A0A077Z858_TRITR Loading...

Structural maintenance of chromosomes protein 5

AlphaFold DB , UniProt , Accession A0A077Z858, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 422 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
1M25.6Very low44.6Very low226 Ų22653.5 Ų53.5100%1.11329%0.286SS*.  0109.80-80.7176-173.300106.7
2L30Very low45.1Very low96 Ų9656.3 Ų56.350%0.50329%0.294SS..  trans-125.395.4159.3-74.8168.9000104.2Q82L2-Q82 WeakPolarHBondContact CD1-O 3.21Å; L2-Q82 WeakPolarHBondContact CD2-O 3.18Å
3P32.9Very low45.7Very low67 Ų6752.4 Ų52.444%0.43527%0.273SS..  trans-66.4155.815634.4-29.5000105.9
4N43.3Very low46.4Very low97 Ų9756.1 Ų56.152%0.51928%0.282SS..  trans91.840.8171.4-33.9-13.9000115.6V6 G366N4-V6 PolarHBondContact O-N 2.71Å; N4-G366 PolarHBondContact N-O 3.14Å
5G41Very low47Very low10 Ų1054.7 Ų54.710%0.10328%0.277CS..  trans-77.8107.8162.300000111.1I80G5-I80 VanDerWaalsContact CA-O 3.23Å; G5-I80 WeakPolarHBondContact CA-O 3.36Å
6V51Low47.8Very low22 Ų2252.6 Ų52.613%0.13327%0.266CS..EExtended strand (participates in β ladder)trans-84.3126.2173.8-1780000108.6N4 T8 P23 P25 I79 I80N4-V6 PolarHBondContact O-N 2.71Å; V6-T8 HydrophobicContact CG1-CG2 4.12Å; V6-P23 WeakPolarHBondContact CG1-O 3.47Å; V6-P25 HydrophobicContact CG2-CB 4.09Å; V6-P25 HydrophobicContact CG2-CG 3.72Å; V6-I79 WeakPolarHBondContact O-CA 3.4Å; V6-I80 HydrophobicContact CB-CB 4.26Å; V6-I80 HydrophobicContact CB-CD1 4.32Å; V6-I80 PolarHBondContact N-O 2.86Å; V6-I80 PolarHBondContact O-N 3.09Å
7V56.2Low48.9Very low0 Ų056.1 Ų56.10%029%0.285CS..EExtended strand (participates in β ladder)trans-99.6117176.5-178.30000109.7P9 P23 L45 V77 E78 I79 F329 Q368V7-P9 WeakPolarHBondContact O-CD 3.47Å; V7-P23 WeakPolarHBondContact O-CD 3.28Å; V7-P23 VanDerWaalsContact O-CG 3.3Å; V7-P23 WeakPolarHBondContact O-CG 3.46Å; V7-L45 HydrophobicContact CG1-CD2 4.1Å; V7-V77 HydrophobicContact CG1-CG1 3.37Å; V7-E78 CarbonylContact C-O 3.59Å; V7-E78 WeakPolarHBondContact CA-O 3.4Å; V7-I79 HydrophobicContact CG2-CD1 4.05Å; V7-I79 HydrophobicContact CG2-CG1 4.08Å; V7-I79 HydrophobicContact CG2-CG2 4.49Å; V7-F329 HydrophobicContact CB-CD1 4.23Å; V7-F329 HydrophobicContact CG2-CB 4.21Å; V7-F329 HydrophobicContact CG2-CD1 3.35Å; V7-F329 HydrophobicContact CG2-CE1 3.97Å; V7-F329 HydrophobicContact CG2-CG 4Å; V7-Q368 PolarHBondContact O-OE1 2.96Å
8T53.7Low50.1Low12 Ų1258.6 Ų58.67%0.07429%0.294CS..EExtended strand (participates in β ladder)trans-110.797.5177.849.80000109.9V6 M22 E78V6-T8 HydrophobicContact CG1-CG2 4.12Å; T8-M22 HydrophobicContact CG2-CB 4.27Å; T8-M22 HydrophobicContact CG2-CG 4.42Å; T8-E78 PolarHBondContact N-O 3.38Å; T8-E78 PolarHBondContact O-N 2.98Å; T8-E78 WeakPolarHBondContact OG1-CB 3.4Å; T8-E78 PolarHBondContact OG1-O 3.45Å
9P54.1Low51.3Low4 Ų455.6 Ų55.63%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-80.3124.3177.329.7-30.3000112V7 L11 V21 L45 E76 V77V7-P9 WeakPolarHBondContact O-CD 3.47Å; P9-L11 HydrophobicContact CB-CD1 3.91Å; P9-L11 HydrophobicContact CB-CG 4.27Å; P9-L11 HydrophobicContact CG-CD1 4.38Å; P9-V21 WeakPolarHBondContact CD-O 3.38Å; P9-V21 HydrophobicContact CG-CB 4.18Å; P9-V21 PolarHBondContact O-N 3.34Å; P9-V21 VanDerWaalsContact O-O 3.08Å; P9-L45 HydrophobicContact CB-CD2 3.95Å; P9-L45 HydrophobicContact CG-CD2 4.26Å; P9-E76 CarbonylContact C-O 3.58Å; P9-V77 HydrophobicContact CB-CG2 4.1Å
10K50Low52.5Low52 Ų5256.1 Ų56.123%0.22628%0.28CS..EExtended strand (participates in β ladder)trans-102.7124.4165.8-47.7-169.6-172.4-140.90109.2E20 E76K10-E20 VanDerWaalsContact CD-OE1 3.27Å; K10-E20 WeakPolarHBondContact CD-OE1 3.35Å; K10-E20 WeakPolarHBondContact CE-OE1 3.47Å; K10-E20 HydrophobicContact CG-CG 4.09Å; K10-E20 IonicContact NZ-OE1 3.48Å; K10-E20 PolarHBondContact NZ-OE1 3.44Å; K10-E76 CarbonylContact C-O 3.59Å; K10-E76 HydrophobicContact CB-CB 4.12Å; K10-E76 HydrophobicContact CB-CG 4.41Å; K10-E76 PolarHBondContact N-O 2.83Å; K10-E76 CarbonylContact O-C 3.57Å; K10-E76 PolarHBondContact O-N 2.87Å
11L52.7Low53.7Low3 Ų353.6 Ų53.62%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-128.1122.8-161.1-73.4158.9000112.3P9 F18 V19 L41 A44 V75P9-L11 HydrophobicContact CB-CD1 3.91Å; P9-L11 HydrophobicContact CB-CG 4.27Å; P9-L11 HydrophobicContact CG-CD1 4.38Å; L11-F18 CarbonylContact O-C 3.56Å; L11-V19 CarbonylContact C-O 3.57Å; L11-V19 WeakPolarHBondContact CA-O 3.33Å; L11-V19 HydrophobicContact CB-CB 4.39Å; L11-V19 WeakPolarHBondContact CB-O 3.34Å; L11-V19 PolarHBondContact N-O 2.99Å; L11-V19 PolarHBondContact O-N 3.34Å; L11-V19 VanDerWaalsContact O-O 3.05Å; L11-L41 HydrophobicContact CD1-CB 3.94Å; L11-L41 HydrophobicContact CD1-CD2 3.2Å; L11-L41 HydrophobicContact CD1-CG 4.08Å; L11-L41 HydrophobicContact CG-CD2 4.4Å; L11-A44 HydrophobicContact CD2-CB 2.99Å; L11-A44 HydrophobicContact CG-CB 4.4Å; L11-V75 HydrophobicContact CD2-CB 4.33Å; L11-V75 HydrophobicContact CD2-CG1 3.51Å; L11-V75 HydrophobicContact CD2-CG2 4.1Å; L11-V75 HydrophobicContact CG-CG1 4.5Å
12F50.4Low56.3Low86 Ų8647 Ų4738%0.37724%0.236SC..EExtended strand (participates in β ladder)trans-114.587.1165.1-59.7-100.3000107.6D17 F18 E74F12-D17 VanDerWaalsContact CD1-O 3.25Å; F12-D17 WeakPolarHBondContact CD1-O 3.48Å; F12-F18 HydrophobicContact CD1-CB 4.1Å; F12-F18 AromaticContact CD1-CD2 3.68Å; F12-F18 HydrophobicContact CD1-CD2 3.68Å; F12-F18 HydrophobicContact CD1-CG 4.36Å; F12-F18 HydrophobicContact CD2-CD2 4.04Å; F12-F18 HydrophobicContact CD2-CE2 4.37Å; F12-F18 HydrophobicContact CE1-CB 3.97Å; F12-F18 AromaticContact CE1-CD2 3.17Å; F12-F18 HydrophobicContact CE1-CD2 3.17Å; F12-F18 AromaticContact CE1-CE2 3.9Å; F12-F18 HydrophobicContact CE1-CE2 3.9Å; F12-F18 AromaticContact CE1-CG 3.9Å; F12-F18 HydrophobicContact CE1-CG 3.9Å; F12-F18 AromaticContact CE2-CD2 3.58Å; F12-F18 HydrophobicContact CE2-CD2 3.58Å; F12-F18 AromaticContact CE2-CE2 3.6Å; F12-F18 HydrophobicContact CE2-CE2 3.6Å; F12-F18 HydrophobicContact CG-CD2 4.09Å; F12-F18 AromaticContact CZ-CD2 3.12Å; F12-F18 HydrophobicContact CZ-CD2 3.12Å; F12-F18 AromaticContact CZ-CE2 3.32Å; F12-F18 HydrophobicContact CZ-CE2 3.32Å; F12-F18 HydrophobicContact CZ-CG 4.19Å; F12-E74 CarbonylContact C-O 3.59Å; F12-E74 WeakPolarHBondContact CA-O 3.35Å; F12-E74 HydrophobicContact CB-CB 4.24Å; F12-E74 VanDerWaalsContact CB-O 3.29Å; F12-E74 WeakPolarHBondContact CB-O 3.48Å; F12-E74 HydrophobicContact CD2-CB 4.15Å; F12-E74 HydrophobicContact CG-CB 4.47Å; F12-E74 PolarHBondContact N-O 3.38Å; F12-E74 PolarHBondContact O-N 2.78Å; F12-E74 VanDerWaalsContact O-O 3.05Å
13Y53.5Low58.8Low6 Ų642.6 Ų42.62%0.02421%0.213CC..  trans-148.8131-161.1-160.4-90.5000115.1T15 H16 C43 A44 L47 F65 V75 I92Y13-T15 PolarHBondContact O-N 3.04Å; Y13-H16 PolarHBondContact O-N 2.96Å; Y13-C43 HydrophobicContact CE1-CB 4.15Å; Y13-C43 WeakPolarHBondContact OH-CB 3.13Å; Y13-A44 HydrophobicContact CD2-CB 4.09Å; Y13-A44 HydrophobicContact CE2-CB 4.07Å; Y13-A44 HydrophobicContact CG-CB 4.34Å; Y13-L47 HydrophobicContact CE2-CD1 3.72Å; Y13-L47 WeakPolarHBondContact OH-CD1 3.41Å; Y13-F65 HydrophobicContact CE1-CB 4.21Å; Y13-F65 HydrophobicContact CE1-CD1 4.02Å; Y13-F65 HydrophobicContact CE2-CB 3.67Å; Y13-F65 HydrophobicContact CE2-CD1 4.46Å; Y13-F65 HydrophobicContact CE2-CG 4.26Å; Y13-F65 VanDerWaalsContact CZ-CB 3.49Å; Y13-F65 AromaticContact CZ-CD1 3.51Å; Y13-F65 AromaticContact CZ-CG 3.73Å; Y13-F65 WeakPolarHBondContact OH-CB 3.41Å; Y13-F65 WeakPolarHBondContact OH-CD1 3.25Å; Y13-F65 VanDerWaalsContact OH-CE1 3.24Å; Y13-F65 WeakPolarHBondContact OH-CE1 3.33Å; Y13-F65 WeakPolarHBondContact OH-CG 3.47Å; Y13-V75 HydrophobicContact CD2-CG2 3.67Å; Y13-V75 HydrophobicContact CE2-CG2 4.12Å; Y13-I92 HydrophobicContact CE2-CD1 4.45Å
14R55.9Low61.1Low105 Ų10542.5 Ų42.540%0.39621%0.209SC..THydrogen-bonded Turntrans34.1-60.5171.4-160.3-177.8-178.8-174.56.7118.4E64 F65 K67R14-E64 VanDerWaalsContact CD-O 3.24Å; R14-E64 WeakPolarHBondContact CD-O 3.27Å; R14-E64 PolarHBondContact NE-O 3.45Å; R14-F65 WeakPolarHBondContact CB-O 3.49Å; R14-F65 PolarHBondContact N-O 3.48Å; R14-K67 WeakPolarHBondContact O-CB 3.48Å; R14-K67 WeakPolarHBondContact O-CG 3.32Å
15T54.8Low62.7Low34 Ų3440.4 Ų40.421%0.20920%0.201CC..THydrogen-bonded Turntrans-93.5-23.1-174.443.60000113.2Y13 S40 N393Y13-T15 PolarHBondContact O-N 3.04Å; T15-S40 PolarHBondContact OG1-OG 3.08Å; T15-N393 PolarHBondContact O-ND2 2.66Å
16H59.3Low64.6Low21 Ų2142.2 Ų42.210%0.09721%0.206CC..  trans-128.5150.5-172.9-54100.1000111.2Y13 V19 S36 M391Y13-H16 PolarHBondContact O-N 2.96Å; H16-V19 HydrophobicContact CB-CG2 3.29Å; H16-V19 WeakPolarHBondContact ND1-CG2 3.4Å; H16-S36 PolarHBondContact CE1-O 3.46Å; H16-S36 PolarHBondContact NE2-O 2.79Å; H16-S36 VanDerWaalsContact NE2-O 3.14Å; H16-M391 WeakPolarHBondContact CE1-CE 3.45Å
17D66.7Low66.3Low112 Ų11241.1 Ų41.160%0.59920%0.2SC*.SBendtrans-69.8-43.6170.2-69.6-51.8000110.8F12 K67F12-D17 VanDerWaalsContact CD1-O 3.25Å; F12-D17 WeakPolarHBondContact CD1-O 3.48Å; D17-K67 IonicContact OD1-NZ 2.76Å; D17-K67 PolarHBondContact OD1-NZ 3.21Å; D17-K67 IonicContact OD2-NZ 2.82Å; D17-K67 PolarHBondContact OD2-NZ 3.06Å
18F70.7Confident67.8Low102 Ų10241.1 Ų41.145%0.44720%0.2SC..  trans-153.3136.5174.1176.6-112.7000109.4L11 F12 E20L11-F18 CarbonylContact O-C 3.56Å; F12-F18 HydrophobicContact CD1-CB 4.1Å; F12-F18 AromaticContact CD1-CD2 3.68Å; F12-F18 HydrophobicContact CD1-CD2 3.68Å; F12-F18 HydrophobicContact CD1-CG 4.36Å; F12-F18 HydrophobicContact CD2-CD2 4.04Å; F12-F18 HydrophobicContact CD2-CE2 4.37Å; F12-F18 HydrophobicContact CE1-CB 3.97Å; F12-F18 AromaticContact CE1-CD2 3.17Å; F12-F18 HydrophobicContact CE1-CD2 3.17Å; F12-F18 AromaticContact CE1-CE2 3.9Å; F12-F18 HydrophobicContact CE1-CE2 3.9Å; F12-F18 AromaticContact CE1-CG 3.9Å; F12-F18 HydrophobicContact CE1-CG 3.9Å; F12-F18 AromaticContact CE2-CD2 3.58Å; F12-F18 HydrophobicContact CE2-CD2 3.58Å; F12-F18 AromaticContact CE2-CE2 3.6Å; F12-F18 HydrophobicContact CE2-CE2 3.6Å; F12-F18 HydrophobicContact CG-CD2 4.09Å; F12-F18 AromaticContact CZ-CD2 3.12Å; F12-F18 HydrophobicContact CZ-CD2 3.12Å; F12-F18 AromaticContact CZ-CE2 3.32Å; F12-F18 HydrophobicContact CZ-CE2 3.32Å; F12-F18 HydrophobicContact CZ-CG 4.19Å; F18-E20 HydrophobicContact CE1-CB 4.03Å; F18-E20 HydrophobicContact CZ-CB 3.81Å
19V72.9Confident69.4Low2 Ų240.6 Ų40.61%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-138.7130.7169.8-179.30000107.6L11 H16 V21 L41 M391 A422L11-V19 CarbonylContact C-O 3.57Å; L11-V19 WeakPolarHBondContact CA-O 3.33Å; L11-V19 HydrophobicContact CB-CB 4.39Å; L11-V19 WeakPolarHBondContact CB-O 3.34Å; L11-V19 PolarHBondContact N-O 2.99Å; L11-V19 PolarHBondContact O-N 3.34Å; L11-V19 VanDerWaalsContact O-O 3.05Å; H16-V19 HydrophobicContact CB-CG2 3.29Å; H16-V19 WeakPolarHBondContact ND1-CG2 3.4Å; V19-V21 HydrophobicContact CG1-CG2 3.86Å; V19-L41 HydrophobicContact CG1-CD2 4.1Å; V19-M391 HydrophobicContact CG1-CE 4.47Å; V19-A422 HydrophobicContact CG1-CB 4.06Å
20E74.9Confident71.1Confident64 Ų6440.5 Ų40.530%0.29920%0.196SC..EExtended strand (participates in β ladder)trans-116.7128.6170.9178163.5-150.900108.5K10 F18 M22K10-E20 VanDerWaalsContact CD-OE1 3.27Å; K10-E20 WeakPolarHBondContact CD-OE1 3.35Å; K10-E20 WeakPolarHBondContact CE-OE1 3.47Å; K10-E20 HydrophobicContact CG-CG 4.09Å; K10-E20 IonicContact NZ-OE1 3.48Å; K10-E20 PolarHBondContact NZ-OE1 3.44Å; F18-E20 HydrophobicContact CE1-CB 4.03Å; F18-E20 HydrophobicContact CZ-CB 3.81Å; E20-M22 HydrophobicContact CG-CG 4.35Å
21V77.6Confident72.8Confident4 Ų438.5 Ų38.52%0.02419%0.187CC..  trans-121.7131.8176.4-176.70000107.3P9 V19 P23 L41 W389P9-V21 WeakPolarHBondContact CD-O 3.38Å; P9-V21 HydrophobicContact CG-CB 4.18Å; P9-V21 PolarHBondContact O-N 3.34Å; P9-V21 VanDerWaalsContact O-O 3.08Å; V19-V21 HydrophobicContact CG1-CG2 3.86Å; V21-P23 VanDerWaalsContact C-CD 3.48Å; V21-P23 HydrophobicContact CG1-CG 3.88Å; V21-P23 WeakPolarHBondContact O-CD 3.36Å; V21-L41 HydrophobicContact CG2-CD1 3.85Å; V21-L41 HydrophobicContact CG2-CD2 4.28Å; V21-W389 HydrophobicContact CB-CE3 4.36Å; V21-W389 HydrophobicContact CB-CZ3 4.33Å; V21-W389 HydrophobicContact CG1-CD2 3.53Å; V21-W389 HydrophobicContact CG1-CE3 3.81Å; V21-W389 HydrophobicContact CG1-CG 3.99Å; V21-W389 HydrophobicContact CG1-CH2 4.19Å; V21-W389 HydrophobicContact CG1-CZ2 3.97Å; V21-W389 HydrophobicContact CG1-CZ3 4.12Å; V21-W389 HydrophobicContact CG2-CE3 4.32Å
22M81.3Confident74.2Confident88 Ų8838.8 Ų38.843%0.43319%0.191SC..  trans-120.972.2179-65.3-173.3-66.700110.8T8 E20 K387 W389T8-M22 HydrophobicContact CG2-CB 4.27Å; T8-M22 HydrophobicContact CG2-CG 4.42Å; E20-M22 HydrophobicContact CG-CG 4.35Å; M22-K387 PolarHBondContact O-NZ 3.39Å; M22-W389 HydrophobicContact CB-CH2 4.1Å; M22-W389 HydrophobicContact CB-CZ2 4.07Å; M22-W389 WeakPolarHBondContact O-CZ2 3.47Å
23P81.7Confident75.8Confident3 Ų338.1 Ų38.12%0.01920%0.195CC..  trans-59.1143.3-178.5-16.730.4000111.2V6 V7 V21 N28 Q368 I370V6-P23 WeakPolarHBondContact CG1-O 3.47Å; V7-P23 WeakPolarHBondContact O-CD 3.28Å; V7-P23 VanDerWaalsContact O-CG 3.3Å; V7-P23 WeakPolarHBondContact O-CG 3.46Å; V21-P23 VanDerWaalsContact C-CD 3.48Å; V21-P23 HydrophobicContact CG1-CG 3.88Å; V21-P23 WeakPolarHBondContact O-CD 3.36Å; P23-N28 VanDerWaalsContact C-OD1 3.32Å; P23-N28 WeakPolarHBondContact CA-OD1 3.41Å; P23-N28 HydrophobicContact CB-CB 4.06Å; P23-N28 VanDerWaalsContact CB-OD1 3.28Å; P23-N28 WeakPolarHBondContact CB-OD1 3.37Å; P23-Q368 PolarHBondContact O-NE2 2.77Å; P23-I370 HydrophobicContact CB-CD1 4.42Å; P23-I370 HydrophobicContact CG-CD1 4.11Å
24D80.5Confident77.1Confident65 Ų6543.6 Ų43.635%0.34823%0.225SC..  trans-79.4164.8174.6-81.42.9000111.6H26 N28 Q368 K387D24-H26 PolarHBondContact O-N 3.15Å; D24-N28 PolarHBondContact N-OD1 3.37Å; D24-N28 PolarHBondContact O-ND2 3.32Å; D24-Q368 WeakPolarHBondContact O-CG 3.31Å; D24-Q368 PolarHBondContact O-NE2 2.88Å; D24-K387 HydrophobicContact CB-CB 4.11Å; D24-K387 HydrophobicContact CB-CD 4.15Å; D24-K387 VanDerWaalsContact CG-CD 3.46Å; D24-K387 WeakPolarHBondContact OD1-CD 3.43Å; D24-K387 IonicContact OD1-NZ 2.74Å
25P77.9Confident78.2Confident54 Ų5441.7 Ų41.735%0.35124%0.238SC..SBendtrans-60.2-19.8-174.4-23.331.8000116.3V6 Q368V6-P25 HydrophobicContact CG2-CB 4.09Å; V6-P25 HydrophobicContact CG2-CG 3.72Å; P25-Q368 VanDerWaalsContact O-CA 3.25Å; P25-Q368 WeakPolarHBondContact O-CA 3.5Å
26H81.7Confident79.3Confident47 Ų4740.2 Ų40.222%0.21823%0.229CC..SBendtrans-105.1-119.9-170.4-57.9-85.5000111.6D24 N28 L355 Y369 E385D24-H26 PolarHBondContact O-N 3.15Å; H26-N28 PolarHBondContact O-ND2 3.38Å; H26-L355 PolarHBondContact ND1-O 2.82Å; H26-Y369 PolarHBondContact O-N 3.35Å; H26-E385 HydrophobicContact CB-CB 4.11Å; H26-E385 WeakPolarHBondContact CB-O 3.32Å; H26-E385 IonicContact CD2-OE2 2.87Å; H26-E385 IonicContact CE1-OE2 3.24Å; H26-E385 PolarHBondContact CE1-OE2 3.25Å; H26-E385 IonicContact CG-OE2 3.65Å; H26-E385 IonicContact ND1-OE2 3.12Å; H26-E385 PolarHBondContact ND1-OE2 2.93Å; H26-E385 VanDerWaalsContact ND1-OE2 3.11Å; H26-E385 IonicContact NE2-OE2 2.75Å
27L85.3Confident80.3Confident0 Ų039.6 Ų39.60%023%0.228CC..EExtended strand (participates in β ladder)trans-91129.1-179.3179.857.9000110.6L29 M351 V352 L355 T386 K387L27-L29 HydrophobicContact CD1-CD2 3.71Å; L27-L29 HydrophobicContact CD2-CD2 4.16Å; L27-L29 HydrophobicContact CD2-CG 4.47Å; L27-L29 HydrophobicContact CG-CD2 3.9Å; L27-L29 HydrophobicContact CG-CG 4.21Å; L27-M351 HydrophobicContact CD1-CG 4.23Å; L27-M351 HydrophobicContact CD1-SD 3.77Å; L27-M351 HydrophobicContact CD2-CG 4.01Å; L27-M351 HydrophobicContact CD2-SD 4.15Å; L27-V352 HydrophobicContact CD2-CG2 4.05Å; L27-L355 HydrophobicContact CB-CB 4.13Å; L27-L355 HydrophobicContact CB-CD1 4.1Å; L27-L355 HydrophobicContact CD1-CD1 3.82Å; L27-L355 HydrophobicContact CD2-CD1 4.45Å; L27-L355 HydrophobicContact CG-CD1 4.34Å; L27-T386 HydrophobicContact CB-CG2 4.28Å; L27-T386 HydrophobicContact CD2-CG2 3.98Å; L27-T386 HydrophobicContact CG-CG2 3.95Å; L27-T386 CarbonylContact O-C 3.6Å; L27-T386 WeakPolarHBondContact O-CA 3.31Å; L27-K387 PolarHBondContact O-N 3.05Å
28N88.1Confident81.1Confident0 Ų034.5 Ų34.50%020%0.201CC..EExtended strand (participates in β ladder)trans-124.8120.6176.6-61.2-89.1000109.3P23 D24 H26 Y369 I370 M371 K387P23-N28 VanDerWaalsContact C-OD1 3.32Å; P23-N28 WeakPolarHBondContact CA-OD1 3.41Å; P23-N28 HydrophobicContact CB-CB 4.06Å; P23-N28 VanDerWaalsContact CB-OD1 3.28Å; P23-N28 WeakPolarHBondContact CB-OD1 3.37Å; D24-N28 PolarHBondContact N-OD1 3.37Å; D24-N28 PolarHBondContact O-ND2 3.32Å; H26-N28 PolarHBondContact O-ND2 3.38Å; N28-Y369 WeakPolarHBondContact CB-O 3.22Å; N28-Y369 PolarHBondContact N-O 3.43Å; N28-Y369 PolarHBondContact ND2-O 3.05Å; N28-I370 HydrophobicContact CB-CG1 4.4Å; N28-I370 WeakPolarHBondContact O-CA 3.21Å; N28-M371 PolarHBondContact O-N 3.47Å; N28-K387 CarbonylContact C-O 3.44Å; N28-K387 VanDerWaalsContact CA-O 3.31Å; N28-K387 WeakPolarHBondContact CA-O 3.37Å
29L88.1Confident81.5Confident1 Ų131 Ų311%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-108.9109.6-179.9-53.4179.3000109.6L27 I31 F348 M371 F382 T386 K387 L388 W389L27-L29 HydrophobicContact CD1-CD2 3.71Å; L27-L29 HydrophobicContact CD2-CD2 4.16Å; L27-L29 HydrophobicContact CD2-CG 4.47Å; L27-L29 HydrophobicContact CG-CD2 3.9Å; L27-L29 HydrophobicContact CG-CG 4.21Å; L29-I31 HydrophobicContact CB-CG2 4.39Å; L29-F348 HydrophobicContact CD1-CE2 3.51Å; L29-F348 HydrophobicContact CD1-CZ 3.46Å; L29-F348 VanDerWaalsContact CD1-CZ 3.46Å; L29-F348 HydrophobicContact CD2-CE2 4.2Å; L29-M371 CarbonylContact C-O 3.55Å; L29-M371 WeakPolarHBondContact CA-O 3.09Å; L29-M371 HydrophobicContact CD2-CB 3.72Å; L29-M371 HydrophobicContact CD2-CG 4.26Å; L29-M371 HydrophobicContact CD2-SD 4Å; L29-F382 HydrophobicContact CD1-CD1 3.71Å; L29-F382 HydrophobicContact CD1-CE1 3.75Å; L29-T386 HydrophobicContact CD1-CG2 3.83Å; L29-T386 HydrophobicContact CG-CG2 3.94Å; L29-K387 PolarHBondContact N-O 2.86Å; L29-L388 HydrophobicContact CB-CD2 3.67Å; L29-L388 HydrophobicContact CD1-CD2 3.63Å; L29-L388 HydrophobicContact CG-CD2 4.04Å; L29-W389 PolarHBondContact O-N 2.89Å
30V88.5Confident82Confident1 Ų131.4 Ų31.41%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-89.7111.5172.6-1740000109K38 L41 I370 M371 F372 T373 W389 M391V30-K38 HydrophobicContact CG1-CB 4.4Å; V30-K38 HydrophobicContact CG1-CG 4.13Å; V30-L41 HydrophobicContact CG1-CD1 3.82Å; V30-L41 HydrophobicContact CG2-CD1 4.34Å; V30-I370 HydrophobicContact CG2-CG2 4.04Å; V30-M371 PolarHBondContact N-O 3.38Å; V30-F372 HydrophobicContact CB-CD1 3.5Å; V30-F372 HydrophobicContact CB-CE1 3.87Å; V30-F372 HydrophobicContact CB-CG 4.35Å; V30-F372 HydrophobicContact CG1-CD1 3.78Å; V30-F372 HydrophobicContact CG1-CE1 4.1Å; V30-F372 HydrophobicContact CG2-CD1 3.87Å; V30-F372 HydrophobicContact CG2-CE1 3.69Å; V30-F372 WeakPolarHBondContact O-CA 3.42Å; V30-T373 PolarHBondContact O-N 3.49Å; V30-W389 CarbonylContact C-O 3.57Å; V30-W389 WeakPolarHBondContact CA-O 3.28Å; V30-W389 HydrophobicContact CB-CB 4.37Å; V30-W389 HydrophobicContact CG1-CB 4.41Å; V30-W389 HydrophobicContact CG2-CB 4.07Å; V30-M391 HydrophobicContact CG1-CG 3.66Å; V30-M391 HydrophobicContact CG1-SD 3.47Å; V30-M391 WeakPolarHBondContact CG1-SD 3.36Å
31I86.9Confident82.3Confident11 Ų1128.7 Ų28.76%0.05618%0.179CC..EExtended strand (participates in β ladder)trans-114.2158.2-174.967175.3000112.3L29 T373 L376 W389 C390 M391 M419L29-I31 HydrophobicContact CB-CG2 4.39Å; I31-T373 VanDerWaalsContact CA-O 3.3Å; I31-T373 WeakPolarHBondContact CA-O 3.26Å; I31-T373 HydrophobicContact CG2-CG2 3.84Å; I31-L376 HydrophobicContact CD1-CD1 3.49Å; I31-L376 VanDerWaalsContact CD1-CD1 3.49Å; I31-L376 HydrophobicContact CD1-CD2 3.99Å; I31-L376 HydrophobicContact CD1-CG 3.64Å; I31-L376 HydrophobicContact CG2-CD2 3.67Å; I31-L376 HydrophobicContact CG2-CG 4.07Å; I31-W389 WeakPolarHBondContact CG1-O 3.42Å; I31-W389 PolarHBondContact N-O 3.29Å; I31-C390 HydrophobicContact CD1-CB 4.36Å; I31-C390 HydrophobicContact CG1-CB 4.11Å; I31-M391 PolarHBondContact O-N 3.1Å; I31-M419 HydrophobicContact CD1-CE 4.45Å
32G82.7Confident82.7Confident8 Ų828.6 Ų28.68%0.08218%0.179CC..  trans152.1158.1177.200000112.7K38 P374 M391G32-K38 WeakPolarHBondContact O-CD 3.46Å; G32-K38 WeakPolarHBondContact O-CE 3.49Å; G32-K38 PolarHBondContact O-NZ 2.94Å; G32-P374 CarbonylContact O-C 3.58Å; G32-P374 WeakPolarHBondContact O-CA 3.43Å; G32-M391 WeakPolarHBondContact CA-O 3.09Å
33P82.1Confident82.8Confident73 Ų7324.8 Ų24.847%0.47416%0.161SC..  trans-64163.8-176.427.2-34.7000112.9G35 S36 K38P33-G35 PolarHBondContact O-N 3.17Å; P33-S36 VanDerWaalsContact O-CB 3.26Å; P33-S36 WeakPolarHBondContact O-CB 3.19Å; P33-S36 PolarHBondContact O-N 3.23Å; P33-S36 PolarHBondContact O-OG 2.69Å; P33-K38 PolarHBondContact O-NZ 2.6Å
34N81.9Confident82.8Confident120 Ų12024.6 Ų24.664%0.64216%0.16SC*.THydrogen-bonded Turntrans-57.6134173.8-69.6-8.3000110.1P374N34-P374 WeakPolarHBondContact OD1-CB 3.36Å
35G78.1Confident82.9Confident66 Ų6621.6 Ų21.668%0.6814%0.144SC*.THydrogen-bonded Turntrans87.5-6.4-174.500000115.4P33 G37P33-G35 PolarHBondContact O-N 3.17Å; G35-G37 PolarHBondContact O-N 3.02Å
36S79.4Confident83.3Confident2 Ų219.1 Ų19.11%0.01413%0.127CC..SBendtrans-68.8-10.5177.770.20000114.9H16 P33 K38 M391H16-S36 PolarHBondContact CE1-O 3.46Å; H16-S36 PolarHBondContact NE2-O 2.79Å; H16-S36 VanDerWaalsContact NE2-O 3.14Å; P33-S36 VanDerWaalsContact O-CB 3.26Å; P33-S36 WeakPolarHBondContact O-CB 3.19Å; P33-S36 PolarHBondContact O-N 3.23Å; P33-S36 PolarHBondContact O-OG 2.69Å; S36-K38 WeakPolarHBondContact OG-CG 3.26Å; S36-K38 PolarHBondContact OG-NZ 2.97Å; S36-M391 WeakPolarHBondContact CB-O 3.4Å; S36-M391 PolarHBondContact OG-O 3.22Å
37G79Confident83.3Confident8 Ų816.9 Ų16.98%0.08212%0.117CC..SBendtrans93.513.8178.200000116G35 S39 S40 L41G35-G37 PolarHBondContact O-N 3.02Å; G37-S39 PolarHBondContact O-N 3.43Å; G37-S40 WeakPolarHBondContact O-CA 3.3Å; G37-S40 WeakPolarHBondContact O-CB 3.32Å; G37-S40 PolarHBondContact O-N 3.5Å; G37-S40 PolarHBondContact O-OG 3.16Å; G37-L41 PolarHBondContact O-N 3.41Å
38K83.5Confident83.1Confident6 Ų617 Ų173%0.02612%0.117CC..Hα-helixtrans-50.2-55.3171.6-59176.5-58-62.60113.3V30 G32 P33 S36 S40 L41 M42 F372 T373 M391V30-K38 HydrophobicContact CG1-CB 4.4Å; V30-K38 HydrophobicContact CG1-CG 4.13Å; G32-K38 WeakPolarHBondContact O-CD 3.46Å; G32-K38 WeakPolarHBondContact O-CE 3.49Å; G32-K38 PolarHBondContact O-NZ 2.94Å; P33-K38 PolarHBondContact O-NZ 2.6Å; S36-K38 WeakPolarHBondContact OG-CG 3.26Å; S36-K38 PolarHBondContact OG-NZ 2.97Å; K38-S40 PolarHBondContact O-N 2.86Å; K38-S40 VanDerWaalsContact O-N 3.14Å; K38-L41 WeakPolarHBondContact O-CB 3.3Å; K38-L41 PolarHBondContact O-N 3.31Å; K38-M42 PolarHBondContact O-N 3.41Å; K38-F372 HydrophobicContact CB-CB 4.38Å; K38-F372 HydrophobicContact CB-CD1 4.11Å; K38-F372 WeakPolarHBondContact O-CD1 3.49Å; K38-T373 WeakPolarHBondContact CD-O 3.41Å; K38-M391 WeakPolarHBondContact CA-SD 3.5Å; K38-M391 HydrophobicContact CB-SD 4.23Å; K38-M391 HydrophobicContact CG-CB 4.33Å; K38-M391 HydrophobicContact CG-SD 3.93Å
39S80.6Confident82.7Confident27 Ų2717.4 Ų17.419%0.18912%0.119CC..Hα-helixtrans-64.6-19.3177.6-48.30000112.7G37 L41 M42 C43 D333G37-S39 PolarHBondContact O-N 3.43Å; S39-L41 VanDerWaalsContact C-N 3.35Å; S39-M42 PolarHBondContact O-N 3.16Å; S39-C43 WeakPolarHBondContact O-CB 3.42Å; S39-C43 PolarHBondContact O-N 2.86Å; S39-C43 PolarHBondContact O-SG 3.49Å; S39-D333 WeakPolarHBondContact CB-OD2 3.27Å; S39-D333 PolarHBondContact OG-OD2 3.2Å
40S81.4Confident82.3Confident12 Ų1218.4 Ų18.48%0.08413%0.128CC..Hα-helixtrans-64.5-39.8171.7-58.40000111.4T15 G37 K38 M42 C43 A44T15-S40 PolarHBondContact OG1-OG 3.08Å; G37-S40 WeakPolarHBondContact O-CA 3.3Å; G37-S40 WeakPolarHBondContact O-CB 3.32Å; G37-S40 PolarHBondContact O-N 3.5Å; G37-S40 PolarHBondContact O-OG 3.16Å; K38-S40 PolarHBondContact O-N 2.86Å; K38-S40 VanDerWaalsContact O-N 3.14Å; S40-M42 VanDerWaalsContact C-N 3.35Å; S40-C43 PolarHBondContact O-N 3.45Å; S40-A44 WeakPolarHBondContact O-CB 3.32Å; S40-A44 PolarHBondContact O-N 2.84Å
41L82.7Confident82Confident6 Ų618.3 Ų18.33%0.03113%0.127CC..Hα-helixtrans-62.1-45.1174.7-51.1-175.2000110.6L11 V19 V21 V30 G37 K38 S39 A44 L45 F372 M391L11-L41 HydrophobicContact CD1-CB 3.94Å; L11-L41 HydrophobicContact CD1-CD2 3.2Å; L11-L41 HydrophobicContact CD1-CG 4.08Å; L11-L41 HydrophobicContact CG-CD2 4.4Å; V19-L41 HydrophobicContact CG1-CD2 4.1Å; V21-L41 HydrophobicContact CG2-CD1 3.85Å; V21-L41 HydrophobicContact CG2-CD2 4.28Å; V30-L41 HydrophobicContact CG1-CD1 3.82Å; V30-L41 HydrophobicContact CG2-CD1 4.34Å; G37-L41 PolarHBondContact O-N 3.41Å; K38-L41 WeakPolarHBondContact O-CB 3.3Å; K38-L41 PolarHBondContact O-N 3.31Å; S39-L41 VanDerWaalsContact C-N 3.35Å; L41-A44 PolarHBondContact O-N 2.88Å; L41-L45 PolarHBondContact O-N 3.48Å; L41-F372 HydrophobicContact CB-CE1 3.74Å; L41-F372 HydrophobicContact CB-CZ 4.22Å; L41-F372 HydrophobicContact CD1-CE1 3.98Å; L41-F372 HydrophobicContact CG-CE1 4.35Å; L41-M391 HydrophobicContact CD1-CE 3.95Å; L41-M391 HydrophobicContact CD1-CG 4.49Å; L41-M391 HydrophobicContact CD1-SD 3.34Å; L41-M391 WeakPolarHBondContact CD1-SD 3.45Å; L41-M391 HydrophobicContact CD2-CE 3.65Å; L41-M391 HydrophobicContact CD2-SD 4.16Å; L41-M391 HydrophobicContact CG-CE 3.78Å; L41-M391 HydrophobicContact CG-SD 3.66Å
42M85.4Confident81.8Confident2 Ų219.9 Ų19.91%0.0114%0.139CC..Hα-helixtrans-58.8-49.6175.3-174.7-172.1-157.200111.4K38 S39 S40 A44 L45 C46 F120 L121 A122 C331 D333 F372K38-M42 PolarHBondContact O-N 3.41Å; S39-M42 PolarHBondContact O-N 3.16Å; S40-M42 VanDerWaalsContact C-N 3.35Å; M42-A44 PolarHBondContact O-N 3.31Å; M42-L45 PolarHBondContact O-N 3.47Å; M42-C46 PolarHBondContact O-N 3.42Å; M42-F120 HydrophobicContact CE-CD1 3.55Å; M42-F120 HydrophobicContact CE-CD2 4.44Å; M42-F120 HydrophobicContact CE-CE1 3.18Å; M42-F120 HydrophobicContact CE-CE2 4.16Å; M42-F120 HydrophobicContact CE-CG 4.17Å; M42-F120 HydrophobicContact CE-CZ 3.53Å; M42-F120 HydrophobicContact CG-CE1 3.79Å; M42-F120 HydrophobicContact CG-CE2 4.15Å; M42-F120 HydrophobicContact CG-CZ 3.33Å; M42-F120 WeakPolarHBondContact O-CZ 3.41Å; M42-F120 HydrophobicContact SD-CE1 4.05Å; M42-F120 HydrophobicContact SD-CZ 4.17Å; M42-L121 WeakPolarHBondContact CE-O 3.37Å; M42-A122 HydrophobicContact CE-CB 3.79Å; M42-A122 VanDerWaalsContact CE-N 3.26Å; M42-A122 HydrophobicContact SD-CB 3.83Å; M42-C331 HydrophobicContact CE-CB 4.26Å; M42-D333 HydrophobicContact CE-CB 4.09Å; M42-D333 HydrophobicContact SD-CB 3.31Å; M42-D333 WeakPolarHBondContact SD-CB 3.36Å; M42-F372 HydrophobicContact CB-CD2 4.22Å; M42-F372 HydrophobicContact CB-CE2 3.79Å; M42-F372 HydrophobicContact CB-CZ 4.02Å; M42-F372 HydrophobicContact CG-CE2 4.2Å
43C83.6Confident81.7Confident8 Ų820.8 Ų20.85%0.05414%0.142CC..Hα-helixtrans-56-41.6179.1-69.10000111.2Y13 S39 S40 C46 L47 L56 F65Y13-C43 HydrophobicContact CE1-CB 4.15Å; Y13-C43 WeakPolarHBondContact OH-CB 3.13Å; S39-C43 WeakPolarHBondContact O-CB 3.42Å; S39-C43 PolarHBondContact O-N 2.86Å; S39-C43 PolarHBondContact O-SG 3.49Å; S40-C43 PolarHBondContact O-N 3.45Å; C43-C46 WeakPolarHBondContact O-CB 3.48Å; C43-C46 PolarHBondContact O-N 3.24Å; C43-L47 WeakPolarHBondContact O-CB 3.39Å; C43-L47 WeakPolarHBondContact O-CG 3.4Å; C43-L47 PolarHBondContact O-N 2.78Å; C43-L56 HydrophobicContact CB-CD1 4.01Å; C43-L56 HydrophobicContact CB-CD2 4.34Å; C43-F65 HydrophobicContact CB-CD1 4.38Å; C43-F65 HydrophobicContact CB-CE1 3.94Å
44A81.7Confident81.7Confident0 Ų025.9 Ų25.90%016%0.157CC..Hα-helixtrans-67.6-41.1-179.900000113.1L11 Y13 S40 L41 M42 C46 L47 V48 V75L11-A44 HydrophobicContact CD2-CB 2.99Å; L11-A44 HydrophobicContact CG-CB 4.4Å; Y13-A44 HydrophobicContact CD2-CB 4.09Å; Y13-A44 HydrophobicContact CE2-CB 4.07Å; Y13-A44 HydrophobicContact CG-CB 4.34Å; S40-A44 WeakPolarHBondContact O-CB 3.32Å; S40-A44 PolarHBondContact O-N 2.84Å; L41-A44 PolarHBondContact O-N 2.88Å; M42-A44 PolarHBondContact O-N 3.31Å; A44-C46 VanDerWaalsContact C-N 3.35Å; A44-C46 PolarHBondContact O-N 2.88Å; A44-L47 PolarHBondContact O-N 3.18Å; A44-V48 VanDerWaalsContact O-CG2 3.27Å; A44-V48 WeakPolarHBondContact O-CG2 3.03Å; A44-V48 PolarHBondContact O-N 3.24Å; A44-V75 HydrophobicContact CB-CB 4.49Å; A44-V75 HydrophobicContact CB-CG1 3.84Å; A44-V75 HydrophobicContact CB-CG2 3.82Å
45L83.5Confident81.6Confident2 Ų220.6 Ų20.61%0.0113%0.13CC..Hα-helixtrans-57.9-45.7171.1-72.7173000111.8V7 P9 L41 M42 L47 V48 F49 V77 F120 C331 I370V7-L45 HydrophobicContact CG1-CD2 4.1Å; P9-L45 HydrophobicContact CB-CD2 3.95Å; P9-L45 HydrophobicContact CG-CD2 4.26Å; L41-L45 PolarHBondContact O-N 3.48Å; M42-L45 PolarHBondContact O-N 3.47Å; L45-L47 VanDerWaalsContact C-N 3.31Å; L45-L47 PolarHBondContact O-N 3.01Å; L45-V48 PolarHBondContact O-N 2.85Å; L45-F49 HydrophobicContact CD2-CE2 4.28Å; L45-F49 WeakPolarHBondContact O-CD2 3.45Å; L45-F49 PolarHBondContact O-N 3.23Å; L45-F49 VanDerWaalsContact O-N 3.15Å; L45-V77 HydrophobicContact CD2-CG2 4.01Å; L45-F120 HydrophobicContact CB-CE2 4.29Å; L45-C331 VanDerWaalsContact CD1-SG 3.52Å; L45-I370 HydrophobicContact CD1-CD1 4.24Å
46C85.1Confident81.7Confident1 Ų117.7 Ų17.71%0.00710%0.099CC..Hα-helixtrans-59.9-43175.9-178.40000111.9M42 C43 A44 G51 L56 F120M42-C46 PolarHBondContact O-N 3.42Å; C43-C46 WeakPolarHBondContact O-CB 3.48Å; C43-C46 PolarHBondContact O-N 3.24Å; A44-C46 VanDerWaalsContact C-N 3.35Å; A44-C46 PolarHBondContact O-N 2.88Å; C46-G51 WeakPolarHBondContact O-CA 3.48Å; C46-G51 PolarHBondContact O-N 3.2Å; C46-L56 HydrophobicContact CB-CD1 4.35Å; C46-L56 HydrophobicContact CB-CD2 3.58Å; C46-L56 HydrophobicContact CB-CG 4.14Å; C46-F120 HydrophobicContact CB-CE1 3.83Å; C46-F120 HydrophobicContact CB-CE2 4.39Å; C46-F120 HydrophobicContact CB-CZ 3.6Å
47L81.7Confident81.3Confident1 Ų119.4 Ų19.41%0.00512%0.117CC..Hα-helixtrans-66-41.7-179.4-72169000111.9Y13 C43 A44 L45 A50 L53 F62 F65 I92 R97Y13-L47 HydrophobicContact CE2-CD1 3.72Å; Y13-L47 WeakPolarHBondContact OH-CD1 3.41Å; C43-L47 WeakPolarHBondContact O-CB 3.39Å; C43-L47 WeakPolarHBondContact O-CG 3.4Å; C43-L47 PolarHBondContact O-N 2.78Å; A44-L47 PolarHBondContact O-N 3.18Å; L45-L47 VanDerWaalsContact C-N 3.31Å; L45-L47 PolarHBondContact O-N 3.01Å; L47-A50 PolarHBondContact O-N 3Å; L47-L53 HydrophobicContact CD2-CD2 3.86Å; L47-F62 HydrophobicContact CD2-CD1 3.73Å; L47-F62 HydrophobicContact CD2-CE1 3.46Å; L47-F62 VanDerWaalsContact CD2-CE1 3.46Å; L47-F65 HydrophobicContact CD1-CB 4.33Å; L47-F65 HydrophobicContact CD1-CD1 4.25Å; L47-F65 HydrophobicContact CD1-CD2 3.72Å; L47-F65 HydrophobicContact CD1-CE1 4.35Å; L47-F65 HydrophobicContact CD1-CE2 4Å; L47-F65 HydrophobicContact CD1-CG 3.85Å; L47-F65 HydrophobicContact CD1-CZ 4.25Å; L47-F65 HydrophobicContact CD2-CD2 4.38Å; L47-F65 HydrophobicContact CD2-CE2 4.07Å; L47-I92 HydrophobicContact CB-CD1 4.46Å; L47-I92 HydrophobicContact CD1-CD1 3.81Å; L47-R97 WeakPolarHBondContact O-CD 3.33Å; L47-R97 PolarHBondContact O-NH1 3.46Å
