0.457SS..  trans-55.389.9-178.5-173.6-141.9000106.2E49 E53 Q54E49-D51 PolarHBondContact O-N 2.72Å; D51-E53 PolarHBondContact O-N 3.22Å; D51-Q54 HydrophobicContact CB-CG 4.04Å; D51-Q54 VanDerWaalsContact CB-NE2 3.29Å; D51-Q54 WeakPolarHBondContact O-CB 3.49Å; D51-Q54 WeakPolarHBondContact O-CG 3.32Å; D51-Q54 PolarHBondContact O-N 3.07Å; D51-Q54 WeakPolarHBondContact OD1-CG 3.5Å; D51-Q54 PolarHBondContact OD1-NE2 3.12Å
52T56.5Low57.5Low71 Ų7186.1 Ų86.144%0.43649%0.488SS..G310 helixtrans-66.1-16.6-175.532.10000109.5V7 I50 Q54 Y55V7-T52 HydrophobicContact CG2-CG2 3.61Å; I50-T52 PolarHBondContact O-N 3.12Å; T52-Q54 PolarHBondContact O-N 3.13Å; T52-Q54 VanDerWaalsContact O-N 3.13Å; T52-Y55 HydrophobicContact CG2-CE1 4.45Å; T52-Y55 PolarHBondContact O-N 2.92Å
53E58.8Low55.7Low162 Ų16290.6 Ų90.676%0.75751%0.511SS*.G310 helixtrans-62.6-12169-52.6-162.5104.400113.6D51 Y55 A85D51-E53 PolarHBondContact O-N 3.22Å; E53-Y55 VanDerWaalsContact C-N 3.3Å; E53-A85 WeakPolarHBondContact O-CB 3.44Å
54Q68.5Low53.7Low17 Ų1787.5 Ų87.58%0.07951%0.511CS..G310 helixtrans-80.2-12.4177.7-73.1-179.925.700113.8D51 T52 A85 F86 I101D51-Q54 HydrophobicContact CB-CG 4.04Å; D51-Q54 VanDerWaalsContact CB-NE2 3.29Å; D51-Q54 WeakPolarHBondContact O-CB 3.49Å; D51-Q54 WeakPolarHBondContact O-CG 3.32Å; D51-Q54 PolarHBondContact O-N 3.07Å; D51-Q54 WeakPolarHBondContact OD1-CG 3.5Å; D51-Q54 PolarHBondContact OD1-NE2 3.12Å; T52-Q54 PolarHBondContact O-N 3.13Å; T52-Q54 VanDerWaalsContact O-N 3.13Å; Q54-A85 VanDerWaalsContact C-CB 3.45Å; Q54-A85 WeakPolarHBondContact O-CB 3.46Å; Q54-A85 PolarHBondContact O-N 2.8Å; Q54-F86 HydrophobicContact CB-CE2 4.38Å; Q54-F86 HydrophobicContact CG-CE2 4.09Å; Q54-F86 HydrophobicContact CG-CZ 4.41Å; Q54-I101 HydrophobicContact CB-CD1 3.59Å; Q54-I101 HydrophobicContact CG-CD1 4.35Å; Q54-I101 WeakPolarHBondContact O-CD1 3.47Å
55Y67.4Low52.2Low33 Ų3389.1 Ų89.113%0.12952%0.522CS..EExtended strand (participates in β ladder)trans-153.3148.3-179.761.8-89.6000113.7I50 T52 E53 L82 N83 H94 L97I50-Y55 HydrophobicContact CG2-CE1 4.28Å; T52-Y55 HydrophobicContact CG2-CE1 4.45Å; T52-Y55 PolarHBondContact O-N 2.92Å; E53-Y55 VanDerWaalsContact C-N 3.3Å; Y55-L82 HydrophobicContact CD2-CB 4.48Å; Y55-L82 HydrophobicContact CD2-CD2 3.54Å; Y55-L82 HydrophobicContact CE2-CD2 3.52Å; Y55-N83 CarbonylContact C-O 3.55Å; Y55-N83 WeakPolarHBondContact CA-O 3.43Å; Y55-N83 WeakPolarHBondContact CB-O 3.38Å; Y55-H94 AromaticContact CE1-CD2 3.29Å; Y55-H94 WeakPolarHBondContact CE1-CD2 3.46Å; Y55-H94 AromaticContact CE1-NE2 3.19Å; Y55-H94 WeakPolarHBondContact CE1-NE2 3.44Å; Y55-H94 AromaticContact CZ-CD2 3.42Å; Y55-H94 VanDerWaalsContact CZ-CD2 3.42Å; Y55-H94 AromaticContact CZ-NE2 3.69Å; Y55-H94 PolarHBondContact OH-CD2 2.69Å; Y55-L97 HydrophobicContact CD1-CD2 3.75Å; Y55-L97 HydrophobicContact CD2-CD2 4.18Å; Y55-L97 HydrophobicContact CG-CD2 3.45Å; Y55-L97 VanDerWaalsContact CG-CD2 3.45Å
56D62.3Low50.4Low103 Ų10396.7 Ų96.755%0.55156%0.557SS**EExtended strand (participates in β ladder)trans-96.1134.1168.4-171.2-103.3000110S58 N83D56-S58 VanDerWaalsContact C-N 3.35Å; D56-S58 PolarHBondContact O-N 2.95Å; D56-S58 WeakPolarHBondContact OD1-CB 3.37Å; D56-S58 PolarHBondContact OD1-N 3.48Å; D56-N83 PolarHBondContact N-O 3.49Å; D56-N83 VanDerWaalsContact N-O 3.09Å; D56-N83 PolarHBondContact O-N 3.27Å
57L58.8Low49.8Very low69 Ų6997.9 Ų97.936%0.36156%0.563SS.*  trans-90.473172.3-173.275.6000108.7V7 G59 R80 L82V7-L57 HydrophobicContact CG1-CD2 4.4Å; L57-G59 PolarHBondContact O-N 2.87Å; L57-R80 HydrophobicContact CD1-CB 4.17Å; L57-L82 HydrophobicContact CD1-CD2 3.35Å; L57-L82 HydrophobicContact CD1-CG 4.37Å
58S58.3Low48.9Very low19 Ų1997.9 Ų97.913%0.13356%0.563CS.*  trans-77.7107.217640.40000110.3D56 F60 N83D56-S58 VanDerWaalsContact C-N 3.35Å; D56-S58 PolarHBondContact O-N 2.95Å; D56-S58 WeakPolarHBondContact OD1-CB 3.37Å; D56-S58 PolarHBondContact OD1-N 3.48Å; S58-F60 VanDerWaalsContact C-N 3.32Å; S58-F60 PolarHBondContact O-N 2.86Å; S58-N83 PolarHBondContact OG-ND2 2.97Å; S58-N83 PolarHBondContact OG-OD1 2.87Å
59G44.3Very low48.3Very low43 Ų43106.1 Ų106.144%0.44359%0.587SS.*  trans-83.77.417900000115.6L57L57-G59 PolarHBondContact O-N 2.87Å
60F40.1Very low47.6Very low172 Ų172108.1 Ų108.175%0.75459%0.593SS**SBendtrans-152.7126.4-174.352.5-85.6000109.6S58S58-F60 VanDerWaalsContact C-N 3.32Å; S58-F60 PolarHBondContact O-N 2.86Å
61A33.9Very low47.2Very low98 Ų98110.6 Ų110.681%0.8161%0.613SS**  trans50.9122.2163.900000117.2
62A41.1Very low46.4Very low95 Ų95115.6 Ų115.679%0.78564%0.64SS**  -169.3136.56000000108G64A62-G64 PolarHBondContact O-N 3.17Å
63M38.2Very low45.4Very low202 Ų202116 Ų116100%0.99566%0.659SS**  trans-56.8131.4172.8-63.7-179.962.800110.7
64G37.2Very low44.4Very low65 Ų65116 Ų11667%0.6766%0.659SS**  trans-176.84117800000114.2A62A62-G64 PolarHBondContact O-N 3.17Å
65N43.1Very low43.2Very low148 Ų148124.7 Ų124.779%0.79170%0.699SS**  trans-172.5126.4145.7-106.5-45.1000112Q67N65-Q67 PolarHBondContact O-N 3.45Å; N65-Q67 VanDerWaalsContact O-N 3.13Å
66E33.7Very low42.1Very low182 Ų182128.7 Ų128.785%0.8572%0.723SS**  trans-76.189.9-177.6-169.7-179.795.800110.3
67Q44Very low41.6Very low181 Ų181128.9 Ų128.985%0.84674%0.739SS**  trans-13887.3161.9-131.687.171.800108.6N65N65-Q67 PolarHBondContact O-N 3.45Å; N65-Q67 VanDerWaalsContact O-N 3.13Å
68G34.2Very low41.2Very low77 Ų77130.7 Ų130.779%0.79475%0.749SS**  trans-62.7158.2-163.900000116.7
69R41Very low41.5Very low236 Ų236136.7 Ų136.789%0.89177%0.773SS**  trans-157.6112130.4-158.6170.3-178.3113.7-3.4108.5
70K32.3Very low42.6Very low210 Ų210141.5 Ų141.591%0.91378%0.778SS**  trans-74.1121.2165.8-63.6178.1178.2-179.50107.1
71S45.1Very low44.4Very low89 Ų89135 Ų13562%0.62275%0.751SS**  trans-144.6100.1160.3430000106.5
72N35.8Very low46.5Very low156 Ų156130.9 Ų130.983%0.83472%0.716SS**  trans56.5122157.1-54-18.6000116.6E74N72-E74 PolarHBondContact O-N 2.92Å
73G35.9Very low48.5Very low80 Ų80128.9 Ų128.983%0.82569%0.692SS**  trans-58.4108.2178.300000111.5
74E37.8Very low50.7Low161 Ų161119.7 Ų119.775%0.75265%0.648SS**  trans-128109.6140.3-89.8162.5114.700103.9N72 D76N72-E74 PolarHBondContact O-N 2.92Å; E74-D76 PolarHBondContact O-N 3.14Å
75E42.1Very low53Low199 Ų199119.4 Ų119.493%0.9364%0.639SS**  trans-70.862.5173.2-64.1172105.200108.1A77E75-A77 PolarHBondContact O-N 3.46Å
76D45.5Very low55Low118 Ų118117.6 Ų117.663%0.63162%0.624SS**  trans-71106.4176.2-87.2-61.2000108.6E74 N78E74-D76 PolarHBondContact O-N 3.14Å; D76-N78 PolarHBondContact O-N 2.91Å
77A51.7Low57.6Low107 Ų107110.6 Ų110.688%0.88460%0.595SS**THydrogen-bonded Turntrans-64.628.7-171.700000115.8E75E75-A77 PolarHBondContact O-N 3.46Å
78N51Low59.6Low107 Ų107109.2 Ų109.257%0.57259%0.593SS**THydrogen-bonded Turntrans-158.146.9174.1-151.8-34.2000111.9D76 R80D76-N78 PolarHBondContact O-N 2.91Å; N78-R80 VanDerWaalsContact C-N 3.3Å; N78-R80 PolarHBondContact O-N 2.95Å; N78-R80 WeakPolarHBondContact OD1-CG 3.41Å
79F62.8Low62.1Low144 Ų144111 Ų11163%0.63258%0.579SS**  trans-70.589.1175-170.4-105.9000110.6V81 T92F79-V81 HydrophobicContact CD1-CG1 3.67Å; F79-V81 HydrophobicContact CE1-CG1 3.59Å; F79-V81 PolarHBondContact O-N 2.92Å; F79-T92 HydrophobicContact CE1-CG2 3.63Å; F79-T92 HydrophobicContact CZ-CG2 3.34Å