48V80.7Confident80.9Confident1 Ų124.6 Ų24.61%0.00613%0.134CC..Hα-helixtrans-60.4-51.2178.7166.90000110.8A44 L45 A50 V75 V77 I90 V103A44-V48 VanDerWaalsContact O-CG2 3.27Å; A44-V48 WeakPolarHBondContact O-CG2 3.03Å; A44-V48 PolarHBondContact O-N 3.24Å; L45-V48 PolarHBondContact O-N 2.85Å; V48-A50 PolarHBondContact O-N 2.92Å; V48-V75 HydrophobicContact CG2-CB 3.71Å; V48-V75 HydrophobicContact CG2-CG1 3.16Å; V48-V77 HydrophobicContact CB-CG2 4.08Å; V48-V77 HydrophobicContact CG1-CB 3.87Å; V48-V77 HydrophobicContact CG1-CG2 3.75Å; V48-V77 HydrophobicContact CG2-CG2 3.77Å; V48-I90 HydrophobicContact CB-CD1 4.06Å; V48-I90 HydrophobicContact CG1-CD1 3.92Å; V48-I90 HydrophobicContact CG2-CB 4.38Å; V48-I90 HydrophobicContact CG2-CD1 4.37Å; V48-I90 WeakPolarHBondContact O-CD1 3.17Å; V48-V103 WeakPolarHBondContact O-CG1 3.49Å
49F80.8Confident80.6Confident9 Ų925.2 Ų25.24%0.03914%0.137CC..THydrogen-bonded Turntrans-80.327.4-177.6-64-64.6000114.1L45 G51 V77 I79 F106 A107 I112 V114 F329L45-F49 HydrophobicContact CD2-CE2 4.28Å; L45-F49 WeakPolarHBondContact O-CD2 3.45Å; L45-F49 PolarHBondContact O-N 3.23Å; L45-F49 VanDerWaalsContact O-N 3.15Å; F49-G51 PolarHBondContact O-N 3.49Å; F49-V77 HydrophobicContact CE2-CG1 4.2Å; F49-V77 HydrophobicContact CZ-CG1 3.78Å; F49-I79 HydrophobicContact CE1-CD1 3.79Å; F49-I79 HydrophobicContact CZ-CD1 3.66Å; F49-I79 HydrophobicContact CZ-CG1 4.39Å; F49-F106 HydrophobicContact CE1-CE1 4.46Å; F49-A107 HydrophobicContact CD1-CB 4.32Å; F49-I112 HydrophobicContact CB-CG2 3.89Å; F49-I112 HydrophobicContact CD1-CD1 3.86Å; F49-I112 HydrophobicContact CD1-CG2 3.96Å; F49-I112 HydrophobicContact CD2-CG2 4.06Å; F49-I112 HydrophobicContact CE1-CD1 3.57Å; F49-I112 HydrophobicContact CG-CG2 3.69Å; F49-I112 HydrophobicContact CZ-CD1 4.05Å; F49-V114 HydrophobicContact CB-CG1 3.73Å; F49-V114 HydrophobicContact CB-CG2 4.01Å; F49-V114 HydrophobicContact CD2-CG1 4.22Å; F49-V114 HydrophobicContact CG-CG1 4.38Å; F49-F329 HydrophobicContact CD2-CE1 4.03Å; F49-F329 AromaticContact CD2-CZ 3.61Å; F49-F329 HydrophobicContact CD2-CZ 3.61Å; F49-F329 AromaticContact CE2-CE1 3.5Å; F49-F329 HydrophobicContact CE2-CE1 3.5Å; F49-F329 VanDerWaalsContact CE2-CE1 3.5Å; F49-F329 AromaticContact CE2-CZ 3.42Å; F49-F329 HydrophobicContact CE2-CZ 3.42Å; F49-F329 VanDerWaalsContact CE2-CZ 3.42Å; F49-F329 AromaticContact CZ-CE1 3.91Å; F49-F329 HydrophobicContact CZ-CE1 3.91Å; F49-F329 HydrophobicContact CZ-CZ 4.28Å
50A79.5Confident80.3Confident22 Ų2228.1 Ų28.118%0.18216%0.157CC..THydrogen-bonded Turntrans61.720.8175.700000116.1L47 V48 R97 I99 Q104L47-A50 PolarHBondContact O-N 3Å; V48-A50 PolarHBondContact O-N 2.92Å; A50-R97 PolarHBondContact O-NH2 3Å; A50-I99 HydrophobicContact CB-CD1 3.56Å; A50-I99 HydrophobicContact CB-CG2 4.23Å; A50-Q104 HydrophobicContact CB-CG 3.69Å
51G81.3Confident80.2Confident0 Ų033.5 Ų33.50%018%0.175CC..  trans-61156.5177.800000113.1C46 F49 R97C46-G51 WeakPolarHBondContact O-CA 3.48Å; C46-G51 PolarHBondContact O-N 3.2Å; F49-G51 PolarHBondContact O-N 3.49Å; G51-R97 PolarHBondContact O-NH1 3.28Å; G51-R97 PolarHBondContact O-NH2 3.36Å; G51-R97 VanDerWaalsContact O-NH2 3.07Å
52S82.9Confident79.9Confident43 Ų4335.6 Ų35.630%0.30118%0.184SC..  trans-80.9149.617571.20000110.9K54 A55 D115S52-K54 PolarHBondContact O-N 3.2Å; S52-K54 VanDerWaalsContact O-N 3.16Å; S52-A55 WeakPolarHBondContact O-CB 3.39Å; S52-A55 PolarHBondContact O-N 3.29Å; S52-A55 PolarHBondContact OG-N 2.85Å; S52-D115 VanDerWaalsContact CB-OD1 3.25Å; S52-D115 WeakPolarHBondContact CB-OD1 3.35Å; S52-D115 PolarHBondContact N-OD1 2.96Å; S52-D115 PolarHBondContact OG-OD1 3.47Å
53L82.1Confident79.4Confident28 Ų2837.7 Ų37.715%0.14720%0.195CC..G310 helixtrans-61.4-24.3173.2-58.9-173.3000112.2L47 A55 L56 S60 F62 F65L47-L53 HydrophobicContact CD2-CD2 3.86Å; L53-A55 PolarHBondContact O-N 3.26Å; L53-L56 HydrophobicContact CD2-CD1 4.49Å; L53-L56 PolarHBondContact O-N 3.3Å; L53-L56 VanDerWaalsContact O-N 3.11Å; L53-S60 WeakPolarHBondContact CD1-O 3.42Å; L53-F62 HydrophobicContact CD1-CD2 4.27Å; L53-F62 HydrophobicContact CD1-CE1 4.41Å; L53-F62 HydrophobicContact CD1-CE2 4.17Å; L53-F62 HydrophobicContact CD1-CG 4.43Å; L53-F62 HydrophobicContact CD1-CZ 4.24Å; L53-F62 HydrophobicContact CD2-CD1 4.09Å; L53-F62 HydrophobicContact CD2-CE1 3.74Å; L53-F62 HydrophobicContact CD2-CZ 4.15Å; L53-F62 HydrophobicContact CG-CE1 4.22Å; L53-F62 HydrophobicContact CG-CZ 4.12Å; L53-F65 HydrophobicContact CD2-CE2 3.47Å; L53-F65 VanDerWaalsContact CD2-CE2 3.47Å; L53-F65 HydrophobicContact CD2-CZ 3.8Å
54K81.5Confident79.1Confident179 Ų17940 Ų4078%0.77821%0.206SC*.G310 helixtrans-61.1-33.4173-64-174.6177.1-173.60112.6S52 L56 G57S52-K54 PolarHBondContact O-N 3.2Å; S52-K54 VanDerWaalsContact O-N 3.16Å; K54-L56 PolarHBondContact O-N 3.45Å; K54-G57 PolarHBondContact O-N 3Å
55A78.5Confident78.9Confident9 Ų940 Ų407%0.07421%0.206CC..G310 helixtrans-68.1-20.2177.700000112.8S52 L53 D115 N125S52-A55 WeakPolarHBondContact O-CB 3.39Å; S52-A55 PolarHBondContact O-N 3.29Å; S52-A55 PolarHBondContact OG-N 2.85Å; L53-A55 PolarHBondContact O-N 3.26Å; A55-D115 WeakPolarHBondContact CB-OD1 3.4Å; A55-N125 PolarHBondContact O-ND2 2.94Å
56L81.1Confident78.6Confident6 Ų641.1 Ų41.13%0.03121%0.211CC..G310 helixtrans-88.6-14.1177.8-63.9176.8000113.6C43 C46 L53 K54 R58 F65 F120C43-L56 HydrophobicContact CB-CD1 4.01Å; C43-L56 HydrophobicContact CB-CD2 4.34Å; C46-L56 HydrophobicContact CB-CD1 4.35Å; C46-L56 HydrophobicContact CB-CD2 3.58Å; C46-L56 HydrophobicContact CB-CG 4.14Å; L53-L56 HydrophobicContact CD2-CD1 4.49Å; L53-L56 PolarHBondContact O-N 3.3Å; L53-L56 VanDerWaalsContact O-N 3.11Å; K54-L56 PolarHBondContact O-N 3.45Å; L56-R58 PolarHBondContact O-N 2.93Å; L56-F65 HydrophobicContact CD1-CE1 3.99Å; L56-F65 HydrophobicContact CD1-CZ 3.63Å; L56-F120 HydrophobicContact CD2-CE1 4.12Å
57G70.5Confident78.2Confident38 Ų3843.8 Ų43.839%0.39222%0.223SC..SBendtrans71.9-28.8176.100000116.2K54K54-G57 PolarHBondContact O-N 3Å
58R71.9Confident77.9Confident116 Ų11655.5 Ų55.544%0.43827%0.267SS..SBendtrans-106.2-54.8-168.7-66.4177.8175.7177.2-6.6114.8L56 Q123 D124L56-R58 PolarHBondContact O-N 2.93Å; R58-Q123 VanDerWaalsContact NH2-CG 3.31Å; R58-D124 WeakPolarHBondContact CD-OD2 3.4Å; R58-D124 WeakPolarHBondContact CG-OD2 3.44Å; R58-D124 IonicContact CZ-OD1 3.6Å; R58-D124 IonicContact CZ-OD2 3.35Å; R58-D124 IonicContact NE-OD1 2.69Å; R58-D124 IonicContact NE-OD2 3.35Å; R58-D124 PolarHBondContact NE-OD2 3.26Å; R58-D124 IonicContact NH2-OD1 3.36Å; R58-D124 PolarHBondContact NH2-OD1 3.22Å; R58-D124 IonicContact NH2-OD2 2.86Å
59Q75.5Confident77.9Confident19 Ų1958.4 Ų58.49%0.08930%0.297CS..  trans-85.7140.3-173.4-63.791.5-20.300111.6E64 F65Q59-E64 VanDerWaalsContact CA-OE2 3.31Å; Q59-E64 WeakPolarHBondContact CA-OE2 3.24Å; Q59-E64 HydrophobicContact CB-CB 4.47Å; Q59-E64 VanDerWaalsContact CB-OE2 3.32Å; Q59-E64 WeakPolarHBondContact CB-OE2 3.14Å; Q59-E64 HydrophobicContact CG-CB 4.23Å; Q59-E64 WeakPolarHBondContact CG-OE2 3.17Å; Q59-F65 HydrophobicContact CB-CE1 3.77Å; Q59-F65 HydrophobicContact CB-CE2 4.16Å; Q59-F65 HydrophobicContact CB-CZ 3.45Å; Q59-F65 VanDerWaalsContact CB-CZ 3.45Å; Q59-F65 HydrophobicContact CG-CD1 4.16Å; Q59-F65 HydrophobicContact CG-CE1 3.5Å; Q59-F65 HydrophobicContact CG-CZ 3.77Å
60S76Confident77.8Confident88 Ų8862.6 Ų62.662%0.61532%0.316SS*.  trans-105.8-19.4-177.870.10000113.3L53 E64L53-S60 WeakPolarHBondContact CD1-O 3.42Å; S60-E64 PolarHBondContact N-OE1 3.14Å; S60-E64 PolarHBondContact OG-OE1 2.91Å
61R78.3Confident77.7Confident125 Ų12566.8 Ų66.847%0.47234%0.336SS..SBendtrans-135155.3-175.2-56.5159.352.4143.4-3.6112.1D63 E64 F65R61-D63 WeakPolarHBondContact CB-OD1 3.44Å; R61-D63 IonicContact CZ-OD1 2.92Å; R61-D63 IonicContact CZ-OD2 3.8Å; R61-D63 IonicContact NE-OD1 3.09Å; R61-D63 PolarHBondContact NE-OD1 3.27Å; R61-D63 IonicContact NE-OD2 2.88Å; R61-D63 PolarHBondContact NE-OD2 2.57Å; R61-D63 IonicContact NH2-OD1 2.63Å; R61-D63 PolarHBondContact NH2-OD1 2.91Å; R61-D63 IonicContact NH2-OD2 3.46Å; R61-D63 PolarHBondContact NH2-OD2 2.97Å; R61-E64 HydrophobicContact CB-CG 4.3Å; R61-E64 PolarHBondContact N-OE1 3.24Å; R61-F65 WeakPolarHBondContact O-CE2 3.44Å
62F77.2Confident77.6Confident51 Ų5171 Ų7122%0.22436%0.355CS..SBendtrans-74.4-26.9-177.8-71.2-76.8000113.8L47 L53 E64 F65 R97L47-F62 HydrophobicContact CD2-CD1 3.73Å; L47-F62 HydrophobicContact CD2-CE1 3.46Å; L47-F62 VanDerWaalsContact CD2-CE1 3.46Å; L53-F62 HydrophobicContact CD1-CD2 4.27Å; L53-F62 HydrophobicContact CD1-CE1 4.41Å; L53-F62 HydrophobicContact CD1-CE2 4.17Å; L53-F62 HydrophobicContact CD1-CG 4.43Å; L53-F62 HydrophobicContact CD1-CZ 4.24Å; L53-F62 HydrophobicContact CD2-CD1 4.09Å; L53-F62 HydrophobicContact CD2-CE1 3.74Å; L53-F62 HydrophobicContact CD2-CZ 4.15Å; L53-F62 HydrophobicContact CG-CE1 4.22Å; L53-F62 HydrophobicContact CG-CZ 4.12Å; F62-E64 PolarHBondContact O-N 3.27Å; F62-F65 HydrophobicContact CD1-CD2 4.43Å; F62-F65 HydrophobicContact CD1-CE2 4.4Å; F62-F65 WeakPolarHBondContact O-CB 3.37Å; F62-F65 WeakPolarHBondContact O-CD2 3.35Å; F62-F65 PolarHBondContact O-N 2.98Å; F62-R97 HydrophobicContact CD1-CB 4.07Å; F62-R97 HydrophobicContact CE1-CB 3.87Å; F62-R97 HydrophobicContact CE1-CG 4.39Å; F62-R97 HydrophobicContact CZ-CB 4.21Å
63D74.1Confident77.2Confident45 Ų4569.2 Ų69.224%0.24134%0.343CS..G310 helixtrans-68.3-24178.156.8-47.2000112.9R61 F65 I66 M95R61-D63 WeakPolarHBondContact CB-OD1 3.44Å; R61-D63 IonicContact CZ-OD1 2.92Å; R61-D63 IonicContact CZ-OD2 3.8Å; R61-D63 IonicContact NE-OD1 3.09Å; R61-D63 PolarHBondContact NE-OD1 3.27Å; R61-D63 IonicContact NE-OD2 2.88Å; R61-D63 PolarHBondContact NE-OD2 2.57Å; R61-D63 IonicContact NH2-OD1 2.63Å; R61-D63 PolarHBondContact NH2-OD1 2.91Å; R61-D63 IonicContact NH2-OD2 3.46Å; R61-D63 PolarHBondContact NH2-OD2 2.97Å; D63-F65 PolarHBondContact O-N 3.12Å; D63-I66 PolarHBondContact O-N 2.99Å; D63-I66 VanDerWaalsContact O-N 3.1Å; D63-M95 HydrophobicContact CB-CE 4.08Å; D63-M95 HydrophobicContact CB-CG 4.13Å; D63-M95 HydrophobicContact CB-SD 4.32Å
64E77.3Confident76.9Confident58 Ų5869.4 Ų69.427%0.27134%0.343SS..G310 helixtrans-62.9-12174.5-63.5174.8-144.500113.4R14 Q59 S60 R61 F62R14-E64 VanDerWaalsContact CD-O 3.24Å; R14-E64 WeakPolarHBondContact CD-O 3.27Å; R14-E64 PolarHBondContact NE-O 3.45Å; Q59-E64 VanDerWaalsContact CA-OE2 3.31Å; Q59-E64 WeakPolarHBondContact CA-OE2 3.24Å; Q59-E64 HydrophobicContact CB-CB 4.47Å; Q59-E64 VanDerWaalsContact CB-OE2 3.32Å; Q59-E64 WeakPolarHBondContact CB-OE2 3.14Å; Q59-E64 HydrophobicContact CG-CB 4.23Å; Q59-E64 WeakPolarHBondContact CG-OE2 3.17Å; S60-E64 PolarHBondContact N-OE1 3.14Å; S60-E64 PolarHBondContact OG-OE1 2.91Å; R61-E64 HydrophobicContact CB-CG 4.3Å; R61-E64 PolarHBondContact N-OE1 3.24Å; F62-E64 PolarHBondContact O-N 3.27Å
65F78.3Confident76.7Confident0 Ų060.9 Ų60.90%031%0.307CS..G310 helixtrans-97.3-9.5179-58.8-59.6000114.2Y13 R14 C43 L47 L53 L56 Q59 R61 F62 D63Y13-F65 HydrophobicContact CE1-CB 4.21Å; Y13-F65 HydrophobicContact CE1-CD1 4.02Å; Y13-F65 HydrophobicContact CE2-CB 3.67Å; Y13-F65 HydrophobicContact CE2-CD1 4.46Å; Y13-F65 HydrophobicContact CE2-CG 4.26Å; Y13-F65 VanDerWaalsContact CZ-CB 3.49Å; Y13-F65 AromaticContact CZ-CD1 3.51Å; Y13-F65 AromaticContact CZ-CG 3.73Å; Y13-F65 WeakPolarHBondContact OH-CB 3.41Å; Y13-F65 WeakPolarHBondContact OH-CD1 3.25Å; Y13-F65 VanDerWaalsContact OH-CE1 3.24Å; Y13-F65 WeakPolarHBondContact OH-CE1 3.33Å; Y13-F65 WeakPolarHBondContact OH-CG 3.47Å; R14-F65 WeakPolarHBondContact CB-O 3.49Å; R14-F65 PolarHBondContact N-O 3.48Å; C43-F65 HydrophobicContact CB-CD1 4.38Å; C43-F65 HydrophobicContact CB-CE1 3.94Å; L47-F65 HydrophobicContact CD1-CB 4.33Å; L47-F65 HydrophobicContact CD1-CD1 4.25Å; L47-F65 HydrophobicContact CD1-CD2 3.72Å; L47-F65 HydrophobicContact CD1-CE1 4.35Å; L47-F65 HydrophobicContact CD1-CE2 4Å; L47-F65 HydrophobicContact CD1-CG 3.85Å; L47-F65 HydrophobicContact CD1-CZ 4.25Å; L47-F65 HydrophobicContact CD2-CD2 4.38Å; L47-F65 HydrophobicContact CD2-CE2 4.07Å; L53-F65 HydrophobicContact CD2-CE2 3.47Å; L53-F65 VanDerWaalsContact CD2-CE2 3.47Å; L53-F65 HydrophobicContact CD2-CZ 3.8Å; L56-F65 HydrophobicContact CD1-CE1 3.99Å; L56-F65 HydrophobicContact CD1-CZ 3.63Å; Q59-F65 HydrophobicContact CB-CE1 3.77Å; Q59-F65 HydrophobicContact CB-CE2 4.16Å; Q59-F65 HydrophobicContact CB-CZ 3.45Å; Q59-F65 VanDerWaalsContact CB-CZ 3.45Å; Q59-F65 HydrophobicContact CG-CD1 4.16Å; Q59-F65 HydrophobicContact CG-CE1 3.5Å; Q59-F65 HydrophobicContact CG-CZ 3.77Å; R61-F65 WeakPolarHBondContact O-CE2 3.44Å; F62-F65 HydrophobicContact CD1-CD2 4.43Å; F62-F65 HydrophobicContact CD1-CE2 4.4Å; F62-F65 WeakPolarHBondContact O-CB 3.37Å; F62-F65 WeakPolarHBondContact O-CD2 3.35Å; F62-F65 PolarHBondContact O-N 2.98Å; D63-F65 PolarHBondContact O-N 3.12Å
66I75.9Confident76.5Confident24 Ų2462.6 Ų62.612%0.12331%0.313CS..SBendtrans-84.1136.2177.7-58.1174.8000108.2D63 Q70 A73D63-I66 PolarHBondContact O-N 2.99Å; D63-I66 VanDerWaalsContact O-N 3.1Å; I66-Q70 HydrophobicContact CG2-CB 3.96Å; I66-Q70 WeakPolarHBondContact CG2-O 3.16Å; I66-A73 HydrophobicContact CG1-CB 4.14Å
67K76.5Confident76.3Confident57 Ų5762.3 Ų62.325%0.24831%0.312CS..PPolyproline II helixtrans-60.9138.8176.6179.5172179.8-179.40109.2R14 D17 G69 Q70R14-K67 WeakPolarHBondContact O-CB 3.48Å; R14-K67 WeakPolarHBondContact O-CG 3.32Å; D17-K67 IonicContact OD1-NZ 2.76Å; D17-K67 PolarHBondContact OD1-NZ 3.21Å; D17-K67 IonicContact OD2-NZ 2.82Å; D17-K67 PolarHBondContact OD2-NZ 3.06Å; K67-G69 PolarHBondContact O-N 3.27Å; K67-Q70 HydrophobicContact CB-CB 4.45Å; K67-Q70 HydrophobicContact CB-CG 4Å; K67-Q70 HydrophobicContact CG-CG 4.37Å; K67-Q70 WeakPolarHBondContact O-CB 3.26Å; K67-Q70 PolarHBondContact O-N 3.42Å
68W76Confident76.4Confident248 Ų24863 Ų6394%0.93930%0.304SS*.THydrogen-bonded Turntrans-57.8131.6179.7-173.487.6000110.8
69G80.1Confident76.4Confident61 Ų6157.5 Ų57.563%0.62928%0.284SS*.THydrogen-bonded Turntrans842.6-17500000115.2K67K67-G69 PolarHBondContact O-N 3.27Å
70Q79.4Confident76Confident97 Ų9759.6 Ų59.645%0.45330%0.295SS..  trans-108.2149.4172.5-58.7-60.7-34.600110.9I66 K67I66-Q70 HydrophobicContact CG2-CB 3.96Å; I66-Q70 WeakPolarHBondContact CG2-O 3.16Å; K67-Q70 HydrophobicContact CB-CB 4.45Å; K67-Q70 HydrophobicContact CB-CG 4Å; K67-Q70 HydrophobicContact CG-CG 4.37Å; K67-Q70 WeakPolarHBondContact O-CB 3.26Å; K67-Q70 PolarHBondContact O-N 3.42Å
71D78.2Confident75.3Confident111 Ų11155.5 Ų55.559%0.59427%0.267SS*.SBendtrans-93.8-13.9178.6-66.3-31.2000113.2Q94D71-Q94 HydrophobicContact CB-CG 4.4Å; D71-Q94 VanDerWaalsContact O-CG 3.25Å; D71-Q94 WeakPolarHBondContact O-CG 3.09Å; D71-Q94 PolarHBondContact O-N 3.08Å
72H77.4Confident74.1Confident88 Ų8856.7 Ų56.741%0.40728%0.277SS..EExtended strand (participates in β ladder)trans-147.9161.5-178.466.2-73.9000111.3E74 I92 V93H72-E74 IonicContact CD2-OE1 3.23Å; H72-I92 CarbonylContact C-O 3.58Å; H72-I92 WeakPolarHBondContact CA-O 3.17Å; H72-I92 WeakPolarHBondContact CB-O 3.45Å; H72-V93 HydrophobicContact CB-CB 4.45Å; H72-V93 HydrophobicContact CB-CG1 4.45Å; H72-V93 HydrophobicContact CB-CG2 4.15Å
73A76.2Confident72.5Confident5 Ų559.5 Ų59.54%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-134.9145.5171.700000108.8I66 I92I66-A73 HydrophobicContact CG1-CB 4.14Å; A73-I92 PolarHBondContact N-O 3.4Å; A73-I92 CarbonylContact O-C 3.59Å; A73-I92 WeakPolarHBondContact O-CA 3.37Å; A73-I92 WeakPolarHBondContact O-CB 3.49Å; A73-I92 PolarHBondContact O-N 3.34Å
74E75.7Confident71.6Confident32 Ų3265.1 Ų65.115%0.1532%0.319CS..EExtended strand (participates in β ladder)trans-121.9133.8-179.6-58.2-162169.300109.9F12 H72 R91F12-E74 CarbonylContact C-O 3.59Å; F12-E74 WeakPolarHBondContact CA-O 3.35Å; F12-E74 HydrophobicContact CB-CB 4.24Å; F12-E74 VanDerWaalsContact CB-O 3.29Å; F12-E74 WeakPolarHBondContact CB-O 3.48Å; F12-E74 HydrophobicContact CD2-CB 4.15Å; F12-E74 HydrophobicContact CG-CB 4.47Å; F12-E74 PolarHBondContact N-O 3.38Å; F12-E74 PolarHBondContact O-N 2.78Å; F12-E74 VanDerWaalsContact O-O 3.05Å; H72-E74 IonicContact CD2-OE1 3.23Å; E74-R91 HydrophobicContact CG-CB 4.42Å; E74-R91 HydrophobicContact CG-CG 3.99Å; E74-R91 VanDerWaalsContact OE1-CD 3.23Å; E74-R91 WeakPolarHBondContact OE1-CD 3.4Å; E74-R91 IonicContact OE1-CZ 3.54Å; E74-R91 IonicContact OE1-NE 3.53Å; E74-R91 PolarHBondContact OE1-NE 3.35Å; E74-R91 IonicContact OE1-NH1 2.65Å; E74-R91 PolarHBondContact OE1-NH1 3.03Å; E74-R91 IonicContact OE2-CZ 3.36Å; E74-R91 VanDerWaalsContact OE2-CZ 3.24Å; E74-R91 IonicContact OE2-NE 3.87Å; E74-R91 PolarHBondContact OE2-NE 3.46Å; E74-R91 IonicContact OE2-NH1 3.11Å; E74-R91 PolarHBondContact OE2-NH1 3.04Å; E74-R91 IonicContact OE2-NH2 3.2Å
75V76.1Confident70.4Confident1 Ų165.5 Ų65.51%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-127.7119.4174.4-175.50000107.9L11 Y13 A44 V48 V77 I90L11-V75 HydrophobicContact CD2-CB 4.33Å; L11-V75 HydrophobicContact CD2-CG1 3.51Å; L11-V75 HydrophobicContact CD2-CG2 4.1Å; L11-V75 HydrophobicContact CG-CG1 4.5Å; Y13-V75 HydrophobicContact CD2-CG2 3.67Å; Y13-V75 HydrophobicContact CE2-CG2 4.12Å; A44-V75 HydrophobicContact CB-CB 4.49Å; A44-V75 HydrophobicContact CB-CG1 3.84Å; A44-V75 HydrophobicContact CB-CG2 3.82Å; V48-V75 HydrophobicContact CG2-CB 3.71Å; V48-V75 HydrophobicContact CG2-CG1 3.16Å; V75-V77 HydrophobicContact CG1-CG2 4.4Å; V75-I90 CarbonylContact C-O 3.41Å; V75-I90 PolarHBondContact N-O 2.8Å; V75-I90 CarbonylContact O-C 3.48Å; V75-I90 WeakPolarHBondContact O-CA 3.31Å; V75-I90 PolarHBondContact O-N 2.84Å
76E74.8Confident69.6Low44 Ų4467.8 Ų67.821%0.20634%0.34CS..EExtended strand (participates in β ladder)trans-111139.1173.7172.4171.4-157.200109.3P9 K10 W88 I89P9-E76 CarbonylContact C-O 3.58Å; K10-E76 CarbonylContact C-O 3.59Å; K10-E76 HydrophobicContact CB-CB 4.12Å; K10-E76 HydrophobicContact CB-CG 4.41Å; K10-E76 PolarHBondContact N-O 2.83Å; K10-E76 CarbonylContact O-C 3.57Å; K10-E76 PolarHBondContact O-N 2.87Å; E76-W88 CarbonylContact C-O 3.51Å; E76-W88 WeakPolarHBondContact CA-O 3.4Å; E76-I89 HydrophobicContact CB-CB 4.5Å; E76-I89 HydrophobicContact CB-CG1 3.98Å; E76-I89 VanDerWaalsContact CD-CG1 3.42Å; E76-I89 HydrophobicContact CG-CG1 3.64Å; E76-I89 WeakPolarHBondContact OE1-CG1 3.41Å
77V76.5Confident68.6Low1 Ų169.7 Ų69.71%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-135.3125.9175.1173.50000107.8V7 P9 L45 V48 F49 V75 I79 W88V7-V77 HydrophobicContact CG1-CG1 3.37Å; P9-V77 HydrophobicContact CB-CG2 4.1Å; L45-V77 HydrophobicContact CD2-CG2 4.01Å; V48-V77 HydrophobicContact CB-CG2 4.08Å; V48-V77 HydrophobicContact CG1-CB 3.87Å; V48-V77 HydrophobicContact CG1-CG2 3.75Å; V48-V77 HydrophobicContact CG2-CG2 3.77Å; F49-V77 HydrophobicContact CE2-CG1 4.2Å; F49-V77 HydrophobicContact CZ-CG1 3.78Å; V75-V77 HydrophobicContact CG1-CG2 4.4Å; V77-I79 HydrophobicContact CG1-CG1 4.27Å; V77-W88 PolarHBondContact N-O 3.39Å; V77-W88 PolarHBondContact O-N 2.81Å; V77-W88 VanDerWaalsContact O-O 3.13Å
78E73.3Confident67.9Low52 Ų5269.9 Ų69.924%0.24335%0.354CS..EExtended strand (participates in β ladder)trans-104133.2173.1175.3174.8-144.200109.7V7 T8 C85V7-E78 CarbonylContact C-O 3.59Å; V7-E78 WeakPolarHBondContact CA-O 3.4Å; T8-E78 PolarHBondContact N-O 3.38Å; T8-E78 PolarHBondContact O-N 2.98Å; T8-E78 WeakPolarHBondContact OG1-CB 3.4Å; T8-E78 PolarHBondContact OG1-O 3.45Å; E78-C85 WeakPolarHBondContact CG-SG 3.37Å; E78-C85 PolarHBondContact OE1-SG 2.79Å
79I71.1Confident67.1Low0 Ų062.2 Ų62.20%033%0.331CS..EExtended strand (participates in β ladder)trans-115.7116174.8-52.6-161.7000108.2V6 V7 F49 V77 A81 I86 F106 I112V6-I79 WeakPolarHBondContact O-CA 3.4Å; V7-I79 HydrophobicContact CG2-CD1 4.05Å; V7-I79 HydrophobicContact CG2-CG1 4.08Å; V7-I79 HydrophobicContact CG2-CG2 4.49Å; F49-I79 HydrophobicContact CE1-CD1 3.79Å; F49-I79 HydrophobicContact CZ-CD1 3.66Å; F49-I79 HydrophobicContact CZ-CG1 4.39Å; V77-I79 HydrophobicContact CG1-CG1 4.27Å; I79-A81 PolarHBondContact O-N 2.87Å; I79-I86 PolarHBondContact N-O 3.39Å; I79-I86 PolarHBondContact O-N 3.33Å; I79-F106 HydrophobicContact CB-CZ 4.19Å; I79-F106 HydrophobicContact CD1-CE1 3.45Å; I79-F106 VanDerWaalsContact CD1-CE1 3.45Å; I79-F106 HydrophobicContact CD1-CZ 3.73Å; I79-F106 HydrophobicContact CG1-CE1 4.34Å; I79-F106 HydrophobicContact CG1-CZ 4.28Å; I79-F106 HydrophobicContact CG2-CZ 4.47Å; I79-I112 HydrophobicContact CD1-CD1 3.87Å
80I67.6Low66.2Low64 Ų6459.5 Ų59.533%0.32830%0.302SS..EExtended strand (participates in β ladder)trans-89.5101.6177.5-52.3174.7000107.7G5 V6G5-I80 VanDerWaalsContact CA-O 3.23Å; G5-I80 WeakPolarHBondContact CA-O 3.36Å; V6-I80 HydrophobicContact CB-CB 4.26Å; V6-I80 HydrophobicContact CB-CD1 4.32Å; V6-I80 PolarHBondContact N-O 2.86Å; V6-I80 PolarHBondContact O-N 3.09Å
81A61.1Low65.2Low2 Ų261.2 Ų61.22%0.01730%0.304CS..EExtended strand (participates in β ladder)trans-120.489.8178.200000110.1I79 Y84 Y110I79-A81 PolarHBondContact O-N 2.87Å; A81-Y84 CarbonylContact C-O 3.58Å; A81-Y84 WeakPolarHBondContact CA-O 3.28Å; A81-Y84 PolarHBondContact N-O 3.3Å; A81-Y84 CarbonylContact O-C 3.57Å; A81-Y84 WeakPolarHBondContact O-CA 3.28Å; A81-Y84 PolarHBondContact O-N 2.97Å; A81-Y110 HydrophobicContact CB-CE1 4.03Å
82Q52.5Low64.3Low150 Ų15056 Ų5670%0.70128%0.276SS*.THydrogen-bonded Turntrans-50.5134.9-172.4-71.4-155.4-5.400113.1L2L2-Q82 WeakPolarHBondContact CD1-O 3.21Å; L2-Q82 WeakPolarHBondContact CD2-O 3.18Å
83P44.6Very low63.2Low109 Ų10954.2 Ų54.271%0.70827%0.272SS*.THydrogen-bonded Turncis-85.2-0.67.135-36.3000114.5
84Y54.4Low62.1Low163 Ų16360 Ų6064%0.63930%0.298SS*.EExtended strand (participates in β ladder)trans-100.8127.2-172.9-58.1-72.2000111.8A81A81-Y84 CarbonylContact C-O 3.58Å; A81-Y84 WeakPolarHBondContact CA-O 3.28Å; A81-Y84 PolarHBondContact N-O 3.3Å; A81-Y84 CarbonylContact O-C 3.57Å; A81-Y84 WeakPolarHBondContact O-CA 3.28Å; A81-Y84 PolarHBondContact O-N 2.97Å
85C54Low61Low67 Ų6763.6 Ų63.645%0.45332%0.316SS..EExtended strand (participates in β ladder)trans-87.7126.6158.6-161.90000108.5E78E78-C85 WeakPolarHBondContact CG-SG 3.37Å; E78-C85 PolarHBondContact OE1-SG 2.79Å
86I59.8Low60.1Low47 Ų4769 Ų6924%0.24134%0.341CS..EExtended strand (participates in β ladder)trans-120.8109.4177.3-55.8173.5000107.6I79 W88 F106I79-I86 PolarHBondContact N-O 3.39Å; I79-I86 PolarHBondContact O-N 3.33Å; I86-W88 HydrophobicContact CG2-CD2 4.43Å; I86-W88 HydrophobicContact CG2-CZ2 3.72Å; I86-F106 HydrophobicContact CB-CE2 4.32Å; I86-F106 HydrophobicContact CD1-CE2 3.82Å; I86-F106 HydrophobicContact CG2-CE2 4.13Å
87S56.1Low59.7Low65 Ų6569.5 Ų69.546%0.45534%0.341SS..EExtended strand (participates in β ladder)trans-93.1140.1172.560.30000111.8
88W61.9Low59Low60 Ų6075.9 Ų75.923%0.22737%0.366CS..EExtended strand (participates in β ladder)trans-130.1125176.7-63.7100.6000110.2E76 V77 I86 F102 V103 F106E76-W88 CarbonylContact C-O 3.51Å; E76-W88 WeakPolarHBondContact CA-O 3.4Å; V77-W88 PolarHBondContact N-O 3.39Å; V77-W88 PolarHBondContact O-N 2.81Å; V77-W88 VanDerWaalsContact O-O 3.13Å; I86-W88 HydrophobicContact CG2-CD2 4.43Å; I86-W88 HydrophobicContact CG2-CZ2 3.72Å; W88-F102 HydrophobicContact CH2-CB 3.73Å; W88-F102 HydrophobicContact CZ3-CB 3.77Å; W88-V103 HydrophobicContact CD2-CG2 4.15Å; W88-V103 HydrophobicContact CE3-CG2 3.82Å; W88-V103 HydrophobicContact CZ3-CG2 4.41Å; W88-F106 AromaticContact CE2-CD2 3.98Å; W88-F106 HydrophobicContact CZ2-CB 4.17Å; W88-F106 AromaticContact CZ2-CD2 3.84Å; W88-F106 HydrophobicContact CZ2-CD2 3.84Å; W88-F106 HydrophobicContact CZ2-CG 4.1Å; W88-F106 AromaticContact NE1-CD1 3.84Å; W88-F106 AromaticContact NE1-CD2 3.57Å; W88-F106 AromaticContact NE1-CE1 3.92Å; W88-F106 AromaticContact NE1-CE2 3.59Å; W88-F106 AromaticContact NE1-CG 3.69Å; W88-F106 AromaticContact NE1-CZ 3.8Å
89I58.6Low58.6Low88 Ų8875 Ų7545%0.45136%0.363SS..EExtended strand (participates in β ladder)trans-104.2125.2174.3-58.5165000108.2E76 R91E76-I89 HydrophobicContact CB-CB 4.5Å; E76-I89 HydrophobicContact CB-CG1 3.98Å; E76-I89 VanDerWaalsContact CD-CG1 3.42Å; E76-I89 HydrophobicContact CG-CG1 3.64Å; E76-I89 WeakPolarHBondContact OE1-CG1 3.41Å; I89-R91 HydrophobicContact CG2-CG 4.11Å
90I60.9Low58.1Low3 Ų377.7 Ų77.72%0.01538%0.381CS..EExtended strand (participates in β ladder)trans-113.3120.9169-73.6175.1000109V48 V75 I92 R97 I99 V103V48-I90 HydrophobicContact CB-CD1 4.06Å; V48-I90 HydrophobicContact CG1-CD1 3.92Å; V48-I90 HydrophobicContact CG2-CB 4.38Å; V48-I90 HydrophobicContact CG2-CD1 4.37Å; V48-I90 WeakPolarHBondContact O-CD1 3.17Å; V75-I90 CarbonylContact C-O 3.41Å; V75-I90 PolarHBondContact N-O 2.8Å; V75-I90 CarbonylContact O-C 3.48Å; V75-I90 WeakPolarHBondContact O-CA 3.31Å; V75-I90 PolarHBondContact O-N 2.84Å; I90-I92 HydrophobicContact CG2-CG1 4.47Å; I90-R97 HydrophobicContact CG2-CG 4.41Å; I90-I99 HydrophobicContact CD1-CG2 4.41Å; I90-V103 HydrophobicContact CD1-CB 4.5Å; I90-V103 HydrophobicContact CD1-CG1 4.02Å; I90-V103 HydrophobicContact CD1-CG2 4.15Å
91R58.5Low57.8Low134 Ų13480.9 Ų80.951%0.50640%0.398SS..EExtended strand (participates in β ladder)trans-99.7126.2174.1-60.1-173.9179.4-134.1-0.5109.1E74 I89 V93E74-R91 HydrophobicContact CG-CB 4.42Å; E74-R91 HydrophobicContact CG-CG 3.99Å; E74-R91 VanDerWaalsContact OE1-CD 3.23Å; E74-R91 WeakPolarHBondContact OE1-CD 3.4Å; E74-R91 IonicContact OE1-CZ 3.54Å; E74-R91 IonicContact OE1-NE 3.53Å; E74-R91 PolarHBondContact OE1-NE 3.35Å; E74-R91 IonicContact OE1-NH1 2.65Å; E74-R91 PolarHBondContact OE1-NH1 3.03Å; E74-R91 IonicContact OE2-CZ 3.36Å; E74-R91 VanDerWaalsContact OE2-CZ 3.24Å; E74-R91 IonicContact OE2-NE 3.87Å; E74-R91 PolarHBondContact OE2-NE 3.46Å; E74-R91 IonicContact OE2-NH1 3.11Å; E74-R91 PolarHBondContact OE2-NH1 3.04Å; E74-R91 IonicContact OE2-NH2 3.2Å; I89-R91 HydrophobicContact CG2-CG 4.11Å; R91-V93 HydrophobicContact CB-CG2 4.38Å
92I58.6Low57.9Low0 Ų087.7 Ų87.70%043%0.427CS..EExtended strand (participates in β ladder)trans-100.7110.3172-57176.7000106.5Y13 L47 H72 A73 I90Y13-I92 HydrophobicContact CE2-CD1 4.45Å; L47-I92 HydrophobicContact CB-CD1 4.46Å; L47-I92 HydrophobicContact CD1-CD1 3.81Å; H72-I92 CarbonylContact C-O 3.58Å; H72-I92 WeakPolarHBondContact CA-O 3.17Å; H72-I92 WeakPolarHBondContact CB-O 3.45Å; A73-I92 PolarHBondContact N-O 3.4Å; A73-I92 CarbonylContact O-C 3.59Å; A73-I92 WeakPolarHBondContact O-CA 3.37Å; A73-I92 WeakPolarHBondContact O-CB 3.49Å; A73-I92 PolarHBondContact O-N 3.34Å; I90-I92 HydrophobicContact CG2-CG1 4.47Å
93V55.6Low58.6Low52 Ų5280.7 Ų80.732%0.31540%0.395SS..EExtended strand (participates in β ladder)trans-118.7125.6-178.7-176.80000108.3H72 R91 M95 Q96 Y98H72-V93 HydrophobicContact CB-CB 4.45Å; H72-V93 HydrophobicContact CB-CG1 4.45Å; H72-V93 HydrophobicContact CB-CG2 4.15Å; R91-V93 HydrophobicContact CB-CG2 4.38Å; V93-M95 PolarHBondContact O-N 3.11Å; V93-Q96 PolarHBondContact N-O 3.37Å; V93-Q96 PolarHBondContact O-N 3.23Å; V93-Y98 HydrophobicContact CB-CD2 4.46Å; V93-Y98 HydrophobicContact CB-CE2 4.1Å
94Q52.9Low59.8Low127 Ų12779.1 Ų79.159%0.59338%0.378SS*.THydrogen-bonded Turntrans40.661.8165.8-63.3-176.4-20.900114.7D71 Q96D71-Q94 HydrophobicContact CB-CG 4.4Å; D71-Q94 VanDerWaalsContact O-CG 3.25Å; D71-Q94 WeakPolarHBondContact O-CG 3.09Å; D71-Q94 PolarHBondContact O-N 3.08Å; Q94-Q96 VanDerWaalsContact C-N 3.29Å; Q94-Q96 PolarHBondContact O-N 3.12Å
95M52.6Low60.3Low106 Ų10674.3 Ų74.352%0.52237%0.368SS..THydrogen-bonded Turntrans75.2-5177.6-43-147.5175.300117.3D63 V93D63-M95 HydrophobicContact CB-CE 4.08Å; D63-M95 HydrophobicContact CB-CG 4.13Å; D63-M95 HydrophobicContact CB-SD 4.32Å; V93-M95 PolarHBondContact O-N 3.11Å
96Q57.3Low61Low116 Ų11672.1 Ų72.154%0.54235%0.351SS..EExtended strand (participates in β ladder)trans-110.1128.2175.8-67.3-167.90.800111.4V93 Q94 Y98V93-Q96 PolarHBondContact N-O 3.37Å; V93-Q96 PolarHBondContact O-N 3.23Å; Q94-Q96 VanDerWaalsContact C-N 3.29Å; Q94-Q96 PolarHBondContact O-N 3.12Å; Q96-Y98 HydrophobicContact CB-CD2 4.41Å; Q96-Y98 HydrophobicContact CB-CE2 3.8Å; Q96-Y98 PolarHBondContact O-N 2.93Å; Q96-Y98 PolarHBondContact OE1-OH 2.74Å; Q96-Y98 VanDerWaalsContact OE1-OH 3.1Å
97R65.7Low61.6Low53 Ų5370.1 Ų70.120%0.234%0.341CS..EExtended strand (participates in β ladder)trans-85.6107167.7-170.5179.651.1171.3-0.3108.1L47 A50 G51 F62 I90 I99L47-R97 WeakPolarHBondContact O-CD 3.33Å; L47-R97 PolarHBondContact O-NH1 3.46Å; A50-R97 PolarHBondContact O-NH2 3Å; G51-R97 PolarHBondContact O-NH1 3.28Å; G51-R97 PolarHBondContact O-NH2 3.36Å; G51-R97 VanDerWaalsContact O-NH2 3.07Å; F62-R97 HydrophobicContact CD1-CB 4.07Å; F62-R97 HydrophobicContact CE1-CB 3.87Å; F62-R97 HydrophobicContact CE1-CG 4.39Å; F62-R97 HydrophobicContact CZ-CB 4.21Å; I90-R97 HydrophobicContact CG2-CG 4.41Å; R97-I99 HydrophobicContact CB-CG1 4.48Å; R97-I99 HydrophobicContact CG-CD1 4.06Å; R97-I99 HydrophobicContact CG-CG1 3.59Å; R97-I99 PolarHBondContact O-N 3.25Å; R97-I99 VanDerWaalsContact O-N 3.14Å
98Y61.6Low62.4Low136 Ų13673.1 Ų73.153%0.53334%0.343SS..  trans-8292.4173.7-66.9-82.1000109.1V93 Q96V93-Y98 HydrophobicContact CB-CD2 4.46Å; V93-Y98 HydrophobicContact CB-CE2 4.1Å; Q96-Y98 HydrophobicContact CB-CD2 4.41Å; Q96-Y98 HydrophobicContact CB-CE2 3.8Å; Q96-Y98 PolarHBondContact O-N 2.93Å; Q96-Y98 PolarHBondContact OE1-OH 2.74Å; Q96-Y98 VanDerWaalsContact OE1-OH 3.1Å
99I65.6Low62.6Low34 Ų3472.3 Ų72.317%0.17435%0.353CS..  trans-97.9120.4173.8-47.5172.1000108.9A50 I90 R97 V103 Q104A50-I99 HydrophobicContact CB-CD1 3.56Å; A50-I99 HydrophobicContact CB-CG2 4.23Å; I90-I99 HydrophobicContact CD1-CG2 4.41Å; R97-I99 HydrophobicContact CB-CG1 4.48Å; R97-I99 HydrophobicContact CG-CD1 4.06Å; R97-I99 HydrophobicContact CG-CG1 3.59Å; R97-I99 PolarHBondContact O-N 3.25Å; R97-I99 VanDerWaalsContact O-N 3.14Å; I99-V103 HydrophobicContact CG2-CB 3.82Å; I99-V103 HydrophobicContact CG2-CG1 4.23Å; I99-V103 HydrophobicContact CG2-CG2 4.45Å; I99-Q104 HydrophobicContact CG2-CG 4.37Å
100S59.4Low63.2Low55 Ų5571.8 Ų71.839%0.38535%0.346SS..  trans-62.5136168.1179.40000110.8F102 V103S100-F102 PolarHBondContact O-N 2.92Å; S100-F102 WeakPolarHBondContact OG-CB 3.4Å; S100-F102 WeakPolarHBondContact OG-CD2 3.32Å; S100-F102 PolarHBondContact OG-N 2.62Å; S100-V103 PolarHBondContact O-N 3.26Å
101I63Low63.9Low132 Ų13272.2 Ų72.268%0.67735%0.349SS*.Hα-helixtrans-52.7-27.1172.8-64.1168.5000111Q104 S105I101-Q104 PolarHBondContact O-N 3.43Å; I101-S105 WeakPolarHBondContact O-CB 3.28Å; I101-S105 PolarHBondContact O-N 3.04Å; I101-S105 VanDerWaalsContact O-N 3.12Å; I101-S105 PolarHBondContact O-OG 3.11Å