80R67.3Low64.2Low145 Ų145103.5 Ų103.555%0.54756%0.559SS.*  trans-68125176-67.6-177.6-179.5-176.9-1.8109.9L57 N78L57-R80 HydrophobicContact CD1-CB 4.17Å; N78-R80 VanDerWaalsContact C-N 3.3Å; N78-R80 PolarHBondContact O-N 2.95Å; N78-R80 WeakPolarHBondContact OD1-CG 3.41Å
81V78.3Confident66.5Low34 Ų3495.2 Ų95.221%0.20652%0.524CS..  trans-107.3157.8171.2-64.30000110.1F79 V90F79-V81 HydrophobicContact CD1-CG1 3.67Å; F79-V81 HydrophobicContact CE1-CG1 3.59Å; F79-V81 PolarHBondContact O-N 2.92Å; V81-V90 HydrophobicContact CB-CG1 3.57Å; V81-V90 HydrophobicContact CG1-CG1 4.04Å; V81-V90 HydrophobicContact CG2-CG1 3.93Å
82L78.6Confident67.9Low13 Ų1394.8 Ų94.87%0.06852%0.518CS..EExtended strand (participates in β ladder)trans-118.8122.3-179.8-57.7163.8000108.9Y55 L57 F91 H94 L97Y55-L82 HydrophobicContact CD2-CB 4.48Å; Y55-L82 HydrophobicContact CD2-CD2 3.54Å; Y55-L82 HydrophobicContact CE2-CD2 3.52Å; L57-L82 HydrophobicContact CD1-CD2 3.35Å; L57-L82 HydrophobicContact CD1-CG 4.37Å; L82-F91 PolarHBondContact N-O 2.96Å; L82-F91 PolarHBondContact O-N 3.12Å; L82-H94 HydrophobicContact CD1-CB 3.8Å; L82-H94 VanDerWaalsContact CD1-N 3.25Å; L82-L97 HydrophobicContact CB-CD2 3.56Å; L82-L97 HydrophobicContact CD1-CD2 4.33Å; L82-L97 HydrophobicContact CG-CD2 4.47Å
83N83.2Confident69.7Low52 Ų5292.1 Ų92.128%0.27850%0.498SS..EExtended strand (participates in β ladder)trans-100.5132.1-177.3-68.120.6000109.3Y55 D56 S58 A85Y55-N83 CarbonylContact C-O 3.55Å; Y55-N83 WeakPolarHBondContact CA-O 3.43Å; Y55-N83 WeakPolarHBondContact CB-O 3.38Å; D56-N83 PolarHBondContact N-O 3.49Å; D56-N83 VanDerWaalsContact N-O 3.09Å; D56-N83 PolarHBondContact O-N 3.27Å; S58-N83 PolarHBondContact OG-ND2 2.97Å; S58-N83 PolarHBondContact OG-OD1 2.87Å; N83-A85 PolarHBondContact O-N 3.36Å
84C85Confident71.5Confident9 Ų988.6 Ų88.66%0.06146%0.461CS..EExtended strand (participates in β ladder)trans-64.7130.5173.5-179.80000110.7F86 C87 K89 F91 L97 H100C84-F86 PolarHBondContact O-N 3.4Å; C84-F86 PolarHBondContact SG-N 2.78Å; C84-C87 CarbonylContact C-O 3.58Å; C84-C87 WeakPolarHBondContact CB-O 3.29Å; C84-K89 PolarHBondContact N-O 3.29Å; C84-F91 HydrophobicContact CB-CE2 4.31Å; C84-L97 HydrophobicContact CB-CD1 3.62Å; C84-H100 PolarHBondContact SG-NE2 3.4Å
85A85.1Confident73.2Confident59 Ų5982.3 Ų82.349%0.48843%0.434SS..THydrogen-bonded Turntrans-68.7-19.1178.800000113.2E53 Q54 N83E53-A85 WeakPolarHBondContact O-CB 3.44Å; Q54-A85 VanDerWaalsContact C-CB 3.45Å; Q54-A85 WeakPolarHBondContact O-CB 3.46Å; Q54-A85 PolarHBondContact O-N 2.8Å; N83-A85 PolarHBondContact O-N 3.36Å
86F85.3Confident75Confident111 Ų11176.7 Ų76.749%0.48741%0.41SS..THydrogen-bonded Turntrans-104.6-10.3-174.8-50.3-73.5000113.6Q54 C84 I101 H105Q54-F86 HydrophobicContact CB-CE2 4.38Å; Q54-F86 HydrophobicContact CG-CE2 4.09Å; Q54-F86 HydrophobicContact CG-CZ 4.41Å; C84-F86 PolarHBondContact O-N 3.4Å; C84-F86 PolarHBondContact SG-N 2.78Å; F86-I101 HydrophobicContact CD2-CD1 4.26Å; F86-I101 HydrophobicContact CD2-CG1 4.3Å; F86-I101 HydrophobicContact CD2-CG2 4.09Å; F86-I101 HydrophobicContact CE2-CD1 4.23Å; F86-I101 HydrophobicContact CE2-CG2 3.8Å; F86-H105 HydrophobicContact CB-CB 4.39Å; F86-H105 VanDerWaalsContact CB-CE1 3.43Å; F86-H105 WeakPolarHBondContact CB-CE1 3.29Å; F86-H105 WeakPolarHBondContact CB-ND1 3.28Å; F86-H105 HydrophobicContact CD2-CB 4.14Å; F86-H105 HydrophobicContact CG-CB 4.32Å
87C88.2Confident76.5Confident35 Ų3571 Ų7124%0.23638%0.38CS..SBendtrans-159.3165.417474.80000112.1C84 K89 H100 H105C84-C87 CarbonylContact C-O 3.58Å; C84-C87 WeakPolarHBondContact CB-O 3.29Å; C87-K89 PolarHBondContact O-N 3.32Å; C87-H100 VanDerWaalsContact SG-CE1 3.57Å; C87-H100 PolarHBondContact SG-NE2 3.14Å; C87-H105 PolarHBondContact SG-NE2 2.85Å
88N86.1Confident77.7Confident151 Ų15166.7 Ų66.781%0.80734%0.342SS*.SBendtrans-77.825.9-175.6-60.4-14.3000114.4
89K86.8Confident79Confident114 Ų11463.5 Ų63.550%0.49633%0.326SS..  trans-84.7133.3176.3-73.8-173179.6-67.40110.5C84 C87 F91C84-K89 PolarHBondContact N-O 3.29Å; C87-K89 PolarHBondContact O-N 3.32Å; K89-F91 HydrophobicContact CB-CD2 4.5Å; K89-F91 HydrophobicContact CB-CE2 3.53Å; K89-F91 HydrophobicContact CB-CZ 3.84Å; K89-F91 HydrophobicContact CD-CZ 4.3Å
90V84.4Confident80.1Confident79 Ų7957.5 Ų57.548%0.47930%0.3SS..EExtended strand (participates in β ladder)trans-108.2139.9-179.3-176.80000109.5V81V81-V90 HydrophobicContact CB-CG1 3.57Å; V81-V90 HydrophobicContact CG1-CG1 4.04Å; V81-V90 HydrophobicContact CG2-CG1 3.93Å
91F79.6Confident80.8Confident36 Ų3650.6 Ų50.616%0.15827%0.274CS..EExtended strand (participates in β ladder)trans-133146.6-178-60.2-93.2000110.1L82 C84 K89 N96 L97 H100L82-F91 PolarHBondContact N-O 2.96Å; L82-F91 PolarHBondContact O-N 3.12Å; C84-F91 HydrophobicContact CB-CE2 4.31Å; K89-F91 HydrophobicContact CB-CD2 4.5Å; K89-F91 HydrophobicContact CB-CE2 3.53Å; K89-F91 HydrophobicContact CB-CZ 3.84Å; K89-F91 HydrophobicContact CD-CZ 4.3Å; F91-N96 HydrophobicContact CD1-CB 3.81Å; F91-L97 HydrophobicContact CB-CB 3.89Å; F91-L97 HydrophobicContact CD1-CB 4.48Å; F91-L97 HydrophobicContact CD2-CB 3.83Å; F91-L97 HydrophobicContact CD2-CD1 3.47Å; F91-L97 VanDerWaalsContact CD2-CD1 3.47Å; F91-L97 HydrophobicContact CD2-CG 4.2Å; F91-L97 HydrophobicContact CE2-CD1 3.68Å; F91-L97 HydrophobicContact CG-CB 3.8Å; F91-L97 HydrophobicContact CG-CD1 4.32Å; F91-H100 HydrophobicContact CE1-CB 3.81Å; F91-H100 HydrophobicContact CE2-CB 4.15Å; F91-H100 AromaticContact CE2-CD2 3.51Å; F91-H100 AromaticContact CE2-CG 3.86Å; F91-H100 HydrophobicContact CZ-CB 3.39Å; F91-H100 AromaticContact CZ-CD2 3.48Å; F91-H100 VanDerWaalsContact CZ-CD2 3.48Å; F91-H100 WeakPolarHBondContact CZ-CD2 3.38Å; F91-H100 AromaticContact CZ-CG 3.31Å; F91-H100 AromaticContact CZ-ND1 4Å
92T75.5Confident81.1Confident81 Ų8151.4 Ų51.450%0.49728%0.275SS..SBendtrans-96.5-11.2179.161.50000112.1F79F79-T92 HydrophobicContact CE1-CG2 3.63Å; F79-T92 HydrophobicContact CZ-CG2 3.34Å
93K73.7Confident81.4Confident99 Ų9952.7 Ų52.743%0.4329%0.288SS..SBendtrans-132.1132.5-179.4-59.2-171.8179.3-168.60110C95 N96 L97K93-C95 VanDerWaalsContact C-N 3.28Å; K93-C95 PolarHBondContact O-N 3.28Å; K93-N96 HydrophobicContact CB-CB 4.46Å; K93-N96 PolarHBondContact O-N 3.46Å; K93-N96 VanDerWaalsContact O-N 3.12Å; K93-L97 PolarHBondContact O-N 3.3Å
94H73.8Confident81.6Confident7 Ų754.7 Ų54.73%0.03230%0.301CS..Hα-helixtrans-58.7-39.3179178.4-98.6000112.8T10 I50 Y55 L82 N96 L97 N98T10-H94 VanDerWaalsContact OG1-CB 3.25Å; T10-H94 WeakPolarHBondContact OG1-CB 3.48Å; I50-H94 WeakPolarHBondContact CG2-CE1 3.31Å; I50-H94 WeakPolarHBondContact CG2-NE2 3.5Å; Y55-H94 AromaticContact CE1-CD2 3.29Å; Y55-H94 WeakPolarHBondContact CE1-CD2 3.46Å; Y55-H94 AromaticContact CE1-NE2 3.19Å; Y55-H94 WeakPolarHBondContact CE1-NE2 3.44Å; Y55-H94 AromaticContact CZ-CD2 3.42Å; Y55-H94 VanDerWaalsContact CZ-CD2 3.42Å; Y55-H94 AromaticContact CZ-NE2 3.69Å; Y55-H94 PolarHBondContact OH-CD2 2.69Å; L82-H94 HydrophobicContact CD1-CB 3.8Å; L82-H94 VanDerWaalsContact CD1-N 3.25Å; H94-N96 VanDerWaalsContact C-N 3.27Å; H94-N96 PolarHBondContact O-N 3.36Å; H94-L97 PolarHBondContact O-N 3.23Å; H94-N98 WeakPolarHBondContact O-CB 3.22Å; H94-N98 PolarHBondContact O-N 3.4Å