102F62.8Low65Low144 Ų14466.4 Ų66.463%0.63233%0.327SS*.Hα-helixtrans-61-40.8174.1-67.1-68.1000112.8W88 S100 Q104 S105 F106W88-F102 HydrophobicContact CH2-CB 3.73Å; W88-F102 HydrophobicContact CZ3-CB 3.77Å; S100-F102 PolarHBondContact O-N 2.92Å; S100-F102 WeakPolarHBondContact OG-CB 3.4Å; S100-F102 WeakPolarHBondContact OG-CD2 3.32Å; S100-F102 PolarHBondContact OG-N 2.62Å; F102-Q104 PolarHBondContact O-N 3.42Å; F102-S105 PolarHBondContact O-N 3.43Å; F102-F106 WeakPolarHBondContact O-CB 3.11Å; F102-F106 PolarHBondContact O-N 2.94Å
103V67.9Low66.1Low3 Ų368.3 Ų68.32%0.01834%0.336CS..Hα-helixtrans-66.2-41.6-179.6178.60000111.5V48 W88 I90 I99 S100 S105 F106 A107V48-V103 WeakPolarHBondContact O-CG1 3.49Å; W88-V103 HydrophobicContact CD2-CG2 4.15Å; W88-V103 HydrophobicContact CE3-CG2 3.82Å; W88-V103 HydrophobicContact CZ3-CG2 4.41Å; I90-V103 HydrophobicContact CD1-CB 4.5Å; I90-V103 HydrophobicContact CD1-CG1 4.02Å; I90-V103 HydrophobicContact CD1-CG2 4.15Å; I99-V103 HydrophobicContact CG2-CB 3.82Å; I99-V103 HydrophobicContact CG2-CG1 4.23Å; I99-V103 HydrophobicContact CG2-CG2 4.45Å; S100-V103 PolarHBondContact O-N 3.26Å; V103-S105 VanDerWaalsContact C-N 3.32Å; V103-S105 PolarHBondContact O-N 2.66Å; V103-F106 PolarHBondContact O-N 2.91Å; V103-A107 WeakPolarHBondContact O-CB 3.48Å; V103-A107 PolarHBondContact O-N 3.32Å
104Q68.2Low67.6Low76 Ų7666 Ų6636%0.35532%0.322SS..Hα-helixtrans-64.9-38.6175.2-68.8-175.98.800112.3A50 I99 I101 F102 R108A50-Q104 HydrophobicContact CB-CG 3.69Å; I99-Q104 HydrophobicContact CG2-CG 4.37Å; I101-Q104 PolarHBondContact O-N 3.43Å; F102-Q104 PolarHBondContact O-N 3.42Å; Q104-R108 WeakPolarHBondContact O-CB 3.4Å; Q104-R108 VanDerWaalsContact O-CG 3.28Å; Q104-R108 WeakPolarHBondContact O-CG 3.48Å; Q104-R108 PolarHBondContact O-N 3Å; Q104-R108 VanDerWaalsContact O-N 3.14Å
105S65.5Low69.2Low63 Ų6363.8 Ų63.844%0.44132%0.315SS..Hα-helixtrans-69-40.5179-56.40000110.8I101 F102 V103 G109I101-S105 WeakPolarHBondContact O-CB 3.28Å; I101-S105 PolarHBondContact O-N 3.04Å; I101-S105 VanDerWaalsContact O-N 3.12Å; I101-S105 PolarHBondContact O-OG 3.11Å; F102-S105 PolarHBondContact O-N 3.43Å; V103-S105 VanDerWaalsContact C-N 3.32Å; V103-S105 PolarHBondContact O-N 2.66Å; S105-G109 PolarHBondContact O-N 2.68Å
106F68Low70.9Confident20 Ų2059 Ų599%0.08829%0.291CS..Hα-helixtrans-63.9-52.7174.7176.6-83.9000111.5F49 I79 I86 W88 F102 V103 R108 G109 Y110 I112F49-F106 HydrophobicContact CE1-CE1 4.46Å; I79-F106 HydrophobicContact CB-CZ 4.19Å; I79-F106 HydrophobicContact CD1-CE1 3.45Å; I79-F106 VanDerWaalsContact CD1-CE1 3.45Å; I79-F106 HydrophobicContact CD1-CZ 3.73Å; I79-F106 HydrophobicContact CG1-CE1 4.34Å; I79-F106 HydrophobicContact CG1-CZ 4.28Å; I79-F106 HydrophobicContact CG2-CZ 4.47Å; I86-F106 HydrophobicContact CB-CE2 4.32Å; I86-F106 HydrophobicContact CD1-CE2 3.82Å; I86-F106 HydrophobicContact CG2-CE2 4.13Å; W88-F106 AromaticContact CE2-CD2 3.98Å; W88-F106 HydrophobicContact CZ2-CB 4.17Å; W88-F106 AromaticContact CZ2-CD2 3.84Å; W88-F106 HydrophobicContact CZ2-CD2 3.84Å; W88-F106 HydrophobicContact CZ2-CG 4.1Å; W88-F106 AromaticContact NE1-CD1 3.84Å; W88-F106 AromaticContact NE1-CD2 3.57Å; W88-F106 AromaticContact NE1-CE1 3.92Å; W88-F106 AromaticContact NE1-CE2 3.59Å; W88-F106 AromaticContact NE1-CG 3.69Å; W88-F106 AromaticContact NE1-CZ 3.8Å; F102-F106 WeakPolarHBondContact O-CB 3.11Å; F102-F106 PolarHBondContact O-N 2.94Å; V103-F106 PolarHBondContact O-N 2.91Å; F106-R108 PolarHBondContact O-N 2.83Å; F106-G109 WeakPolarHBondContact O-CA 3.28Å; F106-G109 PolarHBondContact O-N 2.82Å; F106-Y110 HydrophobicContact CD1-CD2 4.01Å; F106-Y110 AromaticContact CD2-CD2 3.73Å; F106-Y110 HydrophobicContact CD2-CD2 3.73Å; F106-Y110 AromaticContact CD2-CE2 3.47Å; F106-Y110 HydrophobicContact CD2-CE2 3.47Å; F106-Y110 VanDerWaalsContact CD2-CE2 3.47Å; F106-Y110 AromaticContact CE1-CD2 3.68Å; F106-Y110 HydrophobicContact CE1-CD2 3.68Å; F106-Y110 HydrophobicContact CE1-CE2 4.14Å; F106-Y110 HydrophobicContact CE1-CG 4.28Å; F106-Y110 AromaticContact CE2-CD2 3.44Å; F106-Y110 HydrophobicContact CE2-CD2 3.44Å; F106-Y110 VanDerWaalsContact CE2-CD2 3.44Å; F106-Y110 AromaticContact CE2-CE2 3Å; F106-Y110 HydrophobicContact CE2-CE2 3Å; F106-Y110 AromaticContact CE2-CZ 3.77Å; F106-Y110 HydrophobicContact CG-CD2 4.01Å; F106-Y110 HydrophobicContact CG-CE2 4.22Å; F106-Y110 AromaticContact CZ-CD2 3.39Å; F106-Y110 HydrophobicContact CZ-CD2 3.39Å; F106-Y110 AromaticContact CZ-CE2 3.38Å; F106-Y110 HydrophobicContact CZ-CE2 3.38Å; F106-Y110 HydrophobicContact CZ-CG 4.1Å; F106-Y110 WeakPolarHBondContact O-CD2 3.32Å; F106-Y110 PolarHBondContact O-N 2.8Å; F106-I112 HydrophobicContact CE1-CD1 4.1Å
107A72.6Confident72.3Confident5 Ų554.3 Ų54.34%0.04127%0.269CS..Hα-helixtrans-54.4-43.5178.300000111.1F49 V103 Y110 N111 I112F49-A107 HydrophobicContact CD1-CB 4.32Å; V103-A107 WeakPolarHBondContact O-CB 3.48Å; V103-A107 PolarHBondContact O-N 3.32Å; A107-Y110 CarbonylContact O-C 3.56Å; A107-Y110 PolarHBondContact O-N 3.48Å; A107-N111 CarbonylContact O-C 3.53Å; A107-N111 PolarHBondContact O-N 2.63Å; A107-I112 HydrophobicContact CB-CB 4.12Å; A107-I112 PolarHBondContact O-N 3.5Å
108R72.5Confident73.3Confident129 Ų12951.8 Ų51.849%0.48726%0.26SS..Hα-helixtrans-64-40.2172.9-72177.3-167.9157.39.8113.2Q104 F106 N111 S148Q104-R108 WeakPolarHBondContact O-CB 3.4Å; Q104-R108 VanDerWaalsContact O-CG 3.28Å; Q104-R108 WeakPolarHBondContact O-CG 3.48Å; Q104-R108 PolarHBondContact O-N 3Å; Q104-R108 VanDerWaalsContact O-N 3.14Å; F106-R108 PolarHBondContact O-N 2.83Å; R108-N111 PolarHBondContact O-N 3.17Å; R108-S148 WeakPolarHBondContact O-CB 3.33Å
109G66.4Low74.5Confident43 Ų4345.6 Ų45.644%0.44324%0.236SC..Hα-helixtrans-58.4-46.8177.100000112.2S105 F106 N111 S148S105-G109 PolarHBondContact O-N 2.68Å; F106-G109 WeakPolarHBondContact O-CA 3.28Å; F106-G109 PolarHBondContact O-N 2.82Å; G109-N111 VanDerWaalsContact C-N 3.3Å; G109-N111 PolarHBondContact O-N 3.03Å; G109-S148 PolarHBondContact O-OG 2.86Å
110Y71.1Confident75.6Confident76 Ų7644.1 Ų44.130%0.29823%0.228SC..THydrogen-bonded Turntrans-87.58.8179-71.7-90.6000114.2A81 F106 A107 I112 P328A81-Y110 HydrophobicContact CB-CE1 4.03Å; F106-Y110 HydrophobicContact CD1-CD2 4.01Å; F106-Y110 AromaticContact CD2-CD2 3.73Å; F106-Y110 HydrophobicContact CD2-CD2 3.73Å; F106-Y110 AromaticContact CD2-CE2 3.47Å; F106-Y110 HydrophobicContact CD2-CE2 3.47Å; F106-Y110 VanDerWaalsContact CD2-CE2 3.47Å; F106-Y110 AromaticContact CE1-CD2 3.68Å; F106-Y110 HydrophobicContact CE1-CD2 3.68Å; F106-Y110 HydrophobicContact CE1-CE2 4.14Å; F106-Y110 HydrophobicContact CE1-CG 4.28Å; F106-Y110 AromaticContact CE2-CD2 3.44Å; F106-Y110 HydrophobicContact CE2-CD2 3.44Å; F106-Y110 VanDerWaalsContact CE2-CD2 3.44Å; F106-Y110 AromaticContact CE2-CE2 3Å; F106-Y110 HydrophobicContact CE2-CE2 3Å; F106-Y110 AromaticContact CE2-CZ 3.77Å; F106-Y110 HydrophobicContact CG-CD2 4.01Å; F106-Y110 HydrophobicContact CG-CE2 4.22Å; F106-Y110 AromaticContact CZ-CD2 3.39Å; F106-Y110 HydrophobicContact CZ-CD2 3.39Å; F106-Y110 AromaticContact CZ-CE2 3.38Å; F106-Y110 HydrophobicContact CZ-CE2 3.38Å; F106-Y110 HydrophobicContact CZ-CG 4.1Å; F106-Y110 WeakPolarHBondContact O-CD2 3.32Å; F106-Y110 PolarHBondContact O-N 2.8Å; A107-Y110 CarbonylContact O-C 3.56Å; A107-Y110 PolarHBondContact O-N 3.48Å; Y110-I112 PolarHBondContact O-N 2.83Å; Y110-P328 VanDerWaalsContact O-CD 3.26Å; Y110-P328 WeakPolarHBondContact O-CD 3.41Å
111N76.4Confident76.9Confident13 Ų1341.6 Ų41.67%0.0721%0.21CC..THydrogen-bonded Turntrans56.328.5-178.5-158.437.3000115A107 R108 G109 Q113 Q119 A144 S146A107-N111 CarbonylContact O-C 3.53Å; A107-N111 PolarHBondContact O-N 2.63Å; R108-N111 PolarHBondContact O-N 3.17Å; G109-N111 VanDerWaalsContact C-N 3.3Å; G109-N111 PolarHBondContact O-N 3.03Å; N111-Q113 PolarHBondContact O-N 3.21Å; N111-Q113 PolarHBondContact OD1-NE2 3.42Å; N111-Q119 PolarHBondContact O-NE2 3.49Å; N111-Q119 PolarHBondContact O-OE1 3.33Å; N111-Q119 VanDerWaalsContact O-OE1 3.12Å; N111-A144 PolarHBondContact ND2-O 3.26Å; N111-S146 PolarHBondContact ND2-O 2.9Å; N111-S146 VanDerWaalsContact ND2-O 3.16Å
112I80.7Confident77.9Confident12 Ų1235.5 Ų35.56%0.06218%0.18CC..  trans-75.2113.2174.5-58.1170000108.3F49 I79 F106 A107 Y110 V114 P328 F329F49-I112 HydrophobicContact CB-CG2 3.89Å; F49-I112 HydrophobicContact CD1-CD1 3.86Å; F49-I112 HydrophobicContact CD1-CG2 3.96Å; F49-I112 HydrophobicContact CD2-CG2 4.06Å; F49-I112 HydrophobicContact CE1-CD1 3.57Å; F49-I112 HydrophobicContact CG-CG2 3.69Å; F49-I112 HydrophobicContact CZ-CD1 4.05Å; I79-I112 HydrophobicContact CD1-CD1 3.87Å; F106-I112 HydrophobicContact CE1-CD1 4.1Å; A107-I112 HydrophobicContact CB-CB 4.12Å; A107-I112 PolarHBondContact O-N 3.5Å; Y110-I112 PolarHBondContact O-N 2.83Å; I112-V114 HydrophobicContact CG2-CG1 4.09Å; I112-P328 HydrophobicContact CD1-CG 3.78Å; I112-P328 HydrophobicContact CG1-CG 3.45Å; I112-P328 VanDerWaalsContact CG1-CG 3.45Å; I112-F329 HydrophobicContact CD1-CE1 4.12Å; I112-F329 HydrophobicContact CG1-CE1 4.24Å; I112-F329 HydrophobicContact CG2-CE1 3.9Å; I112-F329 HydrophobicContact CG2-CZ 3.95Å
113Q82.1Confident78.5Confident39 Ų3930.7 Ų30.718%0.18216%0.159CC..  trans-125.278-177.9-59.8176.640.800110.3N111 D115 N116 E143N111-Q113 PolarHBondContact O-N 3.21Å; N111-Q113 PolarHBondContact OD1-NE2 3.42Å; Q113-D115 PolarHBondContact O-N 2.93Å; Q113-D115 VanDerWaalsContact O-N 3.16Å; Q113-N116 HydrophobicContact CB-CB 3.56Å; Q113-N116 WeakPolarHBondContact O-CB 3.39Å; Q113-N116 PolarHBondContact O-N 3.25Å; Q113-N116 PolarHBondContact OE1-ND2 3.38Å; Q113-E143 VanDerWaalsContact NE2-C 3.3Å; Q113-E143 PolarHBondContact NE2-O 3.01Å
114V86.8Confident78.7Confident4 Ų433.9 Ų33.92%0.02418%0.176CC..THydrogen-bonded Turntrans-66.1-14178.6-66.40000114.3F49 I112 F120F49-V114 HydrophobicContact CB-CG1 3.73Å; F49-V114 HydrophobicContact CB-CG2 4.01Å; F49-V114 HydrophobicContact CD2-CG1 4.22Å; F49-V114 HydrophobicContact CG-CG1 4.38Å; I112-V114 HydrophobicContact CG2-CG1 4.09Å; V114-F120 HydrophobicContact CB-CB 4.45Å; V114-F120 HydrophobicContact CB-CD2 4.15Å; V114-F120 HydrophobicContact CB-CG 4.17Å; V114-F120 HydrophobicContact CG1-CD2 3.85Å; V114-F120 HydrophobicContact CG1-CE2 4.18Å; V114-F120 HydrophobicContact CG1-CG 4.36Å; V114-F120 WeakPolarHBondContact O-CB 3.16Å; V114-F120 WeakPolarHBondContact O-CD1 3.31Å
115D86.7Confident79.3Confident81 Ų8130.2 Ų30.243%0.43316%0.159SC..THydrogen-bonded Turntrans-89.2-7.4171-69.6-52.5000113.1S52 A55 Q113S52-D115 VanDerWaalsContact CB-OD1 3.25Å; S52-D115 WeakPolarHBondContact CB-OD1 3.35Å; S52-D115 PolarHBondContact N-OD1 2.96Å; S52-D115 PolarHBondContact OG-OD1 3.47Å; A55-D115 WeakPolarHBondContact CB-OD1 3.4Å; Q113-D115 PolarHBondContact O-N 2.93Å; Q113-D115 VanDerWaalsContact O-N 3.16Å
116N87.8Confident80Confident4 Ų428 Ų282%0.02114%0.143CC..  trans-93.5114.2-179.2-174-25.1000109.5Q113 C118 Q119 F120 N140Q113-N116 HydrophobicContact CB-CB 3.56Å; Q113-N116 WeakPolarHBondContact O-CB 3.39Å; Q113-N116 PolarHBondContact O-N 3.25Å; Q113-N116 PolarHBondContact OE1-ND2 3.38Å; N116-C118 PolarHBondContact O-N 2.88Å; N116-C118 VanDerWaalsContact OD1-CB 3.26Å; N116-C118 WeakPolarHBondContact OD1-CB 3.4Å; N116-C118 PolarHBondContact OD1-N 3.45Å; N116-Q119 PolarHBondContact O-N 2.83Å; N116-F120 PolarHBondContact O-N 3.39Å; N116-N140 PolarHBondContact ND2-O 2.7Å; N116-N140 WeakPolarHBondContact OD1-CB 3.44Å
117L88.5Confident80.8Confident18 Ų1829.6 Ų29.69%0.09415%0.154CC..THydrogen-bonded Turntrans-60-19.2-178.8-60.3-178.3000113.5Q119 L121 N125 Q128 F129 Q132L117-Q119 VanDerWaalsContact C-N 3.32Å; L117-L121 HydrophobicContact CD2-CD1 4.48Å; L117-N125 HydrophobicContact CD2-CB 3.84Å; L117-Q128 HydrophobicContact CD1-CB 4.15Å; L117-F129 HydrophobicContact CB-CD2 3.81Å; L117-F129 HydrophobicContact CB-CE2 4.45Å; L117-F129 HydrophobicContact CD1-CB 4.36Å; L117-Q132 HydrophobicContact CD1-CG 4.33Å
118C86.9Confident81.4Confident0 Ų033.5 Ų33.50%017%0.172CC..THydrogen-bonded Turntrans-74.7-19.3173.8-61.90000112.8N116 A144 L321 R330N116-C118 PolarHBondContact O-N 2.88Å; N116-C118 VanDerWaalsContact OD1-CB 3.26Å; N116-C118 WeakPolarHBondContact OD1-CB 3.4Å; N116-C118 PolarHBondContact OD1-N 3.45Å; C118-A144 HydrophobicContact CB-CB 3.88Å; C118-L321 HydrophobicContact CB-CD1 3.88Å; C118-R330 PolarHBondContact O-NH1 3.04Å
119Q86.3Confident82.3Confident7 Ų727.7 Ų27.73%0.03315%0.15CC..THydrogen-bonded Turntrans-111.5-32.6179.1-65.8-174.51300113.5N111 N116 L117 A144 V327 R330 C331N111-Q119 PolarHBondContact O-NE2 3.49Å; N111-Q119 PolarHBondContact O-OE1 3.33Å; N111-Q119 VanDerWaalsContact O-OE1 3.12Å; N116-Q119 PolarHBondContact O-N 2.83Å; L117-Q119 VanDerWaalsContact C-N 3.32Å; Q119-A144 HydrophobicContact CG-CB 4.12Å; Q119-V327 HydrophobicContact CG-CG1 4.27Å; Q119-R330 WeakPolarHBondContact O-CA 3.3Å; Q119-C331 PolarHBondContact O-N 3.33Å
120F88.4Confident83.3Confident3 Ų326.1 Ų26.11%0.01313%0.132CC..EExtended strand (participates in β ladder)trans-134.4107.8-172.9-163.5-86.1000109.9M42 L45 C46 L56 V114 N116 C331M42-F120 HydrophobicContact CE-CD1 3.55Å; M42-F120 HydrophobicContact CE-CD2 4.44Å; M42-F120 HydrophobicContact CE-CE1 3.18Å; M42-F120 HydrophobicContact CE-CE2 4.16Å; M42-F120 HydrophobicContact CE-CG 4.17Å; M42-F120 HydrophobicContact CE-CZ 3.53Å; M42-F120 HydrophobicContact CG-CE1 3.79Å; M42-F120 HydrophobicContact CG-CE2 4.15Å; M42-F120 HydrophobicContact CG-CZ 3.33Å; M42-F120 WeakPolarHBondContact O-CZ 3.41Å; M42-F120 HydrophobicContact SD-CE1 4.05Å; M42-F120 HydrophobicContact SD-CZ 4.17Å; L45-F120 HydrophobicContact CB-CE2 4.29Å; C46-F120 HydrophobicContact CB-CE1 3.83Å; C46-F120 HydrophobicContact CB-CE2 4.39Å; C46-F120 HydrophobicContact CB-CZ 3.6Å; L56-F120 HydrophobicContact CD2-CE1 4.12Å; V114-F120 HydrophobicContact CB-CB 4.45Å; V114-F120 HydrophobicContact CB-CD2 4.15Å; V114-F120 HydrophobicContact CB-CG 4.17Å; V114-F120 HydrophobicContact CG1-CD2 3.85Å; V114-F120 HydrophobicContact CG1-CE2 4.18Å; V114-F120 HydrophobicContact CG1-CG 4.36Å; V114-F120 WeakPolarHBondContact O-CB 3.16Å; V114-F120 WeakPolarHBondContact O-CD1 3.31Å; N116-F120 PolarHBondContact O-N 3.39Å; F120-C331 HydrophobicContact CD2-CB 3.68Å; F120-C331 HydrophobicContact CE2-CB 3.64Å; F120-C331 HydrophobicContact CZ-CB 4.44Å
121L87.2Confident84.2Confident1 Ų130.3 Ų30.31%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-122.893.5-170.2-169.761.5000110.5M42 L117 N125 F129 I314 M318 C331 D333 I335M42-L121 WeakPolarHBondContact CE-O 3.37Å; L117-L121 HydrophobicContact CD2-CD1 4.48Å; L121-N125 HydrophobicContact CD1-CB 3.8Å; L121-F129 HydrophobicContact CD1-CB 4.34Å; L121-F129 HydrophobicContact CD1-CD2 4.48Å; L121-I314 HydrophobicContact CD2-CG2 3.55Å; L121-M318 HydrophobicContact CB-SD 4.41Å; L121-M318 HydrophobicContact CD2-SD 3.79Å; L121-C331 PolarHBondContact N-O 3.42Å; L121-D333 PolarHBondContact O-N 3.37Å; L121-I335 HydrophobicContact CD2-CD1 3.43Å; L121-I335 VanDerWaalsContact CD2-CD1 3.43Å
122A83Confident84.9Confident4 Ų431.4 Ų31.43%0.03315%0.152CC..  trans-70.1159.4176.300000111.7M42 D124 N125M42-A122 HydrophobicContact CE-CB 3.79Å; M42-A122 VanDerWaalsContact CE-N 3.26Å; M42-A122 HydrophobicContact SD-CB 3.83Å; A122-D124 VanDerWaalsContact C-N 3.27Å; A122-D124 PolarHBondContact O-N 3.02Å; A122-D124 VanDerWaalsContact O-N 3.12Å; A122-N125 WeakPolarHBondContact O-CB 3.45Å; A122-N125 PolarHBondContact O-N 3.08Å
123Q75.2Confident85.3Confident44 Ų4434.1 Ų34.121%0.20617%0.172CC..THydrogen-bonded Turntrans-47.6-45.3-174.7-178.71709.300113.9R58 N125 D333 E334R58-Q123 VanDerWaalsContact NH2-CG 3.31Å; Q123-N125 VanDerWaalsContact C-N 3.29Å; Q123-N125 PolarHBondContact O-N 2.86Å; Q123-D333 WeakPolarHBondContact CA-O 3.43Å; Q123-D333 HydrophobicContact CB-CB 4.5Å; Q123-E334 HydrophobicContact CB-CB 4.2Å; Q123-E334 HydrophobicContact CG-CB 3.74Å; Q123-E334 PolarHBondContact NE2-OE2 3.04Å
124D72.6Confident85.7Confident69 Ų6933.8 Ų33.837%0.36917%0.173SC..THydrogen-bonded Turntrans-85.9-0.3-176.2-57.5-25.9000113.5R58 A122R58-D124 WeakPolarHBondContact CD-OD2 3.4Å; R58-D124 WeakPolarHBondContact CG-OD2 3.44Å; R58-D124 IonicContact CZ-OD1 3.6Å; R58-D124 IonicContact CZ-OD2 3.35Å; R58-D124 IonicContact NE-OD1 2.69Å; R58-D124 IonicContact NE-OD2 3.35Å; R58-D124 PolarHBondContact NE-OD2 3.26Å; R58-D124 IonicContact NH2-OD1 3.36Å; R58-D124 PolarHBondContact NH2-OD1 3.22Å; R58-D124 IonicContact NH2-OD2 2.86Å; A122-D124 VanDerWaalsContact C-N 3.27Å; A122-D124 PolarHBondContact O-N 3.02Å; A122-D124 VanDerWaalsContact O-N 3.12Å
125N80.8Confident85.7Confident0 Ų036.4 Ų36.40%019%0.187CC..Hα-helixtrans-94.6-5-173.1-68.2-7.5000114A55 L117 L121 A122 Q123 V127 Q128 F129A55-N125 PolarHBondContact O-ND2 2.94Å; L117-N125 HydrophobicContact CD2-CB 3.84Å; L121-N125 HydrophobicContact CD1-CB 3.8Å; A122-N125 WeakPolarHBondContact O-CB 3.45Å; A122-N125 PolarHBondContact O-N 3.08Å; Q123-N125 VanDerWaalsContact C-N 3.29Å; Q123-N125 PolarHBondContact O-N 2.86Å; N125-V127 VanDerWaalsContact C-N 3.27Å; N125-V127 PolarHBondContact O-N 3.07Å; N125-Q128 HydrophobicContact CB-CB 4.44Å; N125-Q128 CarbonylContact O-C 3.56Å; N125-Q128 WeakPolarHBondContact O-CB 3.12Å; N125-Q128 PolarHBondContact O-N 3.31Å; N125-Q128 VanDerWaalsContact O-N 3.13Å; N125-Q128 VanDerWaalsContact OD1-CD 3.31Å; N125-Q128 PolarHBondContact OD1-NE2 3.46Å; N125-Q128 PolarHBondContact OD1-OE1 3.07Å; N125-F129 WeakPolarHBondContact O-CB 3.49Å; N125-F129 PolarHBondContact O-N 3.15Å
126V81.1Confident85.7Confident17 Ų1733.6 Ų33.610%0.10318%0.177CC..Hα-helixtrans-58-44173.8-178.50000110.4F129 S130 I314 I335V126-F129 WeakPolarHBondContact O-CB 3.2Å; V126-F129 PolarHBondContact O-N 2.97Å; V126-S130 PolarHBondContact O-N 3.23Å; V126-I314 HydrophobicContact CG1-CD1 3.59Å; V126-I314 WeakPolarHBondContact O-CD1 3.42Å; V126-I335 HydrophobicContact CG2-CD1 4.46Å; V126-I335 HydrophobicContact CG2-CG1 4.09Å
127V83.7Confident85.9Confident53 Ų5334 Ų3432%0.32118%0.179SC..Hα-helixtrans-65.7-43.2175.3-179.30000110.7N125 F129 S130 R131N125-V127 VanDerWaalsContact C-N 3.27Å; N125-V127 PolarHBondContact O-N 3.07Å; V127-F129 VanDerWaalsContact C-N 3.26Å; V127-F129 PolarHBondContact O-N 3.36Å; V127-S130 PolarHBondContact O-N 3.39Å; V127-S130 PolarHBondContact O-OG 2.83Å; V127-R131 WeakPolarHBondContact O-CG 3.15Å; V127-R131 PolarHBondContact O-N 2.83Å; V127-R131 VanDerWaalsContact O-N 3.11Å
128Q86.3Confident85.9Confident87 Ų8733.3 Ų33.341%0.40718%0.175SC..Hα-helixtrans-60.8-38177.3-62.6-171.97.400111.9L117 N125 S130 R131 Q132L117-Q128 HydrophobicContact CD1-CB 4.15Å; N125-Q128 HydrophobicContact CB-CB 4.44Å; N125-Q128 CarbonylContact O-C 3.56Å; N125-Q128 WeakPolarHBondContact O-CB 3.12Å; N125-Q128 PolarHBondContact O-N 3.31Å; N125-Q128 VanDerWaalsContact O-N 3.13Å; N125-Q128 VanDerWaalsContact OD1-CD 3.31Å; N125-Q128 PolarHBondContact OD1-NE2 3.46Å; N125-Q128 PolarHBondContact OD1-OE1 3.07Å; Q128-S130 VanDerWaalsContact C-N 3.35Å; Q128-S130 PolarHBondContact O-N 3.41Å; Q128-R131 PolarHBondContact O-N 2.93Å; Q128-R131 VanDerWaalsContact O-N 3.16Å; Q128-Q132 PolarHBondContact O-N 3.02Å
129F90.1Very high85.8Confident6 Ų638.2 Ų38.23%0.02620%0.197CC..Hα-helixtrans-59.5-47.7176.1-171.2-73000110.6L117 L121 N125 V126 V127 R131 Q132 L137 I287 I314 Y317L117-F129 HydrophobicContact CB-CD2 3.81Å; L117-F129 HydrophobicContact CB-CE2 4.45Å; L117-F129 HydrophobicContact CD1-CB 4.36Å; L121-F129 HydrophobicContact CD1-CB 4.34Å; L121-F129 HydrophobicContact CD1-CD2 4.48Å; N125-F129 WeakPolarHBondContact O-CB 3.49Å; N125-F129 PolarHBondContact O-N 3.15Å; V126-F129 WeakPolarHBondContact O-CB 3.2Å; V126-F129 PolarHBondContact O-N 2.97Å; V127-F129 VanDerWaalsContact C-N 3.26Å; V127-F129 PolarHBondContact O-N 3.36Å; F129-R131 PolarHBondContact O-N 2.74Å; F129-Q132 WeakPolarHBondContact O-CB 3.2Å; F129-Q132 WeakPolarHBondContact O-CG 3.31Å; F129-Q132 PolarHBondContact O-N 2.66Å; F129-Q132 PolarHBondContact O-NE2 3.43Å; F129-L137 HydrophobicContact CE1-CD1 4.15Å; F129-L137 HydrophobicContact CZ-CD1 3.8Å; F129-I287 HydrophobicContact CE1-CD1 3.9Å; F129-I287 HydrophobicContact CZ-CD1 4.4Å; F129-I314 HydrophobicContact CB-CD1 3.97Å; F129-I314 HydrophobicContact CD1-CB 4.48Å; F129-I314 HydrophobicContact CD1-CD1 3.8Å; F129-I314 HydrophobicContact CD1-CG1 3.57Å; F129-I314 HydrophobicContact CD1-CG2 4.17Å; F129-I314 HydrophobicContact CD2-CG2 4.16Å; F129-I314 HydrophobicContact CE1-CG1 3.99Å; F129-I314 HydrophobicContact CE1-CG2 4.39Å; F129-I314 HydrophobicContact CE2-CG2 4.4Å; F129-I314 HydrophobicContact CG-CD1 4.07Å; F129-I314 HydrophobicContact CG-CG1 4.13Å; F129-I314 HydrophobicContact CG-CG2 4.07Å; F129-Y317 HydrophobicContact CE1-CD1 4.36Å; F129-Y317 HydrophobicContact CE2-CD1 4.49Å; F129-Y317 AromaticContact CZ-CD1 3.61Å; F129-Y317 HydrophobicContact CZ-CD1 3.61Å; F129-Y317 AromaticContact CZ-CE1 3.83Å; F129-Y317 HydrophobicContact CZ-CE1 3.83Å
130S87.9Confident85.9Confident10 Ų1039.3 Ų39.37%0.0720%0.203CC..Hα-helixtrans-67.8-16.5178.366.80000114.5V126 V127 Q128V126-S130 PolarHBondContact O-N 3.23Å; V127-S130 PolarHBondContact O-N 3.39Å; V127-S130 PolarHBondContact O-OG 2.83Å; Q128-S130 VanDerWaalsContact C-N 3.35Å; Q128-S130 PolarHBondContact O-N 3.41Å
131R90.3Very high85.9Confident165 Ų16539.2 Ų39.262%0.62320%0.202SC*.THydrogen-bonded Turntrans-95.6-0.1178.5-73.2179.5174172.31.1113.8V127 Q128 F129 S133 D302V127-R131 WeakPolarHBondContact O-CG 3.15Å; V127-R131 PolarHBondContact O-N 2.83Å; V127-R131 VanDerWaalsContact O-N 3.11Å; Q128-R131 PolarHBondContact O-N 2.93Å; Q128-R131 VanDerWaalsContact O-N 3.16Å; F129-R131 PolarHBondContact O-N 2.74Å; R131-S133 PolarHBondContact O-N 2.87Å; R131-D302 IonicContact CZ-OD2 3.53Å; R131-D302 VanDerWaalsContact CZ-OD2 3.23Å; R131-D302 IonicContact NE-OD2 2.64Å; R131-D302 PolarHBondContact NE-OD2 3.33Å; R131-D302 IonicContact NH2-OD2 3.45Å; R131-D302 PolarHBondContact NH2-OD2 2.94Å
132Q89.7Confident85.7Confident36 Ų3640.5 Ų40.517%0.16821%0.21CC..  trans-60.8136177.6-70.5177.289.500110L117 Q128 F129 L137 N140L117-Q132 HydrophobicContact CD1-CG 4.33Å; Q128-Q132 PolarHBondContact O-N 3.02Å; F129-Q132 WeakPolarHBondContact O-CB 3.2Å; F129-Q132 WeakPolarHBondContact O-CG 3.31Å; F129-Q132 PolarHBondContact O-N 2.66Å; F129-Q132 PolarHBondContact O-NE2 3.43Å; Q132-L137 HydrophobicContact CB-CB 4.31Å; Q132-N140 PolarHBondContact OE1-ND2 3.22Å
133S90.4Very high85.6Confident68 Ų6843.1 Ų43.148%0.47622%0.222SC..  trans-63.7154.4169.265.40000109.9R131 L135 G136 L137R131-S133 PolarHBondContact O-N 2.87Å; S133-L135 PolarHBondContact O-N 2.96Å; S133-L135 VanDerWaalsContact O-N 3.16Å; S133-G136 CarbonylContact O-C 3.55Å; S133-G136 WeakPolarHBondContact O-CA 3.49Å; S133-G136 PolarHBondContact O-N 2.88Å; S133-G136 PolarHBondContact OG-N 3Å; S133-G136 VanDerWaalsContact OG-N 3.11Å; S133-L137 PolarHBondContact O-N 3.16Å
134P90.5Very high85.9Confident33 Ų3341 Ų4121%0.21421%0.212CC..Hα-helixtrans-53-39.7177.6-30.836.9000113.4L138 G284 L285 R286P134-L138 WeakPolarHBondContact O-CB 3.45Å; P134-L138 PolarHBondContact O-N 3.39Å; P134-G284 VanDerWaalsContact C-CA 3.44Å; P134-G284 CarbonylContact O-C 3.58Å; P134-G284 WeakPolarHBondContact O-CA 3.33Å; P134-L285 VanDerWaalsContact CA-O 3.31Å; P134-L285 WeakPolarHBondContact CA-O 3.21Å; P134-L285 PolarHBondContact O-N 3.16Å; P134-R286 HydrophobicContact CB-CG 4.32Å; P134-R286 HydrophobicContact CG-CG 4.26Å
135L86.3Confident86.2Confident59 Ų5938.8 Ų38.831%0.30920%0.2SC..Hα-helixtrans-66.4-40.9173.3179.366.1000112.4S133 L138 K139 D281 C283S133-L135 PolarHBondContact O-N 2.96Å; S133-L135 VanDerWaalsContact O-N 3.16Å; L135-L138 PolarHBondContact O-N 3.32Å; L135-K139 VanDerWaalsContact O-CB 3.31Å; L135-K139 WeakPolarHBondContact O-CB 3.25Å; L135-K139 PolarHBondContact O-N 3.43Å; L135-D281 HydrophobicContact CD2-CB 3.71Å; L135-C283 WeakPolarHBondContact CD1-O 3.38Å
136G87.5Confident85.4Confident21 Ų2141.5 Ų41.522%0.21622%0.22CC..Hα-helixtrans-61.3-45.5177.100000111.9S133 K139 N140S133-G136 CarbonylContact O-C 3.55Å; S133-G136 WeakPolarHBondContact O-CA 3.49Å; S133-G136 PolarHBondContact O-N 2.88Å; S133-G136 PolarHBondContact OG-N 3Å; S133-G136 VanDerWaalsContact OG-N 3.11Å; G136-K139 PolarHBondContact O-N 2.65Å; G136-N140 WeakPolarHBondContact O-CB 3.46Å; G136-N140 PolarHBondContact O-N 3.42Å
137L91.6Very high83.9Confident12 Ų1244.4 Ų44.46%0.06324%0.24CC..Hα-helixtrans-64.1-45.1175.6-179.462.6000111.5F129 Q132 S133 K139 N140 T141 L285 I287 Y317F129-L137 HydrophobicContact CE1-CD1 4.15Å; F129-L137 HydrophobicContact CZ-CD1 3.8Å; Q132-L137 HydrophobicContact CB-CB 4.31Å; S133-L137 PolarHBondContact O-N 3.16Å; L137-K139 VanDerWaalsContact C-N 3.31Å; L137-K139 PolarHBondContact O-N 3.08Å; L137-N140 PolarHBondContact O-N 2.91Å; L137-T141 WeakPolarHBondContact O-CB 3.41Å; L137-T141 PolarHBondContact O-N 3.12Å; L137-T141 PolarHBondContact O-OG1 3.4Å; L137-L285 HydrophobicContact CD2-CB 4.27Å; L137-L285 HydrophobicContact CD2-CD2 4.26Å; L137-L285 HydrophobicContact CG-CB 4.26Å; L137-L285 HydrophobicContact CG-CD2 4.16Å; L137-I287 HydrophobicContact CD2-CD1 3.76Å; L137-I287 HydrophobicContact CD2-CG1 3.8Å; L137-Y317 HydrophobicContact CD1-CE1 4.16Å
138L88.1Confident81.7Confident4 Ų444.5 Ų44.52%0.02124%0.243CC..Hα-helixtrans-57.8-45.4176179.957.8000111.4P134 L135 T141 T142 W240 L270 C283 L285P134-L138 WeakPolarHBondContact O-CB 3.45Å; P134-L138 PolarHBondContact O-N 3.39Å; L135-L138 PolarHBondContact O-N 3.32Å; L138-T141 PolarHBondContact O-N 3.36Å; L138-T142 HydrophobicContact CD1-CG2 3.94Å; L138-T142 HydrophobicContact CG-CG2 4.46Å; L138-T142 WeakPolarHBondContact O-CB 3.42Å; L138-T142 VanDerWaalsContact O-CG2 3.25Å; L138-T142 WeakPolarHBondContact O-CG2 3.31Å; L138-T142 PolarHBondContact O-N 3.47Å; L138-T142 PolarHBondContact O-OG1 2.99Å; L138-W240 HydrophobicContact CD2-CH2 3.62Å; L138-W240 HydrophobicContact CD2-CZ2 4.17Å; L138-W240 HydrophobicContact CG-CH2 4.48Å; L138-L270 HydrophobicContact CD1-CD1 3.78Å; L138-L270 HydrophobicContact CD2-CD1 3.86Å; L138-L270 HydrophobicContact CG-CD1 4.45Å; L138-C283 HydrophobicContact CD2-CB 4.28Å; L138-L285 HydrophobicContact CB-CB 3.91Å; L138-L285 HydrophobicContact CD1-CB 4.27Å; L138-L285 HydrophobicContact CD1-CD1 4.4Å
139K84.3Confident79.3Confident104 Ų10449.1 Ų49.145%0.45226%0.264SS..Hα-helixtrans-62-52.3177.6-177.7-171167.2-163.10111.3L135 G136 L137 T141 T142 E143L135-K139 VanDerWaalsContact O-CB 3.31Å; L135-K139 WeakPolarHBondContact O-CB 3.25Å; L135-K139 PolarHBondContact O-N 3.43Å; G136-K139 PolarHBondContact O-N 2.65Å; L137-K139 VanDerWaalsContact C-N 3.31Å; L137-K139 PolarHBondContact O-N 3.08Å; K139-T141 VanDerWaalsContact C-N 3.27Å; K139-T141 PolarHBondContact O-N 3.41Å; K139-T142 WeakPolarHBondContact CA-OG1 3.3Å; K139-T142 PolarHBondContact O-N 3.47Å; K139-T142 PolarHBondContact O-OG1 3.24Å; K139-E143 WeakPolarHBondContact CE-OE1 3.34Å; K139-E143 HydrophobicContact CG-CG 4.41Å; K139-E143 IonicContact NZ-OE1 2.93Å; K139-E143 WeakPolarHBondContact O-CB 3.36Å; K139-E143 VanDerWaalsContact O-CG 3.29Å; K139-E143 WeakPolarHBondContact O-CG 3.29Å; K139-E143 PolarHBondContact O-N 3.28Å
140N87.9Confident76.6Confident30 Ų3057.8 Ų57.816%0.1630%0.297CS..Hα-helixtrans-62.2-37.9-179.3-76.8-6000111.7N116 Q132 G136 L137 A144N116-N140 PolarHBondContact ND2-O 2.7Å; N116-N140 WeakPolarHBondContact OD1-CB 3.44Å; Q132-N140 PolarHBondContact OE1-ND2 3.22Å; G136-N140 WeakPolarHBondContact O-CB 3.46Å; G136-N140 PolarHBondContact O-N 3.42Å; L137-N140 PolarHBondContact O-N 2.91Å; N140-A144 VanDerWaalsContact O-CB 3.25Å; N140-A144 WeakPolarHBondContact O-CB 3.38Å; N140-A144 PolarHBondContact O-N 2.85Å
141T89.1Confident73.9Confident1 Ų160.3 Ų60.31%0.00631%0.314CS..Hα-helixtrans-67.1-48.6177-59.10000111.8L137 L138 K139 E143 A144 V145 I251 L285 Y317 L321L137-T141 WeakPolarHBondContact O-CB 3.41Å; L137-T141 PolarHBondContact O-N 3.12Å; L137-T141 PolarHBondContact O-OG1 3.4Å; L138-T141 PolarHBondContact O-N 3.36Å; K139-T141 VanDerWaalsContact C-N 3.27Å; K139-T141 PolarHBondContact O-N 3.41Å; T141-E143 VanDerWaalsContact C-N 3.33Å; T141-E143 PolarHBondContact O-N 3.23Å; T141-A144 PolarHBondContact O-N 2.89Å; T141-V145 WeakPolarHBondContact O-CB 3.44Å; T141-V145 WeakPolarHBondContact O-CG2 3.44Å; T141-V145 PolarHBondContact O-N 3.37Å; T141-I251 HydrophobicContact CG2-CD1 3.47Å; T141-I251 VanDerWaalsContact CG2-CD1 3.47Å; T141-L285 HydrophobicContact CG2-CD2 4.12Å; T141-Y317 WeakPolarHBondContact CB-OH 3.25Å; T141-Y317 WeakPolarHBondContact CG2-OH 3.34Å; T141-Y317 PolarHBondContact OG1-OH 2.76Å; T141-L321 HydrophobicContact CG2-CD2 3.77Å
142T83.6Confident71.2Confident27 Ų2753.9 Ų53.917%0.16629%0.293CS..Hα-helixtrans-64.2-39.4178.250.80000111.5L138 K139 S146 L247L138-T142 HydrophobicContact CD1-CG2 3.94Å; L138-T142 HydrophobicContact CG-CG2 4.46Å; L138-T142 WeakPolarHBondContact O-CB 3.42Å; L138-T142 VanDerWaalsContact O-CG2 3.25Å; L138-T142 WeakPolarHBondContact O-CG2 3.31Å; L138-T142 PolarHBondContact O-N 3.47Å; L138-T142 PolarHBondContact O-OG1 2.99Å; K139-T142 WeakPolarHBondContact CA-OG1 3.3Å; K139-T142 PolarHBondContact O-N 3.47Å; K139-T142 PolarHBondContact O-OG1 3.24Å; T142-S146 WeakPolarHBondContact O-CB 3.26Å; T142-S146 PolarHBondContact O-N 2.9Å; T142-S146 PolarHBondContact O-OG 3.31Å; T142-L247 HydrophobicContact CG2-CD2 3.85Å
143E80.6Confident68.5Low59 Ų5957.1 Ų57.128%0.27632%0.316SS..Hα-helixtrans-64.2-42.9173.7-72.5177.3172.300111.1Q113 K139 T141 V145Q113-E143 VanDerWaalsContact NE2-C 3.3Å; Q113-E143 PolarHBondContact NE2-O 3.01Å; K139-E143 WeakPolarHBondContact CE-OE1 3.34Å; K139-E143 HydrophobicContact CG-CG 4.41Å; K139-E143 IonicContact NZ-OE1 2.93Å; K139-E143 WeakPolarHBondContact O-CB 3.36Å; K139-E143 VanDerWaalsContact O-CG 3.29Å; K139-E143 WeakPolarHBondContact O-CG 3.29Å; K139-E143 PolarHBondContact O-N 3.28Å; T141-E143 VanDerWaalsContact C-N 3.33Å; T141-E143 PolarHBondContact O-N 3.23Å; E143-V145 VanDerWaalsContact C-N 3.34Å; E143-V145 PolarHBondContact O-N 3.36Å
144A82Confident65.7Low0 Ų063.3 Ų63.30%033%0.334CS..Hα-helixtrans-66.7-34.2-179.700000113.3N111 C118 Q119 N140 T141 S325N111-A144 PolarHBondContact ND2-O 3.26Å; C118-A144 HydrophobicContact CB-CB 3.88Å; Q119-A144 HydrophobicContact CG-CB 4.12Å; N140-A144 VanDerWaalsContact O-CB 3.25Å; N140-A144 WeakPolarHBondContact O-CB 3.38Å; N140-A144 PolarHBondContact O-N 2.85Å; T141-A144 PolarHBondContact O-N 2.89Å; A144-S325 VanDerWaalsContact O-CB 3.31Å; A144-S325 WeakPolarHBondContact O-CB 2.82Å