95C74.3Confident81.7Confident28 Ų2857.5 Ų57.519%0.18931%0.313CS..Hα-helixtrans-59.8-36.7177.961.80000113.1C25 K93 T99C25-C95 HydrophobicContact CB-CB 3.33Å; K93-C95 VanDerWaalsContact C-N 3.28Å; K93-C95 PolarHBondContact O-N 3.28Å; C95-T99 VanDerWaalsContact O-CB 3.31Å; C95-T99 WeakPolarHBondContact O-CB 3.38Å; C95-T99 PolarHBondContact O-N 3.35Å; C95-T99 PolarHBondContact O-OG1 3.42Å
96N78.4Confident81.7Confident81 Ų8159.9 Ų59.943%0.43331%0.313SS..Hα-helixtrans-72.2-42.3179.7-72-6.7000111F91 K93 H94 T99 H100F91-N96 HydrophobicContact CD1-CB 3.81Å; K93-N96 HydrophobicContact CB-CB 4.46Å; K93-N96 PolarHBondContact O-N 3.46Å; K93-N96 VanDerWaalsContact O-N 3.12Å; H94-N96 VanDerWaalsContact C-N 3.27Å; H94-N96 PolarHBondContact O-N 3.36Å; N96-T99 PolarHBondContact O-N 3.14Å; N96-H100 WeakPolarHBondContact O-CB 3.38Å; N96-H100 PolarHBondContact O-N 3.4Å
97L78Confident81.7Confident0 Ų057.2 Ų57.20%032%0.317CS..Hα-helixtrans-62.2-50.6174.9171.960.9000112.1Y55 L82 C84 F91 K93 H94 T99 H100 I101Y55-L97 HydrophobicContact CD1-CD2 3.75Å; Y55-L97 HydrophobicContact CD2-CD2 4.18Å; Y55-L97 HydrophobicContact CG-CD2 3.45Å; Y55-L97 VanDerWaalsContact CG-CD2 3.45Å; L82-L97 HydrophobicContact CB-CD2 3.56Å; L82-L97 HydrophobicContact CD1-CD2 4.33Å; L82-L97 HydrophobicContact CG-CD2 4.47Å; C84-L97 HydrophobicContact CB-CD1 3.62Å; F91-L97 HydrophobicContact CB-CB 3.89Å; F91-L97 HydrophobicContact CD1-CB 4.48Å; F91-L97 HydrophobicContact CD2-CB 3.83Å; F91-L97 HydrophobicContact CD2-CD1 3.47Å; F91-L97 VanDerWaalsContact CD2-CD1 3.47Å; F91-L97 HydrophobicContact CD2-CG 4.2Å; F91-L97 HydrophobicContact CE2-CD1 3.68Å; F91-L97 HydrophobicContact CG-CB 3.8Å; F91-L97 HydrophobicContact CG-CD1 4.32Å; K93-L97 PolarHBondContact O-N 3.3Å; H94-L97 PolarHBondContact O-N 3.23Å; L97-T99 VanDerWaalsContact C-N 3.29Å; L97-T99 PolarHBondContact O-N 3.35Å; L97-H100 CarbonylContact O-C 3.59Å; L97-H100 WeakPolarHBondContact O-CA 3.42Å; L97-H100 VanDerWaalsContact O-CB 3.29Å; L97-H100 WeakPolarHBondContact O-CB 3.39Å; L97-H100 PolarHBondContact O-N 3.35Å; L97-I101 HydrophobicContact CD1-CD1 3.81Å; L97-I101 HydrophobicContact CD1-CG1 4.11Å; L97-I101 HydrophobicContact CG-CD1 4.1Å; L97-I101 WeakPolarHBondContact O-CG1 3.1Å; L97-I101 PolarHBondContact O-N 3.31Å
98N77Confident81.4Confident16 Ų1658.7 Ų58.79%0.08632%0.324CS..Hα-helixtrans-58.5-43177.4-176.131.2000111.5L26 H94 H100 I101 K102L26-N98 WeakPolarHBondContact CD2-ND2 3.13Å; H94-N98 WeakPolarHBondContact O-CB 3.22Å; H94-N98 PolarHBondContact O-N 3.4Å; N98-H100 VanDerWaalsContact C-N 3.31Å; N98-H100 PolarHBondContact O-N 3.43Å; N98-I101 PolarHBondContact O-N 2.75Å; N98-K102 PolarHBondContact ND2-NZ 3.48Å; N98-K102 WeakPolarHBondContact O-CB 3.07Å; N98-K102 WeakPolarHBondContact O-CG 3.49Å; N98-K102 PolarHBondContact O-N 3.31Å; N98-K102 VanDerWaalsContact OD1-CE 3.3Å; N98-K102 WeakPolarHBondContact OD1-CE 3.45Å
99T78.2Confident81.4Confident39 Ų3957.7 Ų57.724%0.23931%0.313CS..Hα-helixtrans-59.6-43.5173.6-59.30000111.3C95 N96 L97 A103 T121 R122C95-T99 VanDerWaalsContact O-CB 3.31Å; C95-T99 WeakPolarHBondContact O-CB 3.38Å; C95-T99 PolarHBondContact O-N 3.35Å; C95-T99 PolarHBondContact O-OG1 3.42Å; N96-T99 PolarHBondContact O-N 3.14Å; L97-T99 VanDerWaalsContact C-N 3.29Å; L97-T99 PolarHBondContact O-N 3.35Å; T99-A103 VanDerWaalsContact O-CB 3.28Å; T99-A103 WeakPolarHBondContact O-CB 3.38Å; T99-A103 PolarHBondContact O-N 3.4Å; T99-T121 HydrophobicContact CG2-CG2 4.1Å; T99-R122 HydrophobicContact CG2-CG 3.62Å
100H84.5Confident80.9Confident18 Ų1855.4 Ų55.48%0.08331%0.31CS..Hα-helixtrans-60.9-46.1176.3158.168.1000111.8C84 C87 F91 N96 L97 N98 A103 V104 H105C84-H100 PolarHBondContact SG-NE2 3.4Å; C87-H100 VanDerWaalsContact SG-CE1 3.57Å; C87-H100 PolarHBondContact SG-NE2 3.14Å; F91-H100 HydrophobicContact CE1-CB 3.81Å; F91-H100 HydrophobicContact CE2-CB 4.15Å; F91-H100 AromaticContact CE2-CD2 3.51Å; F91-H100 AromaticContact CE2-CG 3.86Å; F91-H100 HydrophobicContact CZ-CB 3.39Å; F91-H100 AromaticContact CZ-CD2 3.48Å; F91-H100 VanDerWaalsContact CZ-CD2 3.48Å; F91-H100 WeakPolarHBondContact CZ-CD2 3.38Å; F91-H100 AromaticContact CZ-CG 3.31Å; F91-H100 AromaticContact CZ-ND1 4Å; N96-H100 WeakPolarHBondContact O-CB 3.38Å; N96-H100 PolarHBondContact O-N 3.4Å; L97-H100 CarbonylContact O-C 3.59Å; L97-H100 WeakPolarHBondContact O-CA 3.42Å; L97-H100 VanDerWaalsContact O-CB 3.29Å; L97-H100 WeakPolarHBondContact O-CB 3.39Å; L97-H100 PolarHBondContact O-N 3.35Å; N98-H100 VanDerWaalsContact C-N 3.31Å; N98-H100 PolarHBondContact O-N 3.43Å; H100-A103 PolarHBondContact O-N 3.09Å; H100-V104 WeakPolarHBondContact ND1-CG2 3.33Å; H100-V104 WeakPolarHBondContact O-CB 3.43Å; H100-V104 WeakPolarHBondContact O-CG2 3.43Å; H100-V104 PolarHBondContact O-N 3.32Å; H100-H105 AromaticContact CE1-CD2 3.96Å; H100-H105 AromaticContact CE1-NE2 3.53Å; H100-H105 AromaticContact NE2-CD2 3.59Å; H100-H105 AromaticContact NE2-NE2 3.23Å; H100-H105 PolarHBondContact NE2-NE2 2.97Å
101I83.8Confident81Confident0 Ų053.5 Ų53.50%030%0.295CS..Iπ-helixtrans-64.6-45.7-179.7-66.5177.7000111Q54 F86 L97 N98 A103 H105 K106Q54-I101 HydrophobicContact CB-CD1 3.59Å; Q54-I101 HydrophobicContact CG-CD1 4.35Å; Q54-I101 WeakPolarHBondContact O-CD1 3.47Å; F86-I101 HydrophobicContact CD2-CD1 4.26Å; F86-I101 HydrophobicContact CD2-CG1 4.3Å; F86-I101 HydrophobicContact CD2-CG2 4.09Å; F86-I101 HydrophobicContact CE2-CD1 4.23Å; F86-I101 HydrophobicContact CE2-CG2 3.8Å; L97-I101 HydrophobicContact CD1-CD1 3.81Å; L97-I101 HydrophobicContact CD1-CG1 4.11Å; L97-I101 HydrophobicContact CG-CD1 4.1Å; L97-I101 WeakPolarHBondContact O-CG1 3.1Å; L97-I101 PolarHBondContact O-N 3.31Å; N98-I101 PolarHBondContact O-N 2.75Å; I101-A103 VanDerWaalsContact C-N 3.33Å; I101-A103 PolarHBondContact O-N 3.2Å; I101-H105 HydrophobicContact CG2-CB 4.32Å; I101-H105 WeakPolarHBondContact O-CA 3.4Å; I101-H105 WeakPolarHBondContact O-CB 3.42Å; I101-H105 PolarHBondContact O-N 3.23Å; I101-K106 HydrophobicContact CG2-CD 4.4Å; I101-K106 HydrophobicContact CG2-CG 4.28Å; I101-K106 PolarHBondContact O-N 3.47Å
102K82.6Confident81.5Confident51 Ų5157 Ų5722%0.22231%0.312CS..Iπ-helixtrans-57.6-46.1173.9-72.6175179.7178.20111.5N98 K106 G107 V108 T121N98-K102 PolarHBondContact ND2-NZ 3.48Å; N98-K102 WeakPolarHBondContact O-CB 3.07Å; N98-K102 WeakPolarHBondContact O-CG 3.49Å; N98-K102 PolarHBondContact O-N 3.31Å; N98-K102 VanDerWaalsContact OD1-CE 3.3Å; N98-K102 WeakPolarHBondContact OD1-CE 3.45Å; K102-K106 CarbonylContact O-C 3.57Å; K102-G107 CarbonylContact O-C 3.58Å; K102-G107 PolarHBondContact O-N 3.3Å; K102-V108 HydrophobicContact CB-CB 4.32Å; K102-V108 PolarHBondContact O-N 3.27Å; K102-T121 HydrophobicContact CB-CG2 4.24Å
103A85.7Confident82.4Confident41 Ų4153.1 Ų53.134%0.33929%0.288SS..Iπ-helixtrans-69.5-50.3-177.200000113.4T99 H100 I101 T121T99-A103 VanDerWaalsContact O-CB 3.28Å; T99-A103 WeakPolarHBondContact O-CB 3.38Å; T99-A103 PolarHBondContact O-N 3.4Å; H100-A103 PolarHBondContact O-N 3.09Å; I101-A103 VanDerWaalsContact C-N 3.33Å; I101-A103 PolarHBondContact O-N 3.2Å; A103-T121 HydrophobicContact CB-CG2 3.51Å
104V87.7Confident83.4Confident93 Ų9353.4 Ų53.456%0.56430%0.298SS*.Iπ-helixtrans-95.2-39.2-164.7-179.30000111.5H100H100-V104 WeakPolarHBondContact ND1-CG2 3.33Å; H100-V104 WeakPolarHBondContact O-CB 3.43Å; H100-V104 WeakPolarHBondContact O-CG2 3.43Å; H100-V104 PolarHBondContact O-N 3.32Å
105H87.1Confident84.3Confident68 Ų6860.1 Ų60.132%0.31532%0.324SS..Iπ-helixtrans-100.9-37.4-171.8-63.4-62.5000112.8F86 C87 H100 I101F86-H105 HydrophobicContact CB-CB 4.39Å; F86-H105 VanDerWaalsContact CB-CE1 3.43Å; F86-H105 WeakPolarHBondContact CB-CE1 3.29Å; F86-H105 WeakPolarHBondContact CB-ND1 3.28Å; F86-H105 HydrophobicContact CD2-CB 4.14Å; F86-H105 HydrophobicContact CG-CB 4.32Å; C87-H105 PolarHBondContact SG-NE2 2.85Å; H100-H105 AromaticContact CE1-CD2 3.96Å; H100-H105 AromaticContact CE1-NE2 3.53Å; H100-H105 AromaticContact NE2-CD2 3.59Å; H100-H105 AromaticContact NE2-NE2 3.23Å; H100-H105 PolarHBondContact NE2-NE2 2.97Å; I101-H105 HydrophobicContact CG2-CB 4.32Å; I101-H105 WeakPolarHBondContact O-CA 3.4Å; I101-H105 WeakPolarHBondContact O-CB 3.42Å; I101-H105 PolarHBondContact O-N 3.23Å
106K84.9Confident85.4Confident110 Ų11061.6 Ų61.648%0.47833%0.334SS..SBendtrans-98.4-14.4179.9-57.8-170.6168.9-1750113.9I101 K102 V108I101-K106 HydrophobicContact CG2-CD 4.4Å; I101-K106 HydrophobicContact CG2-CG 4.28Å; I101-K106 PolarHBondContact O-N 3.47Å; K102-K106 CarbonylContact O-C 3.57Å; K106-V108 HydrophobicContact CB-CB 4.45Å; K106-V108 HydrophobicContact CB-CG2 3.68Å; K106-V108 PolarHBondContact O-N 3.46Å; K106-V108 VanDerWaalsContact O-N 3.16Å
107G84.6Confident86.2Confident55 Ų5565.6 Ų65.657%0.56735%0.345SS*.  trans61.818.2-174.900000114.2K102K102-G107 CarbonylContact O-C 3.58Å; K102-G107 PolarHBondContact O-N 3.3Å
108V82.5Confident87Confident66 Ų6671.4 Ų71.440%0.437%0.37SS..  trans-81133.6-175.9179.60000110.2K102 K106K102-V108 HydrophobicContact CB-CB 4.32Å; K102-V108 PolarHBondContact O-N 3.27Å; K106-V108 HydrophobicContact CB-CB 4.45Å; K106-V108 HydrophobicContact CB-CG2 3.68Å; K106-V108 PolarHBondContact O-N 3.46Å; K106-V108 VanDerWaalsContact O-N 3.16Å
109K85.4Confident87.7Confident129 Ų12971.5 Ų71.556%0.56138%0.375SS*.  trans-126.981.7-179.7-71170.7175.6-176.20109F111 F120K109-F111 PolarHBondContact O-N 2.95Å; K109-F120 CarbonylContact C-O 3.51Å; K109-F120 VanDerWaalsContact C-O 3.31Å; K109-F120 WeakPolarHBondContact CA-O 3.47Å
110P78Confident88.2Confident67 Ų6771 Ų7144%0.43537%0.369SS..  trans-72.6-13.9-170.729.3-32.9000113.5
111F84.9Confident88.1Confident39 Ų3971.5 Ų71.517%0.17137%0.374CS..EExtended strand (participates in β ladder)trans-104.8110.3-179.2-56.5-76.3000109.8K109 G119 F120 T121 R122 N123 L126K109-F111 PolarHBondContact O-N 2.95Å; F111-G119 CarbonylContact O-C 3.56Å; F111-G119 WeakPolarHBondContact O-CA 3.46Å; F111-F120 HydrophobicContact CB-CB 4.34Å; F111-F120 PolarHBondContact N-O 3.42Å; F111-F120 VanDerWaalsContact N-O 3.13Å; F111-F120 WeakPolarHBondContact O-CA 3.36Å; F111-F120 PolarHBondContact O-N 2.92Å; F111-T121 WeakPolarHBondContact CE2-O 3.1Å; F111-R122 VanDerWaalsContact CD2-C 3.46Å; F111-N123 HydrophobicContact CD1-CB 3.83Å; F111-N123 HydrophobicContact CD2-CB 4.47Å; F111-N123 HydrophobicContact CE1-CB 3.67Å; F111-N123 HydrophobicContact CE2-CB 4.32Å; F111-N123 HydrophobicContact CG-CB 4.24Å; F111-N123 HydrophobicContact CZ-CB 3.93Å; F111-L126 HydrophobicContact CB-CB 4.21Å; F111-L126 HydrophobicContact CB-CD2 3.92Å
112E91.8Very high88Confident109 Ų10977.5 Ų77.551%0.50940%0.396SS..EExtended strand (participates in β ladder)trans-108.9139.7-178.8-171.8177.180.100111.4T114 Y117E112-T114 PolarHBondContact O-N 3.25Å; E112-Y117 WeakPolarHBondContact OE1-CD1 3.25Å
113C93.9Very high88Confident0 Ų077.6 Ų77.60%040%0.399CS..  trans-74121.7173.1-177.80000111Y115 C116 Y117 K118 F120 L126 H129 H134C113-Y115 PolarHBondContact O-N 3.32Å; C113-C116 PolarHBondContact O-N 2.99Å; C113-Y117 WeakPolarHBondContact O-CA 3.41Å; C113-Y117 PolarHBondContact O-N 3.35Å; C113-K118 PolarHBondContact N-O 2.81Å; C113-F120 HydrophobicContact CB-CE2 4.24Å; C113-L126 HydrophobicContact CB-CD1 3.66Å; C113-H129 PolarHBondContact SG-NE2 3.46Å; C113-H134 VanDerWaalsContact SG-CD2 3.58Å; C113-H134 PolarHBondContact SG-NE2 2.85Å; C113-H134 VanDerWaalsContact SG-NE2 3.4Å
114T94.1Very high87.9Confident105 Ų10578.3 Ų78.364%0.64440%0.402SS*.THydrogen-bonded Turntrans-68.8-15.2179.553.20000114.2E112E112-T114 PolarHBondContact O-N 3.25Å
115Y93.9Very high88Confident147 Ų14775.7 Ų75.758%0.57639%0.385SS*.THydrogen-bonded Turntrans-89.8-33.1179.3-61.7-77.1000113.6C113 I130 H134C113-Y115 PolarHBondContact O-N 3.32Å; Y115-I130 HydrophobicContact CE2-CG2 4.09Å; Y115-H134 VanDerWaalsContact CB-CE1 3.45Å; Y115-H134 WeakPolarHBondContact CB-CE1 3.15Å; Y115-H134 HydrophobicContact CD2-CB 4.1Å; Y115-H134 AromaticContact CD2-CD2 3.78Å; Y115-H134 AromaticContact CD2-CG 3.85Å; Y115-H134 HydrophobicContact CE2-CB 4.43Å; Y115-H134 HydrophobicContact CG-CB 4.38Å; Y115-H134 AromaticContact CG-CG 3.92Å
116C96.6Very high88.1Confident59 Ų5973.3 Ų73.340%0.39937%0.374SS..THydrogen-bonded Turntrans-134.75.7-17567.80000114.6C113 K118 H129 H134C113-C116 PolarHBondContact O-N 2.99Å; C116-K118 PolarHBondContact O-N 3.02Å; C116-H129 PolarHBondContact SG-NE2 3.46Å; C116-H134 PolarHBondContact SG-NE2 3.12Å
117Y94.4Very high88.3Confident166 Ų16672.5 Ų72.565%0.65137%0.372SS*.  trans56.322.4178.9-52.2-75.7000114.5E112 C113 G119E112-Y117 WeakPolarHBondContact OE1-CD1 3.25Å; C113-Y117 WeakPolarHBondContact O-CA 3.41Å; C113-Y117 PolarHBondContact O-N 3.35Å; Y117-G119 PolarHBondContact O-N 3.26Å
118K95.8Very high88.6Confident121 Ų12174.9 Ų74.953%0.52637%0.367SS..  trans-76.9123.5175.2-170.1172.4-176.6-177.80109.9C113 C116 F120C113-K118 PolarHBondContact N-O 2.81Å; C116-K118 PolarHBondContact O-N 3.02Å; K118-F120 HydrophobicContact CB-CE2 4.04Å; K118-F120 HydrophobicContact CB-CZ 4.31Å; K118-F120 HydrophobicContact CD-CE2 4.44Å; K118-F120 HydrophobicContact CD-CZ 3.89Å; K118-F120 HydrophobicContact CG-CE2 4.04Å; K118-F120 HydrophobicContact CG-CZ 3.96Å; K118-F120 VanDerWaalsContact O-CD2 3.22Å; K118-F120 WeakPolarHBondContact O-CD2 3.34Å; K118-F120 WeakPolarHBondContact O-CE2 3.47Å
119G90.4Very high89.2Confident18 Ų1872.9 Ų72.919%0.18635%0.353CS..EExtended strand (participates in β ladder)trans-80.5145.4175.300000114.4F111 Y117F111-G119 CarbonylContact O-C 3.56Å; F111-G119 WeakPolarHBondContact O-CA 3.46Å; Y117-G119 PolarHBondContact O-N 3.26Å