145V78.6Confident63.1Low22 Ų2263.1 Ų63.113%0.13333%0.333CS..Hα-helixtrans-83.5-35.3-179.8168.90000112.3T141 E143 C147 L247 L321 L324T141-V145 WeakPolarHBondContact O-CB 3.44Å; T141-V145 WeakPolarHBondContact O-CG2 3.44Å; T141-V145 PolarHBondContact O-N 3.37Å; E143-V145 VanDerWaalsContact C-N 3.34Å; E143-V145 PolarHBondContact O-N 3.36Å; V145-C147 PolarHBondContact O-N 3.08Å; V145-L247 HydrophobicContact CB-CD1 4.36Å; V145-L247 HydrophobicContact CB-CD2 4.46Å; V145-L247 HydrophobicContact CG1-CD1 3.76Å; V145-L247 HydrophobicContact CG1-CD2 4.41Å; V145-L247 HydrophobicContact CG2-CD1 4.19Å; V145-L321 HydrophobicContact CG2-CD2 4.29Å; V145-L324 HydrophobicContact CG1-CB 3.94Å; V145-L324 WeakPolarHBondContact CG1-O 3.18Å; V145-L324 HydrophobicContact CG2-CB 3.94Å
146S63.6Low60.7Low58 Ų5860.9 Ų60.941%0.40632%0.323SS..SBendtrans-71120.8-174-63.30000111.4N111 T142N111-S146 PolarHBondContact ND2-O 2.9Å; N111-S146 VanDerWaalsContact ND2-O 3.16Å; T142-S146 WeakPolarHBondContact O-CB 3.26Å; T142-S146 PolarHBondContact O-N 2.9Å; T142-S146 PolarHBondContact O-OG 3.31Å
147C48.8Very low58.4Low77 Ų7762.8 Ų62.852%0.5233%0.328SS..  trans-55144.7158.8-64.50000109.2V145 H149V145-C147 PolarHBondContact O-N 3.08Å; C147-H149 PolarHBondContact O-N 3.47Å
148S39.3Very low55.9Low56 Ų5666.7 Ų66.739%0.39236%0.356SS..SBendtrans-60.334.4-170.244.90000117.1R108 G109R108-S148 WeakPolarHBondContact O-CB 3.33Å; G109-S148 PolarHBondContact O-OG 2.86Å
149H34.2Very low53.6Low183 Ų18370 Ų7085%0.84737%0.37SS*.SBendtrans-91.21.5170.6-90.4-62.4000115.2C147C147-H149 PolarHBondContact O-N 3.47Å
150R34.6Very low51.9Low188 Ų18865 Ų6571%0.70935%0.348SS*.  trans-13648.7171.5-65.7-173.7-156-169.87.6113.5V152R150-V152 VanDerWaalsContact C-N 3.33Å; R150-V152 PolarHBondContact O-N 3.33Å
151S30.9Very low50Low63 Ų6370.2 Ų70.244%0.44137%0.369SS..  trans-69.689.5165-161.30000109.6C155S151-C155 VanDerWaalsContact O-CB 3.31Å; S151-C155 WeakPolarHBondContact O-CB 3.31Å
152V34Very low48.1Very low30 Ų3079.6 Ų79.618%0.18241%0.405CS..  trans-136.2-33.7-164.9173.80000116.2R150 A156 R214R150-V152 VanDerWaalsContact C-N 3.33Å; R150-V152 PolarHBondContact O-N 3.33Å; V152-A156 WeakPolarHBondContact O-CB 3Å; V152-A156 PolarHBondContact O-N 2.87Å; V152-R214 HydrophobicContact CG1-CB 4.4Å; V152-R214 VanDerWaalsContact CG1-CD 3.42Å; V152-R214 HydrophobicContact CG1-CG 3.3Å; V152-R214 VanDerWaalsContact CG1-NH2 3.27Å
153T32.1Very low46.6Very low104 Ų10483.5 Ų83.564%0.63842%0.42SS*.THydrogen-bonded Turntrans-85-23.1-169.428.40000114.3
154K32.4Very low45.8Very low199 Ų19982.2 Ų82.287%0.86541%0.414SS*.THydrogen-bonded Turntrans-100.9-25.3167.3-141174.5-173178.60112.6A156K154-A156 PolarHBondContact O-N 3.34Å
155C35.5Very low45.4Very low28 Ų2882.6 Ų82.619%0.18942%0.417CS..Hα-helixtrans-71.2-18173.5-157.30000112.1S151 L157 C158 F159S151-C155 VanDerWaalsContact O-CB 3.31Å; S151-C155 WeakPolarHBondContact O-CB 3.31Å; C155-L157 PolarHBondContact O-N 2.94Å; C155-C158 PolarHBondContact O-N 3.23Å; C155-F159 WeakPolarHBondContact O-CB 3.36Å; C155-F159 PolarHBondContact O-N 3Å
156A35.1Very low45.3Very low13 Ų1381.6 Ų81.611%0.10741%0.411CS..Hα-helixtrans-48-60-177.200000110.8V152 K154 C158 F159 F160V152-A156 WeakPolarHBondContact O-CB 3Å; V152-A156 PolarHBondContact O-N 2.87Å; K154-A156 PolarHBondContact O-N 3.34Å; A156-C158 PolarHBondContact O-N 3.48Å; A156-F159 PolarHBondContact O-N 2.8Å; A156-F160 VanDerWaalsContact C-CE2 3.44Å; A156-F160 HydrophobicContact CB-CD2 3.83Å; A156-F160 HydrophobicContact CB-CE2 3.22Å; A156-F160 HydrophobicContact CB-CZ 3.83Å; A156-F160 WeakPolarHBondContact O-CA 2.77Å; A156-F160 WeakPolarHBondContact O-CB 2.83Å; A156-F160 WeakPolarHBondContact O-CD2 3.29Å; A156-F160 WeakPolarHBondContact O-CG 3.4Å; A156-F160 PolarHBondContact O-N 2.88Å
157L40Very low46Very low60 Ų6082.3 Ų82.331%0.31441%0.413SS..Hα-helixtrans-63-40.6179.8-94.9144.8000115.1C155 K161 V169C155-L157 PolarHBondContact O-N 2.94Å; L157-K161 WeakPolarHBondContact O-CG 3.46Å; L157-K161 PolarHBondContact O-N 2.85Å; L157-K161 VanDerWaalsContact O-N 3.08Å; L157-V169 HydrophobicContact CD1-CG1 3.76Å; L157-V169 HydrophobicContact CD1-CG2 4.13Å; L157-V169 HydrophobicContact CD2-CG1 4.28Å; L157-V169 HydrophobicContact CG-CG1 4.21Å
158C40Very low47.2Very low95 Ų9580.8 Ų80.864%0.64240%0.4SS*.Hα-helixtrans-70.9-38.1178.9-77.90000112.8C155 A156 R162C155-C158 PolarHBondContact O-N 3.23Å; A156-C158 PolarHBondContact O-N 3.48Å; C158-R162 PolarHBondContact O-N 2.79Å
159F38.6Very low49Very low72 Ų7278.4 Ų78.432%0.31638%0.383SS..Hα-helixtrans-77-35.3175.9-161.6-85.9000111.3C155 A156 K161 R162 F163 F210C155-F159 WeakPolarHBondContact O-CB 3.36Å; C155-F159 PolarHBondContact O-N 3Å; A156-F159 PolarHBondContact O-N 2.8Å; F159-K161 VanDerWaalsContact C-N 3.34Å; F159-K161 PolarHBondContact O-N 2.66Å; F159-R162 PolarHBondContact O-N 3.39Å; F159-F163 HydrophobicContact CD1-CB 4.14Å; F159-F163 AromaticContact CD1-CD2 3.96Å; F159-F163 HydrophobicContact CD1-CD2 3.96Å; F159-F163 HydrophobicContact CD1-CG 4.41Å; F159-F163 AromaticContact CD2-CD2 3.92Å; F159-F163 HydrophobicContact CD2-CD2 3.92Å; F159-F163 HydrophobicContact CD2-CE2 4.21Å; F159-F163 HydrophobicContact CE1-CB 3.79Å; F159-F163 AromaticContact CE1-CD2 3.65Å; F159-F163 HydrophobicContact CE1-CD2 3.65Å; F159-F163 AromaticContact CE1-CG 3.88Å; F159-F163 HydrophobicContact CE1-CG 3.88Å; F159-F163 AromaticContact CE2-CD2 3.6Å; F159-F163 HydrophobicContact CE2-CD2 3.6Å; F159-F163 AromaticContact CE2-CE2 3.72Å; F159-F163 HydrophobicContact CE2-CE2 3.72Å; F159-F163 HydrophobicContact CE2-CG 4.5Å; F159-F163 HydrophobicContact CG-CD2 4.1Å; F159-F163 HydrophobicContact CZ-CB 4.35Å; F159-F163 AromaticContact CZ-CD2 3.46Å; F159-F163 HydrophobicContact CZ-CD2 3.46Å; F159-F163 VanDerWaalsContact CZ-CD2 3.46Å; F159-F163 AromaticContact CZ-CE2 3.91Å; F159-F163 HydrophobicContact CZ-CE2 3.91Å; F159-F163 AromaticContact CZ-CG 3.93Å; F159-F163 HydrophobicContact CZ-CG 3.93Å; F159-F163 PolarHBondContact O-N 3.21Å; F159-F210 HydrophobicContact CD1-CE1 4.49Å; F159-F210 AromaticContact CD1-CE2 3.98Å; F159-F210 HydrophobicContact CD1-CE2 3.98Å; F159-F210 AromaticContact CD1-CZ 3.48Å; F159-F210 HydrophobicContact CD1-CZ 3.48Å; F159-F210 VanDerWaalsContact CD1-CZ 3.48Å; F159-F210 AromaticContact CE1-CE2 3.75Å; F159-F210 HydrophobicContact CE1-CE2 3.75Å; F159-F210 AromaticContact CE1-CZ 3.76Å; F159-F210 HydrophobicContact CE1-CZ 3.76Å; F159-F210 HydrophobicContact CG-CZ 4.47Å
160F48.6Very low51.1Low1 Ų171.7 Ų71.70%0.00435%0.353CS..Iπ-helixtrans-61-42.5175-76.5-43.7000111.4A156 R162 H164 G165 F166 C194 F210 M211 L216A156-F160 VanDerWaalsContact C-CE2 3.44Å; A156-F160 HydrophobicContact CB-CD2 3.83Å; A156-F160 HydrophobicContact CB-CE2 3.22Å; A156-F160 HydrophobicContact CB-CZ 3.83Å; A156-F160 WeakPolarHBondContact O-CA 2.77Å; A156-F160 WeakPolarHBondContact O-CB 2.83Å; A156-F160 WeakPolarHBondContact O-CD2 3.29Å; A156-F160 WeakPolarHBondContact O-CG 3.4Å; A156-F160 PolarHBondContact O-N 2.88Å; F160-R162 VanDerWaalsContact C-N 3.25Å; F160-R162 PolarHBondContact O-N 3.34Å; F160-H164 PolarHBondContact O-N 3.37Å; F160-G165 PolarHBondContact O-N 2.93Å; F160-F166 HydrophobicContact CB-CB 3.67Å; F160-F166 HydrophobicContact CB-CD2 3.66Å; F160-F166 HydrophobicContact CB-CG 3.98Å; F160-F166 AromaticContact CD1-CD2 3.19Å; F160-F166 HydrophobicContact CD1-CD2 3.19Å; F160-F166 AromaticContact CD1-CE2 3.39Å; F160-F166 HydrophobicContact CD1-CE2 3.39Å; F160-F166 HydrophobicContact CD1-CG 4.01Å; F160-F166 HydrophobicContact CD1-CZ 4.32Å; F160-F166 HydrophobicContact CD2-CD2 4.45Å; F160-F166 AromaticContact CE1-CD2 3.93Å; F160-F166 HydrophobicContact CE1-CD2 3.93Å; F160-F166 AromaticContact CE1-CE2 3.68Å; F160-F166 HydrophobicContact CE1-CE2 3.68Å; F160-F166 HydrophobicContact CE1-CZ 4.26Å; F160-F166 HydrophobicContact CG-CB 4.1Å; F160-F166 AromaticContact CG-CD2 3.55Å; F160-F166 HydrophobicContact CG-CD2 3.55Å; F160-F166 HydrophobicContact CG-CE2 4.18Å; F160-F166 AromaticContact CG-CG 3.96Å; F160-F166 HydrophobicContact CG-CG 3.96Å; F160-F166 PolarHBondContact O-N 2.89Å; F160-F166 VanDerWaalsContact O-N 3.14Å; F160-C194 VanDerWaalsContact CE2-SG 3.54Å; F160-F210 HydrophobicContact CD1-CD1 4.46Å; F160-F210 AromaticContact CD1-CE1 3.85Å; F160-F210 HydrophobicContact CD1-CE1 3.85Å; F160-F210 AromaticContact CE1-CD1 3.8Å; F160-F210 HydrophobicContact CE1-CD1 3.8Å; F160-F210 AromaticContact CE1-CE1 3.41Å; F160-F210 HydrophobicContact CE1-CE1 3.41Å; F160-F210 VanDerWaalsContact CE1-CE1 3.41Å; F160-F210 HydrophobicContact CZ-CE1 4.2Å; F160-M211 HydrophobicContact CD1-SD 4.43Å; F160-M211 HydrophobicContact CE1-CG 4.49Å; F160-M211 HydrophobicContact CE1-SD 3.28Å; F160-M211 WeakPolarHBondContact CE1-SD 3.3Å; F160-M211 HydrophobicContact CE2-SD 4.34Å; F160-M211 HydrophobicContact CZ-CE 4.43Å; F160-M211 HydrophobicContact CZ-SD 3.28Å; F160-M211 WeakPolarHBondContact CZ-SD 3.36Å; F160-L216 HydrophobicContact CE2-CD1 3.97Å; F160-L216 HydrophobicContact CZ-CD1 3.6Å
161K48.6Very low53.1Low139 Ų13963.1 Ų63.160%0.60432%0.322SS*.Iπ-helixtrans-60.2-37172.5-81.5-175177.1-173.20111.9L157 F159 F166L157-K161 WeakPolarHBondContact O-CG 3.46Å; L157-K161 PolarHBondContact O-N 2.85Å; L157-K161 VanDerWaalsContact O-N 3.08Å; F159-K161 VanDerWaalsContact C-N 3.34Å; F159-K161 PolarHBondContact O-N 2.66Å; K161-F166 VanDerWaalsContact CA-O 3.31Å; K161-F166 WeakPolarHBondContact CA-O 3.35Å; K161-F166 VanDerWaalsContact CG-O 3.31Å; K161-F166 WeakPolarHBondContact CG-O 3.14Å; K161-F166 PolarHBondContact N-O 3.41Å
162R49.2Very low55.1Low198 Ų19864.5 Ų64.575%0.74732%0.324SS*.Iπ-helixtrans-86.6-37.3-169.5-153.1169.9-175.41540.5113.9C158 F159 F160C158-R162 PolarHBondContact O-N 2.79Å; F159-R162 PolarHBondContact O-N 3.39Å; F160-R162 VanDerWaalsContact C-N 3.25Å; F160-R162 PolarHBondContact O-N 3.34Å
163F52Low57.3Low109 Ų10968.5 Ų68.548%0.47834%0.342SS..Iπ-helixtrans-116-31.2-170.2-74.7-80.6000115F159F159-F163 HydrophobicContact CD1-CB 4.14Å; F159-F163 AromaticContact CD1-CD2 3.96Å; F159-F163 HydrophobicContact CD1-CD2 3.96Å; F159-F163 HydrophobicContact CD1-CG 4.41Å; F159-F163 AromaticContact CD2-CD2 3.92Å; F159-F163 HydrophobicContact CD2-CD2 3.92Å; F159-F163 HydrophobicContact CD2-CE2 4.21Å; F159-F163 HydrophobicContact CE1-CB 3.79Å; F159-F163 AromaticContact CE1-CD2 3.65Å; F159-F163 HydrophobicContact CE1-CD2 3.65Å; F159-F163 AromaticContact CE1-CG 3.88Å; F159-F163 HydrophobicContact CE1-CG 3.88Å; F159-F163 AromaticContact CE2-CD2 3.6Å; F159-F163 HydrophobicContact CE2-CD2 3.6Å; F159-F163 AromaticContact CE2-CE2 3.72Å; F159-F163 HydrophobicContact CE2-CE2 3.72Å; F159-F163 HydrophobicContact CE2-CG 4.5Å; F159-F163 HydrophobicContact CG-CD2 4.1Å; F159-F163 HydrophobicContact CZ-CB 4.35Å; F159-F163 AromaticContact CZ-CD2 3.46Å; F159-F163 HydrophobicContact CZ-CD2 3.46Å; F159-F163 VanDerWaalsContact CZ-CD2 3.46Å; F159-F163 AromaticContact CZ-CE2 3.91Å; F159-F163 HydrophobicContact CZ-CE2 3.91Å; F159-F163 AromaticContact CZ-CG 3.93Å; F159-F163 HydrophobicContact CZ-CG 3.93Å; F159-F163 PolarHBondContact O-N 3.21Å
164H63.3Low59.4Low32 Ų3266.2 Ų66.215%0.14832%0.324CS..Iπ-helixtrans-124.5-0.8-168.6-67.5-58.1000115.4F160 F166 T200 V207F160-H164 PolarHBondContact O-N 3.37Å; H164-F166 HydrophobicContact CB-CD2 4.21Å; H164-F166 HydrophobicContact CB-CE2 4.1Å; H164-T200 WeakPolarHBondContact O-CA 3.41Å; H164-T200 WeakPolarHBondContact O-CB 3.36Å; H164-T200 PolarHBondContact O-N 2.85Å; H164-T200 PolarHBondContact O-OG1 2.65Å; H164-V207 HydrophobicContact CB-CG2 3.76Å
165G73.2Confident61.6Low8 Ų864.6 Ų64.68%0.08233%0.325CS..  trans83.419.7169.300000115.5F160 T197 T200F160-G165 PolarHBondContact O-N 2.93Å; G165-T197 WeakPolarHBondContact O-CB 3.15Å; G165-T197 VanDerWaalsContact O-CG2 3.24Å; G165-T197 WeakPolarHBondContact O-CG2 3.35Å; G165-T197 PolarHBondContact O-N 2.72Å; G165-T197 PolarHBondContact O-OG1 3.22Å; G165-T200 PolarHBondContact O-OG1 3.17Å
166F77.6Confident63.4Low1 Ų164.8 Ų64.80%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-81.4139.2167.5-47.7-108.4000111.7F160 K161 H164 C194 V195 T200 V207 M211 F219F160-F166 HydrophobicContact CB-CB 3.67Å; F160-F166 HydrophobicContact CB-CD2 3.66Å; F160-F166 HydrophobicContact CB-CG 3.98Å; F160-F166 AromaticContact CD1-CD2 3.19Å; F160-F166 HydrophobicContact CD1-CD2 3.19Å; F160-F166 AromaticContact CD1-CE2 3.39Å; F160-F166 HydrophobicContact CD1-CE2 3.39Å; F160-F166 HydrophobicContact CD1-CG 4.01Å; F160-F166 HydrophobicContact CD1-CZ 4.32Å; F160-F166 HydrophobicContact CD2-CD2 4.45Å; F160-F166 AromaticContact CE1-CD2 3.93Å; F160-F166 HydrophobicContact CE1-CD2 3.93Å; F160-F166 AromaticContact CE1-CE2 3.68Å; F160-F166 HydrophobicContact CE1-CE2 3.68Å; F160-F166 HydrophobicContact CE1-CZ 4.26Å; F160-F166 HydrophobicContact CG-CB 4.1Å; F160-F166 AromaticContact CG-CD2 3.55Å; F160-F166 HydrophobicContact CG-CD2 3.55Å; F160-F166 HydrophobicContact CG-CE2 4.18Å; F160-F166 AromaticContact CG-CG 3.96Å; F160-F166 HydrophobicContact CG-CG 3.96Å; F160-F166 PolarHBondContact O-N 2.89Å; F160-F166 VanDerWaalsContact O-N 3.14Å; K161-F166 VanDerWaalsContact CA-O 3.31Å; K161-F166 WeakPolarHBondContact CA-O 3.35Å; K161-F166 VanDerWaalsContact CG-O 3.31Å; K161-F166 WeakPolarHBondContact CG-O 3.14Å; K161-F166 PolarHBondContact N-O 3.41Å; H164-F166 HydrophobicContact CB-CD2 4.21Å; H164-F166 HydrophobicContact CB-CE2 4.1Å; F166-C194 HydrophobicContact CD1-CB 3.45Å; F166-C194 VanDerWaalsContact CD1-CB 3.45Å; F166-C194 HydrophobicContact CE1-CB 3.71Å; F166-C194 HydrophobicContact CG-CB 4.27Å; F166-V195 WeakPolarHBondContact CA-O 3.5Å; F166-V195 WeakPolarHBondContact CB-O 3.18Å; F166-T200 HydrophobicContact CD1-CG2 4.21Å; F166-T200 HydrophobicContact CD2-CG2 3.99Å; F166-T200 HydrophobicContact CE1-CG2 3.77Å; F166-T200 HydrophobicContact CE2-CG2 3.53Å; F166-T200 HydrophobicContact CG-CG2 4.33Å; F166-T200 HydrophobicContact CZ-CG2 3.43Å; F166-T200 VanDerWaalsContact CZ-CG2 3.43Å; F166-V207 HydrophobicContact CE2-CG1 3.65Å; F166-V207 HydrophobicContact CZ-CG1 3.43Å; F166-V207 VanDerWaalsContact CZ-CG1 3.43Å; F166-M211 HydrophobicContact CE1-CE 4Å; F166-M211 HydrophobicContact CE1-SD 4.23Å; F166-M211 HydrophobicContact CE2-SD 4.15Å; F166-M211 HydrophobicContact CZ-CE 3.94Å; F166-M211 HydrophobicContact CZ-CG 3.97Å; F166-M211 HydrophobicContact CZ-SD 3.62Å; F166-F219 HydrophobicContact CE1-CB 3.99Å; F166-F219 AromaticContact CE1-CD2 3.63Å; F166-F219 HydrophobicContact CE1-CD2 3.63Å; F166-F219 HydrophobicContact CE1-CE2 4.29Å; F166-F219 AromaticContact CE1-CG 3.93Å; F166-F219 HydrophobicContact CE1-CG 3.93Å; F166-F219 AromaticContact CZ-CD2 4Å; F166-F219 HydrophobicContact CZ-CD2 4Å; F166-F219 HydrophobicContact CZ-CE2 4.24Å; F166-F219 HydrophobicContact CZ-CG 4.31Å
167T77.8Confident65.5Low72 Ų7268.8 Ų68.844%0.44235%0.353SS..EExtended strand (participates in β ladder)trans-110.8-31-17347.70000111.9V195 T197T167-V195 PolarHBondContact N-O 2.84Å; T167-V195 PolarHBondContact OG1-O 3.09Å; T167-T197 HydrophobicContact CG2-CG2 3.45Å; T167-T197 VanDerWaalsContact CG2-CG2 3.45Å
168N74.4Confident67.2Low46 Ų4671.1 Ų71.125%0.24637%0.374CS..EExtended strand (participates in β ladder)trans-150.2175.7-172.8-140.9-13.3000113.6N172 M173 V195N168-N172 WeakPolarHBondContact OD1-CB 3.4Å; N168-M173 HydrophobicContact CB-CG 4.1Å; N168-M173 HydrophobicContact CB-SD 4.22Å; N168-M173 WeakPolarHBondContact ND2-CG 3.24Å; N168-V195 PolarHBondContact N-O 2.82Å; N168-V195 PolarHBondContact O-N 3.36Å
169V77.3Confident68.7Low6 Ų669 Ų694%0.03637%0.369CS..EExtended strand (participates in β ladder)trans-120.4151.6162.9-77.10000108.7L157 S171 N172 I193L157-V169 HydrophobicContact CD1-CG1 3.76Å; L157-V169 HydrophobicContact CD1-CG2 4.13Å; L157-V169 HydrophobicContact CD2-CG1 4.28Å; L157-V169 HydrophobicContact CG-CG1 4.21Å; V169-S171 WeakPolarHBondContact CG2-OG 3.33Å; V169-S171 PolarHBondContact O-N 3.44Å; V169-S171 VanDerWaalsContact O-N 3.16Å; V169-N172 HydrophobicContact CG2-CB 4.15Å; V169-N172 WeakPolarHBondContact CG2-ND2 3.11Å; V169-N172 PolarHBondContact O-N 3.3Å; V169-I193 CarbonylContact C-O 3.6Å; V169-I193 VanDerWaalsContact CA-O 3.27Å; V169-I193 WeakPolarHBondContact CA-O 3.35Å
170I78.7Confident70.4Confident41 Ų4169 Ų6921%0.2137%0.374CS..G310 helixtrans-55.5-38.7-175.3-66.9-169.8000111.6N172 M173 F174 V190 I193 V195 F220I170-N172 PolarHBondContact O-N 2.77Å; I170-M173 PolarHBondContact O-N 2.96Å; I170-F174 HydrophobicContact CG2-CD1 4.28Å; I170-F174 HydrophobicContact CG2-CE1 4.06Å; I170-F174 WeakPolarHBondContact O-CD1 3.47Å; I170-F174 VanDerWaalsContact O-CE1 3.23Å; I170-F174 WeakPolarHBondContact O-CE1 3.4Å; I170-V190 HydrophobicContact CB-CB 4.31Å; I170-V190 HydrophobicContact CG2-CB 4.05Å; I170-V190 HydrophobicContact CG2-CG1 4.27Å; I170-I193 HydrophobicContact CB-CB 4.34Å; I170-I193 HydrophobicContact CD1-CB 3.75Å; I170-I193 HydrophobicContact CD1-CD1 4.13Å; I170-I193 HydrophobicContact CD1-CG2 3.37Å; I170-I193 HydrophobicContact CG1-CB 3.91Å; I170-I193 HydrophobicContact CG1-CG2 3.82Å; I170-I193 PolarHBondContact N-O 2.94Å; I170-V195 HydrophobicContact CG1-CG2 3.96Å; I170-F220 HydrophobicContact CD1-CD2 3.83Å; I170-F220 HydrophobicContact CD1-CE2 3.66Å
171S75.3Confident71.3Confident9 Ų972.1 Ų72.16%0.06339%0.388CS..G310 helixtrans-57.2-17.9177.765.60000115.6V169 K181 V190V169-S171 WeakPolarHBondContact CG2-OG 3.33Å; V169-S171 PolarHBondContact O-N 3.44Å; V169-S171 VanDerWaalsContact O-N 3.16Å; S171-K181 WeakPolarHBondContact O-CE 3.38Å; S171-K181 PolarHBondContact O-NZ 3.27Å; S171-V190 PolarHBondContact N-O 3.14Å
172N73.7Confident72.2Confident91 Ų9168.9 Ų68.949%0.48738%0.383SS..G310 helixtrans-107.74.4-178.5-66.4-3.2000112.2N168 V169 I170N168-N172 WeakPolarHBondContact OD1-CB 3.4Å; V169-N172 HydrophobicContact CG2-CB 4.15Å; V169-N172 WeakPolarHBondContact CG2-ND2 3.11Å; V169-N172 PolarHBondContact O-N 3.3Å; I170-N172 PolarHBondContact O-N 2.77Å
173M79.7Confident73.3Confident115 Ų11565.8 Ų65.857%0.56737%0.372SS*.SBendtrans-102.2-1.8179.5-66.9-172.967.500113N168 I170 V195N168-M173 HydrophobicContact CB-CG 4.1Å; N168-M173 HydrophobicContact CB-SD 4.22Å; N168-M173 WeakPolarHBondContact ND2-CG 3.24Å; I170-M173 PolarHBondContact O-N 2.96Å; M173-V195 HydrophobicContact SD-CB 4.01Å; M173-V195 HydrophobicContact SD-CG1 4.12Å; M173-V195 HydrophobicContact SD-CG2 3.55Å; M173-V195 VanDerWaalsContact SD-CG2 3.55Å
174F77.2Confident73.9Confident56 Ų5662.8 Ų62.825%0.24636%0.361CS..SBendtrans-139.3148.417766.9-93.1000110.4I170 A176 L184 V190I170-F174 HydrophobicContact CG2-CD1 4.28Å; I170-F174 HydrophobicContact CG2-CE1 4.06Å; I170-F174 WeakPolarHBondContact O-CD1 3.47Å; I170-F174 VanDerWaalsContact O-CE1 3.23Å; I170-F174 WeakPolarHBondContact O-CE1 3.4Å; F174-A176 HydrophobicContact CD2-CB 3.89Å; F174-A176 HydrophobicContact CE2-CB 3.85Å; F174-L184 HydrophobicContact CE2-CD1 3.73Å; F174-L184 HydrophobicContact CZ-CD1 3.71Å; F174-V190 HydrophobicContact CE1-CG2 4.25Å; F174-V190 HydrophobicContact CZ-CG2 4.13Å
175D77.4Confident74.2Confident165 Ų16562.8 Ų62.888%0.88236%0.364SS*.  trans-96.2135.4169.2-67.7-41.7000109.4
176A72.8Confident73.8Confident32 Ų3267.4 Ų67.426%0.26439%0.391SS..  trans-154.3151.117700000109.9F174 V180F174-A176 HydrophobicContact CD2-CB 3.89Å; F174-A176 HydrophobicContact CE2-CB 3.85Å; A176-V180 HydrophobicContact CB-CB 4.1Å; A176-V180 HydrophobicContact CB-CG1 4.01Å
177P79.6Confident73.5Confident96 Ų9672 Ų7262%0.62342%0.415SS*.  trans-51.8147169.2-25.634.4000111.6G179 V180 K181P177-G179 PolarHBondContact O-N 3.11Å; P177-G179 VanDerWaalsContact O-N 3.11Å; P177-V180 HydrophobicContact CB-CG2 4.41Å; P177-V180 HydrophobicContact CG-CG2 4.48Å; P177-V180 PolarHBondContact O-N 3.16Å; P177-K181 PolarHBondContact O-N 3.05Å
178S75.8Confident73Confident109 Ų10973.8 Ų73.876%0.76242%0.418SS*.Hα-helixtrans-52.8-38.7-173.855.60000113.4K181 S182S178-K181 PolarHBondContact O-N 3.2Å; S178-S182 VanDerWaalsContact O-CB 3.3Å; S178-S182 WeakPolarHBondContact O-CB 3.3Å; S178-S182 PolarHBondContact O-N 2.92Å
179G71.2Confident72.7Confident52 Ų5274.8 Ų74.854%0.53642%0.423SS..Hα-helixtrans-62.3-45.4175.700000113.2P177 S182 Y183P177-G179 PolarHBondContact O-N 3.11Å; P177-G179 VanDerWaalsContact O-N 3.11Å; G179-S182 PolarHBondContact O-N 3.29Å; G179-Y183 WeakPolarHBondContact O-CB 3.34Å; G179-Y183 PolarHBondContact O-N 3.19Å
180V74.4Confident72.4Confident70 Ų7075.1 Ų75.142%0.42443%0.425SS..Hα-helixtrans-66.9-42.2177.2179.50000110.5A176 P177 S182 Y183 L184A176-V180 HydrophobicContact CB-CB 4.1Å; A176-V180 HydrophobicContact CB-CG1 4.01Å; P177-V180 HydrophobicContact CB-CG2 4.41Å; P177-V180 HydrophobicContact CG-CG2 4.48Å; P177-V180 PolarHBondContact O-N 3.16Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.98Å; V180-Y183 PolarHBondContact O-N 2.69Å; V180-L184 HydrophobicContact CG1-CD1 4.02Å; V180-L184 HydrophobicContact CG1-CG 4.35Å; V180-L184 WeakPolarHBondContact O-CB 3.37Å; V180-L184 WeakPolarHBondContact O-CG 3.39Å; V180-L184 PolarHBondContact O-N 3.21Å
181K67.9Low72Confident68 Ų6875.8 Ų75.830%0.29643%0.433SS..Hα-helixtrans-62.8-41.3177.5-164.5165.3-172.9156.40111.5S171 P177 S178 C185S171-K181 WeakPolarHBondContact O-CE 3.38Å; S171-K181 PolarHBondContact O-NZ 3.27Å; P177-K181 PolarHBondContact O-N 3.05Å; S178-K181 PolarHBondContact O-N 3.2Å; K181-C185 WeakPolarHBondContact O-CB 3.36Å; K181-C185 PolarHBondContact O-N 3.48Å; K181-C185 PolarHBondContact O-SG 3.46Å
182S67.3Low71.8Confident71 Ų7181.3 Ų81.350%0.49745%0.453SS..Hα-helixtrans-63.2-46.9174.2-170.50000111.6S178 G179 V180 L184 C185 T186S178-S182 VanDerWaalsContact O-CB 3.3Å; S178-S182 WeakPolarHBondContact O-CB 3.3Å; S178-S182 PolarHBondContact O-N 2.92Å; G179-S182 PolarHBondContact O-N 3.29Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 2.98Å; S182-L184 PolarHBondContact O-N 3.42Å; S182-C185 PolarHBondContact O-N 3.43Å; S182-T186 WeakPolarHBondContact O-CB 3.32Å; S182-T186 PolarHBondContact O-N 3.47Å; S182-T186 PolarHBondContact O-OG1 3.47Å
183Y72.4Confident72Confident133 Ų13378.4 Ų78.452%0.52244%0.437SS..Hα-helixtrans-57.5-50.2176.6177.7-96.3000111.9G179 V180 C185 T186 L187G179-Y183 WeakPolarHBondContact O-CB 3.34Å; G179-Y183 PolarHBondContact O-N 3.19Å; V180-Y183 PolarHBondContact O-N 2.69Å; Y183-C185 PolarHBondContact O-N 2.72Å; Y183-T186 PolarHBondContact O-N 3.12Å; Y183-L187 HydrophobicContact CE1-CB 4.47Å; Y183-L187 HydrophobicContact CE1-CD2 4.17Å; Y183-L187 HydrophobicContact CE2-CD1 4.17Å; Y183-L187 WeakPolarHBondContact O-CB 3.33Å; Y183-L187 PolarHBondContact O-N 3.05Å
184L65.7Low72.2Confident45 Ų4573.1 Ų73.124%0.23641%0.412CS..Hα-helixtrans-65.6-38.3179.3-68.3174.6000112.6F174 V180 S182 T186 H188 N189 V190F174-L184 HydrophobicContact CE2-CD1 3.73Å; F174-L184 HydrophobicContact CZ-CD1 3.71Å; V180-L184 HydrophobicContact CG1-CD1 4.02Å; V180-L184 HydrophobicContact CG1-CG 4.35Å; V180-L184 WeakPolarHBondContact O-CB 3.37Å; V180-L184 WeakPolarHBondContact O-CG 3.39Å; V180-L184 PolarHBondContact O-N 3.21Å; S182-L184 PolarHBondContact O-N 3.42Å; L184-T186 VanDerWaalsContact C-N 3.28Å; L184-T186 PolarHBondContact O-N 2.93Å; L184-H188 WeakPolarHBondContact O-CA 3.31Å; L184-H188 WeakPolarHBondContact O-CB 3.22Å; L184-H188 PolarHBondContact O-N 2.89Å; L184-N189 PolarHBondContact O-N 3.33Å; L184-V190 HydrophobicContact CB-CG1 4.47Å; L184-V190 HydrophobicContact CB-CG2 3.96Å
185C67.9Low72.5Confident32 Ų3271.7 Ų71.722%0.21641%0.407CS..Hα-helixtrans-65.6-34.2175.2-70.90000111.8K181 S182 Y183 N189K181-C185 WeakPolarHBondContact O-CB 3.36Å; K181-C185 PolarHBondContact O-N 3.48Å; K181-C185 PolarHBondContact O-SG 3.46Å; S182-C185 PolarHBondContact O-N 3.43Å; Y183-C185 PolarHBondContact O-N 2.72Å; C185-N189 VanDerWaalsContact O-CA 3.3Å; C185-N189 WeakPolarHBondContact O-CA 3.36Å; C185-N189 PolarHBondContact O-N 2.92Å
186T66.5Low72.9Confident106 Ų10664 Ų6465%0.6537%0.368SS*.Hα-helixtrans-79.6-50.2-178.9-53.50000111.7S182 Y183 L184S182-T186 WeakPolarHBondContact O-CB 3.32Å; S182-T186 PolarHBondContact O-N 3.47Å; S182-T186 PolarHBondContact O-OG1 3.47Å; Y183-T186 PolarHBondContact O-N 3.12Å; L184-T186 VanDerWaalsContact C-N 3.28Å; L184-T186 PolarHBondContact O-N 2.93Å
187L70.2Confident73.6Confident97 Ų9764.8 Ų64.851%0.50837%0.369SS..Hα-helixtrans-77.7-38.7-173.9-155.197.1000112.6Y183Y183-L187 HydrophobicContact CE1-CB 4.47Å; Y183-L187 HydrophobicContact CE1-CD2 4.17Å; Y183-L187 HydrophobicContact CE2-CD1 4.17Å; Y183-L187 WeakPolarHBondContact O-CB 3.33Å; Y183-L187 PolarHBondContact O-N 3.05Å
188H67.9Low74Confident109 Ų10964.3 Ų64.351%0.50536%0.359SS..Hα-helixtrans-116.91.9-170.5-65.9-63.3000113.9L184 V190L184-H188 WeakPolarHBondContact O-CA 3.31Å; L184-H188 WeakPolarHBondContact O-CB 3.22Å; L184-H188 PolarHBondContact O-N 2.89Å; H188-V190 HydrophobicContact CB-CG1 3.9Å; H188-V190 PolarHBondContact O-N 3.42Å
189N67.8Low74.5Confident68 Ų6864.5 Ų64.536%0.36435%0.347SS..  trans50.734.3-179.9-80.8-46.4000113.3L184 C185 S191 R192L184-N189 PolarHBondContact O-N 3.33Å; C185-N189 VanDerWaalsContact O-CA 3.3Å; C185-N189 WeakPolarHBondContact O-CA 3.36Å; C185-N189 PolarHBondContact O-N 2.92Å; N189-S191 PolarHBondContact O-N 3.03Å; N189-R192 HydrophobicContact CB-CB 4.46Å; N189-R192 WeakPolarHBondContact O-CA 3.39Å; N189-R192 WeakPolarHBondContact O-CB 3.36Å; N189-R192 PolarHBondContact O-N 3.02Å
190V71.2Confident75.1Confident13 Ų1362 Ų628%0.07932%0.321CS..G310 helixtrans-60.3-20.9-175.6-63.40000113.8I170 S171 F174 L184 H188 R192 I193I170-V190 HydrophobicContact CB-CB 4.31Å; I170-V190 HydrophobicContact CG2-CB 4.05Å; I170-V190 HydrophobicContact CG2-CG1 4.27Å; S171-V190 PolarHBondContact N-O 3.14Å; F174-V190 HydrophobicContact CE1-CG2 4.25Å; F174-V190 HydrophobicContact CZ-CG2 4.13Å; L184-V190 HydrophobicContact CB-CG1 4.47Å; L184-V190 HydrophobicContact CB-CG2 3.96Å; H188-V190 HydrophobicContact CB-CG1 3.9Å; H188-V190 PolarHBondContact O-N 3.42Å; V190-R192 PolarHBondContact O-N 3.01Å; V190-I193 PolarHBondContact O-N 2.9Å
191S70.8Confident75.7Confident54 Ų5460.5 Ų60.538%0.37831%0.309SS..G310 helixtrans-71.9-14.5172.757.70000113.7N189N189-S191 PolarHBondContact O-N 3.03Å
192R70.7Confident76.7Confident125 Ų12565.7 Ų65.747%0.47233%0.332SS..G310 helixtrans-106.22.5178-63.2-174.3172.4171.81.2113.1N189 V190 L216N189-R192 HydrophobicContact CB-CB 4.46Å; N189-R192 WeakPolarHBondContact O-CA 3.39Å; N189-R192 WeakPolarHBondContact O-CB 3.36Å; N189-R192 PolarHBondContact O-N 3.02Å; V190-R192 PolarHBondContact O-N 3.01Å; R192-L216 HydrophobicContact CB-CD2 3.98Å; R192-L216 VanDerWaalsContact O-CD2 3.3Å; R192-L216 WeakPolarHBondContact O-CD2 3.23Å
193I78.7Confident77.5Confident31 Ų3164.1 Ų64.116%0.15932%0.321CS..  trans-97.8108.2177.3-54.3175.3000109V169 I170 V190 V218 F220V169-I193 CarbonylContact C-O 3.6Å; V169-I193 VanDerWaalsContact CA-O 3.27Å; V169-I193 WeakPolarHBondContact CA-O 3.35Å; I170-I193 HydrophobicContact CB-CB 4.34Å; I170-I193 HydrophobicContact CD1-CB 3.75Å; I170-I193 HydrophobicContact CD1-CD1 4.13Å; I170-I193 HydrophobicContact CD1-CG2 3.37Å; I170-I193 HydrophobicContact CG1-CB 3.91Å; I170-I193 HydrophobicContact CG1-CG2 3.82Å; I170-I193 PolarHBondContact N-O 2.94Å; V190-I193 PolarHBondContact O-N 2.9Å; I193-V218 HydrophobicContact CG2-CG1 4.5Å; I193-F220 HydrophobicContact CG2-CD2 3.6Å; I193-F220 HydrophobicContact CG2-CE2 3.69Å
194C82.2Confident78.1Confident4 Ų459.8 Ų59.83%0.02731%0.306CS..EExtended strand (participates in β ladder)trans-83150.5-179-580000112F160 F166 M211 F219 F220F160-C194 VanDerWaalsContact CE2-SG 3.54Å; F166-C194 HydrophobicContact CD1-CB 3.45Å; F166-C194 VanDerWaalsContact CD1-CB 3.45Å; F166-C194 HydrophobicContact CE1-CB 3.71Å; F166-C194 HydrophobicContact CG-CB 4.27Å; C194-M211 HydrophobicContact CB-CE 3.99Å; C194-F219 HydrophobicContact CB-CB 4.33Å; C194-F219 WeakPolarHBondContact O-CA 3.49Å; C194-F219 WeakPolarHBondContact O-CB 3.31Å; C194-F220 PolarHBondContact O-N 2.72Å
195V84.1Confident78.7Confident25 Ų2562.8 Ų62.815%0.15233%0.331CS..EExtended strand (participates in β ladder)trans-119.4112.7176.7-176.30000110F166 T167 N168 I170 M173F166-V195 WeakPolarHBondContact CA-O 3.5Å; F166-V195 WeakPolarHBondContact CB-O 3.18Å; T167-V195 PolarHBondContact N-O 2.84Å; T167-V195 PolarHBondContact OG1-O 3.09Å; N168-V195 PolarHBondContact N-O 2.82Å; N168-V195 PolarHBondContact O-N 3.36Å; I170-V195 HydrophobicContact CG1-CG2 3.96Å; M173-V195 HydrophobicContact SD-CB 4.01Å; M173-V195 HydrophobicContact SD-CG1 4.12Å; M173-V195 HydrophobicContact SD-CG2 3.55Å; M173-V195 VanDerWaalsContact SD-CG2 3.55Å
196G85Confident79.1Confident5 Ų563.7 Ų63.75%0.05234%0.341CS..EExtended strand (participates in β ladder)trans-88155-179.200000113.1T200 F220 P222G196-T200 WeakPolarHBondContact CA-OG1 3.3Å; G196-F220 WeakPolarHBondContact CA-O 3.45Å; G196-F220 PolarHBondContact N-O 3.12Å; G196-P222 WeakPolarHBondContact O-CD 3.23Å
197T88.3Confident79.6Confident48 Ų4858.7 Ų58.729%0.29431%0.31SS..  trans-88.8177.3165.459.20000111.7G165 T167 K199 T200 E201G165-T197 WeakPolarHBondContact O-CB 3.15Å; G165-T197 VanDerWaalsContact O-CG2 3.24Å; G165-T197 WeakPolarHBondContact O-CG2 3.35Å; G165-T197 PolarHBondContact O-N 2.72Å; G165-T197 PolarHBondContact O-OG1 3.22Å; T167-T197 HydrophobicContact CG2-CG2 3.45Å; T167-T197 VanDerWaalsContact CG2-CG2 3.45Å; T197-K199 PolarHBondContact O-N 3.33Å; T197-K199 VanDerWaalsContact O-N 3.09Å; T197-K199 PolarHBondContact OG1-N 2.97Å; T197-T200 PolarHBondContact N-OG1 2.73Å; T197-T200 WeakPolarHBondContact O-CA 3.36Å; T197-T200 WeakPolarHBondContact O-CB 3.43Å; T197-T200 PolarHBondContact O-N 3.1Å; T197-T200 PolarHBondContact O-OG1 2.9Å; T197-E201 PolarHBondContact O-N 3.43Å
198M89Confident79.9Confident85 Ų8555.6 Ų55.642%0.41930%0.295SS..Hα-helixtrans-53.5-26.1169.2-67-57.9-62.600113.5T200 E201 K202 P222 N223M198-T200 VanDerWaalsContact C-N 3.35Å; M198-E201 PolarHBondContact O-N 3.09Å; M198-K202 VanDerWaalsContact O-CG 3.32Å; M198-K202 WeakPolarHBondContact O-CG 3.45Å; M198-K202 PolarHBondContact O-N 3.31Å; M198-P222 HydrophobicContact CG-CG 4.05Å; M198-P222 HydrophobicContact SD-CB 3.82Å; M198-P222 HydrophobicContact SD-CG 3.76Å; M198-N223 PolarHBondContact SD-ND2 2.92Å; M198-N223 VanDerWaalsContact SD-ND2 3.45Å
199K85.9Confident79.9Confident114 Ų11453.5 Ų53.550%0.49629%0.291SS..Hα-helixtrans-65.1-40.5174.2-177.3179177.1179.90111.6T197 E201 K202 S203T197-K199 PolarHBondContact O-N 3.33Å; T197-K199 VanDerWaalsContact O-N 3.09Å; T197-K199 PolarHBondContact OG1-N 2.97Å; K199-E201 VanDerWaalsContact C-N 3.35Å; K199-K202 PolarHBondContact O-N 3.32Å; K199-S203 WeakPolarHBondContact O-CB 3.49Å; K199-S203 PolarHBondContact O-N 3.32Å; K199-S203 PolarHBondContact O-OG 2.9Å