120F89.3Confident89.7Confident30 Ų3067.8 Ų67.813%0.13233%0.331CS..EExtended strand (participates in β ladder)trans-134.6150.6177.7-60.5-90.5000110.7K109 F111 C113 K118 D125 L126 H129K109-F120 CarbonylContact C-O 3.51Å; K109-F120 VanDerWaalsContact C-O 3.31Å; K109-F120 WeakPolarHBondContact CA-O 3.47Å; F111-F120 HydrophobicContact CB-CB 4.34Å; F111-F120 PolarHBondContact N-O 3.42Å; F111-F120 VanDerWaalsContact N-O 3.13Å; F111-F120 WeakPolarHBondContact O-CA 3.36Å; F111-F120 PolarHBondContact O-N 2.92Å; C113-F120 HydrophobicContact CB-CE2 4.24Å; K118-F120 HydrophobicContact CB-CE2 4.04Å; K118-F120 HydrophobicContact CB-CZ 4.31Å; K118-F120 HydrophobicContact CD-CE2 4.44Å; K118-F120 HydrophobicContact CD-CZ 3.89Å; K118-F120 HydrophobicContact CG-CE2 4.04Å; K118-F120 HydrophobicContact CG-CZ 3.96Å; K118-F120 VanDerWaalsContact O-CD2 3.22Å; K118-F120 WeakPolarHBondContact O-CD2 3.34Å; K118-F120 WeakPolarHBondContact O-CE2 3.47Å; F120-D125 HydrophobicContact CD1-CB 4.06Å; F120-L126 HydrophobicContact CB-CB 4.3Å; F120-L126 HydrophobicContact CD2-CB 3.96Å; F120-L126 HydrophobicContact CD2-CD1 3.77Å; F120-L126 HydrophobicContact CD2-CG 4.46Å; F120-L126 HydrophobicContact CE2-CD1 3.88Å; F120-L126 HydrophobicContact CG-CB 4.21Å; F120-H129 HydrophobicContact CE1-CB 3.81Å; F120-H129 HydrophobicContact CE2-CB 4.07Å; F120-H129 AromaticContact CE2-CD2 3.49Å; F120-H129 VanDerWaalsContact CE2-CD2 3.49Å; F120-H129 WeakPolarHBondContact CE2-CD2 3.22Å; F120-H129 AromaticContact CE2-CG 3.79Å; F120-H129 HydrophobicContact CZ-CB 3.41Å; F120-H129 VanDerWaalsContact CZ-CB 3.41Å; F120-H129 AromaticContact CZ-CD2 3.44Å; F120-H129 VanDerWaalsContact CZ-CD2 3.44Å; F120-H129 WeakPolarHBondContact CZ-CD2 3.11Å; F120-H129 AromaticContact CZ-CG 3.23Å; F120-H129 AromaticContact CZ-ND1 3.79Å
121T83Confident90.5Very high28 Ų2866.9 Ų66.917%0.17232%0.323CS..SBendtrans-87.6-18.2178.5-42.80000113.4T99 K102 A103 F111T99-T121 HydrophobicContact CG2-CG2 4.1Å; K102-T121 HydrophobicContact CB-CG2 4.24Å; A103-T121 HydrophobicContact CB-CG2 3.51Å; F111-T121 WeakPolarHBondContact CE2-O 3.1Å
122R81.8Confident90.9Very high126 Ų12666.4 Ų66.448%0.47533%0.326SS..SBendtrans-127.6139.1178.5-62.8-179.6-63.5-170.61.7111.1T99 F111 S124 D125 L126T99-R122 HydrophobicContact CG2-CG 3.62Å; F111-R122 VanDerWaalsContact CD2-C 3.46Å; R122-S124 VanDerWaalsContact C-N 3.29Å; R122-S124 PolarHBondContact O-N 2.89Å; R122-D125 HydrophobicContact CB-CB 4.43Å; R122-D125 IonicContact CZ-OD1 3.12Å; R122-D125 IonicContact CZ-OD2 2.76Å; R122-D125 IonicContact NE-OD1 3.95Å; R122-D125 IonicContact NE-OD2 3.73Å; R122-D125 PolarHBondContact NE-OD2 3.03Å; R122-D125 VanDerWaalsContact NH2-CG 3.33Å; R122-D125 IonicContact NH2-OD1 3.74Å; R122-D125 PolarHBondContact NH2-OD1 2.88Å; R122-D125 VanDerWaalsContact NH2-OD1 3.12Å; R122-D125 IonicContact NH2-OD2 2.72Å; R122-D125 PolarHBondContact NH2-OD2 3.13Å; R122-D125 PolarHBondContact O-N 2.97Å; R122-L126 PolarHBondContact O-N 2.93Å
123N81.7Confident91.1Very high52 Ų5265.6 Ų65.628%0.27833%0.328SS..Hα-helixtrans-60.2-39177-168.427.7000112.4F111 D125 L126 H127F111-N123 HydrophobicContact CD1-CB 3.83Å; F111-N123 HydrophobicContact CD2-CB 4.47Å; F111-N123 HydrophobicContact CE1-CB 3.67Å; F111-N123 HydrophobicContact CE2-CB 4.32Å; F111-N123 HydrophobicContact CG-CB 4.24Å; F111-N123 HydrophobicContact CZ-CB 3.93Å; N123-D125 PolarHBondContact O-N 3.37Å; N123-L126 WeakPolarHBondContact O-CB 3.43Å; N123-L126 PolarHBondContact O-N 3.3Å; N123-L126 VanDerWaalsContact O-N 3.14Å; N123-H127 PolarHBondContact ND2-NE2 3.13Å; N123-H127 PolarHBondContact O-CD2 3.45Å; N123-H127 PolarHBondContact O-N 3.26Å; N123-H127 PolarHBondContact OD1-CD2 3.05Å; N123-H127 PolarHBondContact OD1-NE2 2.95Å
124S84.8Confident91.1Very high57 Ų5769 Ų6940%0.39934%0.344SS..Hα-helixtrans-60-31.7176.662.10000113.1R122 K128R122-S124 VanDerWaalsContact C-N 3.29Å; R122-S124 PolarHBondContact O-N 2.89Å; S124-K128 WeakPolarHBondContact O-CD 3.42Å; S124-K128 WeakPolarHBondContact O-CG 3.23Å; S124-K128 PolarHBondContact O-N 2.8Å; S124-K128 VanDerWaalsContact O-N 3.13Å
125D88.6Confident91.2Very high38 Ų3869.8 Ų69.820%0.20334%0.338CS..Hα-helixtrans-77.6-35.7178.7-63.9-24.7000111.2F120 R122 N123 K128 H129F120-D125 HydrophobicContact CD1-CB 4.06Å; R122-D125 HydrophobicContact CB-CB 4.43Å; R122-D125 IonicContact CZ-OD1 3.12Å; R122-D125 IonicContact CZ-OD2 2.76Å; R122-D125 IonicContact NE-OD1 3.95Å; R122-D125 IonicContact NE-OD2 3.73Å; R122-D125 PolarHBondContact NE-OD2 3.03Å; R122-D125 VanDerWaalsContact NH2-CG 3.33Å; R122-D125 IonicContact NH2-OD1 3.74Å; R122-D125 PolarHBondContact NH2-OD1 2.88Å; R122-D125 VanDerWaalsContact NH2-OD1 3.12Å; R122-D125 IonicContact NH2-OD2 2.72Å; R122-D125 PolarHBondContact NH2-OD2 3.13Å; R122-D125 PolarHBondContact O-N 2.97Å; N123-D125 PolarHBondContact O-N 3.37Å; D125-K128 IonicContact OD1-NZ 2.92Å; D125-H129 VanDerWaalsContact O-CB 3.32Å; D125-H129 WeakPolarHBondContact O-CB 3.14Å; D125-H129 PolarHBondContact O-N 3.29Å
126L89.9Confident91.1Very high17 Ų1764.8 Ų64.89%0.08933%0.332CS..Hα-helixtrans-60.1-49.2170.6170.760.2000111F111 C113 F120 R122 N123 K128 H129 I130F111-L126 HydrophobicContact CB-CB 4.21Å; F111-L126 HydrophobicContact CB-CD2 3.92Å; C113-L126 HydrophobicContact CB-CD1 3.66Å; F120-L126 HydrophobicContact CB-CB 4.3Å; F120-L126 HydrophobicContact CD2-CB 3.96Å; F120-L126 HydrophobicContact CD2-CD1 3.77Å; F120-L126 HydrophobicContact CD2-CG 4.46Å; F120-L126 HydrophobicContact CE2-CD1 3.88Å; F120-L126 HydrophobicContact CG-CB 4.21Å; R122-L126 PolarHBondContact O-N 2.93Å; N123-L126 WeakPolarHBondContact O-CB 3.43Å; N123-L126 PolarHBondContact O-N 3.3Å; N123-L126 VanDerWaalsContact O-N 3.14Å; L126-K128 PolarHBondContact O-N 3.44Å; L126-H129 WeakPolarHBondContact O-CA 3.48Å; L126-H129 WeakPolarHBondContact O-CB 3.47Å; L126-H129 PolarHBondContact O-N 2.91Å; L126-H129 VanDerWaalsContact O-N 3.12Å; L126-I130 HydrophobicContact CD1-CD1 3.8Å; L126-I130 HydrophobicContact CD1-CG1 4.01Å; L126-I130 HydrophobicContact CG-CD1 3.95Å; L126-I130 WeakPolarHBondContact O-CG1 3.43Å; L126-I130 PolarHBondContact O-N 2.7Å
127H89.2Confident90.9Very high94 Ų9466 Ų6644%0.43533%0.334SS..Hα-helixtrans-60.6-47.1178.4-78.7-63.2000112.3N123 H129 I130 D131N123-H127 PolarHBondContact ND2-NE2 3.13Å; N123-H127 PolarHBondContact O-CD2 3.45Å; N123-H127 PolarHBondContact O-N 3.26Å; N123-H127 PolarHBondContact OD1-CD2 3.05Å; N123-H127 PolarHBondContact OD1-NE2 2.95Å; H127-H129 PolarHBondContact O-N 3.2Å; H127-I130 PolarHBondContact O-N 3.29Å; H127-I130 VanDerWaalsContact O-N 3.17Å; H127-D131 WeakPolarHBondContact O-CB 3.16Å; H127-D131 PolarHBondContact O-N 3.44Å
128K91.1Very high90.9Very high105 Ų10563.8 Ų63.846%0.45733%0.328SS..Hα-helixtrans-56.9-39173.9-72.3168.2-167.7169.80112.1S124 D125 L126 A132S124-K128 WeakPolarHBondContact O-CD 3.42Å; S124-K128 WeakPolarHBondContact O-CG 3.23Å; S124-K128 PolarHBondContact O-N 2.8Å; S124-K128 VanDerWaalsContact O-N 3.13Å; D125-K128 IonicContact OD1-NZ 2.92Å; L126-K128 PolarHBondContact O-N 3.44Å; K128-A132 WeakPolarHBondContact O-CB 3.19Å; K128-A132 PolarHBondContact O-N 2.81Å
129H95Very high90.6Very high23 Ų2362.6 Ų62.611%0.10633%0.333CS..Hα-helixtrans-65.3-48.5176.216170.3000111.9C113 C116 F120 D125 L126 H127 D131 A132 V133 H134C113-H129 PolarHBondContact SG-NE2 3.46Å; C116-H129 PolarHBondContact SG-NE2 3.46Å; F120-H129 HydrophobicContact CE1-CB 3.81Å; F120-H129 HydrophobicContact CE2-CB 4.07Å; F120-H129 AromaticContact CE2-CD2 3.49Å; F120-H129 VanDerWaalsContact CE2-CD2 3.49Å; F120-H129 WeakPolarHBondContact CE2-CD2 3.22Å; F120-H129 AromaticContact CE2-CG 3.79Å; F120-H129 HydrophobicContact CZ-CB 3.41Å; F120-H129 VanDerWaalsContact CZ-CB 3.41Å; F120-H129 AromaticContact CZ-CD2 3.44Å; F120-H129 VanDerWaalsContact CZ-CD2 3.44Å; F120-H129 WeakPolarHBondContact CZ-CD2 3.11Å; F120-H129 AromaticContact CZ-CG 3.23Å; F120-H129 AromaticContact CZ-ND1 3.79Å; D125-H129 VanDerWaalsContact O-CB 3.32Å; D125-H129 WeakPolarHBondContact O-CB 3.14Å; D125-H129 PolarHBondContact O-N 3.29Å; L126-H129 WeakPolarHBondContact O-CA 3.48Å; L126-H129 WeakPolarHBondContact O-CB 3.47Å; L126-H129 PolarHBondContact O-N 2.91Å; L126-H129 VanDerWaalsContact O-N 3.12Å; H127-H129 PolarHBondContact O-N 3.2Å; H129-D131 VanDerWaalsContact C-N 3.33Å; H129-D131 PolarHBondContact O-N 2.73Å; H129-A132 PolarHBondContact O-N 3.44Å; H129-V133 WeakPolarHBondContact ND1-CG2 3.43Å; H129-V133 VanDerWaalsContact O-CB 3.32Å; H129-V133 WeakPolarHBondContact O-CB 3.43Å; H129-V133 WeakPolarHBondContact O-CG2 3.45Å; H129-V133 PolarHBondContact O-N 3.49Å; H129-H134 AromaticContact CE1-NE2 3.75Å; H129-H134 AromaticContact NE2-CD2 3.73Å; H129-H134 AromaticContact NE2-NE2 3.35Å; H129-H134 PolarHBondContact NE2-NE2 2.79Å
130I95.5Very high90.9Very high22 Ų2265.4 Ų65.411%0.11334%0.34CS..Iπ-helixtrans-58-48.9178.1-69.3168000110.1Y115 L126 H127 A132 H134 K135Y115-I130 HydrophobicContact CE2-CG2 4.09Å; L126-I130 HydrophobicContact CD1-CD1 3.8Å; L126-I130 HydrophobicContact CD1-CG1 4.01Å; L126-I130 HydrophobicContact CG-CD1 3.95Å; L126-I130 WeakPolarHBondContact O-CG1 3.43Å; L126-I130 PolarHBondContact O-N 2.7Å; H127-I130 PolarHBondContact O-N 3.29Å; H127-I130 VanDerWaalsContact O-N 3.17Å; I130-A132 PolarHBondContact O-N 3.13Å; I130-H134 WeakPolarHBondContact O-CA 3.44Å; I130-H134 WeakPolarHBondContact O-CB 3.19Å; I130-H134 PolarHBondContact O-N 3.26Å; I130-K135 HydrophobicContact CG2-CG 4.33Å; I130-K135 PolarHBondContact O-N 3.27Å
131D94.5Very high91.1Very high49 Ų4965.3 Ų65.326%0.26235%0.348SS..Iπ-helixtrans-64.2-43.7-177.9-69-21.3000111.1H127 H129 K135 G136 L137H127-D131 WeakPolarHBondContact O-CB 3.16Å; H127-D131 PolarHBondContact O-N 3.44Å; H129-D131 VanDerWaalsContact C-N 3.33Å; H129-D131 PolarHBondContact O-N 2.73Å; D131-K135 CarbonylContact O-C 3.56Å; D131-K135 WeakPolarHBondContact OD1-CD 3.42Å; D131-K135 WeakPolarHBondContact OD1-CE 3.21Å; D131-K135 IonicContact OD1-NZ 3.45Å; D131-K135 PolarHBondContact OD1-NZ 2.8Å; D131-G136 CarbonylContact O-C 3.23Å; D131-G136 PolarHBondContact O-N 3.32Å; D131-L137 HydrophobicContact CB-CB 4.22Å; D131-L137 HydrophobicContact CB-CD1 4.22Å; D131-L137 PolarHBondContact O-N 2.82Å
132A94.1Very high91.7Very high28 Ų2864 Ų6423%0.23134%0.34CS..Iπ-helixtrans-72.8-41.2-178.400000114.2K128 H129 I130K128-A132 WeakPolarHBondContact O-CB 3.19Å; K128-A132 PolarHBondContact O-N 2.81Å; H129-A132 PolarHBondContact O-N 3.44Å; I130-A132 PolarHBondContact O-N 3.13Å
133V94.7Very high92.3Very high93 Ų9366.6 Ų66.656%0.56436%0.357SS*.Iπ-helixtrans-98.6-41.5-168.7-179.30000111.9H129H129-V133 WeakPolarHBondContact ND1-CG2 3.43Å; H129-V133 VanDerWaalsContact O-CB 3.32Å; H129-V133 WeakPolarHBondContact O-CB 3.43Å; H129-V133 WeakPolarHBondContact O-CG2 3.45Å; H129-V133 PolarHBondContact O-N 3.49Å
134H95.8Very high92.8Very high71 Ų7169.2 Ų69.233%0.32938%0.375SS..Iπ-helixtrans-98.6-40.5-172.5-64.5-60.1000112.5C113 Y115 C116 H129 I130C113-H134 VanDerWaalsContact SG-CD2 3.58Å; C113-H134 PolarHBondContact SG-NE2 2.85Å; C113-H134 VanDerWaalsContact SG-NE2 3.4Å; Y115-H134 VanDerWaalsContact CB-CE1 3.45Å; Y115-H134 WeakPolarHBondContact CB-CE1 3.15Å; Y115-H134 HydrophobicContact CD2-CB 4.1Å; Y115-H134 AromaticContact CD2-CD2 3.78Å; Y115-H134 AromaticContact CD2-CG 3.85Å; Y115-H134 HydrophobicContact CE2-CB 4.43Å; Y115-H134 HydrophobicContact CG-CB 4.38Å; Y115-H134 AromaticContact CG-CG 3.92Å; C116-H134 PolarHBondContact SG-NE2 3.12Å; H129-H134 AromaticContact CE1-NE2 3.75Å; H129-H134 AromaticContact NE2-CD2 3.73Å; H129-H134 AromaticContact NE2-NE2 3.35Å; H129-H134 PolarHBondContact NE2-NE2 2.79Å; I130-H134 WeakPolarHBondContact O-CA 3.44Å; I130-H134 WeakPolarHBondContact O-CB 3.19Å; I130-H134 PolarHBondContact O-N 3.26Å
135K94.7Very high93.3Very high121 Ų12169.3 Ų69.353%0.52638%0.375SS..SBendtrans-89.6-16.3175.8-58.4-174.7-171.7157.90113.6I130 D131 L137I130-K135 HydrophobicContact CG2-CG 4.33Å; I130-K135 PolarHBondContact O-N 3.27Å; D131-K135 CarbonylContact O-C 3.56Å; D131-K135 WeakPolarHBondContact OD1-CD 3.42Å; D131-K135 WeakPolarHBondContact OD1-CE 3.21Å; D131-K135 IonicContact OD1-NZ 3.45Å; D131-K135 PolarHBondContact OD1-NZ 2.8Å; K135-L137 HydrophobicContact CB-CD1 4.21Å; K135-L137 HydrophobicContact CB-CG 3.76Å; K135-L137 HydrophobicContact CD-CD1 3.87Å; K135-L137 HydrophobicContact CD-CG 4.34Å; K135-L137 PolarHBondContact O-N 3.47Å
136G92.3Very high93.5Very high43 Ų4374 Ų7444%0.44340%0.395SS..  trans63.620.7-17600000114.1D131 K138D131-G136 CarbonylContact O-C 3.23Å; D131-G136 PolarHBondContact O-N 3.32Å; G136-K138 PolarHBondContact O-N 3.36Å
137L93.3Very high93.8Very high85 Ų8580.9 Ų80.945%0.44542%0.42SS..  trans-68.1130.3179.6-63.8-179.1000110.5D131 K135D131-L137 HydrophobicContact CB-CB 4.22Å; D131-L137 HydrophobicContact CB-CD1 4.22Å; D131-L137 PolarHBondContact O-N 2.82Å; K135-L137 HydrophobicContact CB-CD1 4.21Å; K135-L137 HydrophobicContact CB-CG 3.76Å; K135-L137 HydrophobicContact CD-CD1 3.87Å; K135-L137 HydrophobicContact CD-CG 4.34Å; K135-L137 PolarHBondContact O-N 3.47Å
138K92.8Very high94.1Very high119 Ų11980.4 Ų80.452%0.51742%0.421SS..  trans-133.670.8179-64.3176.8-174.11750109.7G136 F140 N148 F149G136-K138 PolarHBondContact O-N 3.36Å; K138-F140 PolarHBondContact O-N 3.17Å; K138-N148 HydrophobicContact CB-CB 3.71Å; K138-N148 HydrophobicContact CD-CB 4.35Å; K138-F149 CarbonylContact C-O 3.56Å; K138-F149 VanDerWaalsContact C-O 3.23Å; K138-F149 VanDerWaalsContact CA-O 3.25Å; K138-F149 WeakPolarHBondContact CA-O 3.41Å
139P91Very high94.3Very high96 Ų9676.9 Ų76.962%0.62341%0.406SS*.  trans-71-12-17128.5-34.6000113.7
140F95Very high94.2Very high76 Ų7677.9 Ų77.933%0.33342%0.415SS..EExtended strand (participates in β ladder)trans-101.899.3-175.9-55.5-74000110.7K138 N148 F149 Q151 K152 L155K138-F140 PolarHBondContact O-N 3.17Å; F140-N148 CarbonylContact O-C 3.47Å; F140-N148 WeakPolarHBondContact O-CA 3.26Å; F140-F149 HydrophobicContact CB-CB 4.48Å; F140-F149 PolarHBondContact N-O 3.38Å; F140-F149 VanDerWaalsContact N-O 3.15Å; F140-F149 PolarHBondContact O-N 3.32Å; F140-Q151 VanDerWaalsContact CD2-C 3.46Å; F140-K152 HydrophobicContact CD1-CB 4.1Å; F140-K152 HydrophobicContact CE1-CB 3.96Å; F140-K152 HydrophobicContact CE2-CB 4.39Å; F140-K152 HydrophobicContact CG-CB 4.39Å; F140-K152 HydrophobicContact CZ-CB 4.11Å; F140-L155 HydrophobicContact CB-CB 4.23Å; F140-L155 HydrophobicContact CB-CD2 3.89Å
141G95.2Very high94Very high29 Ų2980.6 Ų80.630%0.29943%0.428SS..EExtended strand (participates in β ladder)trans-86.9143.6174.700000112.9N148 L155G141-N148 WeakPolarHBondContact CA-OD1 3.3Å; G141-L155 WeakPolarHBondContact O-CD2 3.24Å