200T84.2Confident79.9Confident0 Ų051.6 Ų51.60%028%0.28CS..Hα-helixtrans-61.4-46.1174.6-340000110.5H164 G165 F166 G196 T197 M198 K202 S203 L204 V207 F219 T221H164-T200 WeakPolarHBondContact O-CA 3.41Å; H164-T200 WeakPolarHBondContact O-CB 3.36Å; H164-T200 PolarHBondContact O-N 2.85Å; H164-T200 PolarHBondContact O-OG1 2.65Å; G165-T200 PolarHBondContact O-OG1 3.17Å; F166-T200 HydrophobicContact CD1-CG2 4.21Å; F166-T200 HydrophobicContact CD2-CG2 3.99Å; F166-T200 HydrophobicContact CE1-CG2 3.77Å; F166-T200 HydrophobicContact CE2-CG2 3.53Å; F166-T200 HydrophobicContact CG-CG2 4.33Å; F166-T200 HydrophobicContact CZ-CG2 3.43Å; F166-T200 VanDerWaalsContact CZ-CG2 3.43Å; G196-T200 WeakPolarHBondContact CA-OG1 3.3Å; T197-T200 PolarHBondContact N-OG1 2.73Å; T197-T200 WeakPolarHBondContact O-CA 3.36Å; T197-T200 WeakPolarHBondContact O-CB 3.43Å; T197-T200 PolarHBondContact O-N 3.1Å; T197-T200 PolarHBondContact O-OG1 2.9Å; M198-T200 VanDerWaalsContact C-N 3.35Å; T200-K202 PolarHBondContact O-N 2.65Å; T200-S203 CarbonylContact O-C 3.53Å; T200-S203 PolarHBondContact O-N 2.91Å; T200-L204 PolarHBondContact O-N 3.45Å; T200-V207 HydrophobicContact CG2-CB 4.46Å; T200-V207 HydrophobicContact CG2-CG1 3.83Å; T200-V207 HydrophobicContact CG2-CG2 4.07Å; T200-F219 HydrophobicContact CG2-CE2 4.34Å; T200-T221 HydrophobicContact CG2-CG2 4.3Å
201E86.2Confident79.8Confident37 Ų3751 Ų5117%0.17328%0.276CS..Hα-helixtrans-63.5-40.6179.8-161.8169.6129.100112.2T197 M198 K199 S203 L204 T221 N223 L224T197-E201 PolarHBondContact O-N 3.43Å; M198-E201 PolarHBondContact O-N 3.09Å; K199-E201 VanDerWaalsContact C-N 3.35Å; E201-S203 PolarHBondContact O-N 2.98Å; E201-L204 HydrophobicContact CG-CD1 4.48Å; E201-L204 WeakPolarHBondContact O-CD1 3.49Å; E201-L204 VanDerWaalsContact O-CG 3.26Å; E201-L204 WeakPolarHBondContact O-CG 3.13Å; E201-T221 HydrophobicContact CB-CG2 4.1Å; E201-T221 HydrophobicContact CG-CG2 4.49Å; E201-T221 VanDerWaalsContact OE2-CB 3.29Å; E201-T221 WeakPolarHBondContact OE2-CB 3.2Å; E201-T221 PolarHBondContact OE2-OG1 3.26Å; E201-N223 WeakPolarHBondContact OE1-CB 3.46Å; E201-N223 PolarHBondContact OE1-ND2 2.81Å; E201-N223 PolarHBondContact OE2-N 2.86Å; E201-N223 PolarHBondContact OE2-ND2 3.43Å; E201-L224 HydrophobicContact CG-CD1 3.86Å; E201-L224 HydrophobicContact CG-CG 4.41Å
202K88.4Confident79.6Confident178 Ų17848.9 Ų48.977%0.77426%0.262SS*.Hα-helixtrans-67.2-18.6173.2-71.7177.4-179.7-173.90113.6M198 K199 T200M198-K202 VanDerWaalsContact O-CG 3.32Å; M198-K202 WeakPolarHBondContact O-CG 3.45Å; M198-K202 PolarHBondContact O-N 3.31Å; K199-K202 PolarHBondContact O-N 3.32Å; T200-K202 PolarHBondContact O-N 2.65Å
203S85.5Confident79Confident37 Ų3749.9 Ų49.926%0.25927%0.272SS..THydrogen-bonded Turntrans-114.422-173.7-48.90000113K199 T200 E201 S205 A206 V207K199-S203 WeakPolarHBondContact O-CB 3.49Å; K199-S203 PolarHBondContact O-N 3.32Å; K199-S203 PolarHBondContact O-OG 2.9Å; T200-S203 CarbonylContact O-C 3.53Å; T200-S203 PolarHBondContact O-N 2.91Å; E201-S203 PolarHBondContact O-N 2.98Å; S203-S205 PolarHBondContact O-N 2.86Å; S203-S205 VanDerWaalsContact O-N 3.14Å; S203-A206 PolarHBondContact O-N 2.87Å; S203-V207 VanDerWaalsContact O-CG2 3.3Å; S203-V207 WeakPolarHBondContact O-CG2 3.21Å; S203-V207 PolarHBondContact O-N 3.42Å
204L83.8Confident78.2Confident42 Ų4250.5 Ų50.522%0.2227%0.272CS..Hα-helixtrans-55.3-34.7-174.1-74.9171.5000113.9T200 E201 A206 V207 V208 F219 L224 V226T200-L204 PolarHBondContact O-N 3.45Å; E201-L204 HydrophobicContact CG-CD1 4.48Å; E201-L204 WeakPolarHBondContact O-CD1 3.49Å; E201-L204 VanDerWaalsContact O-CG 3.26Å; E201-L204 WeakPolarHBondContact O-CG 3.13Å; L204-A206 VanDerWaalsContact C-N 3.26Å; L204-A206 PolarHBondContact O-N 3.27Å; L204-V207 PolarHBondContact O-N 3.11Å; L204-V208 HydrophobicContact CB-CG2 4.38Å; L204-V208 HydrophobicContact CD2-CG2 4.18Å; L204-V208 VanDerWaalsContact O-CB 3.32Å; L204-V208 WeakPolarHBondContact O-CB 3.32Å; L204-V208 VanDerWaalsContact O-CG2 3.3Å; L204-V208 WeakPolarHBondContact O-CG2 3.34Å; L204-V208 PolarHBondContact O-N 2.82Å; L204-F219 HydrophobicContact CD2-CE2 3.74Å; L204-F219 HydrophobicContact CD2-CZ 3.66Å; L204-L224 HydrophobicContact CD1-CD1 3.75Å; L204-V226 HydrophobicContact CD2-CG2 3.79Å
205S78.4Confident77.3Confident109 Ų10952.8 Ų52.876%0.76230%0.297SS*.Hα-helixtrans-59-34176.854.20000113.5S203 P209S203-S205 PolarHBondContact O-N 2.86Å; S203-S205 VanDerWaalsContact O-N 3.14Å; S205-P209 WeakPolarHBondContact O-CD 3.26Å; S205-P209 WeakPolarHBondContact O-CG 3.16Å
206A76.3Confident76.6Confident51 Ų5152.5 Ų52.542%0.42129%0.294SS..Hα-helixtrans-89.6-36.1174.600000112S203 L204 F210S203-A206 PolarHBondContact O-N 2.87Å; L204-A206 VanDerWaalsContact C-N 3.26Å; L204-A206 PolarHBondContact O-N 3.27Å; A206-F210 VanDerWaalsContact O-CB 3.31Å; A206-F210 WeakPolarHBondContact O-CB 3.44Å; A206-F210 PolarHBondContact O-N 3.36Å
207V77.1Confident75.8Confident0 Ų054.9 Ų54.90%031%0.31CS..Hα-helixtrans-73.1-43-174.4172.40000112.4H164 F166 T200 S203 L204 F210 M211 F219H164-V207 HydrophobicContact CB-CG2 3.76Å; F166-V207 HydrophobicContact CE2-CG1 3.65Å; F166-V207 HydrophobicContact CZ-CG1 3.43Å; F166-V207 VanDerWaalsContact CZ-CG1 3.43Å; T200-V207 HydrophobicContact CG2-CB 4.46Å; T200-V207 HydrophobicContact CG2-CG1 3.83Å; T200-V207 HydrophobicContact CG2-CG2 4.07Å; S203-V207 VanDerWaalsContact O-CG2 3.3Å; S203-V207 WeakPolarHBondContact O-CG2 3.21Å; S203-V207 PolarHBondContact O-N 3.42Å; L204-V207 PolarHBondContact O-N 3.11Å; V207-F210 CarbonylContact O-C 3.56Å; V207-F210 WeakPolarHBondContact O-CB 2.87Å; V207-F210 PolarHBondContact O-N 3.03Å; V207-M211 HydrophobicContact CG1-CG 3.79Å; V207-M211 WeakPolarHBondContact O-CB 3.46Å; V207-M211 WeakPolarHBondContact O-CG 3.08Å; V207-M211 PolarHBondContact O-N 3.06Å; V207-F219 HydrophobicContact CG1-CE1 4.46Å; V207-F219 HydrophobicContact CG1-CE2 4.1Å; V207-F219 HydrophobicContact CG1-CZ 3.83Å
208V77.2Confident75.4Confident33 Ų3354.4 Ų54.420%0.231%0.307CS..Hα-helixtrans-61.9-50-175.6169.60000111.8L204 F210 M211 C212 F219 V226 T228L204-V208 HydrophobicContact CB-CG2 4.38Å; L204-V208 HydrophobicContact CD2-CG2 4.18Å; L204-V208 VanDerWaalsContact O-CB 3.32Å; L204-V208 WeakPolarHBondContact O-CB 3.32Å; L204-V208 VanDerWaalsContact O-CG2 3.3Å; L204-V208 WeakPolarHBondContact O-CG2 3.34Å; L204-V208 PolarHBondContact O-N 2.82Å; V208-F210 VanDerWaalsContact C-N 3.28Å; V208-F210 PolarHBondContact O-N 2.89Å; V208-M211 PolarHBondContact O-N 3.29Å; V208-C212 WeakPolarHBondContact O-CB 3.27Å; V208-C212 PolarHBondContact O-N 2.86Å; V208-C212 PolarHBondContact O-SG 2.89Å; V208-F219 HydrophobicContact CG2-CE1 4.18Å; V208-F219 HydrophobicContact CG2-CZ 3.92Å; V208-V226 HydrophobicContact CG2-CG1 3.85Å; V208-T228 HydrophobicContact CG1-CG2 3.41Å; V208-T228 VanDerWaalsContact CG1-CG2 3.41Å
209P66.6Low75.2Confident65 Ų6550.4 Ų50.442%0.42229%0.287SS..Hα-helixtrans-59.3-40.4173.9-23.634.3000112.5S205 C212 Q213S205-P209 WeakPolarHBondContact O-CD 3.26Å; S205-P209 WeakPolarHBondContact O-CG 3.16Å; P209-C212 PolarHBondContact O-N 2.95Å; P209-Q213 VanDerWaalsContact O-CG 3.28Å; P209-Q213 WeakPolarHBondContact O-CG 3.4Å; P209-Q213 PolarHBondContact O-N 2.73Å
210F67.6Low75.2Confident27 Ų2748.4 Ų48.412%0.11828%0.279CS..Hα-helixtrans-63.7-40.6178.8-179-86.2000112.6F159 F160 A206 V207 V208 R214F159-F210 HydrophobicContact CD1-CE1 4.49Å; F159-F210 AromaticContact CD1-CE2 3.98Å; F159-F210 HydrophobicContact CD1-CE2 3.98Å; F159-F210 AromaticContact CD1-CZ 3.48Å; F159-F210 HydrophobicContact CD1-CZ 3.48Å; F159-F210 VanDerWaalsContact CD1-CZ 3.48Å; F159-F210 AromaticContact CE1-CE2 3.75Å; F159-F210 HydrophobicContact CE1-CE2 3.75Å; F159-F210 AromaticContact CE1-CZ 3.76Å; F159-F210 HydrophobicContact CE1-CZ 3.76Å; F159-F210 HydrophobicContact CG-CZ 4.47Å; F160-F210 HydrophobicContact CD1-CD1 4.46Å; F160-F210 AromaticContact CD1-CE1 3.85Å; F160-F210 HydrophobicContact CD1-CE1 3.85Å; F160-F210 AromaticContact CE1-CD1 3.8Å; F160-F210 HydrophobicContact CE1-CD1 3.8Å; F160-F210 AromaticContact CE1-CE1 3.41Å; F160-F210 HydrophobicContact CE1-CE1 3.41Å; F160-F210 VanDerWaalsContact CE1-CE1 3.41Å; F160-F210 HydrophobicContact CZ-CE1 4.2Å; A206-F210 VanDerWaalsContact O-CB 3.31Å; A206-F210 WeakPolarHBondContact O-CB 3.44Å; A206-F210 PolarHBondContact O-N 3.36Å; V207-F210 CarbonylContact O-C 3.56Å; V207-F210 WeakPolarHBondContact O-CB 2.87Å; V207-F210 PolarHBondContact O-N 3.03Å; V208-F210 VanDerWaalsContact C-N 3.28Å; V208-F210 PolarHBondContact O-N 2.89Å; F210-R214 VanDerWaalsContact CZ-NE 3.34Å; F210-R214 WeakPolarHBondContact O-CD 3.37Å; F210-R214 VanDerWaalsContact O-CG 3.26Å; F210-R214 WeakPolarHBondContact O-CG 3.12Å; F210-R214 PolarHBondContact O-NH1 3.06Å
211M70.5Confident75.3Confident0 Ų048.9 Ų48.90%028%0.282CS..Hα-helixtrans-68.6-41.3175.4-71.9-69.7-79.900111.3F160 F166 C194 V207 V208 Q213 R214 G215 L216 F219F160-M211 HydrophobicContact CD1-SD 4.43Å; F160-M211 HydrophobicContact CE1-CG 4.49Å; F160-M211 HydrophobicContact CE1-SD 3.28Å; F160-M211 WeakPolarHBondContact CE1-SD 3.3Å; F160-M211 HydrophobicContact CE2-SD 4.34Å; F160-M211 HydrophobicContact CZ-CE 4.43Å; F160-M211 HydrophobicContact CZ-SD 3.28Å; F160-M211 WeakPolarHBondContact CZ-SD 3.36Å; F166-M211 HydrophobicContact CE1-CE 4Å; F166-M211 HydrophobicContact CE1-SD 4.23Å; F166-M211 HydrophobicContact CE2-SD 4.15Å; F166-M211 HydrophobicContact CZ-CE 3.94Å; F166-M211 HydrophobicContact CZ-CG 3.97Å; F166-M211 HydrophobicContact CZ-SD 3.62Å; C194-M211 HydrophobicContact CB-CE 3.99Å; V207-M211 HydrophobicContact CG1-CG 3.79Å; V207-M211 WeakPolarHBondContact O-CB 3.46Å; V207-M211 WeakPolarHBondContact O-CG 3.08Å; V207-M211 PolarHBondContact O-N 3.06Å; V208-M211 PolarHBondContact O-N 3.29Å; M211-Q213 PolarHBondContact O-N 2.91Å; M211-R214 WeakPolarHBondContact O-CA 3.11Å; M211-R214 WeakPolarHBondContact O-CB 3.47Å; M211-R214 PolarHBondContact O-N 3.3Å; M211-G215 PolarHBondContact O-N 3.04Å; M211-L216 HydrophobicContact CB-CB 4.4Å; M211-L216 HydrophobicContact CE-CB 3.6Å; M211-L216 HydrophobicContact CE-CD1 3.86Å; M211-L216 HydrophobicContact CE-CG 4.39Å; M211-L216 PolarHBondContact O-N 3.1Å; M211-L216 VanDerWaalsContact O-N 3.11Å; M211-L216 HydrophobicContact SD-CB 4.17Å; M211-L216 HydrophobicContact SD-CD1 3.75Å; M211-F219 HydrophobicContact CB-CD1 4.33Å; M211-F219 HydrophobicContact CB-CE1 4.2Å; M211-F219 HydrophobicContact CE-CB 3.5Å; M211-F219 VanDerWaalsContact CE-CB 3.5Å; M211-F219 HydrophobicContact CE-CD1 3.51Å; M211-F219 HydrophobicContact CE-CE1 4.37Å; M211-F219 HydrophobicContact CE-CG 3.67Å; M211-F219 HydrophobicContact CG-CD1 3.98Å; M211-F219 HydrophobicContact CG-CE1 3.91Å
212C65.7Low75.2Confident11 Ų1150.8 Ų50.87%0.07430%0.297CS..Hα-helixtrans-62.6-44.6178.7-73.10000112.8V208 P209 R214 G215 T228 L233V208-C212 WeakPolarHBondContact O-CB 3.27Å; V208-C212 PolarHBondContact O-N 2.86Å; V208-C212 PolarHBondContact O-SG 2.89Å; P209-C212 PolarHBondContact O-N 2.95Å; C212-R214 PolarHBondContact O-N 3.17Å; C212-G215 PolarHBondContact O-N 3.37Å; C212-T228 WeakPolarHBondContact SG-CB 3.43Å; C212-T228 WeakPolarHBondContact SG-CG2 3.25Å; C212-T228 PolarHBondContact SG-OG1 3.32Å; C212-L233 HydrophobicContact CB-CD2 3.8Å; C212-L233 HydrophobicContact CB-CG 4.29Å; C212-L233 WeakPolarHBondContact O-CD2 3.43Å
213Q58.5Low75.2Confident146 Ų14647.5 Ų47.568%0.68229%0.288SS*.THydrogen-bonded Turntrans-57.8-14.3175.4-72.7170.3500113.4P209 M211P209-Q213 VanDerWaalsContact O-CG 3.28Å; P209-Q213 WeakPolarHBondContact O-CG 3.4Å; P209-Q213 PolarHBondContact O-N 2.73Å; M211-Q213 PolarHBondContact O-N 2.91Å
214R62.5Low75.3Confident43 Ų4349.3 Ų49.316%0.16229%0.294CS..THydrogen-bonded Turntrans-106.42.4-177.7-62.4177.2167.448.717113.6V152 F210 M211 C212 L216V152-R214 HydrophobicContact CG1-CB 4.4Å; V152-R214 VanDerWaalsContact CG1-CD 3.42Å; V152-R214 HydrophobicContact CG1-CG 3.3Å; V152-R214 VanDerWaalsContact CG1-NH2 3.27Å; F210-R214 VanDerWaalsContact CZ-NE 3.34Å; F210-R214 WeakPolarHBondContact O-CD 3.37Å; F210-R214 VanDerWaalsContact O-CG 3.26Å; F210-R214 WeakPolarHBondContact O-CG 3.12Å; F210-R214 PolarHBondContact O-NH1 3.06Å; M211-R214 WeakPolarHBondContact O-CA 3.11Å; M211-R214 WeakPolarHBondContact O-CB 3.47Å; M211-R214 PolarHBondContact O-N 3.3Å; C212-R214 PolarHBondContact O-N 3.17Å; R214-L216 HydrophobicContact CB-CD1 4.01Å; R214-L216 HydrophobicContact CB-CG 4.02Å; R214-L216 PolarHBondContact O-N 3.39Å
215G63.6Low75.5Confident53 Ų5354.2 Ų54.255%0.54631%0.314SS..THydrogen-bonded Turntrans69.519.8-175.300000113.8M211 C212 S217M211-G215 PolarHBondContact O-N 3.04Å; C212-G215 PolarHBondContact O-N 3.37Å; G215-S217 PolarHBondContact O-N 2.85Å
216L69.4Low75.6Confident18 Ų1850 Ų509%0.09428%0.284CS..  trans-97.389178.6-55.6172.2000108.3F160 R192 M211 R214 V218F160-L216 HydrophobicContact CE2-CD1 3.97Å; F160-L216 HydrophobicContact CZ-CD1 3.6Å; R192-L216 HydrophobicContact CB-CD2 3.98Å; R192-L216 VanDerWaalsContact O-CD2 3.3Å; R192-L216 WeakPolarHBondContact O-CD2 3.23Å; M211-L216 HydrophobicContact CB-CB 4.4Å; M211-L216 HydrophobicContact CE-CB 3.6Å; M211-L216 HydrophobicContact CE-CD1 3.86Å; M211-L216 HydrophobicContact CE-CG 4.39Å; M211-L216 PolarHBondContact O-N 3.1Å; M211-L216 VanDerWaalsContact O-N 3.11Å; M211-L216 HydrophobicContact SD-CB 4.17Å; M211-L216 HydrophobicContact SD-CD1 3.75Å; R214-L216 HydrophobicContact CB-CD1 4.01Å; R214-L216 HydrophobicContact CB-CG 4.02Å; R214-L216 PolarHBondContact O-N 3.39Å; L216-V218 VanDerWaalsContact C-N 3.35Å
217S67.6Low75.6Confident56 Ų5650.8 Ų50.839%0.39229%0.29SS..  trans-77.1-21.6-174.155.10000113.5G215 A227 T228G215-S217 PolarHBondContact O-N 2.85Å; S217-A227 WeakPolarHBondContact O-CA 3.41Å; S217-T228 PolarHBondContact O-N 2.75Å
218V79Confident74.9Confident38 Ų3852 Ų5223%0.2330%0.297CS..EExtended strand (participates in β ladder)trans-131.9130.8-176.2-176.10000110.6I193 L216 F220 K225 V226 A227I193-V218 HydrophobicContact CG2-CG1 4.5Å; L216-V218 VanDerWaalsContact C-N 3.35Å; V218-F220 HydrophobicContact CG1-CE2 4.39Å; V218-K225 HydrophobicContact CG1-CG 4.4Å; V218-V226 WeakPolarHBondContact CA-O 3.28Å; V218-A227 HydrophobicContact CG2-CB 4.46Å
219F84.5Confident74Confident0 Ų054.5 Ų54.50%032%0.316CS..EExtended strand (participates in β ladder)trans-147161.9167.764.6-86.8000111.5F166 C194 T200 L204 V207 V208 M211 T221 V226F166-F219 HydrophobicContact CE1-CB 3.99Å; F166-F219 AromaticContact CE1-CD2 3.63Å; F166-F219 HydrophobicContact CE1-CD2 3.63Å; F166-F219 HydrophobicContact CE1-CE2 4.29Å; F166-F219 AromaticContact CE1-CG 3.93Å; F166-F219 HydrophobicContact CE1-CG 3.93Å; F166-F219 AromaticContact CZ-CD2 4Å; F166-F219 HydrophobicContact CZ-CD2 4Å; F166-F219 HydrophobicContact CZ-CE2 4.24Å; F166-F219 HydrophobicContact CZ-CG 4.31Å; C194-F219 HydrophobicContact CB-CB 4.33Å; C194-F219 WeakPolarHBondContact O-CA 3.49Å; C194-F219 WeakPolarHBondContact O-CB 3.31Å; T200-F219 HydrophobicContact CG2-CE2 4.34Å; L204-F219 HydrophobicContact CD2-CE2 3.74Å; L204-F219 HydrophobicContact CD2-CZ 3.66Å; V207-F219 HydrophobicContact CG1-CE1 4.46Å; V207-F219 HydrophobicContact CG1-CE2 4.1Å; V207-F219 HydrophobicContact CG1-CZ 3.83Å; V208-F219 HydrophobicContact CG2-CE1 4.18Å; V208-F219 HydrophobicContact CG2-CZ 3.92Å; M211-F219 HydrophobicContact CB-CD1 4.33Å; M211-F219 HydrophobicContact CB-CE1 4.2Å; M211-F219 HydrophobicContact CE-CB 3.5Å; M211-F219 VanDerWaalsContact CE-CB 3.5Å; M211-F219 HydrophobicContact CE-CD1 3.51Å; M211-F219 HydrophobicContact CE-CE1 4.37Å; M211-F219 HydrophobicContact CE-CG 3.67Å; M211-F219 HydrophobicContact CG-CD1 3.98Å; M211-F219 HydrophobicContact CG-CE1 3.91Å; F219-T221 HydrophobicContact CD2-CG2 4.19Å; F219-T221 HydrophobicContact CE2-CG2 3.96Å; F219-V226 HydrophobicContact CD1-CB 4Å; F219-V226 HydrophobicContact CD1-CG1 4.26Å; F219-V226 HydrophobicContact CD2-CB 4.07Å; F219-V226 HydrophobicContact CD2-CG2 4.22Å; F219-V226 HydrophobicContact CE1-CB 3.62Å; F219-V226 HydrophobicContact CE1-CG1 3.47Å; F219-V226 VanDerWaalsContact CE1-CG1 3.47Å; F219-V226 HydrophobicContact CE1-CG2 4.41Å; F219-V226 HydrophobicContact CE2-CB 3.69Å; F219-V226 HydrophobicContact CE2-CG1 4.18Å; F219-V226 HydrophobicContact CE2-CG2 3.63Å; F219-V226 HydrophobicContact CG-CB 4.23Å; F219-V226 HydrophobicContact CZ-CB 3.46Å; F219-V226 VanDerWaalsContact CZ-CB 3.46Å; F219-V226 HydrophobicContact CZ-CG1 3.44Å; F219-V226 VanDerWaalsContact CZ-CG1 3.44Å; F219-V226 HydrophobicContact CZ-CG2 3.75Å; F219-V226 PolarHBondContact N-O 3.08Å; F219-V226 PolarHBondContact O-N 3.47Å
220F85.9Confident73.3Confident73 Ų7355.5 Ų55.532%0.3232%0.321SS..EExtended strand (participates in β ladder)trans-109.9143.2178.4-69.5-91.8000110.2I170 I193 C194 G196 V218 L224 K225I170-F220 HydrophobicContact CD1-CD2 3.83Å; I170-F220 HydrophobicContact CD1-CE2 3.66Å; I193-F220 HydrophobicContact CG2-CD2 3.6Å; I193-F220 HydrophobicContact CG2-CE2 3.69Å; C194-F220 PolarHBondContact O-N 2.72Å; G196-F220 WeakPolarHBondContact CA-O 3.45Å; G196-F220 PolarHBondContact N-O 3.12Å; V218-F220 HydrophobicContact CG1-CE2 4.39Å; F220-L224 CarbonylContact C-O 3.59Å; F220-L224 WeakPolarHBondContact CA-O 3.31Å; F220-K225 HydrophobicContact CD1-CB 4.07Å; F220-K225 HydrophobicContact CD1-CG 4.33Å; F220-K225 HydrophobicContact CE1-CB 3.78Å; F220-K225 HydrophobicContact CE1-CD 4.09Å; F220-K225 HydrophobicContact CE1-CG 3.78Å; F220-K225 HydrophobicContact CZ-CD 4.12Å; F220-K225 HydrophobicContact CZ-CG 4Å
221T86.5Confident72.7Confident10 Ų1057.4 Ų57.46%0.06134%0.338CS..  trans-115.8175.6159.370.30000107.6T200 E201 F219 N223 L224T200-T221 HydrophobicContact CG2-CG2 4.3Å; E201-T221 HydrophobicContact CB-CG2 4.1Å; E201-T221 HydrophobicContact CG-CG2 4.49Å; E201-T221 VanDerWaalsContact OE2-CB 3.29Å; E201-T221 WeakPolarHBondContact OE2-CB 3.2Å; E201-T221 PolarHBondContact OE2-OG1 3.26Å; F219-T221 HydrophobicContact CD2-CG2 4.19Å; F219-T221 HydrophobicContact CE2-CG2 3.96Å; T221-N223 PolarHBondContact O-N 3.03Å; T221-N223 VanDerWaalsContact O-N 3.12Å; T221-L224 PolarHBondContact N-O 3.03Å; T221-L224 WeakPolarHBondContact OG1-CB 3.49Å; T221-L224 PolarHBondContact OG1-N 2.58Å; T221-L224 VanDerWaalsContact OG1-N 3.17Å; T221-L224 PolarHBondContact OG1-O 3.22Å
222P85.3Confident72.2Confident77 Ų7762.6 Ų62.650%0.537%0.366SS..SBendtrans-55.3-32.6-178.2-28.238.8000113.6G196 M198G196-P222 WeakPolarHBondContact O-CD 3.23Å; M198-P222 HydrophobicContact CG-CG 4.05Å; M198-P222 HydrophobicContact SD-CB 3.82Å; M198-P222 HydrophobicContact SD-CG 3.76Å
223N88.1Confident71.7Confident108 Ų10863.6 Ų63.658%0.57837%0.37SS*.SBendtrans-114.1-15.5-177.4-50.4-53.7000114.8M198 E201 T221M198-N223 PolarHBondContact SD-ND2 2.92Å; M198-N223 VanDerWaalsContact SD-ND2 3.45Å; E201-N223 WeakPolarHBondContact OE1-CB 3.46Å; E201-N223 PolarHBondContact OE1-ND2 2.81Å; E201-N223 PolarHBondContact OE2-N 2.86Å; E201-N223 PolarHBondContact OE2-ND2 3.43Å; T221-N223 PolarHBondContact O-N 3.03Å; T221-N223 VanDerWaalsContact O-N 3.12Å
224L87.1Confident71.9Confident75 Ų7558.9 Ų58.939%0.39335%0.349SS..  trans-125.9135.3-170.4-56.7174000111.9E201 L204 F220 T221 V226E201-L224 HydrophobicContact CG-CD1 3.86Å; E201-L224 HydrophobicContact CG-CG 4.41Å; L204-L224 HydrophobicContact CD1-CD1 3.75Å; F220-L224 CarbonylContact C-O 3.59Å; F220-L224 WeakPolarHBondContact CA-O 3.31Å; T221-L224 PolarHBondContact N-O 3.03Å; T221-L224 WeakPolarHBondContact OG1-CB 3.49Å; T221-L224 PolarHBondContact OG1-N 2.58Å; T221-L224 VanDerWaalsContact OG1-N 3.17Å; T221-L224 PolarHBondContact OG1-O 3.22Å; L224-V226 HydrophobicContact CB-CG2 4.02Å
225K87.3Confident72.1Confident146 Ų14661.2 Ų61.264%0.63537%0.369SS*.EExtended strand (participates in β ladder)trans-88.3109.7154.7179.2-176.4174.8-175.70107.2V218 F220V218-K225 HydrophobicContact CG1-CG 4.4Å; F220-K225 HydrophobicContact CD1-CB 4.07Å; F220-K225 HydrophobicContact CD1-CG 4.33Å; F220-K225 HydrophobicContact CE1-CB 3.78Å; F220-K225 HydrophobicContact CE1-CD 4.09Å; F220-K225 HydrophobicContact CE1-CG 3.78Å; F220-K225 HydrophobicContact CZ-CD 4.12Å; F220-K225 HydrophobicContact CZ-CG 4Å
226V81.7Confident71.9Confident21 Ų2160.5 Ų60.513%0.12736%0.357CS..EExtended strand (participates in β ladder)trans-95113.8178.6-173.50000108.2L204 V208 V218 F219 L224L204-V226 HydrophobicContact CD2-CG2 3.79Å; V208-V226 HydrophobicContact CG2-CG1 3.85Å; V218-V226 WeakPolarHBondContact CA-O 3.28Å; F219-V226 HydrophobicContact CD1-CB 4Å; F219-V226 HydrophobicContact CD1-CG1 4.26Å; F219-V226 HydrophobicContact CD2-CB 4.07Å; F219-V226 HydrophobicContact CD2-CG2 4.22Å; F219-V226 HydrophobicContact CE1-CB 3.62Å; F219-V226 HydrophobicContact CE1-CG1 3.47Å; F219-V226 VanDerWaalsContact CE1-CG1 3.47Å; F219-V226 HydrophobicContact CE1-CG2 4.41Å; F219-V226 HydrophobicContact CE2-CB 3.69Å; F219-V226 HydrophobicContact CE2-CG1 4.18Å; F219-V226 HydrophobicContact CE2-CG2 3.63Å; F219-V226 HydrophobicContact CG-CB 4.23Å; F219-V226 HydrophobicContact CZ-CB 3.46Å; F219-V226 VanDerWaalsContact CZ-CB 3.46Å; F219-V226 HydrophobicContact CZ-CG1 3.44Å; F219-V226 VanDerWaalsContact CZ-CG1 3.44Å; F219-V226 HydrophobicContact CZ-CG2 3.75Å; F219-V226 PolarHBondContact N-O 3.08Å; F219-V226 PolarHBondContact O-N 3.47Å; L224-V226 HydrophobicContact CB-CG2 4.02Å
227A75.7Confident71.8Confident66 Ų6661.1 Ų61.155%0.54536%0.359SS..EExtended strand (participates in β ladder)trans-114.9121.4170.600000107.6S217 V218S217-A227 WeakPolarHBondContact O-CA 3.41Å; V218-A227 HydrophobicContact CG2-CB 4.46Å
228T63.4Low72Confident26 Ų2663.5 Ų63.516%0.1636%0.362CS..  trans-83.9133.1-178.1-30.60000110.3V208 C212 S217 T230V208-T228 HydrophobicContact CG1-CG2 3.41Å; V208-T228 VanDerWaalsContact CG1-CG2 3.41Å; C212-T228 WeakPolarHBondContact SG-CB 3.43Å; C212-T228 WeakPolarHBondContact SG-CG2 3.25Å; C212-T228 PolarHBondContact SG-OG1 3.32Å; S217-T228 PolarHBondContact O-N 2.75Å; T228-T230 PolarHBondContact O-N 3.12Å
229S56.7Low71.7Confident86 Ų8667.6 Ų67.660%0.60138%0.379SS*.  trans-55.6134.5173.2-175.80000110.4S231S229-S231 PolarHBondContact O-N 3.16Å
230T53.8Low71.2Confident85 Ų8571 Ų7152%0.52139%0.392SS..Hα-helixtrans-60.9-19.2-168.2-30.40000113.5T228 N232 L233 L234T228-T230 PolarHBondContact O-N 3.12Å; T230-N232 PolarHBondContact O-N 3.27Å; T230-L233 PolarHBondContact O-N 2.61Å; T230-L233 VanDerWaalsContact O-N 3.15Å; T230-L234 HydrophobicContact CG2-CD1 3.98Å; T230-L234 HydrophobicContact CG2-CD2 4.46Å; T230-L234 HydrophobicContact CG2-CG 3.94Å; T230-L234 WeakPolarHBondContact O-CG 3.45Å; T230-L234 PolarHBondContact O-N 2.85Å
231S54.5Low70.8Confident67 Ų6768.5 Ų68.547%0.46938%0.382SS..Hα-helixtrans-59.4-43.9-17357.80000114.5S229 T235S229-S231 PolarHBondContact O-N 3.16Å; S231-T235 PolarHBondContact O-N 3.12Å; S231-T235 PolarHBondContact O-OG1 2.74Å
232N58.8Low70.5Confident110 Ų11070.4 Ų70.459%0.58840%0.395SS*.Hα-helixtrans-73.2-31.9178.2-73.4-15.6000112.1T230 A236T230-N232 PolarHBondContact O-N 3.27Å; N232-A236 WeakPolarHBondContact O-CB 3.48Å; N232-A236 PolarHBondContact O-N 2.94Å; N232-A236 VanDerWaalsContact O-N 3.08Å
233L55.6Low70.2Confident31 Ų3171.2 Ų71.216%0.16239%0.392CS..Hα-helixtrans-72.1-42.3178.4-77171.3000112C212 T230 T235 A236 K237C212-L233 HydrophobicContact CB-CD2 3.8Å; C212-L233 HydrophobicContact CB-CG 4.29Å; C212-L233 WeakPolarHBondContact O-CD2 3.43Å; T230-L233 PolarHBondContact O-N 2.61Å; T230-L233 VanDerWaalsContact O-N 3.15Å; L233-T235 VanDerWaalsContact C-N 3.29Å; L233-T235 PolarHBondContact O-N 3Å; L233-A236 PolarHBondContact O-N 3.37Å; L233-K237 WeakPolarHBondContact O-CB 3.32Å; L233-K237 PolarHBondContact O-N 3.06Å
234L63.8Low69.9Low48 Ų4866.3 Ų66.325%0.25137%0.367SS..Hα-helixtrans-60.9-41.8175.6-71167000110.7T230 K237 K238T230-L234 HydrophobicContact CG2-CD1 3.98Å; T230-L234 HydrophobicContact CG2-CD2 4.46Å; T230-L234 HydrophobicContact CG2-CG 3.94Å; T230-L234 WeakPolarHBondContact O-CG 3.45Å; T230-L234 PolarHBondContact O-N 2.85Å; L234-K237 PolarHBondContact O-N 2.83Å; L234-K238 WeakPolarHBondContact O-CB 3.37Å; L234-K238 VanDerWaalsContact O-CG 3.28Å; L234-K238 WeakPolarHBondContact O-CG 3.45Å; L234-K238 PolarHBondContact O-N 2.79Å
235T65.5Low70Confident92 Ų9267.3 Ų67.356%0.56437%0.368SS*.Hα-helixtrans-63.2-48.5176.6-54.60000111.6S231 L233 K237 K238 Q239S231-T235 PolarHBondContact O-N 3.12Å; S231-T235 PolarHBondContact O-OG1 2.74Å; L233-T235 VanDerWaalsContact C-N 3.29Å; L233-T235 PolarHBondContact O-N 3Å; T235-K237 VanDerWaalsContact C-N 3.34Å; T235-K237 PolarHBondContact O-N 2.87Å; T235-K238 PolarHBondContact O-N 3.34Å; T235-Q239 WeakPolarHBondContact O-CB 3.42Å; T235-Q239 PolarHBondContact O-N 2.75Å
236A60.9Low70.1Confident37 Ų3765.4 Ų65.431%0.30636%0.36SS..Hα-helixtrans-63.1-38.7176.700000112.5N232 L233 Q239 W240N232-A236 WeakPolarHBondContact O-CB 3.48Å; N232-A236 PolarHBondContact O-N 2.94Å; N232-A236 VanDerWaalsContact O-N 3.08Å; L233-A236 PolarHBondContact O-N 3.37Å; A236-Q239 PolarHBondContact O-N 3.19Å; A236-W240 WeakPolarHBondContact O-CB 3.4Å; A236-W240 PolarHBondContact O-N 3.37Å
237K65.8Low70.3Confident32 Ų3265.8 Ų65.814%0.13936%0.361CS..Hα-helixtrans-62.9-49.3174.7179.6-175.3170.1-1690110.7L233 L234 T235 Q239 W240 I241 E276 A278L233-K237 WeakPolarHBondContact O-CB 3.32Å; L233-K237 PolarHBondContact O-N 3.06Å; L234-K237 PolarHBondContact O-N 2.83Å; T235-K237 VanDerWaalsContact C-N 3.34Å; T235-K237 PolarHBondContact O-N 2.87Å; K237-Q239 VanDerWaalsContact C-N 3.32Å; K237-Q239 PolarHBondContact O-N 2.78Å; K237-W240 PolarHBondContact O-N 2.77Å; K237-I241 HydrophobicContact CD-CD1 4.42Å; K237-I241 HydrophobicContact CG-CD1 3.83Å; K237-I241 HydrophobicContact CG-CG1 4.42Å; K237-I241 WeakPolarHBondContact O-CB 3.32Å; K237-I241 VanDerWaalsContact O-CG1 3.31Å; K237-I241 WeakPolarHBondContact O-CG1 3.46Å; K237-I241 PolarHBondContact O-N 2.92Å; K237-E276 PolarHBondContact NZ-O 2.82Å; K237-A278 PolarHBondContact NZ-O 3.05Å
238K72.2Confident71.1Confident105 Ų10562.8 Ų62.846%0.45734%0.336SS..Hα-helixtrans-58.2-44.8177.2-75.2-176.8-173-158.40111.2L234 T235 I241 S242 E276L234-K238 WeakPolarHBondContact O-CB 3.37Å; L234-K238 VanDerWaalsContact O-CG 3.28Å; L234-K238 WeakPolarHBondContact O-CG 3.45Å; L234-K238 PolarHBondContact O-N 2.79Å; T235-K238 PolarHBondContact O-N 3.34Å; K238-I241 PolarHBondContact O-N 3.33Å; K238-S242 WeakPolarHBondContact O-CB 3.44Å; K238-S242 PolarHBondContact O-N 3.42Å; K238-E276 WeakPolarHBondContact CE-OE1 3.02Å; K238-E276 WeakPolarHBondContact CE-OE2 3.21Å; K238-E276 IonicContact NZ-OE1 2.75Å; K238-E276 PolarHBondContact NZ-OE1 2.82Å; K238-E276 IonicContact NZ-OE2 2.68Å; K238-E276 PolarHBondContact NZ-OE2 2.78Å
239Q71.9Confident72.6Confident124 Ų12467.7 Ų67.758%0.57936%0.357SS*.Hα-helixtrans-62.3-47.6175.8-172.6-179.98.300111.8T235 A236 K237 I241 S242 E243T235-Q239 WeakPolarHBondContact O-CB 3.42Å; T235-Q239 PolarHBondContact O-N 2.75Å; A236-Q239 PolarHBondContact O-N 3.19Å; K237-Q239 VanDerWaalsContact C-N 3.32Å; K237-Q239 PolarHBondContact O-N 2.78Å; Q239-I241 PolarHBondContact O-N 2.85Å; Q239-S242 WeakPolarHBondContact O-CB 3.46Å; Q239-S242 PolarHBondContact O-N 2.88Å; Q239-E243 WeakPolarHBondContact O-CG 3.47Å; Q239-E243 PolarHBondContact O-N 3.45Å
240W75.6Confident74.3Confident72 Ų7266.1 Ų66.127%0.27335%0.346SS..Hα-helixtrans-61.9-42.6178.3177.387.1000112.3L138 A236 K237 S242 E243 A244 I280 C283L138-W240 HydrophobicContact CD2-CH2 3.62Å; L138-W240 HydrophobicContact CD2-CZ2 4.17Å; L138-W240 HydrophobicContact CG-CH2 4.48Å; A236-W240 WeakPolarHBondContact O-CB 3.4Å; A236-W240 PolarHBondContact O-N 3.37Å; K237-W240 PolarHBondContact O-N 2.77Å; W240-S242 VanDerWaalsContact C-N 3.32Å; W240-S242 PolarHBondContact O-N 2.92Å; W240-E243 PolarHBondContact O-N 2.82Å; W240-A244 WeakPolarHBondContact O-CB 3.36Å; W240-A244 PolarHBondContact O-N 3.47Å; W240-I280 HydrophobicContact CD2-CD1 3.78Å; W240-I280 HydrophobicContact CE3-CD1 3.3Å; W240-I280 HydrophobicContact CE3-CG1 3.84Å; W240-I280 HydrophobicContact CH2-CD1 3.97Å; W240-I280 HydrophobicContact CH2-CG1 3.91Å; W240-I280 HydrophobicContact CZ2-CD1 4.41Å; W240-I280 HydrophobicContact CZ3-CD1 3.42Å; W240-I280 VanDerWaalsContact CZ3-CD1 3.42Å; W240-I280 HydrophobicContact CZ3-CG1 3.41Å; W240-I280 VanDerWaalsContact CZ3-CG1 3.41Å; W240-C283 HydrophobicContact CH2-CB 4.32Å; W240-C283 HydrophobicContact CZ3-CB 4.18Å
241I76.6Confident76.2Confident21 Ų2162.1 Ų62.111%0.10832%0.322CS..Hα-helixtrans-61.1-42.4175.7-70.1170.8000110.5K237 K238 Q239 E243 A244 K245 V272K237-I241 HydrophobicContact CD-CD1 4.42Å; K237-I241 HydrophobicContact CG-CD1 3.83Å; K237-I241 HydrophobicContact CG-CG1 4.42Å; K237-I241 WeakPolarHBondContact O-CB 3.32Å; K237-I241 VanDerWaalsContact O-CG1 3.31Å; K237-I241 WeakPolarHBondContact O-CG1 3.46Å; K237-I241 PolarHBondContact O-N 2.92Å; K238-I241 PolarHBondContact O-N 3.33Å; Q239-I241 PolarHBondContact O-N 2.85Å; I241-E243 PolarHBondContact O-N 3.17Å; I241-A244 PolarHBondContact O-N 3.42Å; I241-K245 HydrophobicContact CG2-CD 4.22Å; I241-K245 HydrophobicContact CG2-CG 4.35Å; I241-K245 WeakPolarHBondContact O-CB 3.07Å; I241-K245 WeakPolarHBondContact O-CG 3.43Å; I241-K245 PolarHBondContact O-N 3.42Å; I241-V272 HydrophobicContact CD1-CG1 4.02Å; I241-V272 HydrophobicContact CG2-CG1 3.96Å; I241-V272 HydrophobicContact CG2-CG2 4.01Å
242S80.3Confident78.2Confident49 Ų4960.1 Ų60.134%0.34331%0.308SS..Hα-helixtrans-58.3-46.2175.51680000111.8K238 Q239 W240 K245 K246K238-S242 WeakPolarHBondContact O-CB 3.44Å; K238-S242 PolarHBondContact O-N 3.42Å; Q239-S242 WeakPolarHBondContact O-CB 3.46Å; Q239-S242 PolarHBondContact O-N 2.88Å; W240-S242 VanDerWaalsContact C-N 3.32Å; W240-S242 PolarHBondContact O-N 2.92Å; S242-K245 PolarHBondContact O-N 3.23Å; S242-K246 WeakPolarHBondContact O-CG 3.41Å; S242-K246 PolarHBondContact O-N 3.14Å; S242-K246 VanDerWaalsContact O-N 3.09Å
243E79.2Confident79.9Confident94 Ų9462.6 Ų62.644%0.43931%0.313SS..Hα-helixtrans-67.8-38.5177.6-63-52.3117.300112.4Q239 W240 I241 K245 K246 L247Q239-E243 WeakPolarHBondContact O-CG 3.47Å; Q239-E243 PolarHBondContact O-N 3.45Å; W240-E243 PolarHBondContact O-N 2.82Å; I241-E243 PolarHBondContact O-N 3.17Å; E243-K245 VanDerWaalsContact C-N 3.35Å; E243-K245 PolarHBondContact O-N 2.86Å; E243-K246 PolarHBondContact O-N 2.8Å; E243-K246 IonicContact OE1-NZ 2.86Å; E243-K246 PolarHBondContact OE1-NZ 2.84Å; E243-K246 IonicContact OE2-NZ 2.71Å; E243-L247 WeakPolarHBondContact O-CB 3.24Å; E243-L247 PolarHBondContact O-N 2.89Å
244A81.5Confident81.7Confident5 Ų565.2 Ų65.24%0.04132%0.321CS..Hα-helixtrans-63.6-38.6174.300000112.2W240 I241 L247 A248 L270W240-A244 WeakPolarHBondContact O-CB 3.36Å; W240-A244 PolarHBondContact O-N 3.47Å; I241-A244 PolarHBondContact O-N 3.42Å; A244-L247 PolarHBondContact O-N 2.96Å; A244-A248 WeakPolarHBondContact O-CB 3.25Å; A244-A248 PolarHBondContact O-N 3.08Å; A244-L270 HydrophobicContact CB-CD2 3.95Å