142C95.7Very high93.9Very high1 Ų185.7 Ų85.71%0.00745%0.447CS..  trans-81.1120.9163.8176.60000109.4V144 C145 Q146 R147 F149 L155 H158C142-V144 PolarHBondContact O-N 3.24Å; C142-V144 PolarHBondContact SG-N 3.13Å; C142-C145 VanDerWaalsContact SG-SG 3.69Å; C142-Q146 WeakPolarHBondContact O-CA 3.46Å; C142-Q146 PolarHBondContact O-N 2.98Å; C142-R147 PolarHBondContact N-O 3.24Å; C142-F149 HydrophobicContact CB-CE2 4.32Å; C142-L155 HydrophobicContact CB-CD1 3.68Å; C142-H158 PolarHBondContact SG-NE2 3.32Å; C142-H158 VanDerWaalsContact SG-NE2 3.44Å
143E93.5Very high93.9Very high179 Ų17987.8 Ų87.884%0.83646%0.46SS*.THydrogen-bonded Turntrans-68.2-21.6-178.9-63.2177.197.200113Q146E143-Q146 PolarHBondContact O-NE2 2.94Å
144V92.9Very high93.9Very high107 Ų10785 Ų8565%0.64845%0.445SS*.THydrogen-bonded Turntrans-82.3-50.5-178.3-174.30000112C142C142-V144 PolarHBondContact O-N 3.24Å; C142-V144 PolarHBondContact SG-N 3.13Å
145C95.4Very high93.9Very high60 Ų6082.7 Ų82.741%0.40544%0.435SS..THydrogen-bonded Turntrans-111.43.4-176.572.80000114.4C142 R147 H158C142-C145 VanDerWaalsContact SG-SG 3.69Å; C145-R147 PolarHBondContact O-N 3.16Å; C145-R147 VanDerWaalsContact SG-CB 3.56Å; C145-H158 VanDerWaalsContact SG-CE1 3.57Å; C145-H158 PolarHBondContact SG-NE2 2.85Å
146Q92.8Very high93.9Very high135 Ų13582.8 Ų82.863%0.63144%0.435SS*.  trans58.118.1179.7-56-62.7-9.500114.9C142 E143 N148C142-Q146 WeakPolarHBondContact O-CA 3.46Å; C142-Q146 PolarHBondContact O-N 2.98Å; E143-Q146 PolarHBondContact O-NE2 2.94Å; Q146-N148 PolarHBondContact O-ND2 2.91Å
147R95.3Very high94Very high162 Ų16289.2 Ų89.261%0.61145%0.446SS*.  trans-77.6130.6175.4-170170.1-177.1170.42.9110.5C142 C145 F149C142-R147 PolarHBondContact N-O 3.24Å; C145-R147 PolarHBondContact O-N 3.16Å; C145-R147 VanDerWaalsContact SG-CB 3.56Å; R147-F149 HydrophobicContact CB-CE2 4.02Å; R147-F149 HydrophobicContact CB-CZ 4.21Å; R147-F149 HydrophobicContact CG-CE2 3.98Å; R147-F149 HydrophobicContact CG-CZ 3.82Å; R147-F149 WeakPolarHBondContact O-CD2 3.44Å; R147-F149 VanDerWaalsContact O-CE2 3.25Å; R147-F149 WeakPolarHBondContact O-CE2 3.47Å
148N94.8Very high94Very high85 Ų8586.1 Ų86.146%0.45543%0.43SS..EExtended strand (participates in β ladder)trans-97.2143.1-178.8-64.5-69.5000112.7K138 F140 G141 Q146K138-N148 HydrophobicContact CB-CB 3.71Å; K138-N148 HydrophobicContact CD-CB 4.35Å; F140-N148 CarbonylContact O-C 3.47Å; F140-N148 WeakPolarHBondContact O-CA 3.26Å; G141-N148 WeakPolarHBondContact CA-OD1 3.3Å; Q146-N148 PolarHBondContact O-ND2 2.91Å
149F95.4Very high94.1Very high31 Ų3183.6 Ų83.614%0.13642%0.421CS..EExtended strand (participates in β ladder)trans-130.1147.1-178.1-58.6-90.5000111.2K138 F140 C142 R147 Q151 L155 H158K138-F149 CarbonylContact C-O 3.56Å; K138-F149 VanDerWaalsContact C-O 3.23Å; K138-F149 VanDerWaalsContact CA-O 3.25Å; K138-F149 WeakPolarHBondContact CA-O 3.41Å; F140-F149 HydrophobicContact CB-CB 4.48Å; F140-F149 PolarHBondContact N-O 3.38Å; F140-F149 VanDerWaalsContact N-O 3.15Å; F140-F149 PolarHBondContact O-N 3.32Å; C142-F149 HydrophobicContact CB-CE2 4.32Å; R147-F149 HydrophobicContact CB-CE2 4.02Å; R147-F149 HydrophobicContact CB-CZ 4.21Å; R147-F149 HydrophobicContact CG-CE2 3.98Å; R147-F149 HydrophobicContact CG-CZ 3.82Å; R147-F149 WeakPolarHBondContact O-CD2 3.44Å; R147-F149 VanDerWaalsContact O-CE2 3.25Å; R147-F149 WeakPolarHBondContact O-CE2 3.47Å; F149-Q151 VanDerWaalsContact C-N 3.33Å; F149-L155 HydrophobicContact CB-CB 4.29Å; F149-L155 HydrophobicContact CD2-CB 3.93Å; F149-L155 HydrophobicContact CD2-CD1 3.76Å; F149-L155 HydrophobicContact CD2-CG 4.45Å; F149-L155 HydrophobicContact CE2-CD1 3.87Å; F149-L155 HydrophobicContact CG-CB 4.24Å; F149-H158 HydrophobicContact CE1-CB 3.96Å; F149-H158 HydrophobicContact CE2-CB 4.1Å; F149-H158 AromaticContact CE2-CD2 3.45Å; F149-H158 VanDerWaalsContact CE2-CD2 3.45Å; F149-H158 WeakPolarHBondContact CE2-CD2 3.3Å; F149-H158 AromaticContact CE2-CG 3.79Å; F149-H158 HydrophobicContact CZ-CB 3.5Å; F149-H158 AromaticContact CZ-CD2 3.45Å; F149-H158 VanDerWaalsContact CZ-CD2 3.45Å; F149-H158 WeakPolarHBondContact CZ-CD2 3.41Å; F149-H158 AromaticContact CZ-CG 3.3Å; F149-H158 AromaticContact CZ-ND1 3.89Å
150S92.6Very high94.2Very high43 Ų4382.5 Ų82.530%0.30141%0.407SS..SBendtrans-78.1-16.3177.154.20000113.8
151Q93Very high94Very high80 Ų8082.4 Ų82.437%0.37442%0.421SS..SBendtrans-136.9142.1-179.3-58.6-17424.800111.5F140 F149 S153 S154 L155F140-Q151 VanDerWaalsContact CD2-C 3.46Å; F149-Q151 VanDerWaalsContact C-N 3.33Å; Q151-S153 VanDerWaalsContact C-N 3.31Å; Q151-S153 PolarHBondContact O-N 2.99Å; Q151-S154 WeakPolarHBondContact O-CB 3.39Å; Q151-S154 PolarHBondContact O-N 3.49Å; Q151-S154 VanDerWaalsContact O-N 3.16Å; Q151-L155 PolarHBondContact O-N 3.45Å; Q151-L155 VanDerWaalsContact O-N 3.15Å
152K92.7Very high93.9Very high155 Ų15586.5 Ų86.567%0.67444%0.435SS*.Hα-helixtrans-59.6-38.1176.6-173173.9-176.5172.90113F140 S154 L155 K156F140-K152 HydrophobicContact CD1-CB 4.1Å; F140-K152 HydrophobicContact CE1-CB 3.96Å; F140-K152 HydrophobicContact CE2-CB 4.39Å; F140-K152 HydrophobicContact CG-CB 4.39Å; F140-K152 HydrophobicContact CZ-CB 4.11Å; K152-S154 VanDerWaalsContact C-N 3.33Å; K152-S154 PolarHBondContact O-N 2.68Å; K152-L155 PolarHBondContact O-N 3.25Å; K152-K156 WeakPolarHBondContact O-CB 3.23Å; K152-K156 PolarHBondContact O-N 3.29Å
153S93.5Very high93.6Very high73 Ų7389.7 Ų89.751%0.5145%0.449SS..Hα-helixtrans-62.2-39.9176.146.20000112.2Q151 K156 R157Q151-S153 VanDerWaalsContact C-N 3.31Å; Q151-S153 PolarHBondContact O-N 2.99Å; S153-K156 PolarHBondContact O-N 2.84Å; S153-R157 WeakPolarHBondContact O-CB 3.38Å; S153-R157 PolarHBondContact O-N 3.31Å
154S94.6Very high93.1Very high34 Ų3485 Ų8524%0.23843%0.428CS..Hα-helixtrans-64.9-41.9175.2-59.30000111.9Q151 K152 H158Q151-S154 WeakPolarHBondContact O-CB 3.39Å; Q151-S154 PolarHBondContact O-N 3.49Å; Q151-S154 VanDerWaalsContact O-N 3.16Å; K152-S154 VanDerWaalsContact C-N 3.33Å; K152-S154 PolarHBondContact O-N 2.68Å; S154-H158 WeakPolarHBondContact O-CB 3.5Å; S154-H158 PolarHBondContact O-N 2.86Å
155L95.5Very high92Very high23 Ų2383 Ų8312%0.1241%0.413CS..Hα-helixtrans-61.9-48.3173171.461.3000111.1F140 G141 C142 F149 Q151 K152 R157 H158 I159F140-L155 HydrophobicContact CB-CB 4.23Å; F140-L155 HydrophobicContact CB-CD2 3.89Å; G141-L155 WeakPolarHBondContact O-CD2 3.24Å; C142-L155 HydrophobicContact CB-CD1 3.68Å; F149-L155 HydrophobicContact CB-CB 4.29Å; F149-L155 HydrophobicContact CD2-CB 3.93Å; F149-L155 HydrophobicContact CD2-CD1 3.76Å; F149-L155 HydrophobicContact CD2-CG 4.45Å; F149-L155 HydrophobicContact CE2-CD1 3.87Å; F149-L155 HydrophobicContact CG-CB 4.24Å; Q151-L155 PolarHBondContact O-N 3.45Å; Q151-L155 VanDerWaalsContact O-N 3.15Å; K152-L155 PolarHBondContact O-N 3.25Å; L155-R157 PolarHBondContact O-N 3.41Å; L155-H158 WeakPolarHBondContact O-CB 3.46Å; L155-H158 PolarHBondContact O-N 2.85Å; L155-H158 VanDerWaalsContact O-N 3.1Å; L155-I159 HydrophobicContact CD1-CD1 3.78Å; L155-I159 HydrophobicContact CD1-CG1 4.01Å; L155-I159 HydrophobicContact CG-CD1 3.88Å; L155-I159 HydrophobicContact CG-CG1 4.49Å; L155-I159 WeakPolarHBondContact O-CG1 3.18Å; L155-I159 PolarHBondContact O-N 3.18Å