245K89.1Confident83.2Confident97 Ų9763 Ų6342%0.42231%0.309SS..Hα-helixtrans-61.9-51.3174.3-78.2-179.4178.8-173.50111.3I241 S242 E243 L247 A248 E249 L270I241-K245 HydrophobicContact CG2-CD 4.22Å; I241-K245 HydrophobicContact CG2-CG 4.35Å; I241-K245 WeakPolarHBondContact O-CB 3.07Å; I241-K245 WeakPolarHBondContact O-CG 3.43Å; I241-K245 PolarHBondContact O-N 3.42Å; S242-K245 PolarHBondContact O-N 3.23Å; E243-K245 VanDerWaalsContact C-N 3.35Å; E243-K245 PolarHBondContact O-N 2.86Å; K245-L247 VanDerWaalsContact C-N 3.26Å; K245-L247 PolarHBondContact O-N 3.49Å; K245-A248 PolarHBondContact O-N 2.89Å; K245-A248 VanDerWaalsContact O-N 3.16Å; K245-E249 WeakPolarHBondContact O-CB 3.18Å; K245-E249 WeakPolarHBondContact O-CG 3.48Å; K245-E249 PolarHBondContact O-N 3.01Å; K245-L270 HydrophobicContact CB-CD2 4.29Å; K245-L270 HydrophobicContact CG-CD2 3.55Å
246K88.4Confident84.6Confident106 Ų10658.9 Ų58.946%0.46129%0.285SS..Hα-helixtrans-56.6-41.8176.6-69.1173.1-173.7169.50112S242 E243 S250S242-K246 WeakPolarHBondContact O-CG 3.41Å; S242-K246 PolarHBondContact O-N 3.14Å; S242-K246 VanDerWaalsContact O-N 3.09Å; E243-K246 PolarHBondContact O-N 2.8Å; E243-K246 IonicContact OE1-NZ 2.86Å; E243-K246 PolarHBondContact OE1-NZ 2.84Å; E243-K246 IonicContact OE2-NZ 2.71Å; K246-S250 WeakPolarHBondContact O-CB 3.46Å; K246-S250 PolarHBondContact O-N 3.13Å; K246-S250 PolarHBondContact O-OG 3.3Å
247L87.8Confident86.2Confident28 Ų2859.7 Ų59.715%0.14729%0.287CS..Hα-helixtrans-63.4-51.3176.4177.960000111T142 V145 E243 A244 K245 E249 S250 I251 L324T142-L247 HydrophobicContact CG2-CD2 3.85Å; V145-L247 HydrophobicContact CB-CD1 4.36Å; V145-L247 HydrophobicContact CB-CD2 4.46Å; V145-L247 HydrophobicContact CG1-CD1 3.76Å; V145-L247 HydrophobicContact CG1-CD2 4.41Å; V145-L247 HydrophobicContact CG2-CD1 4.19Å; E243-L247 WeakPolarHBondContact O-CB 3.24Å; E243-L247 PolarHBondContact O-N 2.89Å; A244-L247 PolarHBondContact O-N 2.96Å; K245-L247 VanDerWaalsContact C-N 3.26Å; K245-L247 PolarHBondContact O-N 3.49Å; L247-E249 VanDerWaalsContact C-N 3.33Å; L247-E249 PolarHBondContact O-N 2.84Å; L247-S250 WeakPolarHBondContact O-CB 3.33Å; L247-S250 PolarHBondContact O-N 3.16Å; L247-S250 VanDerWaalsContact O-N 3.16Å; L247-I251 HydrophobicContact CD1-CD1 3.85Å; L247-I251 HydrophobicContact CD1-CG1 4.14Å; L247-I251 HydrophobicContact CD2-CD1 4.48Å; L247-I251 HydrophobicContact CG-CD1 3.78Å; L247-I251 HydrophobicContact CG-CG1 4.47Å; L247-I251 VanDerWaalsContact O-CG1 3.27Å; L247-I251 WeakPolarHBondContact O-CG1 3.36Å; L247-I251 PolarHBondContact O-N 3.05Å; L247-L324 HydrophobicContact CD1-CD1 3.99Å
248A92Very high87.5Confident4 Ų458.7 Ų58.73%0.03328%0.283CS..Hα-helixtrans-59.3-42.7179.600000112.1A244 K245 S250 I251 S252 L270 L285A244-A248 WeakPolarHBondContact O-CB 3.25Å; A244-A248 PolarHBondContact O-N 3.08Å; K245-A248 PolarHBondContact O-N 2.89Å; K245-A248 VanDerWaalsContact O-N 3.16Å; A248-S250 PolarHBondContact O-N 2.74Å; A248-I251 PolarHBondContact O-N 2.89Å; A248-S252 WeakPolarHBondContact O-CB 3.4Å; A248-S252 PolarHBondContact O-N 3.15Å; A248-L270 HydrophobicContact CB-CB 3.87Å; A248-L285 HydrophobicContact CB-CD1 3.7Å
249E94.7Very high88.6Confident128 Ų12853.7 Ų53.760%0.59826%0.261SS*.Hα-helixtrans-61.2-43.4175-73.4168.1-171.100111.8K245 L247 S252 K253K245-E249 WeakPolarHBondContact O-CB 3.18Å; K245-E249 WeakPolarHBondContact O-CG 3.48Å; K245-E249 PolarHBondContact O-N 3.01Å; L247-E249 VanDerWaalsContact C-N 3.33Å; L247-E249 PolarHBondContact O-N 2.84Å; E249-S252 PolarHBondContact O-N 3.35Å; E249-K253 WeakPolarHBondContact O-CB 3.32Å; E249-K253 PolarHBondContact O-N 3.16Å
250S91.8Very high89.6Confident53 Ų5354.9 Ų54.937%0.37126%0.26SS..Hα-helixtrans-63.9-42.4178.1-61.30000112K246 L247 A248 R254K246-S250 WeakPolarHBondContact O-CB 3.46Å; K246-S250 PolarHBondContact O-N 3.13Å; K246-S250 PolarHBondContact O-OG 3.3Å; L247-S250 WeakPolarHBondContact O-CB 3.33Å; L247-S250 PolarHBondContact O-N 3.16Å; L247-S250 VanDerWaalsContact O-N 3.16Å; A248-S250 PolarHBondContact O-N 2.74Å; S250-R254 WeakPolarHBondContact O-CG 3.45Å; S250-R254 PolarHBondContact O-N 2.84Å
251I93.7Very high90.4Very high1 Ų156 Ų561%0.00527%0.268CS..Hα-helixtrans-66.6-49175.5-61.6165.7000109.8T141 L247 A248 K253 R254 F255 V268 Y317 A320 L321 L324T141-I251 HydrophobicContact CG2-CD1 3.47Å; T141-I251 VanDerWaalsContact CG2-CD1 3.47Å; L247-I251 HydrophobicContact CD1-CD1 3.85Å; L247-I251 HydrophobicContact CD1-CG1 4.14Å; L247-I251 HydrophobicContact CD2-CD1 4.48Å; L247-I251 HydrophobicContact CG-CD1 3.78Å; L247-I251 HydrophobicContact CG-CG1 4.47Å; L247-I251 VanDerWaalsContact O-CG1 3.27Å; L247-I251 WeakPolarHBondContact O-CG1 3.36Å; L247-I251 PolarHBondContact O-N 3.05Å; A248-I251 PolarHBondContact O-N 2.89Å; I251-K253 VanDerWaalsContact C-N 3.35Å; I251-K253 PolarHBondContact O-N 3Å; I251-R254 PolarHBondContact O-N 2.99Å; I251-R254 VanDerWaalsContact O-N 3.12Å; I251-F255 WeakPolarHBondContact O-CB 3.34Å; I251-F255 PolarHBondContact O-N 3.08Å; I251-V268 HydrophobicContact CG2-CB 4.4Å; I251-V268 HydrophobicContact CG2-CG1 4.5Å; I251-V268 HydrophobicContact CG2-CG2 3.92Å; I251-Y317 HydrophobicContact CG2-CD2 4.23Å; I251-Y317 HydrophobicContact CG2-CE2 3.74Å; I251-A320 HydrophobicContact CG2-CB 4.1Å; I251-L321 HydrophobicContact CD1-CD2 3.53Å; I251-L321 HydrophobicContact CG1-CD2 3.79Å; I251-L321 HydrophobicContact CG2-CD2 4.06Å; I251-L324 HydrophobicContact CB-CD1 4.46Å; I251-L324 HydrophobicContact CD1-CD1 4.43Å; I251-L324 HydrophobicContact CG1-CD1 3.41Å; I251-L324 VanDerWaalsContact CG1-CD1 3.41Å
252S96.8Very high91.1Very high25 Ų2555.2 Ų55.218%0.17526%0.264CS..Hα-helixtrans-56.8-46.5-177.9-171.70000111.9A248 E249 R254 F255 G256 V268A248-S252 WeakPolarHBondContact O-CB 3.4Å; A248-S252 PolarHBondContact O-N 3.15Å; E249-S252 PolarHBondContact O-N 3.35Å; S252-R254 VanDerWaalsContact C-N 3.31Å; S252-R254 PolarHBondContact O-N 3.36Å; S252-F255 PolarHBondContact O-N 3.26Å; S252-G256 PolarHBondContact O-N 2.86Å; S252-V268 WeakPolarHBondContact CB-O 3.09Å; S252-V268 PolarHBondContact OG-N 2.91Å; S252-V268 PolarHBondContact OG-O 3.48Å
253K95Very high91.6Very high163 Ų16355.8 Ų55.871%0.70928%0.278SS*.Hα-helixtrans-55.9-45.3176.5-177.4-179.9178.6-1780111.9E249 I251 V257E249-K253 WeakPolarHBondContact O-CB 3.32Å; E249-K253 PolarHBondContact O-N 3.16Å; I251-K253 VanDerWaalsContact C-N 3.35Å; I251-K253 PolarHBondContact O-N 3Å; K253-V257 VanDerWaalsContact O-CG2 3.32Å; K253-V257 WeakPolarHBondContact O-CG2 3.31Å; K253-V257 PolarHBondContact O-N 3.24Å
254R92.6Very high92.3Very high86 Ų8653.3 Ų53.333%0.32527%0.265SS..Hα-helixtrans-71.6-49.3-179.6-69.4175.7-175.5-79.1-0.2111.4S250 I251 S252 G256 V257 L258 A320 Q323S250-R254 WeakPolarHBondContact O-CG 3.45Å; S250-R254 PolarHBondContact O-N 2.84Å; I251-R254 PolarHBondContact O-N 2.99Å; I251-R254 VanDerWaalsContact O-N 3.12Å; S252-R254 VanDerWaalsContact C-N 3.31Å; S252-R254 PolarHBondContact O-N 3.36Å; R254-G256 VanDerWaalsContact C-N 3.29Å; R254-G256 PolarHBondContact O-N 2.9Å; R254-V257 WeakPolarHBondContact O-CB 3.33Å; R254-V257 PolarHBondContact O-N 3.46Å; R254-L258 WeakPolarHBondContact O-CG 3.5Å; R254-L258 PolarHBondContact O-N 2.99Å; R254-A320 HydrophobicContact CB-CB 3.93Å; R254-A320 WeakPolarHBondContact CD-O 3.33Å; R254-Q323 VanDerWaalsContact CZ-CD 3.48Å; R254-Q323 VanDerWaalsContact NH1-NE2 3.16Å
255F95.5Very high93Very high0 Ų055.9 Ų55.90%028%0.278CS..Hα-helixtrans-55.3-46.1179-177.8-113.2000111.4I251 S252 V257 L258 M259 V268 I287 V289 S313 L316 A320I251-F255 WeakPolarHBondContact O-CB 3.34Å; I251-F255 PolarHBondContact O-N 3.08Å; S252-F255 PolarHBondContact O-N 3.26Å; F255-V257 VanDerWaalsContact C-N 3.35Å; F255-V257 PolarHBondContact O-N 3.19Å; F255-L258 PolarHBondContact O-N 3.27Å; F255-M259 HydrophobicContact CD1-CG 4.21Å; F255-M259 HydrophobicContact CD2-CG 4.23Å; F255-M259 HydrophobicContact CE1-CG 3.85Å; F255-M259 HydrophobicContact CE1-SD 4.36Å; F255-M259 HydrophobicContact CE2-CG 3.86Å; F255-M259 HydrophobicContact CE2-SD 4Å; F255-M259 HydrophobicContact CG-CG 4.4Å; F255-M259 HydrophobicContact CZ-CE 4.26Å; F255-M259 HydrophobicContact CZ-CG 3.65Å; F255-M259 HydrophobicContact CZ-SD 3.69Å; F255-M259 WeakPolarHBondContact O-CB 3.07Å; F255-M259 VanDerWaalsContact O-CG 3.28Å; F255-M259 WeakPolarHBondContact O-CG 3.31Å; F255-M259 PolarHBondContact O-N 3.46Å; F255-V268 HydrophobicContact CB-CG2 4.16Å; F255-V268 HydrophobicContact CD1-CG2 3.92Å; F255-V268 HydrophobicContact CG-CG2 4.16Å; F255-I287 HydrophobicContact CE1-CG2 3.72Å; F255-I287 HydrophobicContact CZ-CG2 3.7Å; F255-V289 HydrophobicContact CE1-CG1 4.24Å; F255-V289 HydrophobicContact CZ-CG1 4.04Å; F255-S313 WeakPolarHBondContact CE2-O 3.5Å; F255-L316 HydrophobicContact CD2-CB 4.17Å; F255-L316 HydrophobicContact CE2-CB 3.87Å; F255-A320 HydrophobicContact CB-CB 3.88Å
256G95.4Very high93.3Very high6 Ų651.4 Ų51.46%0.06226%0.259CS..Hα-helixtrans-67-30.1177.100000114.3S252 R254 R260 G266S252-G256 PolarHBondContact O-N 2.86Å; R254-G256 VanDerWaalsContact C-N 3.29Å; R254-G256 PolarHBondContact O-N 2.9Å; G256-R260 WeakPolarHBondContact O-CB 3.29Å; G256-R260 VanDerWaalsContact O-CG 3.32Å; G256-R260 WeakPolarHBondContact O-CG 3.33Å; G256-R260 PolarHBondContact O-N 2.74Å; G256-R260 PolarHBondContact O-NE 3.49Å; G256-G266 WeakPolarHBondContact CA-O 3.48Å
257V93.9Very high93.7Very high55 Ų5548.3 Ų48.333%0.33325%0.246SC..Hα-helixtrans-66.7-46.2170.8169.10000110.5K253 R254 F255 R260 Q261K253-V257 VanDerWaalsContact O-CG2 3.32Å; K253-V257 WeakPolarHBondContact O-CG2 3.31Å; K253-V257 PolarHBondContact O-N 3.24Å; R254-V257 WeakPolarHBondContact O-CB 3.33Å; R254-V257 PolarHBondContact O-N 3.46Å; F255-V257 VanDerWaalsContact C-N 3.35Å; F255-V257 PolarHBondContact O-N 3.19Å; V257-R260 PolarHBondContact O-N 3.22Å; V257-Q261 WeakPolarHBondContact O-CG 3.37Å; V257-Q261 PolarHBondContact O-N 3.44Å; V257-Q261 VanDerWaalsContact O-N 3.12Å
258L93.3Very high94.2Very high11 Ų1147.3 Ų47.36%0.05824%0.241CC..Hα-helixtrans-64.9-43.7-179.6-63.4174.2000112R254 F255 R260 Q261 L262 L316 F319 A320 L350 M354R254-L258 WeakPolarHBondContact O-CG 3.5Å; R254-L258 PolarHBondContact O-N 2.99Å; F255-L258 PolarHBondContact O-N 3.27Å; L258-R260 VanDerWaalsContact C-N 3.33Å; L258-R260 PolarHBondContact O-N 3.19Å; L258-Q261 WeakPolarHBondContact O-CB 3.34Å; L258-Q261 PolarHBondContact O-N 3.33Å; L258-L262 WeakPolarHBondContact O-CD1 3.5Å; L258-L262 PolarHBondContact O-N 3.28Å; L258-L316 HydrophobicContact CB-CB 4.35Å; L258-L316 HydrophobicContact CB-CD1 4.36Å; L258-L316 HydrophobicContact CB-CD2 4.21Å; L258-L316 WeakPolarHBondContact CD1-O 3.23Å; L258-F319 HydrophobicContact CD1-CB 3.78Å; L258-A320 HydrophobicContact CD1-CB 4.36Å; L258-L350 HydrophobicContact CB-CD2 4.45Å; L258-L350 HydrophobicContact CD2-CD1 4.27Å; L258-L350 HydrophobicContact CD2-CD2 3.96Å; L258-L350 HydrophobicContact CD2-CG 4.45Å; L258-M354 HydrophobicContact CD1-SD 4.46Å; L258-M354 HydrophobicContact CD2-CE 4.02Å; L258-M354 HydrophobicContact CD2-SD 3.41Å; L258-M354 WeakPolarHBondContact CD2-SD 3.48Å
259M94.9Very high94.4Very high0 Ų052.4 Ų52.40%026%0.26CS..Hα-helixtrans-60.3-43.1176.9-71.6-76.7-7200111.5F255 Q261 L262 G263 Y264 D265 V289 F291 L316F255-M259 HydrophobicContact CD1-CG 4.21Å; F255-M259 HydrophobicContact CD2-CG 4.23Å; F255-M259 HydrophobicContact CE1-CG 3.85Å; F255-M259 HydrophobicContact CE1-SD 4.36Å; F255-M259 HydrophobicContact CE2-CG 3.86Å; F255-M259 HydrophobicContact CE2-SD 4Å; F255-M259 HydrophobicContact CG-CG 4.4Å; F255-M259 HydrophobicContact CZ-CE 4.26Å; F255-M259 HydrophobicContact CZ-CG 3.65Å; F255-M259 HydrophobicContact CZ-SD 3.69Å; F255-M259 WeakPolarHBondContact O-CB 3.07Å; F255-M259 VanDerWaalsContact O-CG 3.28Å; F255-M259 WeakPolarHBondContact O-CG 3.31Å; F255-M259 PolarHBondContact O-N 3.46Å; M259-Q261 VanDerWaalsContact C-N 3.32Å; M259-Q261 PolarHBondContact O-N 2.96Å; M259-L262 PolarHBondContact O-N 3.34Å; M259-G263 PolarHBondContact O-N 3.11Å; M259-Y264 CarbonylContact C-O 3.59Å; M259-Y264 CarbonylContact O-C 3.58Å; M259-Y264 PolarHBondContact O-N 2.99Å; M259-Y264 VanDerWaalsContact O-O 3.1Å; M259-D265 WeakPolarHBondContact CE-O 3.43Å; M259-V289 HydrophobicContact CE-CB 3.94Å; M259-V289 HydrophobicContact CE-CG1 3.84Å; M259-F291 HydrophobicContact CE-CZ 4.37Å; M259-L316 HydrophobicContact CG-CD1 4.05Å; M259-L316 HydrophobicContact SD-CD1 3.57Å; M259-L316 VanDerWaalsContact SD-CD1 3.57Å
260R94.2Very high94.3Very high148 Ų14847.8 Ų47.856%0.55824%0.239SC*.Hα-helixtrans-65.5-32177.4-76.6-179.6-70.9144.8-6.4113.6G256 V257 L258 L262 G263 Y264G256-R260 WeakPolarHBondContact O-CB 3.29Å; G256-R260 VanDerWaalsContact O-CG 3.32Å; G256-R260 WeakPolarHBondContact O-CG 3.33Å; G256-R260 PolarHBondContact O-N 2.74Å; G256-R260 PolarHBondContact O-NE 3.49Å; V257-R260 PolarHBondContact O-N 3.22Å; L258-R260 VanDerWaalsContact C-N 3.33Å; L258-R260 PolarHBondContact O-N 3.19Å; R260-L262 PolarHBondContact O-N 3.28Å; R260-G263 PolarHBondContact O-N 3.16Å; R260-Y264 WeakPolarHBondContact CA-O 3.36Å; R260-Y264 WeakPolarHBondContact CG-O 3.45Å; R260-Y264 PolarHBondContact N-O 2.74Å; R260-Y264 VanDerWaalsContact N-O 3.15Å
261Q90.9Very high94.3Very high95 Ų9548 Ų4844%0.44424%0.236SC..Hα-helixtrans-64.2-24.9173.5-74176.8-14.300112.7V257 L258 M259 Y360V257-Q261 WeakPolarHBondContact O-CG 3.37Å; V257-Q261 PolarHBondContact O-N 3.44Å; V257-Q261 VanDerWaalsContact O-N 3.12Å; L258-Q261 WeakPolarHBondContact O-CB 3.34Å; L258-Q261 PolarHBondContact O-N 3.33Å; M259-Q261 VanDerWaalsContact C-N 3.32Å; M259-Q261 PolarHBondContact O-N 2.96Å; Q261-Y360 PolarHBondContact NE2-OH 2.91Å
262L91.4Very high94Very high6 Ų649.9 Ų49.93%0.03125%0.248CC..THydrogen-bonded Turntrans-90.4-3.3174.2-83.374.6000113.7L258 M259 R260 Y264 V312 L316 K346 V347 L350L258-L262 WeakPolarHBondContact O-CD1 3.5Å; L258-L262 PolarHBondContact O-N 3.28Å; M259-L262 PolarHBondContact O-N 3.34Å; R260-L262 PolarHBondContact O-N 3.28Å; L262-Y264 HydrophobicContact CB-CD2 3.77Å; L262-Y264 HydrophobicContact CB-CE2 4.01Å; L262-V312 HydrophobicContact CD2-CG1 3.72Å; L262-L316 HydrophobicContact CD1-CD1 4.12Å; L262-L316 HydrophobicContact CD1-CD2 4.27Å; L262-L316 HydrophobicContact CD2-CD1 4.09Å; L262-K346 HydrophobicContact CD2-CB 4.23Å; L262-K346 HydrophobicContact CG-CB 4Å; L262-V347 HydrophobicContact CD2-CG2 3.52Å; L262-L350 HydrophobicContact CD1-CD2 3.46Å; L262-L350 VanDerWaalsContact CD1-CD2 3.46Å
263G91.7Very high93.1Very high60 Ų6050.2 Ų50.262%0.61925%0.249SC*.THydrogen-bonded Turntrans87.615.2-175.900000114.5M259 R260M259-G263 PolarHBondContact O-N 3.11Å; R260-G263 PolarHBondContact O-N 3.16Å
264Y94.5Very high92.5Very high42 Ų4250.8 Ų50.817%0.16526%0.26CS..  trans-114.1177.1177.7-53.5-50.7000111M259 R260 L262 F291 N343M259-Y264 CarbonylContact C-O 3.59Å; M259-Y264 CarbonylContact O-C 3.58Å; M259-Y264 PolarHBondContact O-N 2.99Å; M259-Y264 VanDerWaalsContact O-O 3.1Å; R260-Y264 WeakPolarHBondContact CA-O 3.36Å; R260-Y264 WeakPolarHBondContact CG-O 3.45Å; R260-Y264 PolarHBondContact N-O 2.74Å; R260-Y264 VanDerWaalsContact N-O 3.15Å; L262-Y264 HydrophobicContact CB-CD2 3.77Å; L262-Y264 HydrophobicContact CB-CE2 4.01Å; Y264-F291 HydrophobicContact CD1-CB 4.41Å; Y264-F291 AromaticContact CD1-CD1 3.6Å; Y264-F291 HydrophobicContact CD1-CD1 3.6Å; Y264-F291 HydrophobicContact CD1-CE1 4.3Å; Y264-F291 HydrophobicContact CD1-CG 4.39Å; Y264-F291 AromaticContact CD2-CD1 3.9Å; Y264-F291 HydrophobicContact CD2-CD1 3.9Å; Y264-F291 AromaticContact CD2-CE1 3.74Å; Y264-F291 HydrophobicContact CD2-CE1 3.74Å; Y264-F291 AromaticContact CE1-CD1 3.69Å; Y264-F291 HydrophobicContact CE1-CD1 3.69Å; Y264-F291 HydrophobicContact CE1-CE1 4.43Å; Y264-F291 AromaticContact CE2-CD1 3.98Å; Y264-F291 HydrophobicContact CE2-CD1 3.98Å; Y264-F291 AromaticContact CE2-CE1 3.89Å; Y264-F291 HydrophobicContact CE2-CE1 3.89Å; Y264-F291 AromaticContact CG-CD1 3.71Å; Y264-F291 HydrophobicContact CG-CD1 3.71Å; Y264-F291 AromaticContact CG-CE1 3.96Å; Y264-F291 HydrophobicContact CG-CE1 3.96Å; Y264-F291 AromaticContact CZ-CD1 3.88Å; Y264-N343 WeakPolarHBondContact CE2-OD1 3.44Å; Y264-N343 VanDerWaalsContact OH-CG 3.32Å; Y264-N343 PolarHBondContact OH-ND2 3.46Å; Y264-N343 PolarHBondContact OH-OD1 3.18Å
265D95.3Very high91.8Very high59 Ų5951.1 Ų51.132%0.31627%0.268SS..EExtended strand (participates in β ladder)trans-124.7151.5169.6-149.6-9.3000111M259 Q290 F297M259-D265 WeakPolarHBondContact CE-O 3.43Å; D265-Q290 HydrophobicContact CB-CB 4.17Å; D265-Q290 PolarHBondContact N-O 2.84Å; D265-Q290 VanDerWaalsContact N-O 3.08Å; D265-Q290 PolarHBondContact O-N 3.05Å; D265-F297 HydrophobicContact CB-CE1 4.18Å; D265-F297 HydrophobicContact CB-CZ 3.88Å
266G96.4Very high90.5Very high3 Ų356.5 Ų56.53%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-160.5144.6-177.500000112.6G256 M288G256-G266 WeakPolarHBondContact CA-O 3.48Å; G266-M288 VanDerWaalsContact CA-O 3.28Å; G266-M288 WeakPolarHBondContact CA-O 3.34Å
267E96.5Very high89Confident42 Ų4263.7 Ų63.720%0.19633%0.325CS..EExtended strand (participates in β ladder)trans-144.3152.6177.562.2179.8156.700109.3R269 M288 F297E267-R269 VanDerWaalsContact CD-NH2 3.31Å; E267-R269 HydrophobicContact CG-CG 4.33Å; E267-R269 IonicContact OE1-CZ 3.98Å; E267-R269 IonicContact OE1-NE 3.58Å; E267-R269 PolarHBondContact OE1-NE 2.78Å; E267-R269 IonicContact OE1-NH1 3.61Å; E267-R269 IonicContact OE1-NH2 2.92Å; E267-R269 PolarHBondContact OE1-NH2 2.89Å; E267-R269 IonicContact OE2-CZ 2.78Å; E267-R269 IonicContact OE2-NE 2.57Å; E267-R269 PolarHBondContact OE2-NE 2.97Å; E267-R269 IonicContact OE2-NH2 3.5Å; E267-R269 PolarHBondContact OE2-NH2 3.11Å; E267-M288 HydrophobicContact CG-CB 3.6Å; E267-M288 HydrophobicContact CG-CG 3.99Å; E267-M288 PolarHBondContact N-O 3.28Å; E267-M288 PolarHBondContact O-N 3.09Å; E267-F297 HydrophobicContact CG-CD1 4.1Å; E267-F297 HydrophobicContact CG-CE1 3.93Å; E267-F297 HydrophobicContact CG-CZ 4.49Å; E267-F297 WeakPolarHBondContact OE1-CG 3.42Å
268V97Very high87.7Confident7 Ų761.8 Ų61.84%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-111.7122.4172.7-1790000107.9I251 S252 F255 L285 R286 I287 Y317I251-V268 HydrophobicContact CG2-CB 4.4Å; I251-V268 HydrophobicContact CG2-CG1 4.5Å; I251-V268 HydrophobicContact CG2-CG2 3.92Å; S252-V268 WeakPolarHBondContact CB-O 3.09Å; S252-V268 PolarHBondContact OG-N 2.91Å; S252-V268 PolarHBondContact OG-O 3.48Å; F255-V268 HydrophobicContact CB-CG2 4.16Å; F255-V268 HydrophobicContact CD1-CG2 3.92Å; F255-V268 HydrophobicContact CG-CG2 4.16Å; V268-L285 HydrophobicContact CG1-CD1 3.53Å; V268-L285 HydrophobicContact CG1-CD2 3.7Å; V268-L285 HydrophobicContact CG1-CG 3.5Å; V268-R286 WeakPolarHBondContact CA-O 3.42Å; V268-I287 HydrophobicContact CG2-CG1 4.48Å; V268-Y317 HydrophobicContact CG1-CE2 4.45Å; V268-Y317 HydrophobicContact CG2-CD2 4.1Å; V268-Y317 HydrophobicContact CG2-CE2 3.95Å
269R96.2Very high86.2Confident110 Ų11064.7 Ų64.742%0.41533%0.334SS..EExtended strand (participates in β ladder)trans-108.9140.1-177.9-66.1-175.7176.4167.4-1.6110.4E267 L285 R286 M288E267-R269 VanDerWaalsContact CD-NH2 3.31Å; E267-R269 HydrophobicContact CG-CG 4.33Å; E267-R269 IonicContact OE1-CZ 3.98Å; E267-R269 IonicContact OE1-NE 3.58Å; E267-R269 PolarHBondContact OE1-NE 2.78Å; E267-R269 IonicContact OE1-NH1 3.61Å; E267-R269 IonicContact OE1-NH2 2.92Å; E267-R269 PolarHBondContact OE1-NH2 2.89Å; E267-R269 IonicContact OE2-CZ 2.78Å; E267-R269 IonicContact OE2-NE 2.57Å; E267-R269 PolarHBondContact OE2-NE 2.97Å; E267-R269 IonicContact OE2-NH2 3.5Å; E267-R269 PolarHBondContact OE2-NH2 3.11Å; R269-L285 CarbonylContact O-C 3.38Å; R269-L285 WeakPolarHBondContact O-CA 3.43Å; R269-R286 PolarHBondContact N-O 3.31Å; R269-R286 PolarHBondContact O-N 3.48Å; R269-M288 HydrophobicContact CG-CG 4.07Å
270L93.7Very high84.7Confident31 Ų3168 Ų6816%0.16235%0.352CS..EExtended strand (participates in β ladder)trans-103.5109.7168.8-174.275.8000108.8L138 A244 K245 A248 V272 G284 L285L138-L270 HydrophobicContact CD1-CD1 3.78Å; L138-L270 HydrophobicContact CD2-CD1 3.86Å; L138-L270 HydrophobicContact CG-CD1 4.45Å; A244-L270 HydrophobicContact CB-CD2 3.95Å; K245-L270 HydrophobicContact CB-CD2 4.29Å; K245-L270 HydrophobicContact CG-CD2 3.55Å; A248-L270 HydrophobicContact CB-CB 3.87Å; L270-V272 HydrophobicContact CD2-CG2 3.71Å; L270-V272 HydrophobicContact CG-CG2 3.88Å; L270-V272 PolarHBondContact O-N 2.93Å; L270-G284 CarbonylContact C-O 3.57Å; L270-G284 WeakPolarHBondContact CA-O 3.1Å; L270-L285 HydrophobicContact CD1-CD1 4.13Å
271D91.7Very high83.4Confident58 Ų5863.7 Ų63.731%0.3134%0.339SS..EExtended strand (participates in β ladder)trans-74.8121.6169.1-73.33.5000108.2C283 G284 R286D271-C283 VanDerWaalsContact O-CA 3.24Å; D271-C283 WeakPolarHBondContact O-CA 3.28Å; D271-C283 PolarHBondContact O-SG 2.97Å; D271-C283 VanDerWaalsContact O-SG 3.35Å; D271-G284 PolarHBondContact N-O 2.96Å; D271-G284 PolarHBondContact O-N 3Å; D271-R286 IonicContact OD1-NE 3.55Å; D271-R286 IonicContact OD2-CZ 3.27Å; D271-R286 VanDerWaalsContact OD2-CZ 3.26Å; D271-R286 IonicContact OD2-NE 3.73Å; D271-R286 PolarHBondContact OD2-NE 2.98Å; D271-R286 IonicContact OD2-NH2 2.91Å; D271-R286 PolarHBondContact OD2-NH2 3.24Å
272V86.1Confident82.4Confident41 Ų4164.7 Ų64.725%0.24834%0.344CS..  trans-121.4131.5174-177.80000107.2I241 L270 N274I241-V272 HydrophobicContact CD1-CG1 4.02Å; I241-V272 HydrophobicContact CG2-CG1 3.96Å; I241-V272 HydrophobicContact CG2-CG2 4.01Å; L270-V272 HydrophobicContact CD2-CG2 3.71Å; L270-V272 HydrophobicContact CG-CG2 3.88Å; L270-V272 PolarHBondContact O-N 2.93Å; V272-N274 PolarHBondContact O-N 3.07Å
273P78.8Confident81.6Confident31 Ų3164.5 Ų64.520%0.20134%0.343CS..  trans-61.4138.5177.725.5-34.2000110.7D275 A278 H282P273-D275 PolarHBondContact O-N 2.96Å; P273-A278 HydrophobicContact CB-CB 3.6Å; P273-A278 HydrophobicContact CG-CB 3.83Å; P273-H282 HydrophobicContact CB-CB 4.15Å; P273-H282 HydrophobicContact CG-CB 4.11Å
274N82.5Confident81.4Confident176 Ų17661.7 Ų61.794%0.94131%0.314SS*.SBendtrans-63.6-30.6177.1-69.5-26.2000112.2V272V272-N274 PolarHBondContact O-N 3.07Å
275D78.7Confident81.2Confident92 Ų9259.8 Ų59.849%0.49231%0.307SS..SBendtrans-80.6119.1176.1176.911000110.5P273 E277 A278P273-D275 PolarHBondContact O-N 2.96Å; D275-E277 PolarHBondContact O-N 2.86Å; D275-E277 PolarHBondContact OD1-N 2.77Å; D275-A278 HydrophobicContact CB-CB 4.02Å; D275-A278 WeakPolarHBondContact O-CB 3.36Å; D275-A278 PolarHBondContact O-N 2.88Å; D275-A278 VanDerWaalsContact O-N 3.17Å
276E68.5Low81.3Confident114 Ų11460.6 Ų60.653%0.53331%0.305SS..THydrogen-bonded Turntrans-63.3-22177.8-68-160.1155.800112.9K237 K238K237-E276 PolarHBondContact NZ-O 2.82Å; K238-E276 WeakPolarHBondContact CE-OE1 3.02Å; K238-E276 WeakPolarHBondContact CE-OE2 3.21Å; K238-E276 IonicContact NZ-OE1 2.75Å; K238-E276 PolarHBondContact NZ-OE1 2.82Å; K238-E276 IonicContact NZ-OE2 2.68Å; K238-E276 PolarHBondContact NZ-OE2 2.78Å
277E63Low81.3Confident157 Ų15760.7 Ų60.773%0.73431%0.305SS*.THydrogen-bonded Turntrans-88.9-17.6178.2-60.7-166.8167.600113D275D275-E277 PolarHBondContact O-N 2.86Å; D275-E277 PolarHBondContact OD1-N 2.77Å
278A65.6Low81.3Confident15 Ų1559.5 Ų59.512%0.12430%0.3CS..SBendtrans-56142.2-179.200000111.7K237 P273 D275K237-A278 PolarHBondContact NZ-O 3.05Å; P273-A278 HydrophobicContact CB-CB 3.6Å; P273-A278 HydrophobicContact CG-CB 3.83Å; D275-A278 HydrophobicContact CB-CB 4.02Å; D275-A278 WeakPolarHBondContact O-CB 3.36Å; D275-A278 PolarHBondContact O-N 2.88Å; D275-A278 VanDerWaalsContact O-N 3.17Å
279P62.8Low81.3Confident71 Ų7159.3 Ų59.346%0.46130%0.299SS..  trans-66.7151.8-175.813.9-11.9000112D281 H282P279-D281 VanDerWaalsContact C-OD1 3.29Å; P279-D281 WeakPolarHBondContact CB-OD1 3.2Å; P279-D281 WeakPolarHBondContact CG-OD1 3.37Å; P279-D281 PolarHBondContact O-N 3.26Å; P279-D281 VanDerWaalsContact O-N 3.08Å; P279-H282 PolarHBondContact O-N 3.25Å; P279-H282 VanDerWaalsContact O-N 3.11Å; P279-H282 PolarHBondContact O-ND1 2.92Å
280I62.4Low81.2Confident70 Ų7055.7 Ų55.736%0.35929%0.286SS..G310 helixtrans-64.1-16.3-172.9-156165.1000113.2W240 H282 C283W240-I280 HydrophobicContact CD2-CD1 3.78Å; W240-I280 HydrophobicContact CE3-CD1 3.3Å; W240-I280 HydrophobicContact CE3-CG1 3.84Å; W240-I280 HydrophobicContact CH2-CD1 3.97Å; W240-I280 HydrophobicContact CH2-CG1 3.91Å; W240-I280 HydrophobicContact CZ2-CD1 4.41Å; W240-I280 HydrophobicContact CZ3-CD1 3.42Å; W240-I280 VanDerWaalsContact CZ3-CD1 3.42Å; W240-I280 HydrophobicContact CZ3-CG1 3.41Å; W240-I280 VanDerWaalsContact CZ3-CG1 3.41Å; I280-H282 PolarHBondContact O-N 3.16Å; I280-C283 WeakPolarHBondContact O-CB 3.39Å; I280-C283 PolarHBondContact O-N 2.96Å
281D66.9Low81.1Confident57 Ų5756 Ų5631%0.30529%0.286SS..G310 helixtrans-69.7-15.6176.151.78.5000113.7L135 P279 C283L135-D281 HydrophobicContact CD2-CB 3.71Å; P279-D281 VanDerWaalsContact C-OD1 3.29Å; P279-D281 WeakPolarHBondContact CB-OD1 3.2Å; P279-D281 WeakPolarHBondContact CG-OD1 3.37Å; P279-D281 PolarHBondContact O-N 3.26Å; P279-D281 VanDerWaalsContact O-N 3.08Å; D281-C283 VanDerWaalsContact C-N 3.25Å
282H70.3Confident80.6Confident117 Ų11755.1 Ų55.154%0.54229%0.292SS..G310 helixtrans-80.3-8.8168.9-65.474.7000112.5P273 P279 I280P273-H282 HydrophobicContact CB-CB 4.15Å; P273-H282 HydrophobicContact CG-CB 4.11Å; P279-H282 PolarHBondContact O-N 3.25Å; P279-H282 VanDerWaalsContact O-N 3.11Å; P279-H282 PolarHBondContact O-ND1 2.92Å; I280-H282 PolarHBondContact O-N 3.16Å
283C74.4Confident80Confident1 Ų159.7 Ų59.71%0.00733%0.325CS..  trans-80137.3170.8-168.60000109.7L135 L138 W240 D271 I280 D281L135-C283 WeakPolarHBondContact CD1-O 3.38Å; L138-C283 HydrophobicContact CD2-CB 4.28Å; W240-C283 HydrophobicContact CH2-CB 4.32Å; W240-C283 HydrophobicContact CZ3-CB 4.18Å; D271-C283 VanDerWaalsContact O-CA 3.24Å; D271-C283 WeakPolarHBondContact O-CA 3.28Å; D271-C283 PolarHBondContact O-SG 2.97Å; D271-C283 VanDerWaalsContact O-SG 3.35Å; I280-C283 WeakPolarHBondContact O-CB 3.39Å; I280-C283 PolarHBondContact O-N 2.96Å; D281-C283 VanDerWaalsContact C-N 3.25Å
284G87.1Confident79.7Confident1 Ų161.9 Ų61.91%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-158.8151.9-177.600000113.5P134 L270 D271P134-G284 VanDerWaalsContact C-CA 3.44Å; P134-G284 CarbonylContact O-C 3.58Å; P134-G284 WeakPolarHBondContact O-CA 3.33Å; L270-G284 CarbonylContact C-O 3.57Å; L270-G284 WeakPolarHBondContact CA-O 3.1Å; D271-G284 PolarHBondContact N-O 2.96Å; D271-G284 PolarHBondContact O-N 3Å
285L92.3Very high79.4Confident3 Ų355 Ų552%0.01633%0.325CS..EExtended strand (participates in β ladder)trans-96.9134.9173.9-158.377.1000108.6P134 L137 L138 T141 A248 V268 R269 L270 Y317P134-L285 VanDerWaalsContact CA-O 3.31Å; P134-L285 WeakPolarHBondContact CA-O 3.21Å; P134-L285 PolarHBondContact O-N 3.16Å; L137-L285 HydrophobicContact CD2-CB 4.27Å; L137-L285 HydrophobicContact CD2-CD2 4.26Å; L137-L285 HydrophobicContact CG-CB 4.26Å; L137-L285 HydrophobicContact CG-CD2 4.16Å; L138-L285 HydrophobicContact CB-CB 3.91Å; L138-L285 HydrophobicContact CD1-CB 4.27Å; L138-L285 HydrophobicContact CD1-CD1 4.4Å; T141-L285 HydrophobicContact CG2-CD2 4.12Å; A248-L285 HydrophobicContact CB-CD1 3.7Å; V268-L285 HydrophobicContact CG1-CD1 3.53Å; V268-L285 HydrophobicContact CG1-CD2 3.7Å; V268-L285 HydrophobicContact CG1-CG 3.5Å; R269-L285 CarbonylContact O-C 3.38Å; R269-L285 WeakPolarHBondContact O-CA 3.43Å; L270-L285 HydrophobicContact CD1-CD1 4.13Å; L285-Y317 HydrophobicContact CD2-CE2 4.42Å; L285-Y317 WeakPolarHBondContact CD2-OH 3.29Å
286R95.6Very high79.9Confident75 Ų7556.2 Ų56.228%0.28334%0.335SS..EExtended strand (participates in β ladder)trans-122.6137.4171.8-61.9-170.3-165.8-102.3-2.4110.1P134 V268 R269 D271 M288 E299P134-R286 HydrophobicContact CB-CG 4.32Å; P134-R286 HydrophobicContact CG-CG 4.26Å; V268-R286 WeakPolarHBondContact CA-O 3.42Å; R269-R286 PolarHBondContact N-O 3.31Å; R269-R286 PolarHBondContact O-N 3.48Å; D271-R286 IonicContact OD1-NE 3.55Å; D271-R286 IonicContact OD2-CZ 3.27Å; D271-R286 VanDerWaalsContact OD2-CZ 3.26Å; D271-R286 IonicContact OD2-NE 3.73Å; D271-R286 PolarHBondContact OD2-NE 2.98Å; D271-R286 IonicContact OD2-NH2 2.91Å; D271-R286 PolarHBondContact OD2-NH2 3.24Å; R286-M288 HydrophobicContact CB-SD 4.04Å; R286-E299 IonicContact CZ-OE1 3.89Å; R286-E299 IonicContact CZ-OE2 2.98Å; R286-E299 VanDerWaalsContact NH1-CD 3.27Å; R286-E299 IonicContact NH1-OE1 3.26Å; R286-E299 PolarHBondContact NH1-OE1 2.71Å; R286-E299 IonicContact NH1-OE2 3.9Å; R286-E299 PolarHBondContact NH1-OE2 3.49Å
287I97.1Very high81.1Confident5 Ų553.6 Ų53.63%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-96.2117.9170.6-59.7165.4000106.3F129 L137 F255 V268 V289 L300 Y317F129-I287 HydrophobicContact CE1-CD1 3.9Å; F129-I287 HydrophobicContact CZ-CD1 4.4Å; L137-I287 HydrophobicContact CD2-CD1 3.76Å; L137-I287 HydrophobicContact CD2-CG1 3.8Å; F255-I287 HydrophobicContact CE1-CG2 3.72Å; F255-I287 HydrophobicContact CZ-CG2 3.7Å; V268-I287 HydrophobicContact CG2-CG1 4.48Å; I287-V289 HydrophobicContact CG2-CG1 4.01Å; I287-L300 HydrophobicContact CB-CB 4.07Å; I287-L300 HydrophobicContact CB-CD2 4.28Å; I287-L300 HydrophobicContact CD1-CD2 4.1Å; I287-L300 HydrophobicContact CG2-CB 4.2Å; I287-L300 HydrophobicContact CG2-CD2 4.16Å; I287-L300 WeakPolarHBondContact O-CB 3.39Å; I287-L300 PolarHBondContact O-N 3.2Å; I287-Y317 HydrophobicContact CD1-CD1 4.01Å; I287-Y317 HydrophobicContact CD1-CD2 3.54Å; I287-Y317 HydrophobicContact CD1-CE1 4.24Å; I287-Y317 HydrophobicContact CD1-CE2 3.8Å; I287-Y317 HydrophobicContact CD1-CG 3.65Å; I287-Y317 HydrophobicContact CG1-CD2 3.81Å; I287-Y317 HydrophobicContact CG1-CE2 3.87Å; I287-Y317 HydrophobicContact CG1-CG 4.42Å
288M96.8Very high82.5Confident18 Ų1852.5 Ų52.59%0.08931%0.311CS..EExtended strand (participates in β ladder)trans-105.7134176.6-47.6-60.8-65.100108.7G266 E267 R269 R286 F297 R298 E299G266-M288 VanDerWaalsContact CA-O 3.28Å; G266-M288 WeakPolarHBondContact CA-O 3.34Å; E267-M288 HydrophobicContact CG-CB 3.6Å; E267-M288 HydrophobicContact CG-CG 3.99Å; E267-M288 PolarHBondContact N-O 3.28Å; E267-M288 PolarHBondContact O-N 3.09Å; R269-M288 HydrophobicContact CG-CG 4.07Å; R286-M288 HydrophobicContact CB-SD 4.04Å; M288-F297 HydrophobicContact CB-CB 4.33Å; M288-F297 HydrophobicContact CB-CD1 3.88Å; M288-F297 HydrophobicContact CB-CG 4.48Å; M288-F297 HydrophobicContact CE-CB 4.49Å; M288-R298 CarbonylContact C-O 3.14Å; M288-R298 WeakPolarHBondContact CA-O 3.22Å; M288-E299 HydrophobicContact CE-CB 4.21Å; M288-E299 HydrophobicContact SD-CB 3.98Å; M288-E299 HydrophobicContact SD-CG 4.45Å
289V96.6Very high83.9Confident2 Ų254.6 Ų54.61%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-132.6146.6-175.7-61.20000110.3F255 M259 I287 F291 R298 Q305F255-V289 HydrophobicContact CE1-CG1 4.24Å; F255-V289 HydrophobicContact CZ-CG1 4.04Å; M259-V289 HydrophobicContact CE-CB 3.94Å; M259-V289 HydrophobicContact CE-CG1 3.84Å; I287-V289 HydrophobicContact CG2-CG1 4.01Å; V289-F291 HydrophobicContact CB-CD2 4.4Å; V289-F291 HydrophobicContact CB-CE2 3.87Å; V289-F291 HydrophobicContact CG2-CD2 4.15Å; V289-F291 HydrophobicContact CG2-CE2 3.69Å; V289-R298 PolarHBondContact N-O 2.85Å; V289-R298 PolarHBondContact O-N 2.88Å; V289-Q305 HydrophobicContact CG2-CG 4.09Å
290Q94.7Very high85.4Confident34 Ų3451.9 Ų51.916%0.15930%0.3CS..EExtended strand (participates in β ladder)trans-131.8108.9174.1-176.1-173.7-34.500109D265 G292 G295 F297D265-Q290 HydrophobicContact CB-CB 4.17Å; D265-Q290 PolarHBondContact N-O 2.84Å; D265-Q290 VanDerWaalsContact N-O 3.08Å; D265-Q290 PolarHBondContact O-N 3.05Å; Q290-G292 PolarHBondContact NE2-O 3.49Å; Q290-G295 PolarHBondContact NE2-O 2.91Å; Q290-G295 PolarHBondContact OE1-O 3.46Å; Q290-F297 HydrophobicContact CB-CD1 4.17Å; Q290-F297 HydrophobicContact CB-CE1 4.23Å; Q290-F297 HydrophobicContact CB-CG 4.5Å
291F91.2Very high86.7Confident37 Ų3749.8 Ų49.816%0.16229%0.289CS..  trans-93.9131.4170.9-66.3-83000109.1M259 Y264 V289 Q305 E309 S313M259-F291 HydrophobicContact CE-CZ 4.37Å; Y264-F291 HydrophobicContact CD1-CB 4.41Å; Y264-F291 AromaticContact CD1-CD1 3.6Å; Y264-F291 HydrophobicContact CD1-CD1 3.6Å; Y264-F291 HydrophobicContact CD1-CE1 4.3Å; Y264-F291 HydrophobicContact CD1-CG 4.39Å; Y264-F291 AromaticContact CD2-CD1 3.9Å; Y264-F291 HydrophobicContact CD2-CD1 3.9Å; Y264-F291 AromaticContact CD2-CE1 3.74Å; Y264-F291 HydrophobicContact CD2-CE1 3.74Å; Y264-F291 AromaticContact CE1-CD1 3.69Å; Y264-F291 HydrophobicContact CE1-CD1 3.69Å; Y264-F291 HydrophobicContact CE1-CE1 4.43Å; Y264-F291 AromaticContact CE2-CD1 3.98Å; Y264-F291 HydrophobicContact CE2-CD1 3.98Å; Y264-F291 AromaticContact CE2-CE1 3.89Å; Y264-F291 HydrophobicContact CE2-CE1 3.89Å; Y264-F291 AromaticContact CG-CD1 3.71Å; Y264-F291 HydrophobicContact CG-CD1 3.71Å; Y264-F291 AromaticContact CG-CE1 3.96Å; Y264-F291 HydrophobicContact CG-CE1 3.96Å; Y264-F291 AromaticContact CZ-CD1 3.88Å; V289-F291 HydrophobicContact CB-CD2 4.4Å; V289-F291 HydrophobicContact CB-CE2 3.87Å; V289-F291 HydrophobicContact CG2-CD2 4.15Å; V289-F291 HydrophobicContact CG2-CE2 3.69Å; F291-Q305 HydrophobicContact CD2-CG 4.43Å; F291-Q305 HydrophobicContact CE2-CG 4.22Å; F291-E309 HydrophobicContact CD1-CB 4.45Å; F291-E309 HydrophobicContact CD1-CG 3.81Å; F291-E309 HydrophobicContact CD2-CB 4.08Å; F291-E309 HydrophobicContact CD2-CG 3.9Å; F291-E309 HydrophobicContact CE1-CB 4.04Å; F291-E309 HydrophobicContact CE1-CG 3.83Å; F291-E309 HydrophobicContact CE2-CB 3.63Å; F291-E309 HydrophobicContact CE2-CG 3.92Å; F291-E309 HydrophobicContact CG-CB 4.48Å; F291-E309 HydrophobicContact CG-CG 3.86Å; F291-E309 HydrophobicContact CZ-CB 3.61Å; F291-E309 HydrophobicContact CZ-CG 3.89Å; F291-E309 WeakPolarHBondContact CZ-O 3.47Å; F291-S313 WeakPolarHBondContact CZ-OG 3.27Å
292G81.5Confident87.5Confident41 Ų4149 Ų4942%0.42329%0.285SS..SBendtrans87.7154.1179.200000116Q290 G294 G295Q290-G292 PolarHBondContact NE2-O 3.49Å; G292-G294 PolarHBondContact O-N 3.5Å; G292-G295 PolarHBondContact O-N 3.39Å
293S74.1Confident88.3Confident137 Ų13750.9 Ų50.996%0.95829%0.293SS*.THydrogen-bonded Turntrans-69.6116.6178.5-41.80000110.5
294G71.6Confident88.8Confident77 Ų7755.7 Ų55.779%0.79432%0.316SS*.THydrogen-bonded Turntrans8510.7178.500000115.8G292G292-G294 PolarHBondContact O-N 3.5Å
295G76.2Confident88.7Confident32 Ų3256.3 Ų56.333%0.3332%0.318SS..PPolyproline II helixtrans-63.9166.816900000113.2Q290 G292Q290-G295 PolarHBondContact NE2-O 2.91Å; Q290-G295 PolarHBondContact OE1-O 3.46Å; G292-G295 PolarHBondContact O-N 3.39Å
296V89.1Confident88.6Confident116 Ų11659 Ų5970%0.70334%0.337SS*.PPolyproline II helixtrans-98.8142.7169.7-178.20000108.1R298V296-R298 PolarHBondContact O-N 3.29Å
297F93.6Very high88.1Confident59 Ų5956.9 Ų56.926%0.25934%0.339SS..PPolyproline II helixtrans-54.4124.3169.3-80.9-78.4000111D265 E267 M288 Q290D265-F297 HydrophobicContact CB-CE1 4.18Å; D265-F297 HydrophobicContact CB-CZ 3.88Å; E267-F297 HydrophobicContact CG-CD1 4.1Å; E267-F297 HydrophobicContact CG-CE1 3.93Å; E267-F297 HydrophobicContact CG-CZ 4.49Å; E267-F297 WeakPolarHBondContact OE1-CG 3.42Å; M288-F297 HydrophobicContact CB-CB 4.33Å; M288-F297 HydrophobicContact CB-CD1 3.88Å; M288-F297 HydrophobicContact CB-CG 4.48Å; M288-F297 HydrophobicContact CE-CB 4.49Å; Q290-F297 HydrophobicContact CB-CD1 4.17Å; Q290-F297 HydrophobicContact CB-CE1 4.23Å; Q290-F297 HydrophobicContact CB-CG 4.5Å
298R93.3Very high87.7Confident135 Ų13556.7 Ų56.751%0.50934%0.338SS..EExtended strand (participates in β ladder)trans-118.8144.8173.5-66.8-177.6-177.2178.6-0.3109.3M288 V289 V296M288-R298 CarbonylContact C-O 3.14Å; M288-R298 WeakPolarHBondContact CA-O 3.22Å; V289-R298 PolarHBondContact N-O 2.85Å; V289-R298 PolarHBondContact O-N 2.88Å; V296-R298 PolarHBondContact O-N 3.29Å
299E94.5Very high87.4Confident59 Ų5958.3 Ų58.328%0.27635%0.345SS..EExtended strand (participates in β ladder)trans-62.4138.1170.6-176.1170.7-174.600109.3R286 M288 N301 Q305R286-E299 IonicContact CZ-OE1 3.89Å; R286-E299 IonicContact CZ-OE2 2.98Å; R286-E299 VanDerWaalsContact NH1-CD 3.27Å; R286-E299 IonicContact NH1-OE1 3.26Å; R286-E299 PolarHBondContact NH1-OE1 2.71Å; R286-E299 IonicContact NH1-OE2 3.9Å; R286-E299 PolarHBondContact NH1-OE2 3.49Å; M288-E299 HydrophobicContact CE-CB 4.21Å; M288-E299 HydrophobicContact SD-CB 3.98Å; M288-E299 HydrophobicContact SD-CG 4.45Å; E299-N301 PolarHBondContact O-N 2.88Å; E299-N301 PolarHBondContact O-ND2 3.23Å; E299-Q305 PolarHBondContact O-NE2 3.36Å; E299-Q305 VanDerWaalsContact O-NE2 3.12Å; E299-Q305 PolarHBondContact O-OE1 3.12Å
300L93.5Very high87.1Confident14 Ų1460 Ų607%0.07335%0.352CS..  trans-66.8112172.9-179.668.8000109I287 R310 I314I287-L300 HydrophobicContact CB-CB 4.07Å; I287-L300 HydrophobicContact CB-CD2 4.28Å; I287-L300 HydrophobicContact CD1-CD2 4.1Å; I287-L300 HydrophobicContact CG2-CB 4.2Å; I287-L300 HydrophobicContact CG2-CD2 4.16Å; I287-L300 WeakPolarHBondContact O-CB 3.39Å; I287-L300 PolarHBondContact O-N 3.2Å; L300-R310 HydrophobicContact CD1-CB 4.37Å; L300-R310 HydrophobicContact CD1-CG 3.93Å; L300-I314 HydrophobicContact CD2-CG1 4.07Å
301N90Very high86.9Confident26 Ų2658.5 Ų58.514%0.13935%0.345CS..  trans-148.4178.217654.961.3000110E299 H303 H304 Q305 R310E299-N301 PolarHBondContact O-N 2.88Å; E299-N301 PolarHBondContact O-ND2 3.23Å; N301-H303 VanDerWaalsContact C-N 3.29Å; N301-H303 PolarHBondContact O-N 2.91Å; N301-H303 WeakPolarHBondContact OD1-CB 3.34Å; N301-H303 PolarHBondContact OD1-N 3.02Å; N301-H304 PolarHBondContact ND2-ND1 3Å; N301-H304 VanDerWaalsContact ND2-ND1 3.1Å; N301-H304 PolarHBondContact OD1-N 3.42Å; N301-H304 PolarHBondContact OD1-ND1 3.5Å; N301-Q305 PolarHBondContact O-OE1 3.07Å; N301-R310 WeakPolarHBondContact O-CD 3.31Å
302D84.5Confident87Confident39 Ų3956.8 Ų56.821%0.20934%0.337CS..THydrogen-bonded Turntrans-82.8-1179.562.4-29.5000114.5R131 R310R131-D302 IonicContact CZ-OD2 3.53Å; R131-D302 VanDerWaalsContact CZ-OD2 3.23Å; R131-D302 IonicContact NE-OD2 2.64Å; R131-D302 PolarHBondContact NE-OD2 3.33Å; R131-D302 IonicContact NH2-OD2 3.45Å; R131-D302 PolarHBondContact NH2-OD2 2.94Å; D302-R310 VanDerWaalsContact CB-NH1 3.33Å
303H86.6Confident87.6Confident157 Ų15754.8 Ų54.873%0.72732%0.317SS*.THydrogen-bonded Turntrans-99.7-34.7-176.1-61.9-61.2000114N301N301-H303 VanDerWaalsContact C-N 3.29Å; N301-H303 PolarHBondContact O-N 2.91Å; N301-H303 WeakPolarHBondContact OD1-CB 3.34Å; N301-H303 PolarHBondContact OD1-N 3.02Å
304H84.3Confident88.4Confident102 Ų10248.3 Ų48.347%0.47227%0.272SS..THydrogen-bonded Turntrans-103.7-22.1-169.6-64.192.2000114.6N301N301-H304 PolarHBondContact ND2-ND1 3Å; N301-H304 VanDerWaalsContact ND2-ND1 3.1Å; N301-H304 PolarHBondContact OD1-N 3.42Å; N301-H304 PolarHBondContact OD1-ND1 3.5Å
305Q86.7Confident89.3Confident15 Ų1545 Ų457%0.0724%0.236CC..SBendtrans-112.1151-175.6-68.28223.700111.9V289 F291 E299 N301 E309 R310V289-Q305 HydrophobicContact CG2-CG 4.09Å; F291-Q305 HydrophobicContact CD2-CG 4.43Å; F291-Q305 HydrophobicContact CE2-CG 4.22Å; E299-Q305 PolarHBondContact O-NE2 3.36Å; E299-Q305 VanDerWaalsContact O-NE2 3.12Å; E299-Q305 PolarHBondContact O-OE1 3.12Å; N301-Q305 PolarHBondContact O-OE1 3.07Å; Q305-E309 VanDerWaalsContact CA-OE2 3.23Å; Q305-E309 WeakPolarHBondContact CA-OE2 3.48Å; Q305-E309 HydrophobicContact CB-CB 3.97Å; Q305-E309 WeakPolarHBondContact CB-OE2 3.36Å; Q305-E309 HydrophobicContact CG-CB 4.44Å; Q305-R310 HydrophobicContact CB-CG 3.81Å
306S88.3Confident90.1Very high58 Ų5843.5 Ų43.541%0.40622%0.22SC..  trans-66.7168.6173.181.20000112G308 E309 R310S306-G308 VanDerWaalsContact C-N 3.33Å; S306-G308 PolarHBondContact O-N 2.68Å; S306-G308 PolarHBondContact OG-N 3.1Å; S306-E309 PolarHBondContact N-OE2 2.89Å; S306-E309 WeakPolarHBondContact OG-CB 3.4Å; S306-E309 VanDerWaalsContact OG-CG 3.32Å; S306-E309 WeakPolarHBondContact OG-CG 3.31Å; S306-E309 PolarHBondContact OG-N 3.13Å; S306-R310 WeakPolarHBondContact O-CG 3.33Å; S306-R310 PolarHBondContact O-N 3.39Å; S306-R310 VanDerWaalsContact O-N 3.16Å; S306-R310 PolarHBondContact O-NE 3.12Å; S306-R310 VanDerWaalsContact O-NE 3.12Å
307G85.6Confident90.3Very high31 Ų3138 Ų3832%0.3219%0.187SC..Hα-helixtrans-54.9-49.2170.500000112R310 S311G307-R310 PolarHBondContact O-N 2.71Å; G307-S311 PolarHBondContact O-N 2.82Å; G307-S311 VanDerWaalsContact O-N 3.07Å; G307-S311 PolarHBondContact O-OG 2.76Å
308G88.3Confident90.1Very high1 Ų135.3 Ų35.31%0.0118%0.175CC..Hα-helixtrans-63.6-45.2179.700000114S306 R310 S311 V312 G338S306-G308 VanDerWaalsContact C-N 3.33Å; S306-G308 PolarHBondContact O-N 2.68Å; S306-G308 PolarHBondContact OG-N 3.1Å; G308-R310 VanDerWaalsContact C-N 3.28Å; G308-R310 PolarHBondContact O-N 3.13Å; G308-S311 WeakPolarHBondContact O-CB 3.08Å; G308-S311 PolarHBondContact O-N 2.77Å; G308-S311 VanDerWaalsContact O-N 3.15Å; G308-V312 WeakPolarHBondContact O-CG2 3.4Å; G308-V312 PolarHBondContact O-N 3.39Å; G308-G338 WeakPolarHBondContact CA-O 3.39Å; G308-G338 PolarHBondContact N-O 3.32Å
309E91.4Very high89.8Confident52 Ų5229.3 Ų29.324%0.24315%0.153CC..Hα-helixtrans-59.6-40177.4-7617616800111.9F291 Q305 S306 S313F291-E309 HydrophobicContact CD1-CB 4.45Å; F291-E309 HydrophobicContact CD1-CG 3.81Å; F291-E309 HydrophobicContact CD2-CB 4.08Å; F291-E309 HydrophobicContact CD2-CG 3.9Å; F291-E309 HydrophobicContact CE1-CB 4.04Å; F291-E309 HydrophobicContact CE1-CG 3.83Å; F291-E309 HydrophobicContact CE2-CB 3.63Å; F291-E309 HydrophobicContact CE2-CG 3.92Å; F291-E309 HydrophobicContact CG-CB 4.48Å; F291-E309 HydrophobicContact CG-CG 3.86Å; F291-E309 HydrophobicContact CZ-CB 3.61Å; F291-E309 HydrophobicContact CZ-CG 3.89Å; F291-E309 WeakPolarHBondContact CZ-O 3.47Å; Q305-E309 VanDerWaalsContact CA-OE2 3.23Å; Q305-E309 WeakPolarHBondContact CA-OE2 3.48Å; Q305-E309 HydrophobicContact CB-CB 3.97Å; Q305-E309 WeakPolarHBondContact CB-OE2 3.36Å; Q305-E309 HydrophobicContact CG-CB 4.44Å; S306-E309 PolarHBondContact N-OE2 2.89Å; S306-E309 WeakPolarHBondContact OG-CB 3.4Å; S306-E309 VanDerWaalsContact OG-CG 3.32Å; S306-E309 WeakPolarHBondContact OG-CG 3.31Å; S306-E309 PolarHBondContact OG-N 3.13Å; E309-S313 WeakPolarHBondContact O-CB 3.45Å; E309-S313 PolarHBondContact O-N 3.36Å; E309-S313 PolarHBondContact O-OG 3.4Å
310R91.2Very high89.5Confident38 Ų3826.5 Ų26.514%0.14314%0.14CC..Hα-helixtrans-64.1-47.3174.7-71.3178.7-68.8172.7-4.6111.2L300 N301 D302 Q305 S306 G307 G308 V312 S313 I314L300-R310 HydrophobicContact CD1-CB 4.37Å; L300-R310 HydrophobicContact CD1-CG 3.93Å; N301-R310 WeakPolarHBondContact O-CD 3.31Å; D302-R310 VanDerWaalsContact CB-NH1 3.33Å; Q305-R310 HydrophobicContact CB-CG 3.81Å; S306-R310 WeakPolarHBondContact O-CG 3.33Å; S306-R310 PolarHBondContact O-N 3.39Å; S306-R310 VanDerWaalsContact O-N 3.16Å; S306-R310 PolarHBondContact O-NE 3.12Å; S306-R310 VanDerWaalsContact O-NE 3.12Å; G307-R310 PolarHBondContact O-N 2.71Å; G308-R310 VanDerWaalsContact C-N 3.28Å; G308-R310 PolarHBondContact O-N 3.13Å; R310-V312 PolarHBondContact O-N 3.01Å; R310-S313 PolarHBondContact O-N 2.88Å; R310-I314 HydrophobicContact CB-CD1 4.48Å; R310-I314 WeakPolarHBondContact O-CB 3.3Å; R310-I314 WeakPolarHBondContact O-CD1 3.49Å; R310-I314 WeakPolarHBondContact O-CG1 3.36Å; R310-I314 PolarHBondContact O-N 2.87Å
311S90Very high89.3Confident3 Ų325.9 Ų25.92%0.02114%0.136CC..Hα-helixtrans-57.6-47.3176.6-69.30000112.4G307 G308 S313 I314 I315 I335G307-S311 PolarHBondContact O-N 2.82Å; G307-S311 VanDerWaalsContact O-N 3.07Å; G307-S311 PolarHBondContact O-OG 2.76Å; G308-S311 WeakPolarHBondContact O-CB 3.08Å; G308-S311 PolarHBondContact O-N 2.77Å; G308-S311 VanDerWaalsContact O-N 3.15Å; S311-S313 PolarHBondContact O-N 3.41Å; S311-I314 PolarHBondContact O-N 3.45Å; S311-I315 VanDerWaalsContact O-CG1 3.25Å; S311-I315 WeakPolarHBondContact O-CG1 3.1Å; S311-I315 PolarHBondContact O-N 2.94Å; S311-I335 WeakPolarHBondContact CB-O 3.38Å; S311-I335 PolarHBondContact OG-O 3.41Å
312V92Very high88.8Confident0 Ų024.9 Ų24.90%013%0.131CC..Hα-helixtrans-55.7-52.9175.5173.60000110.1L262 G308 R310 I314 I315 L316 M339 N343 V347L262-V312 HydrophobicContact CD2-CG1 3.72Å; G308-V312 WeakPolarHBondContact O-CG2 3.4Å; G308-V312 PolarHBondContact O-N 3.39Å; R310-V312 PolarHBondContact O-N 3.01Å; V312-I314 VanDerWaalsContact C-N 3.31Å; V312-I314 PolarHBondContact O-N 3.05Å; V312-I315 PolarHBondContact O-N 3.15Å; V312-L316 HydrophobicContact CG1-CD1 3.99Å; V312-L316 HydrophobicContact CG1-CG 4.33Å; V312-L316 VanDerWaalsContact O-CG 3.31Å; V312-L316 WeakPolarHBondContact O-CG 3.4Å; V312-L316 PolarHBondContact O-N 2.97Å; V312-M339 HydrophobicContact CB-CE 4.34Å; V312-M339 HydrophobicContact CG2-CE 3.51Å; V312-M339 HydrophobicContact CG2-CG 4.05Å; V312-M339 HydrophobicContact CG2-SD 3.55Å; V312-M339 VanDerWaalsContact CG2-SD 3.55Å; V312-N343 HydrophobicContact CG2-CB 3.92Å; V312-V347 HydrophobicContact CB-CG2 4.37Å; V312-V347 HydrophobicContact CG1-CG2 4.06Å; V312-V347 HydrophobicContact CG2-CG2 3.96Å
313S93.9Very high88.1Confident0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-58.8-42.3-177.8-54.30000112.2F255 F291 E309 R310 S311 Y317F255-S313 WeakPolarHBondContact CE2-O 3.5Å; F291-S313 WeakPolarHBondContact CZ-OG 3.27Å; E309-S313 WeakPolarHBondContact O-CB 3.45Å; E309-S313 PolarHBondContact O-N 3.36Å; E309-S313 PolarHBondContact O-OG 3.4Å; R310-S313 PolarHBondContact O-N 2.88Å; S311-S313 PolarHBondContact O-N 3.41Å; S313-Y317 VanDerWaalsContact O-CB 3.22Å; S313-Y317 WeakPolarHBondContact O-CB 3.46Å; S313-Y317 PolarHBondContact O-N 3.28Å
314I92.6Very high87.7Confident0 Ų019.4 Ų19.40%011%0.105CC..Hα-helixtrans-69.9-43.1-178.3-67.2164.8000110.9L121 V126 F129 L300 R310 S311 V312 Y317 M318 I335L121-I314 HydrophobicContact CD2-CG2 3.55Å; V126-I314 HydrophobicContact CG1-CD1 3.59Å; V126-I314 WeakPolarHBondContact O-CD1 3.42Å; F129-I314 HydrophobicContact CB-CD1 3.97Å; F129-I314 HydrophobicContact CD1-CB 4.48Å; F129-I314 HydrophobicContact CD1-CD1 3.8Å; F129-I314 HydrophobicContact CD1-CG1 3.57Å; F129-I314 HydrophobicContact CD1-CG2 4.17Å; F129-I314 HydrophobicContact CD2-CG2 4.16Å; F129-I314 HydrophobicContact CE1-CG1 3.99Å; F129-I314 HydrophobicContact CE1-CG2 4.39Å; F129-I314 HydrophobicContact CE2-CG2 4.4Å; F129-I314 HydrophobicContact CG-CD1 4.07Å; F129-I314 HydrophobicContact CG-CG1 4.13Å; F129-I314 HydrophobicContact CG-CG2 4.07Å; L300-I314 HydrophobicContact CD2-CG1 4.07Å; R310-I314 HydrophobicContact CB-CD1 4.48Å; R310-I314 WeakPolarHBondContact O-CB 3.3Å; R310-I314 WeakPolarHBondContact O-CD1 3.49Å; R310-I314 WeakPolarHBondContact O-CG1 3.36Å; R310-I314 PolarHBondContact O-N 2.87Å; S311-I314 PolarHBondContact O-N 3.45Å; V312-I314 VanDerWaalsContact C-N 3.31Å; V312-I314 PolarHBondContact O-N 3.05Å; I314-Y317 PolarHBondContact O-N 2.88Å; I314-M318 HydrophobicContact CG2-SD 4.37Å; I314-M318 WeakPolarHBondContact O-CG 3.4Å; I314-M318 PolarHBondContact O-N 3.35Å; I314-I335 HydrophobicContact CG2-CD1 4.13Å
315I89.6Confident87.1Confident8 Ų814.8 Ų14.84%0.0419%0.085CC..Hα-helixtrans-60.2-50.2176-67.4166.1000110.2S311 V312 Y317 M318 F319 I335 M339 V347 M351S311-I315 VanDerWaalsContact O-CG1 3.25Å; S311-I315 WeakPolarHBondContact O-CG1 3.1Å; S311-I315 PolarHBondContact O-N 2.94Å; V312-I315 PolarHBondContact O-N 3.15Å; I315-Y317 VanDerWaalsContact C-N 3.28Å; I315-Y317 PolarHBondContact O-N 3.42Å; I315-M318 PolarHBondContact O-N 3.28Å; I315-M318 VanDerWaalsContact O-N 3.17Å; I315-F319 HydrophobicContact CG2-CD2 3.78Å; I315-F319 HydrophobicContact CG2-CE1 4.36Å; I315-F319 HydrophobicContact CG2-CE2 3.29Å; I315-F319 HydrophobicContact CG2-CZ 3.61Å; I315-F319 WeakPolarHBondContact O-CG 3.3Å; I315-F319 PolarHBondContact O-N 2.93Å; I315-I335 HydrophobicContact CD1-CB 4.33Å; I315-I335 HydrophobicContact CD1-CD1 4.08Å; I315-I335 HydrophobicContact CD1-CG1 3.84Å; I315-I335 HydrophobicContact CD1-CG2 3.59Å; I315-I335 HydrophobicContact CG1-CB 4.43Å; I315-I335 HydrophobicContact CG1-CD1 3.36Å; I315-I335 HydrophobicContact CG1-CG1 3.72Å; I315-I335 HydrophobicContact CG1-CG2 3.91Å; I315-M339 HydrophobicContact CD1-CE 3.9Å; I315-V347 HydrophobicContact CB-CG1 4.21Å; I315-V347 HydrophobicContact CD1-CG1 3.7Å; I315-V347 HydrophobicContact CG2-CG1 3.59Å; I315-M351 HydrophobicContact CG2-CE 4.32Å
316L92.2Very high86Confident0 Ų017.3 Ų17.30%010%0.101CC..Hα-helixtrans-65.1-33.8-179.5-63.3-171.9000112.1F255 L258 M259 L262 V312 F319 A320 L350F255-L316 HydrophobicContact CD2-CB 4.17Å; F255-L316 HydrophobicContact CE2-CB 3.87Å; L258-L316 HydrophobicContact CB-CB 4.35Å; L258-L316 HydrophobicContact CB-CD1 4.36Å; L258-L316 HydrophobicContact CB-CD2 4.21Å; L258-L316 WeakPolarHBondContact CD1-O 3.23Å; M259-L316 HydrophobicContact CG-CD1 4.05Å; M259-L316 HydrophobicContact SD-CD1 3.57Å; M259-L316 VanDerWaalsContact SD-CD1 3.57Å; L262-L316 HydrophobicContact CD1-CD1 4.12Å; L262-L316 HydrophobicContact CD1-CD2 4.27Å; L262-L316 HydrophobicContact CD2-CD1 4.09Å; V312-L316 HydrophobicContact CG1-CD1 3.99Å; V312-L316 HydrophobicContact CG1-CG 4.33Å; V312-L316 VanDerWaalsContact O-CG 3.31Å; V312-L316 WeakPolarHBondContact O-CG 3.4Å; V312-L316 PolarHBondContact O-N 2.97Å; L316-F319 HydrophobicContact CD2-CD2 4.14Å; L316-F319 PolarHBondContact O-N 2.96Å; L316-A320 PolarHBondContact O-N 2.77Å; L316-L350 HydrophobicContact CD2-CD2 3.67Å
317Y93.9Very high85.3Confident0 Ų014.7 Ų14.70%08%0.082CC..Hα-helixtrans-64.4-47.4172.2-178.7-100.1000111.6F129 L137 T141 I251 V268 L285 I287 S313 I314 I315 F319 A320 L321F129-Y317 HydrophobicContact CE1-CD1 4.36Å; F129-Y317 HydrophobicContact CE2-CD1 4.49Å; F129-Y317 AromaticContact CZ-CD1 3.61Å; F129-Y317 HydrophobicContact CZ-CD1 3.61Å; F129-Y317 AromaticContact CZ-CE1 3.83Å; F129-Y317 HydrophobicContact CZ-CE1 3.83Å; L137-Y317 HydrophobicContact CD1-CE1 4.16Å; T141-Y317 WeakPolarHBondContact CB-OH 3.25Å; T141-Y317 WeakPolarHBondContact CG2-OH 3.34Å; T141-Y317 PolarHBondContact OG1-OH 2.76Å; I251-Y317 HydrophobicContact CG2-CD2 4.23Å; I251-Y317 HydrophobicContact CG2-CE2 3.74Å; V268-Y317 HydrophobicContact CG1-CE2 4.45Å; V268-Y317 HydrophobicContact CG2-CD2 4.1Å; V268-Y317 HydrophobicContact CG2-CE2 3.95Å; L285-Y317 HydrophobicContact CD2-CE2 4.42Å; L285-Y317 WeakPolarHBondContact CD2-OH 3.29Å; I287-Y317 HydrophobicContact CD1-CD1 4.01Å; I287-Y317 HydrophobicContact CD1-CD2 3.54Å; I287-Y317 HydrophobicContact CD1-CE1 4.24Å; I287-Y317 HydrophobicContact CD1-CE2 3.8Å; I287-Y317 HydrophobicContact CD1-CG 3.65Å; I287-Y317 HydrophobicContact CG1-CD2 3.81Å; I287-Y317 HydrophobicContact CG1-CE2 3.87Å; I287-Y317 HydrophobicContact CG1-CG 4.42Å; S313-Y317 VanDerWaalsContact O-CB 3.22Å; S313-Y317 WeakPolarHBondContact O-CB 3.46Å; S313-Y317 PolarHBondContact O-N 3.28Å; I314-Y317 PolarHBondContact O-N 2.88Å; I315-Y317 VanDerWaalsContact C-N 3.28Å; I315-Y317 PolarHBondContact O-N 3.42Å; Y317-F319 VanDerWaalsContact C-N 3.25Å; Y317-F319 PolarHBondContact O-N 2.87Å; Y317-A320 WeakPolarHBondContact O-CB 3.46Å; Y317-A320 PolarHBondContact O-N 2.77Å; Y317-A320 VanDerWaalsContact O-N 3.08Å; Y317-L321 HydrophobicContact CD1-CD1 4.24Å; Y317-L321 HydrophobicContact CD1-CG 4.46Å; Y317-L321 HydrophobicContact CE1-CD1 3.72Å; Y317-L321 HydrophobicContact CE1-CD2 4.31Å; Y317-L321 HydrophobicContact CE1-CG 4.11Å; Y317-L321 WeakPolarHBondContact O-CG 3.46Å; Y317-L321 PolarHBondContact O-N 2.96Å; Y317-L321 VanDerWaalsContact O-N 3.12Å
318M89Confident84.8Confident3 Ų313.7 Ų13.72%0.0157%0.07CC..Hα-helixtrans-58.9-37.7176-73.4-178.464.500112L121 I314 I315 L321 Q322 V332L121-M318 HydrophobicContact CB-SD 4.41Å; L121-M318 HydrophobicContact CD2-SD 3.79Å; I314-M318 HydrophobicContact CG2-SD 4.37Å; I314-M318 WeakPolarHBondContact O-CG 3.4Å; I314-M318 PolarHBondContact O-N 3.35Å; I315-M318 PolarHBondContact O-N 3.28Å; I315-M318 VanDerWaalsContact O-N 3.17Å; M318-L321 WeakPolarHBondContact O-CB 3.22Å; M318-L321 PolarHBondContact O-N 2.81Å; M318-Q322 PolarHBondContact O-N 3.25Å; M318-V332 HydrophobicContact CE-CG2 3.72Å; M318-V332 HydrophobicContact SD-CG2 4.36Å
319F87.1Confident84.6Confident9 Ų914 Ų144%0.0397%0.072CC..Hα-helixtrans-68.8-37173.5-66.4-26.2000113.4L258 I315 L316 Y317 L321 Q322 M351 M354 Y369L258-F319 HydrophobicContact CD1-CB 3.78Å; I315-F319 HydrophobicContact CG2-CD2 3.78Å; I315-F319 HydrophobicContact CG2-CE1 4.36Å; I315-F319 HydrophobicContact CG2-CE2 3.29Å; I315-F319 HydrophobicContact CG2-CZ 3.61Å; I315-F319 WeakPolarHBondContact O-CG 3.3Å; I315-F319 PolarHBondContact O-N 2.93Å; L316-F319 HydrophobicContact CD2-CD2 4.14Å; L316-F319 PolarHBondContact O-N 2.96Å; Y317-F319 VanDerWaalsContact C-N 3.25Å; Y317-F319 PolarHBondContact O-N 2.87Å; F319-L321 PolarHBondContact O-N 2.99Å; F319-Q322 WeakPolarHBondContact O-CB 3.25Å; F319-Q322 PolarHBondContact O-N 3.43Å; F319-M351 HydrophobicContact CE1-CE 4.32Å; F319-M351 HydrophobicContact CE1-CG 4.26Å; F319-M351 HydrophobicContact CE2-CB 3.94Å; F319-M351 HydrophobicContact CE2-CE 4.34Å; F319-M351 HydrophobicContact CE2-CG 4.35Å; F319-M351 HydrophobicContact CZ-CB 3.62Å; F319-M351 HydrophobicContact CZ-CE 3.5Å; F319-M351 VanDerWaalsContact CZ-CE 3.5Å; F319-M351 HydrophobicContact CZ-CG 3.53Å; F319-M351 HydrophobicContact CZ-SD 4.22Å; F319-M354 HydrophobicContact CB-CE 3.53Å; F319-M354 HydrophobicContact CD1-CE 4.12Å; F319-M354 HydrophobicContact CD2-CE 3.1Å; F319-M354 HydrophobicContact CE2-CE 3.66Å; F319-M354 HydrophobicContact CG-CE 3.35Å; F319-M354 HydrophobicContact CZ-CE 4.39Å; F319-Y369 HydrophobicContact CD1-CE1 4.15Å; F319-Y369 AromaticContact CD1-CZ 3.93Å; F319-Y369 HydrophobicContact CE1-CD1 4.37Å; F319-Y369 AromaticContact CE1-CE1 3.71Å; F319-Y369 HydrophobicContact CE1-CE1 3.71Å; F319-Y369 AromaticContact CE1-CZ 3.89Å
320A89.6Confident84.4Confident1 Ų111.5 Ų11.51%0.0086%0.06CC..Hα-helixtrans-61.3-30173.400000112.1I251 R254 F255 L258 L316 Y317 Q322I251-A320 HydrophobicContact CG2-CB 4.1Å; R254-A320 HydrophobicContact CB-CB 3.93Å; R254-A320 WeakPolarHBondContact CD-O 3.33Å; F255-A320 HydrophobicContact CB-CB 3.88Å; L258-A320 HydrophobicContact CD1-CB 4.36Å; L316-A320 PolarHBondContact O-N 2.77Å; Y317-A320 WeakPolarHBondContact O-CB 3.46Å; Y317-A320 PolarHBondContact O-N 2.77Å; Y317-A320 VanDerWaalsContact O-N 3.08Å; A320-Q322 VanDerWaalsContact C-N 3.34Å
321L87.9Confident84.3Confident0 Ų09.7 Ų9.70%05%0.053CC..Hα-helixtrans-74.9-21.6174.1-59-175.1000113.6C118 T141 V145 I251 Y317 M318 F319 Q323 L324 S325C118-L321 HydrophobicContact CB-CD1 3.88Å; T141-L321 HydrophobicContact CG2-CD2 3.77Å; V145-L321 HydrophobicContact CG2-CD2 4.29Å; I251-L321 HydrophobicContact CD1-CD2 3.53Å; I251-L321 HydrophobicContact CG1-CD2 3.79Å; I251-L321 HydrophobicContact CG2-CD2 4.06Å; Y317-L321 HydrophobicContact CD1-CD1 4.24Å; Y317-L321 HydrophobicContact CD1-CG 4.46Å; Y317-L321 HydrophobicContact CE1-CD1 3.72Å; Y317-L321 HydrophobicContact CE1-CD2 4.31Å; Y317-L321 HydrophobicContact CE1-CG 4.11Å; Y317-L321 WeakPolarHBondContact O-CG 3.46Å; Y317-L321 PolarHBondContact O-N 2.96Å; Y317-L321 VanDerWaalsContact O-N 3.12Å; M318-L321 WeakPolarHBondContact O-CB 3.22Å; M318-L321 PolarHBondContact O-N 2.81Å; F319-L321 PolarHBondContact O-N 2.99Å; L321-Q323 PolarHBondContact O-N 2.83Å; L321-L324 WeakPolarHBondContact O-CA 3.36Å; L321-L324 PolarHBondContact O-N 2.64Å; L321-S325 PolarHBondContact O-N 3.16Å; L321-S325 PolarHBondContact O-OG 2.96Å; L321-S325 VanDerWaalsContact O-OG 3.08Å
322Q80.3Confident84.2Confident6 Ų610.1 Ų10.13%0.0286%0.056CC..Hα-helixtrans-57.8-42.3-165.4-177.243.439.400113.4M318 F319 A320 L324 S325 L364 T367 Y369M318-Q322 PolarHBondContact O-N 3.25Å; F319-Q322 WeakPolarHBondContact O-CB 3.25Å; F319-Q322 PolarHBondContact O-N 3.43Å; A320-Q322 VanDerWaalsContact C-N 3.34Å; Q322-L324 VanDerWaalsContact C-N 3.3Å; Q322-L324 PolarHBondContact O-N 3.42Å; Q322-S325 VanDerWaalsContact O-O 3.09Å; Q322-S325 PolarHBondContact O-OG 3.18Å; Q322-L364 HydrophobicContact CB-CD2 4.02Å; Q322-L364 HydrophobicContact CG-CD2 3.74Å; Q322-L364 PolarHBondContact NE2-O 3.25Å; Q322-T367 PolarHBondContact NE2-OG1 2.89Å; Q322-Y369 HydrophobicContact CG-CE2 4.1Å; Q322-Y369 VanDerWaalsContact OE1-CE2 3.32Å; Q322-Y369 PolarHBondContact OE1-OH 2.81Å
323Q70.1Confident84Confident37 Ų3710.4 Ų10.417%0.1736%0.057CC..THydrogen-bonded Turntrans-75.4-17176.6-72.4-161.613.200114.6R254 L321 L364R254-Q323 VanDerWaalsContact CZ-CD 3.48Å; R254-Q323 VanDerWaalsContact NH1-NE2 3.16Å; L321-Q323 PolarHBondContact O-N 2.83Å; Q323-L364 HydrophobicContact CG-CB 4.48Å; Q323-L364 HydrophobicContact CG-CD1 4.13Å; Q323-L364 HydrophobicContact CG-CD2 3.47Å; Q323-L364 VanDerWaalsContact CG-CD2 3.47Å; Q323-L364 HydrophobicContact CG-CG 3.38Å
324L76.7Confident83.4Confident43 Ų4310.9 Ų10.923%0.2256%0.059CC..THydrogen-bonded Turntrans-95-30.7-175.7-57.7172.5000110.3V145 L247 I251 L321 Q322V145-L324 HydrophobicContact CG1-CB 3.94Å; V145-L324 WeakPolarHBondContact CG1-O 3.18Å; V145-L324 HydrophobicContact CG2-CB 3.94Å; L247-L324 HydrophobicContact CD1-CD1 3.99Å; I251-L324 HydrophobicContact CB-CD1 4.46Å; I251-L324 HydrophobicContact CD1-CD1 4.43Å; I251-L324 HydrophobicContact CG1-CD1 3.41Å; I251-L324 VanDerWaalsContact CG1-CD1 3.41Å; L321-L324 WeakPolarHBondContact O-CA 3.36Å; L321-L324 PolarHBondContact O-N 2.64Å; Q322-L324 VanDerWaalsContact C-N 3.3Å; Q322-L324 PolarHBondContact O-N 3.42Å
325S71.7Confident82.6Confident5 Ų510.9 Ų10.94%0.0356%0.059CC..  trans-90.4132.2176.761.60000112A144 L321 Q322 R330A144-S325 VanDerWaalsContact O-CB 3.31Å; A144-S325 WeakPolarHBondContact O-CB 2.82Å; L321-S325 PolarHBondContact O-N 3.16Å; L321-S325 PolarHBondContact O-OG 2.96Å; L321-S325 VanDerWaalsContact O-OG 3.08Å; Q322-S325 VanDerWaalsContact O-O 3.09Å; Q322-S325 PolarHBondContact O-OG 3.18Å; S325-R330 PolarHBondContact OG-NH2 3.45Å
326V65.5Low81.9Confident68 Ų6811.4 Ų11.441%0.4126%0.062SC..  trans-104.195164.3-169.90000107.5
327V73.2Confident81Confident3 Ų315.8 Ų15.82%0.0188%0.083CC..  trans-126.8145.5175.3-58.60000108.2Q119 R330 T367Q119-V327 HydrophobicContact CG-CG1 4.27Å; V327-R330 HydrophobicContact CG2-CG 3.93Å; V327-T367 HydrophobicContact CG2-CG2 3.65Å; V327-T367 WeakPolarHBondContact O-CB 3.37Å; V327-T367 VanDerWaalsContact O-CG2 3.3Å; V327-T367 WeakPolarHBondContact O-CG2 3.04Å; V327-T367 PolarHBondContact O-OG1 2.82Å
328P74.8Confident80.1Confident10 Ų1018.5 Ų18.57%0.06511%0.11CC..SBendtrans-67.3-39.7-176.523.8-31.9000111.7Y110 I112 Q368Y110-P328 VanDerWaalsContact O-CD 3.26Å; Y110-P328 WeakPolarHBondContact O-CD 3.41Å; I112-P328 HydrophobicContact CD1-CG 3.78Å; I112-P328 HydrophobicContact CG1-CG 3.45Å; I112-P328 VanDerWaalsContact CG1-CG 3.45Å; P328-Q368 WeakPolarHBondContact O-CB 3.5Å; P328-Q368 PolarHBondContact O-N 2.84Å
329F83.8Confident79.9Confident8 Ų819 Ų194%0.03511%0.113CC..EExtended strand (participates in β ladder)trans-147.7163.5179.371.7-83000112.8V7 F49 I112 C331 Q368V7-F329 HydrophobicContact CB-CD1 4.23Å; V7-F329 HydrophobicContact CG2-CB 4.21Å; V7-F329 HydrophobicContact CG2-CD1 3.35Å; V7-F329 HydrophobicContact CG2-CE1 3.97Å; V7-F329 HydrophobicContact CG2-CG 4Å; F49-F329 HydrophobicContact CD2-CE1 4.03Å; F49-F329 AromaticContact CD2-CZ 3.61Å; F49-F329 HydrophobicContact CD2-CZ 3.61Å; F49-F329 AromaticContact CE2-CE1 3.5Å; F49-F329 HydrophobicContact CE2-CE1 3.5Å; F49-F329 VanDerWaalsContact CE2-CE1 3.5Å; F49-F329 AromaticContact CE2-CZ 3.42Å; F49-F329 HydrophobicContact CE2-CZ 3.42Å; F49-F329 VanDerWaalsContact CE2-CZ 3.42Å; F49-F329 AromaticContact CZ-CE1 3.91Å; F49-F329 HydrophobicContact CZ-CE1 3.91Å; F49-F329 HydrophobicContact CZ-CZ 4.28Å; I112-F329 HydrophobicContact CD1-CE1 4.12Å; I112-F329 HydrophobicContact CG1-CE1 4.24Å; I112-F329 HydrophobicContact CG2-CE1 3.9Å; I112-F329 HydrophobicContact CG2-CZ 3.95Å; F329-C331 WeakPolarHBondContact CD2-SG 3.35Å; F329-C331 VanDerWaalsContact CE2-SG 3.57Å; F329-Q368 CarbonylContact C-O 3.6Å; F329-Q368 WeakPolarHBondContact CA-O 3.27Å; F329-Q368 HydrophobicContact CB-CB 4.09Å
330R87.7Confident80Confident0 Ų021.7 Ų21.70%013%0.128CC..EExtended strand (participates in β ladder)trans-131.6137.6170-69.4169.2174.5-75.56.1109.3C118 Q119 S325 V327 T367 Q368 Y369 I370C118-R330 PolarHBondContact O-NH1 3.04Å; Q119-R330 WeakPolarHBondContact O-CA 3.3Å; S325-R330 PolarHBondContact OG-NH2 3.45Å; V327-R330 HydrophobicContact CG2-CG 3.93Å; R330-T367 HydrophobicContact CG-CG2 3.89Å; R330-Q368 PolarHBondContact N-O 2.93Å; R330-Y369 HydrophobicContact CB-CD1 4.13Å; R330-Y369 HydrophobicContact CB-CE1 4.01Å; R330-Y369 HydrophobicContact CB-CG 4.48Å; R330-Y369 WeakPolarHBondContact CD-OH 3.38Å; R330-I370 PolarHBondContact O-N 2.7Å
331C88.2Confident79.8Confident0 Ų026.4 Ų26.40%016%0.158CC..EExtended strand (participates in β ladder)trans-117.2130.7177.5-67.70000110.7M42 L45 Q119 F120 L121 F329 I370 F372M42-C331 HydrophobicContact CE-CB 4.26Å; L45-C331 VanDerWaalsContact CD1-SG 3.52Å; Q119-C331 PolarHBondContact O-N 3.33Å; F120-C331 HydrophobicContact CD2-CB 3.68Å; F120-C331 HydrophobicContact CE2-CB 3.64Å; F120-C331 HydrophobicContact CZ-CB 4.44Å; L121-C331 PolarHBondContact N-O 3.42Å; F329-C331 WeakPolarHBondContact CD2-SG 3.35Å; F329-C331 VanDerWaalsContact CE2-SG 3.57Å; C331-I370 WeakPolarHBondContact CA-O 3.35Å; C331-F372 HydrophobicContact CB-CE2 4.31Å