156K94.8Very high90.6Very high123 Ų12385.6 Ų85.654%0.53543%0.429SS..Hα-helixtrans-56.3-52.2179.6-173.1-174.2176.5-160.70111.2K152 S153 H158 I159 E160K152-K156 WeakPolarHBondContact O-CB 3.23Å; K152-K156 PolarHBondContact O-N 3.29Å; S153-K156 PolarHBondContact O-N 2.84Å; K156-H158 PolarHBondContact O-N 3.36Å; K156-I159 PolarHBondContact O-N 3.02Å; K156-I159 VanDerWaalsContact O-N 3.11Å; K156-E160 WeakPolarHBondContact CE-OE1 3.26Å; K156-E160 HydrophobicContact CG-CG 4.47Å; K156-E160 IonicContact NZ-OE1 3.16Å; K156-E160 PolarHBondContact NZ-OE1 2.69Å; K156-E160 WeakPolarHBondContact O-CG 3.45Å; K156-E160 PolarHBondContact O-N 2.77Å
157R93.8Very high89.3Confident177 Ų17788.7 Ų88.767%0.66844%0.435SS*.Hα-helixtrans-59.6-36.7177.4-175.5-179.165.2168.30.5112.1S153 L155 A161S153-R157 WeakPolarHBondContact O-CB 3.38Å; S153-R157 PolarHBondContact O-N 3.31Å; L155-R157 PolarHBondContact O-N 3.41Å; R157-A161 WeakPolarHBondContact O-CB 3.17Å; R157-A161 PolarHBondContact O-N 2.75Å
158H94.7Very high87.6Confident21 Ų2188.8 Ų88.810%0.09744%0.442CS..Hα-helixtrans-64.4-45.3175.7159.966.8000111.8C142 C145 F149 S154 L155 K156 A161 I162 H163C142-H158 PolarHBondContact SG-NE2 3.32Å; C142-H158 VanDerWaalsContact SG-NE2 3.44Å; C145-H158 VanDerWaalsContact SG-CE1 3.57Å; C145-H158 PolarHBondContact SG-NE2 2.85Å; F149-H158 HydrophobicContact CE1-CB 3.96Å; F149-H158 HydrophobicContact CE2-CB 4.1Å; F149-H158 AromaticContact CE2-CD2 3.45Å; F149-H158 VanDerWaalsContact CE2-CD2 3.45Å; F149-H158 WeakPolarHBondContact CE2-CD2 3.3Å; F149-H158 AromaticContact CE2-CG 3.79Å; F149-H158 HydrophobicContact CZ-CB 3.5Å; F149-H158 AromaticContact CZ-CD2 3.45Å; F149-H158 VanDerWaalsContact CZ-CD2 3.45Å; F149-H158 WeakPolarHBondContact CZ-CD2 3.41Å; F149-H158 AromaticContact CZ-CG 3.3Å; F149-H158 AromaticContact CZ-ND1 3.89Å; S154-H158 WeakPolarHBondContact O-CB 3.5Å; S154-H158 PolarHBondContact O-N 2.86Å; L155-H158 WeakPolarHBondContact O-CB 3.46Å; L155-H158 PolarHBondContact O-N 2.85Å; L155-H158 VanDerWaalsContact O-N 3.1Å; K156-H158 PolarHBondContact O-N 3.36Å; H158-A161 PolarHBondContact O-N 2.78Å; H158-I162 VanDerWaalsContact O-CB 3.29Å; H158-I162 WeakPolarHBondContact O-CB 3.43Å; H158-I162 WeakPolarHBondContact O-CG1 3.29Å; H158-I162 PolarHBondContact O-N 2.84Å; H158-H163 AromaticContact CE1-CD2 3.97Å; H158-H163 AromaticContact CE1-NE2 3.53Å; H158-H163 AromaticContact NE2-CD2 3.64Å; H158-H163 AromaticContact NE2-NE2 3.33Å; H158-H163 PolarHBondContact NE2-NE2 3.13Å
159I93.9Very high85.7Confident65 Ų6597.8 Ų97.833%0.33347%0.47SS..Hα-helixtrans-61-50.1175.8-65.1166.6000109.6L155 K156 A161 I162 H163 E164L155-I159 HydrophobicContact CD1-CD1 3.78Å; L155-I159 HydrophobicContact CD1-CG1 4.01Å; L155-I159 HydrophobicContact CG-CD1 3.88Å; L155-I159 HydrophobicContact CG-CG1 4.49Å; L155-I159 WeakPolarHBondContact O-CG1 3.18Å; L155-I159 PolarHBondContact O-N 3.18Å; K156-I159 PolarHBondContact O-N 3.02Å; K156-I159 VanDerWaalsContact O-N 3.11Å; I159-A161 VanDerWaalsContact C-N 3.28Å; I159-A161 PolarHBondContact O-N 2.86Å; I159-I162 PolarHBondContact O-N 2.87Å; I159-H163 HydrophobicContact CG2-CB 4.32Å; I159-H163 CarbonylContact O-C 3.31Å; I159-H163 WeakPolarHBondContact O-CA 3.38Å; I159-H163 WeakPolarHBondContact O-CB 3.39Å; I159-H163 PolarHBondContact O-N 3.21Å; I159-E164 PolarHBondContact O-N 2.83Å
160E92.8Very high85.2Confident73 Ų73101.2 Ų101.234%0.34149%0.486SS..Hα-helixtrans-60.1-34.5179.8-71.5172.4143.100112.9K156K156-E160 WeakPolarHBondContact CE-OE1 3.26Å; K156-E160 HydrophobicContact CG-CG 4.47Å; K156-E160 IonicContact NZ-OE1 3.16Å; K156-E160 PolarHBondContact NZ-OE1 2.69Å; K156-E160 WeakPolarHBondContact O-CG 3.45Å; K156-E160 PolarHBondContact O-N 2.77Å
161A91.5Very high84.8Confident74 Ų74104.2 Ų104.261%0.61250%0.496SS*.Hα-helixtrans-88.7-27.2-176.500000114.5R157 H158 I159R157-A161 WeakPolarHBondContact O-CB 3.17Å; R157-A161 PolarHBondContact O-N 2.75Å; H158-A161 PolarHBondContact O-N 2.78Å; I159-A161 VanDerWaalsContact C-N 3.28Å; I159-A161 PolarHBondContact O-N 2.86Å
162I92.1Very high84.3Confident116 Ų116105.6 Ų105.660%0.59550%0.503SS*.Hα-helixtrans-115.7-29.1-169.3-52.9-60.5000112.3H158 I159H158-I162 VanDerWaalsContact O-CB 3.29Å; H158-I162 WeakPolarHBondContact O-CB 3.43Å; H158-I162 WeakPolarHBondContact O-CG1 3.29Å; H158-I162 PolarHBondContact O-N 2.84Å; I159-I162 PolarHBondContact O-N 2.87Å
163H90.6Very high83.8Confident68 Ų68102.6 Ų102.632%0.31549%0.493SS..THydrogen-bonded Turntrans-120-17.1-171.8-60.1-52.3000113.5H158 I159H158-H163 AromaticContact CE1-CD2 3.97Å; H158-H163 AromaticContact CE1-NE2 3.53Å; H158-H163 AromaticContact NE2-CD2 3.64Å; H158-H163 AromaticContact NE2-NE2 3.33Å; H158-H163 PolarHBondContact NE2-NE2 3.13Å; I159-H163 HydrophobicContact CG2-CB 4.32Å; I159-H163 CarbonylContact O-C 3.31Å; I159-H163 WeakPolarHBondContact O-CA 3.38Å; I159-H163 WeakPolarHBondContact O-CB 3.39Å; I159-H163 PolarHBondContact O-N 3.21Å
164E82.4Confident83.2Confident81 Ų81104.5 Ų104.538%0.37949%0.492SS..SBendtrans-101.3129.1170.6-163.1172.79400109.5I159I159-E164 PolarHBondContact O-N 2.83Å
165D70.3Confident82.5Confident64 Ų64109.2 Ų109.234%0.34251%0.509SS..  trans-76.6121.5167.3176.3-82.4000107.5R167 H168D165-R167 PolarHBondContact O-N 3.3Å; D165-R167 WeakPolarHBondContact OD1-CA 3.26Å; D165-R167 WeakPolarHBondContact OD1-CB 2.87Å; D165-R167 PolarHBondContact OD1-N 3.16Å; D165-R167 IonicContact OD1-NE 3.27Å; D165-R167 PolarHBondContact OD1-NE 2.85Å; D165-R167 IonicContact OD1-NH2 3.91Å; D165-R167 IonicContact OD2-CZ 3.56Å; D165-R167 IonicContact OD2-NE 3.36Å; D165-R167 PolarHBondContact OD2-NE 3.38Å; D165-R167 IonicContact OD2-NH2 2.86Å; D165-R167 PolarHBondContact OD2-NH2 2.91Å; D165-H168 PolarHBondContact O-N 3.4Å; D165-H168 IonicContact OD1-ND1 3.21Å; D165-H168 PolarHBondContact OD1-ND1 3.28Å
166P65.2Low81.5Confident115 Ų115115.4 Ų115.475%0.74754%0.536SS*.THydrogen-bonded Turntrans-65-2.1-173.724.1-33.5000114.3
167R66Low80.5Confident200 Ų200114.8 Ų114.876%0.75554%0.537SS*.THydrogen-bonded Turntrans-102.81.7-177.6-51.6170-69.5175.6-3.6114.1D165D165-R167 PolarHBondContact O-N 3.3Å; D165-R167 WeakPolarHBondContact OD1-CA 3.26Å; D165-R167 WeakPolarHBondContact OD1-CB 2.87Å; D165-R167 PolarHBondContact OD1-N 3.16Å; D165-R167 IonicContact OD1-NE 3.27Å; D165-R167 PolarHBondContact OD1-NE 2.85Å; D165-R167 IonicContact OD1-NH2 3.91Å; D165-R167 IonicContact OD2-CZ 3.56Å; D165-R167 IonicContact OD2-NE 3.36Å; D165-R167 PolarHBondContact OD2-NE 3.38Å; D165-R167 IonicContact OD2-NH2 2.86Å; D165-R167 PolarHBondContact OD2-NH2 2.91Å
168H59.4Low79.4Confident163 Ų163109.6 Ų109.676%0.75553%0.526SS*.  trans-110.542.9-180-74.677.4000113.5D165D165-H168 PolarHBondContact O-N 3.4Å; D165-H168 IonicContact OD1-ND1 3.21Å; D165-H168 PolarHBondContact OD1-ND1 3.28Å
169R53.9Low78Confident275 Ų275117.6 Ų117.6100%1.03857%0.565SS**  trans-116.30162.1-96.9-155.5-178-126.5-2.1111.6

Retrieved 169 of 169 residues in 325.8 ms (Link to these results)

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