332V88.1Confident79.8Confident12 Ų1232.2 Ų32.27%0.07319%0.185CC..EExtended strand (participates in β ladder)trans-133.2122.8178.9-172.60000108.9M318 I335 I370 M371 F372M318-V332 HydrophobicContact CE-CG2 3.72Å; M318-V332 HydrophobicContact SD-CG2 4.36Å; V332-I335 HydrophobicContact CG1-CB 3.5Å; V332-I335 HydrophobicContact CG1-CD1 3.84Å; V332-I335 HydrophobicContact CG1-CG1 4.31Å; V332-I335 HydrophobicContact CG1-CG2 3.36Å; V332-I370 PolarHBondContact N-O 3.15Å; V332-M371 CarbonylContact O-C 3.11Å; V332-M371 WeakPolarHBondContact O-CA 3.34Å; V332-F372 WeakPolarHBondContact O-CD2 2.89Å; V332-F372 PolarHBondContact O-N 3.36Å
333D87.1Confident80.2Confident5 Ų532.3 Ų32.33%0.02719%0.186CC..EExtended strand (participates in β ladder)trans-112.6122.6-177.9-172.623.3000110.8S39 M42 L121 Q123 I335 F372S39-D333 WeakPolarHBondContact CB-OD2 3.27Å; S39-D333 PolarHBondContact OG-OD2 3.2Å; M42-D333 HydrophobicContact CE-CB 4.09Å; M42-D333 HydrophobicContact SD-CB 3.31Å; M42-D333 WeakPolarHBondContact SD-CB 3.36Å; L121-D333 PolarHBondContact O-N 3.37Å; Q123-D333 WeakPolarHBondContact CA-O 3.43Å; Q123-D333 HydrophobicContact CB-CB 4.5Å; D333-I335 PolarHBondContact O-N 3.25Å; D333-F372 HydrophobicContact CB-CB 4.27Å; D333-F372 HydrophobicContact CB-CD2 4.12Å; D333-F372 WeakPolarHBondContact OD1-CB 3Å
334E82.3Confident81.1Confident10 Ų1032.3 Ų32.35%0.04719%0.186CC..SBendtrans51.229.5171.1-70.2-158.7-164.200115.2Q123 N336 Q337 F372Q123-E334 HydrophobicContact CB-CB 4.2Å; Q123-E334 HydrophobicContact CG-CB 3.74Å; Q123-E334 PolarHBondContact NE2-OE2 3.04Å; E334-N336 PolarHBondContact O-N 2.8Å; E334-N336 VanDerWaalsContact O-N 3.15Å; E334-Q337 HydrophobicContact CB-CG 3.74Å; E334-Q337 HydrophobicContact CG-CG 4.33Å; E334-Q337 VanDerWaalsContact O-CB 3.3Å; E334-Q337 WeakPolarHBondContact O-CB 3.39Å; E334-Q337 VanDerWaalsContact O-CG 3.31Å; E334-Q337 WeakPolarHBondContact O-CG 3.42Å; E334-Q337 PolarHBondContact O-N 2.75Å; E334-Q337 WeakPolarHBondContact OE2-CG 3.3Å; E334-Q337 PolarHBondContact OE2-NE2 2.9Å; E334-F372 PolarHBondContact N-O 3.39Å
335I75.6Confident81.6Confident0 Ų034.4 Ų34.40%019%0.191CC..THydrogen-bonded Turntrans-63.1-24.3-179.3-168.3153.9000113.1L121 V126 S311 I314 I315 V332 D333 Q337 M371L121-I335 HydrophobicContact CD2-CD1 3.43Å; L121-I335 VanDerWaalsContact CD2-CD1 3.43Å; V126-I335 HydrophobicContact CG2-CD1 4.46Å; V126-I335 HydrophobicContact CG2-CG1 4.09Å; S311-I335 WeakPolarHBondContact CB-O 3.38Å; S311-I335 PolarHBondContact OG-O 3.41Å; I314-I335 HydrophobicContact CG2-CD1 4.13Å; I315-I335 HydrophobicContact CD1-CB 4.33Å; I315-I335 HydrophobicContact CD1-CD1 4.08Å; I315-I335 HydrophobicContact CD1-CG1 3.84Å; I315-I335 HydrophobicContact CD1-CG2 3.59Å; I315-I335 HydrophobicContact CG1-CB 4.43Å; I315-I335 HydrophobicContact CG1-CD1 3.36Å; I315-I335 HydrophobicContact CG1-CG1 3.72Å; I315-I335 HydrophobicContact CG1-CG2 3.91Å; V332-I335 HydrophobicContact CG1-CB 3.5Å; V332-I335 HydrophobicContact CG1-CD1 3.84Å; V332-I335 HydrophobicContact CG1-CG1 4.31Å; V332-I335 HydrophobicContact CG1-CG2 3.36Å; D333-I335 PolarHBondContact O-N 3.25Å; I335-Q337 PolarHBondContact O-N 3.01Å; I335-M371 HydrophobicContact CG2-CE 4.16Å
336N75Confident82.5Confident19 Ų1937.4 Ų37.410%0.10220%0.203CC..THydrogen-bonded Turntrans-75.6-8.6177.159-45.7000113.3E334 G338 M339 E344 M371 T373E334-N336 PolarHBondContact O-N 2.8Å; E334-N336 VanDerWaalsContact O-N 3.15Å; N336-G338 PolarHBondContact O-N 3.07Å; N336-G338 VanDerWaalsContact O-N 3.13Å; N336-M339 WeakPolarHBondContact O-CB 3.37Å; N336-M339 PolarHBondContact O-N 2.68Å; N336-M339 VanDerWaalsContact O-N 3.1Å; N336-E344 HydrophobicContact CB-CG 4.02Å; N336-E344 PolarHBondContact ND2-OE1 3.11Å; N336-M371 HydrophobicContact CB-CE 4.43Å; N336-T373 PolarHBondContact ND2-OG1 2.85Å; N336-T373 PolarHBondContact OD1-OG1 3.44Å; N336-T373 VanDerWaalsContact OD1-OG1 3.05Å
337Q72.8Confident83.6Confident93 Ų9334.4 Ų34.444%0.43519%0.185SC..THydrogen-bonded Turntrans-66.5112.9176.6-66.7-7513.500111.2E334 I335 P374E334-Q337 HydrophobicContact CB-CG 3.74Å; E334-Q337 HydrophobicContact CG-CG 4.33Å; E334-Q337 VanDerWaalsContact O-CB 3.3Å; E334-Q337 WeakPolarHBondContact O-CB 3.39Å; E334-Q337 VanDerWaalsContact O-CG 3.31Å; E334-Q337 WeakPolarHBondContact O-CG 3.42Å; E334-Q337 PolarHBondContact O-N 2.75Å; E334-Q337 WeakPolarHBondContact OE2-CG 3.3Å; E334-Q337 PolarHBondContact OE2-NE2 2.9Å; I335-Q337 PolarHBondContact O-N 3.01Å; Q337-P374 VanDerWaalsContact NE2-CG 3.34Å
338G75.6Confident84.2Confident56 Ų5635.1 Ų35.158%0.57719%0.188SC*.THydrogen-bonded Turntrans101.1-1.4-178.500000114.3G308 N336G308-G338 WeakPolarHBondContact CA-O 3.39Å; G308-G338 PolarHBondContact N-O 3.32Å; N336-G338 PolarHBondContact O-N 3.07Å; N336-G338 VanDerWaalsContact O-N 3.13Å
339M85.8Confident84.8Confident15 Ų1536.9 Ų36.97%0.07420%0.197CC..  trans-78.1139.9166.7-160171.7-56.300110V312 I315 N336 N343 E344 V347V312-M339 HydrophobicContact CB-CE 4.34Å; V312-M339 HydrophobicContact CG2-CE 3.51Å; V312-M339 HydrophobicContact CG2-CG 4.05Å; V312-M339 HydrophobicContact CG2-SD 3.55Å; V312-M339 VanDerWaalsContact CG2-SD 3.55Å; I315-M339 HydrophobicContact CD1-CE 3.9Å; N336-M339 WeakPolarHBondContact O-CB 3.37Å; N336-M339 PolarHBondContact O-N 2.68Å; N336-M339 VanDerWaalsContact O-N 3.1Å; M339-N343 HydrophobicContact CG-CB 3.53Å; M339-N343 HydrophobicContact SD-CB 3.8Å; M339-E344 HydrophobicContact CB-CB 4.38Å; M339-E344 HydrophobicContact CG-CB 4.2Å; M339-E344 WeakPolarHBondContact SD-CA 3.18Å; M339-E344 HydrophobicContact SD-CB 4.09Å; M339-E344 PolarHBondContact SD-N 2.87Å; M339-V347 HydrophobicContact CE-CG2 4.24Å; M339-V347 HydrophobicContact SD-CB 4.32Å; M339-V347 HydrophobicContact SD-CG2 3.91Å
340D87.2Confident84.9Confident65 Ų6537.2 Ų37.235%0.34820%0.199SC..  trans-69.9155.9169.561.379.1000110.7E342 N343 E344D340-E342 PolarHBondContact O-N 2.83Å; D340-E342 VanDerWaalsContact O-N 3.13Å; D340-E342 WeakPolarHBondContact OD1-CB 3.5Å; D340-E342 PolarHBondContact OD1-N 2.83Å; D340-E342 VanDerWaalsContact OD1-N 3.16Å; D340-N343 PolarHBondContact O-N 2.88Å; D340-N343 WeakPolarHBondContact OD1-CB 3.01Å; D340-N343 PolarHBondContact OD1-N 2.7Å; D340-N343 PolarHBondContact OD2-ND2 2.75Å; D340-E344 WeakPolarHBondContact O-CB 3.32Å; D340-E344 PolarHBondContact O-N 3Å
341P86.6Confident84.7Confident100 Ų10037.7 Ų37.765%0.64920%0.201SC*.Hα-helixtrans-59.7-26.3-175.8-26.635.5000115.1R345P341-R345 WeakPolarHBondContact O-CB 3.3Å; P341-R345 PolarHBondContact O-N 3.47Å
342E87.9Confident84.5Confident122 Ų12238.1 Ų38.157%0.5720%0.204SC*.Hα-helixtrans-73-51179.9-176-175.2162.500110.4D340 E344 R345 K346D340-E342 PolarHBondContact O-N 2.83Å; D340-E342 VanDerWaalsContact O-N 3.13Å; D340-E342 WeakPolarHBondContact OD1-CB 3.5Å; D340-E342 PolarHBondContact OD1-N 2.83Å; D340-E342 VanDerWaalsContact OD1-N 3.16Å; E342-E344 VanDerWaalsContact C-N 3.32Å; E342-R345 PolarHBondContact O-N 2.94Å; E342-K346 HydrophobicContact CG-CD 4.48Å; E342-K346 WeakPolarHBondContact O-CG 3.2Å; E342-K346 PolarHBondContact O-N 3.27Å; E342-K346 VanDerWaalsContact O-N 3.08Å; E342-K346 VanDerWaalsContact OE1-CE 3.3Å; E342-K346 WeakPolarHBondContact OE1-CE 3.46Å; E342-K346 IonicContact OE1-NZ 3.88Å; E342-K346 PolarHBondContact OE1-NZ 2.97Å
343N89Confident84.2Confident7 Ų743.8 Ų43.84%0.03723%0.227CC..Hα-helixtrans-63.6-39.5175.3-79.9-37.9000111.6Y264 V312 M339 D340 R345 K346 V347Y264-N343 WeakPolarHBondContact CE2-OD1 3.44Å; Y264-N343 VanDerWaalsContact OH-CG 3.32Å; Y264-N343 PolarHBondContact OH-ND2 3.46Å; Y264-N343 PolarHBondContact OH-OD1 3.18Å; V312-N343 HydrophobicContact CG2-CB 3.92Å; M339-N343 HydrophobicContact CG-CB 3.53Å; M339-N343 HydrophobicContact SD-CB 3.8Å; D340-N343 PolarHBondContact O-N 2.88Å; D340-N343 WeakPolarHBondContact OD1-CB 3.01Å; D340-N343 PolarHBondContact OD1-N 2.7Å; D340-N343 PolarHBondContact OD2-ND2 2.75Å; N343-R345 VanDerWaalsContact C-N 3.34Å; N343-R345 PolarHBondContact O-N 2.86Å; N343-K346 PolarHBondContact O-N 3.38Å; N343-V347 WeakPolarHBondContact O-CB 3.27Å; N343-V347 WeakPolarHBondContact O-CG2 3.45Å; N343-V347 PolarHBondContact O-N 3.09Å
344E88.3Confident83.8Confident38 Ų3844 Ų4418%0.17823%0.229CC..Hα-helixtrans-58.4-48179-162.9-175.2176.700111N336 M339 D340 E342 F348 L377N336-E344 HydrophobicContact CB-CG 4.02Å; N336-E344 PolarHBondContact ND2-OE1 3.11Å; M339-E344 HydrophobicContact CB-CB 4.38Å; M339-E344 HydrophobicContact CG-CB 4.2Å; M339-E344 WeakPolarHBondContact SD-CA 3.18Å; M339-E344 HydrophobicContact SD-CB 4.09Å; M339-E344 PolarHBondContact SD-N 2.87Å; D340-E344 WeakPolarHBondContact O-CB 3.32Å; D340-E344 PolarHBondContact O-N 3Å; E342-E344 VanDerWaalsContact C-N 3.32Å; E344-F348 VanDerWaalsContact O-CB 3.24Å; E344-F348 WeakPolarHBondContact O-CB 3.41Å; E344-F348 PolarHBondContact O-N 3.12Å; E344-L377 HydrophobicContact CB-CD2 4.21Å; E344-L377 VanDerWaalsContact CD-CD2 3.41Å; E344-L377 HydrophobicContact CG-CD1 4.14Å; E344-L377 HydrophobicContact CG-CD2 3.76Å; E344-L377 HydrophobicContact CG-CG 4.28Å
345R88Confident83.7Confident87 Ų8743.8 Ų43.833%0.32823%0.228SC..Hα-helixtrans-61.3-49.2175.1-178.3176.2-65.7-91.1-4.8112.4P341 E342 N343 V347 F348 D349 P378 N379P341-R345 WeakPolarHBondContact O-CB 3.3Å; P341-R345 PolarHBondContact O-N 3.47Å; E342-R345 PolarHBondContact O-N 2.94Å; N343-R345 VanDerWaalsContact C-N 3.34Å; N343-R345 PolarHBondContact O-N 2.86Å; R345-V347 PolarHBondContact O-N 3.34Å; R345-F348 PolarHBondContact O-N 2.88Å; R345-D349 WeakPolarHBondContact O-CB 3.14Å; R345-D349 VanDerWaalsContact O-CG 3.31Å; R345-D349 PolarHBondContact O-N 3.3Å; R345-P378 PolarHBondContact NH2-O 3.46Å; R345-N379 PolarHBondContact NH1-O 3.33Å
346K89.4Confident83.4Confident68 Ų6844.5 Ų44.530%0.29623%0.233SC..Hα-helixtrans-61.5-43.7-178-69.7173.7-176.1169.30112.2L262 E342 N343 F348 L350L262-K346 HydrophobicContact CD2-CB 4.23Å; L262-K346 HydrophobicContact CG-CB 4Å; E342-K346 HydrophobicContact CG-CD 4.48Å; E342-K346 WeakPolarHBondContact O-CG 3.2Å; E342-K346 PolarHBondContact O-N 3.27Å; E342-K346 VanDerWaalsContact O-N 3.08Å; E342-K346 VanDerWaalsContact OE1-CE 3.3Å; E342-K346 WeakPolarHBondContact OE1-CE 3.46Å; E342-K346 IonicContact OE1-NZ 3.88Å; E342-K346 PolarHBondContact OE1-NZ 2.97Å; N343-K346 PolarHBondContact O-N 3.38Å; K346-F348 VanDerWaalsContact C-N 3.35Å; K346-L350 WeakPolarHBondContact O-CB 3.38Å; K346-L350 PolarHBondContact O-N 3.41Å; K346-L350 VanDerWaalsContact O-N 3.09Å
347V89.3Confident82.7Confident5 Ų545.4 Ų45.43%0.0325%0.247CC..Hα-helixtrans-63.6-43.9177171.70000110.5L262 V312 I315 M339 N343 R345 L350 M351L262-V347 HydrophobicContact CD2-CG2 3.52Å; V312-V347 HydrophobicContact CB-CG2 4.37Å; V312-V347 HydrophobicContact CG1-CG2 4.06Å; V312-V347 HydrophobicContact CG2-CG2 3.96Å; I315-V347 HydrophobicContact CB-CG1 4.21Å; I315-V347 HydrophobicContact CD1-CG1 3.7Å; I315-V347 HydrophobicContact CG2-CG1 3.59Å; M339-V347 HydrophobicContact CE-CG2 4.24Å; M339-V347 HydrophobicContact SD-CB 4.32Å; M339-V347 HydrophobicContact SD-CG2 3.91Å; N343-V347 WeakPolarHBondContact O-CB 3.27Å; N343-V347 WeakPolarHBondContact O-CG2 3.45Å; N343-V347 PolarHBondContact O-N 3.09Å; R345-V347 PolarHBondContact O-N 3.34Å; V347-L350 PolarHBondContact O-N 3.4Å; V347-M351 WeakPolarHBondContact O-CB 3.37Å; V347-M351 PolarHBondContact O-N 3.45Å
348F86.5Confident81.8Confident17 Ų1744.6 Ų44.68%0.07525%0.251CS..Hα-helixtrans-65.6-47.2-179.3-172.8-93.9000112.3L29 E344 R345 K346 L350 M351 V352 L377 C380 F382L29-F348 HydrophobicContact CD1-CE2 3.51Å; L29-F348 HydrophobicContact CD1-CZ 3.46Å; L29-F348 VanDerWaalsContact CD1-CZ 3.46Å; L29-F348 HydrophobicContact CD2-CE2 4.2Å; E344-F348 VanDerWaalsContact O-CB 3.24Å; E344-F348 WeakPolarHBondContact O-CB 3.41Å; E344-F348 PolarHBondContact O-N 3.12Å; R345-F348 PolarHBondContact O-N 2.88Å; K346-F348 VanDerWaalsContact C-N 3.35Å; F348-L350 PolarHBondContact O-N 2.87Å; F348-M351 WeakPolarHBondContact O-CA 3.47Å; F348-M351 WeakPolarHBondContact O-CB 3.45Å; F348-M351 PolarHBondContact O-N 3.29Å; F348-V352 HydrophobicContact CD1-CG2 4.07Å; F348-V352 HydrophobicContact CE1-CG2 3.53Å; F348-V352 HydrophobicContact CZ-CG2 3.8Å; F348-V352 PolarHBondContact O-N 2.95Å; F348-L377 HydrophobicContact CB-CD1 3.4Å; F348-L377 VanDerWaalsContact CB-CD1 3.4Å; F348-L377 HydrophobicContact CD1-CD1 4Å; F348-L377 HydrophobicContact CD2-CD1 4.2Å; F348-L377 HydrophobicContact CG-CD1 3.59Å; F348-C380 HydrophobicContact CD1-CB 3.98Å; F348-C380 HydrophobicContact CE1-CB 3.84Å; F348-F382 AromaticContact CE1-CD1 3.83Å; F348-F382 HydrophobicContact CE1-CD1 3.83Å; F348-F382 AromaticContact CE1-CE1 3.68Å; F348-F382 HydrophobicContact CE1-CE1 3.68Å; F348-F382 HydrophobicContact CE1-CZ 4.45Å; F348-F382 HydrophobicContact CE2-CE1 4.34Å; F348-F382 AromaticContact CZ-CD1 3.48Å; F348-F382 HydrophobicContact CZ-CD1 3.48Å; F348-F382 VanDerWaalsContact CZ-CD1 3.48Å; F348-F382 AromaticContact CZ-CE1 3.32Å; F348-F382 HydrophobicContact CZ-CE1 3.32Å; F348-F382 HydrophobicContact CZ-CZ 4.41Å
349D85.9Confident80.6Confident48 Ų4848.7 Ų48.726%0.25726%0.26SS..Hα-helixtrans-59.9-37.1176.4-71-15.2000111.2R345 K353R345-D349 WeakPolarHBondContact O-CB 3.14Å; R345-D349 VanDerWaalsContact O-CG 3.31Å; R345-D349 PolarHBondContact O-N 3.3Å; D349-K353 WeakPolarHBondContact O-CB 3.48Å; D349-K353 WeakPolarHBondContact O-CD 3.3Å; D349-K353 WeakPolarHBondContact O-CG 3.03Å; D349-K353 PolarHBondContact O-N 3.39Å
350L86.6Confident78.8Confident14 Ų1452.6 Ų52.67%0.07328%0.275CS..Hα-helixtrans-68.9-39.6174.8-178.658.4000112.1L258 L262 L316 K346 V347 F348 K353 M354L258-L350 HydrophobicContact CB-CD2 4.45Å; L258-L350 HydrophobicContact CD2-CD1 4.27Å; L258-L350 HydrophobicContact CD2-CD2 3.96Å; L258-L350 HydrophobicContact CD2-CG 4.45Å; L262-L350 HydrophobicContact CD1-CD2 3.46Å; L262-L350 VanDerWaalsContact CD1-CD2 3.46Å; L316-L350 HydrophobicContact CD2-CD2 3.67Å; K346-L350 WeakPolarHBondContact O-CB 3.38Å; K346-L350 PolarHBondContact O-N 3.41Å; K346-L350 VanDerWaalsContact O-N 3.09Å; V347-L350 PolarHBondContact O-N 3.4Å; F348-L350 PolarHBondContact O-N 2.87Å; L350-K353 PolarHBondContact O-N 2.79Å; L350-M354 HydrophobicContact CD1-CE 4.36Å; L350-M354 HydrophobicContact CD1-CG 4.05Å; L350-M354 HydrophobicContact CD1-SD 4.27Å; L350-M354 HydrophobicContact CG-CE 3.93Å; L350-M354 HydrophobicContact CG-SD 4.47Å; L350-M354 WeakPolarHBondContact O-CB 3.37Å; L350-M354 WeakPolarHBondContact O-CG 3.49Å; L350-M354 PolarHBondContact O-N 2.77Å
351M84.3Confident76.9Confident10 Ų1054.8 Ų54.85%0.04929%0.286CS..Hα-helixtrans-60.4-51.5175.4179.2-178.6-6100110.8L27 I315 F319 V347 F348 K353 M354 L355 M371L27-M351 HydrophobicContact CD1-CG 4.23Å; L27-M351 HydrophobicContact CD1-SD 3.77Å; L27-M351 HydrophobicContact CD2-CG 4.01Å; L27-M351 HydrophobicContact CD2-SD 4.15Å; I315-M351 HydrophobicContact CG2-CE 4.32Å; F319-M351 HydrophobicContact CE1-CE 4.32Å; F319-M351 HydrophobicContact CE1-CG 4.26Å; F319-M351 HydrophobicContact CE2-CB 3.94Å; F319-M351 HydrophobicContact CE2-CE 4.34Å; F319-M351 HydrophobicContact CE2-CG 4.35Å; F319-M351 HydrophobicContact CZ-CB 3.62Å; F319-M351 HydrophobicContact CZ-CE 3.5Å; F319-M351 VanDerWaalsContact CZ-CE 3.5Å; F319-M351 HydrophobicContact CZ-CG 3.53Å; F319-M351 HydrophobicContact CZ-SD 4.22Å; V347-M351 WeakPolarHBondContact O-CB 3.37Å; V347-M351 PolarHBondContact O-N 3.45Å; F348-M351 WeakPolarHBondContact O-CA 3.47Å; F348-M351 WeakPolarHBondContact O-CB 3.45Å; F348-M351 PolarHBondContact O-N 3.29Å; M351-K353 PolarHBondContact O-N 3Å; M351-M354 PolarHBondContact O-N 3.34Å; M351-L355 HydrophobicContact CG-CD1 3.62Å; M351-L355 HydrophobicContact CG-CG 4.46Å; M351-L355 WeakPolarHBondContact O-CB 3.46Å; M351-L355 VanDerWaalsContact O-CG 3.32Å; M351-L355 WeakPolarHBondContact O-CG 3.18Å; M351-L355 PolarHBondContact O-N 3.08Å; M351-M371 HydrophobicContact CE-SD 3.72Å; M351-M371 HydrophobicContact SD-SD 3.78Å
352V83.6Confident74.9Confident10 Ų1055.6 Ų55.66%0.06129%0.294CS..Hα-helixtrans-56.4-52.2176.1172.30000109.5L27 F348 M354 L355 S356 F382L27-V352 HydrophobicContact CD2-CG2 4.05Å; F348-V352 HydrophobicContact CD1-CG2 4.07Å; F348-V352 HydrophobicContact CE1-CG2 3.53Å; F348-V352 HydrophobicContact CZ-CG2 3.8Å; F348-V352 PolarHBondContact O-N 2.95Å; V352-M354 VanDerWaalsContact C-N 3.29Å; V352-M354 PolarHBondContact O-N 3.39Å; V352-L355 PolarHBondContact O-N 3.11Å; V352-S356 WeakPolarHBondContact O-CA 2.79Å; V352-S356 WeakPolarHBondContact O-CB 3.37Å; V352-S356 PolarHBondContact O-N 3.14Å; V352-S356 PolarHBondContact O-OG 3.46Å; V352-F382 WeakPolarHBondContact CG1-O 3.37Å
353K81.5Confident72.9Confident130 Ų13056.8 Ų56.857%0.56530%0.3SS*.Hα-helixtrans-58.6-35.1-179.2-75.3169.4-174.2172.50114.6D349 L350 M351 S356D349-K353 WeakPolarHBondContact O-CB 3.48Å; D349-K353 WeakPolarHBondContact O-CD 3.3Å; D349-K353 WeakPolarHBondContact O-CG 3.03Å; D349-K353 PolarHBondContact O-N 3.39Å; L350-K353 PolarHBondContact O-N 2.79Å; M351-K353 PolarHBondContact O-N 3Å; K353-S356 PolarHBondContact O-OG 2.88Å
354M79.6Confident71.1Confident11 Ų1157 Ų575%0.05430%0.301CS..Hα-helixtrans-82.9-28.8-178.9-75.3-163.5-59.400113.6L258 F319 L350 M351 V352L258-M354 HydrophobicContact CD1-SD 4.46Å; L258-M354 HydrophobicContact CD2-CE 4.02Å; L258-M354 HydrophobicContact CD2-SD 3.41Å; L258-M354 WeakPolarHBondContact CD2-SD 3.48Å; F319-M354 HydrophobicContact CB-CE 3.53Å; F319-M354 HydrophobicContact CD1-CE 4.12Å; F319-M354 HydrophobicContact CD2-CE 3.1Å; F319-M354 HydrophobicContact CE2-CE 3.66Å; F319-M354 HydrophobicContact CG-CE 3.35Å; F319-M354 HydrophobicContact CZ-CE 4.39Å; L350-M354 HydrophobicContact CD1-CE 4.36Å; L350-M354 HydrophobicContact CD1-CG 4.05Å; L350-M354 HydrophobicContact CD1-SD 4.27Å; L350-M354 HydrophobicContact CG-CE 3.93Å; L350-M354 HydrophobicContact CG-SD 4.47Å; L350-M354 WeakPolarHBondContact O-CB 3.37Å; L350-M354 WeakPolarHBondContact O-CG 3.49Å; L350-M354 PolarHBondContact O-N 2.77Å; M351-M354 PolarHBondContact O-N 3.34Å; V352-M354 VanDerWaalsContact C-N 3.29Å; V352-M354 PolarHBondContact O-N 3.39Å
355L78.6Confident69.4Low4 Ų456.3 Ų56.32%0.02130%0.304CS..Hα-helixtrans-97.9-24.6-176.2-61.5177.8000112.5H26 L27 M351 V352 G357 Y369H26-L355 PolarHBondContact ND1-O 2.82Å; L27-L355 HydrophobicContact CB-CB 4.13Å; L27-L355 HydrophobicContact CB-CD1 4.1Å; L27-L355 HydrophobicContact CD1-CD1 3.82Å; L27-L355 HydrophobicContact CD2-CD1 4.45Å; L27-L355 HydrophobicContact CG-CD1 4.34Å; M351-L355 HydrophobicContact CG-CD1 3.62Å; M351-L355 HydrophobicContact CG-CG 4.46Å; M351-L355 WeakPolarHBondContact O-CB 3.46Å; M351-L355 VanDerWaalsContact O-CG 3.32Å; M351-L355 WeakPolarHBondContact O-CG 3.18Å; M351-L355 PolarHBondContact O-N 3.08Å; V352-L355 PolarHBondContact O-N 3.11Å; L355-G357 PolarHBondContact O-N 2.96Å; L355-Y369 HydrophobicContact CD1-CD1 4.34Å; L355-Y369 HydrophobicContact CD1-CD2 3.76Å; L355-Y369 HydrophobicContact CD1-CE2 4.39Å; L355-Y369 HydrophobicContact CD1-CG 3.71Å; L355-Y369 HydrophobicContact CD2-CD2 3.57Å; L355-Y369 HydrophobicContact CD2-CE2 3.73Å; L355-Y369 HydrophobicContact CD2-CG 4.38Å; L355-Y369 HydrophobicContact CG-CD2 4.35Å
356S70.4Confident68.3Low15 Ų1552.8 Ų52.811%0.10530%0.295CS..SBendtrans-68.5106.8161.770.80000107.2V352 K353 S358 E385V352-S356 WeakPolarHBondContact O-CA 2.79Å; V352-S356 WeakPolarHBondContact O-CB 3.37Å; V352-S356 PolarHBondContact O-N 3.14Å; V352-S356 PolarHBondContact O-OG 3.46Å; K353-S356 PolarHBondContact O-OG 2.88Å; S356-S358 PolarHBondContact O-N 3Å; S356-E385 WeakPolarHBondContact CA-OE2 3.34Å
357G59.7Low67.6Low39 Ų3949.8 Ų49.840%0.40228%0.283SS..THydrogen-bonded Turntrans-59.513.3-17400000116.1L355 E385L355-G357 PolarHBondContact O-N 2.96Å; G357-E385 VanDerWaalsContact N-CD 3.31Å; G357-E385 PolarHBondContact N-OE1 3.03Å; G357-E385 PolarHBondContact N-OE2 3.27Å
358S53.4Low67.3Low76 Ų7649.7 Ų49.753%0.53128%0.282SS..THydrogen-bonded Turntrans-91.2-12.4-170.658.30000116S356S356-S358 PolarHBondContact O-N 3Å
359N50.3Low67.3Low142 Ų14249.1 Ų49.176%0.75928%0.279SS*.SBendtrans-149.67-173.2-79.7-59000117.8
360Y49.2Very low67.5Low97 Ų9747 Ų4738%0.3827%0.268SS..SBendtrans-129.2143.6172.6-101-92.5000108.7Q261 S362 L364Q261-Y360 PolarHBondContact NE2-OH 2.91Å; Y360-S362 PolarHBondContact O-N 2.75Å; Y360-L364 HydrophobicContact CD1-CD1 3.84Å; Y360-L364 HydrophobicContact CG-CD1 4Å
361D46.3Very low67.6Low111 Ų11146.9 Ų46.959%0.59427%0.267SS*.  trans-22.1119.3177.5-97-33.2000110.6Q363 L364D361-Q363 PolarHBondContact O-N 2.92Å; D361-L364 PolarHBondContact O-N 3.35Å
362S45.8Very low67.8Low117 Ų11746.5 Ų46.582%0.81827%0.265SS*.THydrogen-bonded Turntrans-547-17955.80000115Y360Y360-S362 PolarHBondContact O-N 2.75Å
363Q46.3Very low67.9Low147 Ų14746.4 Ų46.469%0.68726%0.264SS*.THydrogen-bonded Turntrans-91.1-12.5171.9-57.8-172.3-400113.7D361D361-Q363 PolarHBondContact O-N 2.92Å
364L51.2Low67.8Low10 Ų1041.1 Ų41.15%0.05224%0.244CC..SBendtrans-78.1-32.3172.9-90.9148.2000113.5Q322 Q323 Y360 D361 G366Q322-L364 HydrophobicContact CB-CD2 4.02Å; Q322-L364 HydrophobicContact CG-CD2 3.74Å; Q322-L364 PolarHBondContact NE2-O 3.25Å; Q323-L364 HydrophobicContact CG-CB 4.48Å; Q323-L364 HydrophobicContact CG-CD1 4.13Å; Q323-L364 HydrophobicContact CG-CD2 3.47Å; Q323-L364 VanDerWaalsContact CG-CD2 3.47Å; Q323-L364 HydrophobicContact CG-CG 3.38Å; Y360-L364 HydrophobicContact CD1-CD1 3.84Å; Y360-L364 HydrophobicContact CG-CD1 4Å; D361-L364 PolarHBondContact O-N 3.35Å; L364-G366 PolarHBondContact O-N 2.72Å
365G52.1Low67.6Low24 Ų2448.3 Ų48.325%0.24728%0.275CS..THydrogen-bonded Turntrans-72.920.9-173.100000115.7
366G64Low67.4Low14 Ų1451 Ų5114%0.14429%0.289CS..THydrogen-bonded Turntrans-93.1-10.5-174.700000115.8N4 L364N4-G366 PolarHBondContact N-O 3.14Å; L364-G366 PolarHBondContact O-N 2.72Å
367T75.6Confident67.7Low5 Ų551.3 Ų51.33%0.03129%0.289CS..SBendtrans-125.3131.6-177.7-55.40000110.9Q322 V327 R330Q322-T367 PolarHBondContact NE2-OG1 2.89Å; V327-T367 HydrophobicContact CG2-CG2 3.65Å; V327-T367 WeakPolarHBondContact O-CB 3.37Å; V327-T367 VanDerWaalsContact O-CG2 3.3Å; V327-T367 WeakPolarHBondContact O-CG2 3.04Å; V327-T367 PolarHBondContact O-OG1 2.82Å; R330-T367 HydrophobicContact CG-CG2 3.89Å
368Q82.6Confident68.4Low3 Ų353.7 Ų53.71%0.01430%0.297CS..EExtended strand (participates in β ladder)trans-72.9130.4172.5-179.3177.465.200111.2V7 P23 D24 P25 P328 F329 R330 I370V7-Q368 PolarHBondContact O-OE1 2.96Å; P23-Q368 PolarHBondContact O-NE2 2.77Å; D24-Q368 WeakPolarHBondContact O-CG 3.31Å; D24-Q368 PolarHBondContact O-NE2 2.88Å; P25-Q368 VanDerWaalsContact O-CA 3.25Å; P25-Q368 WeakPolarHBondContact O-CA 3.5Å; P328-Q368 WeakPolarHBondContact O-CB 3.5Å; P328-Q368 PolarHBondContact O-N 2.84Å; F329-Q368 CarbonylContact C-O 3.6Å; F329-Q368 WeakPolarHBondContact CA-O 3.27Å; F329-Q368 HydrophobicContact CB-CB 4.09Å; R330-Q368 PolarHBondContact N-O 2.93Å; Q368-I370 HydrophobicContact CG-CG1 4.26Å
369Y86.8Confident69.3Low5 Ų557.4 Ų57.42%0.0231%0.311CS..EExtended strand (participates in β ladder)trans-104129.8171-89.4-101.4000110H26 N28 F319 Q322 R330 L355H26-Y369 PolarHBondContact O-N 3.35Å; N28-Y369 WeakPolarHBondContact CB-O 3.22Å; N28-Y369 PolarHBondContact N-O 3.43Å; N28-Y369 PolarHBondContact ND2-O 3.05Å; F319-Y369 HydrophobicContact CD1-CE1 4.15Å; F319-Y369 AromaticContact CD1-CZ 3.93Å; F319-Y369 HydrophobicContact CE1-CD1 4.37Å; F319-Y369 AromaticContact CE1-CE1 3.71Å; F319-Y369 HydrophobicContact CE1-CE1 3.71Å; F319-Y369 AromaticContact CE1-CZ 3.89Å; Q322-Y369 HydrophobicContact CG-CE2 4.1Å; Q322-Y369 VanDerWaalsContact OE1-CE2 3.32Å; Q322-Y369 PolarHBondContact OE1-OH 2.81Å; R330-Y369 HydrophobicContact CB-CD1 4.13Å; R330-Y369 HydrophobicContact CB-CE1 4.01Å; R330-Y369 HydrophobicContact CB-CG 4.48Å; R330-Y369 WeakPolarHBondContact CD-OH 3.38Å; L355-Y369 HydrophobicContact CD1-CD1 4.34Å; L355-Y369 HydrophobicContact CD1-CD2 3.76Å; L355-Y369 HydrophobicContact CD1-CE2 4.39Å; L355-Y369 HydrophobicContact CD1-CG 3.71Å; L355-Y369 HydrophobicContact CD2-CD2 3.57Å; L355-Y369 HydrophobicContact CD2-CE2 3.73Å; L355-Y369 HydrophobicContact CD2-CG 4.38Å; L355-Y369 HydrophobicContact CG-CD2 4.35Å
370I89.1Confident70.2Confident4 Ų451.3 Ų51.32%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-118.3107172.5-52175.6000107.4P23 N28 V30 L45 R330 C331 V332 Q368 F372P23-I370 HydrophobicContact CB-CD1 4.42Å; P23-I370 HydrophobicContact CG-CD1 4.11Å; N28-I370 HydrophobicContact CB-CG1 4.4Å; N28-I370 WeakPolarHBondContact O-CA 3.21Å; V30-I370 HydrophobicContact CG2-CG2 4.04Å; L45-I370 HydrophobicContact CD1-CD1 4.24Å; R330-I370 PolarHBondContact O-N 2.7Å; C331-I370 WeakPolarHBondContact CA-O 3.35Å; V332-I370 PolarHBondContact N-O 3.15Å; Q368-I370 HydrophobicContact CG-CG1 4.26Å; I370-F372 HydrophobicContact CG2-CE1 4.15Å; I370-F372 HydrophobicContact CG2-CE2 3.83Å; I370-F372 HydrophobicContact CG2-CZ 3.54Å
371M89Confident71.6Confident11 Ų1152.5 Ų52.55%0.05429%0.293CS..EExtended strand (participates in β ladder)trans-107.6128.8179.8-177.6179.5178.200109.8N28 L29 V30 V332 I335 N336 M351N28-M371 PolarHBondContact O-N 3.47Å; L29-M371 CarbonylContact C-O 3.55Å; L29-M371 WeakPolarHBondContact CA-O 3.09Å; L29-M371 HydrophobicContact CD2-CB 3.72Å; L29-M371 HydrophobicContact CD2-CG 4.26Å; L29-M371 HydrophobicContact CD2-SD 4Å; V30-M371 PolarHBondContact N-O 3.38Å; V332-M371 CarbonylContact O-C 3.11Å; V332-M371 WeakPolarHBondContact O-CA 3.34Å; I335-M371 HydrophobicContact CG2-CE 4.16Å; N336-M371 HydrophobicContact CB-CE 4.43Å; M351-M371 HydrophobicContact CE-SD 3.72Å; M351-M371 HydrophobicContact SD-SD 3.78Å
372F88.9Confident73Confident1 Ų147.8 Ų47.80%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-102.8129.4174.9-53.1-90.2000109.1V30 K38 L41 M42 C331 V332 D333 E334 I370V30-F372 HydrophobicContact CB-CD1 3.5Å; V30-F372 HydrophobicContact CB-CE1 3.87Å; V30-F372 HydrophobicContact CB-CG 4.35Å; V30-F372 HydrophobicContact CG1-CD1 3.78Å; V30-F372 HydrophobicContact CG1-CE1 4.1Å; V30-F372 HydrophobicContact CG2-CD1 3.87Å; V30-F372 HydrophobicContact CG2-CE1 3.69Å; V30-F372 WeakPolarHBondContact O-CA 3.42Å; K38-F372 HydrophobicContact CB-CB 4.38Å; K38-F372 HydrophobicContact CB-CD1 4.11Å; K38-F372 WeakPolarHBondContact O-CD1 3.49Å; L41-F372 HydrophobicContact CB-CE1 3.74Å; L41-F372 HydrophobicContact CB-CZ 4.22Å; L41-F372 HydrophobicContact CD1-CE1 3.98Å; L41-F372 HydrophobicContact CG-CE1 4.35Å; M42-F372 HydrophobicContact CB-CD2 4.22Å; M42-F372 HydrophobicContact CB-CE2 3.79Å; M42-F372 HydrophobicContact CB-CZ 4.02Å; M42-F372 HydrophobicContact CG-CE2 4.2Å; C331-F372 HydrophobicContact CB-CE2 4.31Å; V332-F372 WeakPolarHBondContact O-CD2 2.89Å; V332-F372 PolarHBondContact O-N 3.36Å; D333-F372 HydrophobicContact CB-CB 4.27Å; D333-F372 HydrophobicContact CB-CD2 4.12Å; D333-F372 WeakPolarHBondContact OD1-CB 3Å; E334-F372 PolarHBondContact N-O 3.39Å; I370-F372 HydrophobicContact CG2-CE1 4.15Å; I370-F372 HydrophobicContact CG2-CE2 3.83Å; I370-F372 HydrophobicContact CG2-CZ 3.54Å
373T86Confident74.5Confident8 Ų843 Ų435%0.04924%0.236CC..EExtended strand (participates in β ladder)trans-149.9144.5179.7-166.50000111.7V30 I31 K38 N336 K375V30-T373 PolarHBondContact O-N 3.49Å; I31-T373 VanDerWaalsContact CA-O 3.3Å; I31-T373 WeakPolarHBondContact CA-O 3.26Å; I31-T373 HydrophobicContact CG2-CG2 3.84Å; K38-T373 WeakPolarHBondContact CD-O 3.41Å; N336-T373 PolarHBondContact ND2-OG1 2.85Å; N336-T373 PolarHBondContact OD1-OG1 3.44Å; N336-T373 VanDerWaalsContact OD1-OG1 3.05Å; T373-K375 VanDerWaalsContact C-N 3.32Å; T373-K375 WeakPolarHBondContact CG2-O 3.21Å; T373-K375 PolarHBondContact O-N 3.39Å
374P78.4Confident76Confident20 Ų2044.6 Ų44.613%0.1324%0.244CC..SBendtrans-78.7-16.7-17630.7-36.9000114.3G32 N34 Q337G32-P374 CarbonylContact O-C 3.58Å; G32-P374 WeakPolarHBondContact O-CA 3.43Å; N34-P374 WeakPolarHBondContact OD1-CB 3.36Å; Q337-P374 VanDerWaalsContact NE2-CG 3.34Å
375K76.1Confident77.3Confident162 Ų16247 Ų4770%0.70425%0.254SS*.SBendtrans-141.7144.5-173.7-61.5-177.6-176.3177.70110T373T373-K375 VanDerWaalsContact C-N 3.32Å; T373-K375 WeakPolarHBondContact CG2-O 3.21Å; T373-K375 PolarHBondContact O-N 3.39Å
376L75.2Confident78.8Confident60 Ų6045.9 Ų45.931%0.31424%0.243SC..PPolyproline II helixtrans-79.8143.8165.4-71.9172000109.4I31 P378 F382 L388I31-L376 HydrophobicContact CD1-CD1 3.49Å; I31-L376 VanDerWaalsContact CD1-CD1 3.49Å; I31-L376 HydrophobicContact CD1-CD2 3.99Å; I31-L376 HydrophobicContact CD1-CG 3.64Å; I31-L376 HydrophobicContact CG2-CD2 3.67Å; I31-L376 HydrophobicContact CG2-CG 4.07Å; L376-P378 WeakPolarHBondContact O-CD 3.47Å; L376-F382 HydrophobicContact CD2-CE1 3.79Å; L376-F382 HydrophobicContact CD2-CZ 3.7Å; L376-L388 HydrophobicContact CD2-CD2 4.16Å
377L76.7Confident79.8Confident21 Ų2145.9 Ų45.911%0.1124%0.239CC..PPolyproline II helixtrans-69.4124.4167.7-76.7171.5000109.2E344 F348 C380E344-L377 HydrophobicContact CB-CD2 4.21Å; E344-L377 VanDerWaalsContact CD-CD2 3.41Å; E344-L377 HydrophobicContact CG-CD1 4.14Å; E344-L377 HydrophobicContact CG-CD2 3.76Å; E344-L377 HydrophobicContact CG-CG 4.28Å; F348-L377 HydrophobicContact CB-CD1 3.4Å; F348-L377 VanDerWaalsContact CB-CD1 3.4Å; F348-L377 HydrophobicContact CD1-CD1 4Å; F348-L377 HydrophobicContact CD2-CD1 4.2Å; F348-L377 HydrophobicContact CG-CD1 3.59Å; L377-C380 HydrophobicContact CB-CB 4.08Å; L377-C380 WeakPolarHBondContact CB-SG 3.41Å
378P73Confident80.2Confident89 Ų8945.8 Ų45.858%0.57824%0.238SC*.THydrogen-bonded Turntrans-59.4142.7175.9-21.932.3000111R345 L376 C380R345-P378 PolarHBondContact NH2-O 3.46Å; L376-P378 WeakPolarHBondContact O-CD 3.47Å; P378-C380 VanDerWaalsContact C-N 3.3Å; P378-C380 PolarHBondContact O-N 2.97Å
379N72.3Confident80.4Confident154 Ų15446 Ų4682%0.82424%0.239SC*.THydrogen-bonded Turntrans5539175.1-49.7-29000114.1R345R345-N379 PolarHBondContact NH1-O 3.33Å
380C70.4Confident80.2Confident15 Ų1546.5 Ų46.510%0.10124%0.243CC..  trans-97.2140172.2-88.80000110.5F348 L377 P378 F382F348-C380 HydrophobicContact CD1-CB 3.98Å; F348-C380 HydrophobicContact CE1-CB 3.84Å; L377-C380 HydrophobicContact CB-CB 4.08Å; L377-C380 WeakPolarHBondContact CB-SG 3.41Å; P378-C380 VanDerWaalsContact C-N 3.3Å; P378-C380 PolarHBondContact O-N 2.97Å; C380-F382 HydrophobicContact CB-CE2 4.2Å; C380-F382 HydrophobicContact CB-CZ 3.99Å; C380-F382 WeakPolarHBondContact O-CD2 3.4Å; C380-F382 VanDerWaalsContact O-CE2 3.31Å; C380-F382 WeakPolarHBondContact O-CE2 3.06Å
381N78.2Confident79.7Confident122 Ų12246.3 Ų46.365%0.65224%0.242SC*.  trans-87.5112.3172-175.1-5.3000108.4G383N381-G383 PolarHBondContact OD1-N 3.17Å; N381-G383 VanDerWaalsContact OD1-N 3.1Å
382F76.3Confident79Confident11 Ų1148.3 Ų48.35%0.04825%0.253CS..  trans-80.8-19.4-177.6-64.6-82.8000112.8L29 F348 V352 L376 C380 T386 L388L29-F382 HydrophobicContact CD1-CD1 3.71Å; L29-F382 HydrophobicContact CD1-CE1 3.75Å; F348-F382 AromaticContact CE1-CD1 3.83Å; F348-F382 HydrophobicContact CE1-CD1 3.83Å; F348-F382 AromaticContact CE1-CE1 3.68Å; F348-F382 HydrophobicContact CE1-CE1 3.68Å; F348-F382 HydrophobicContact CE1-CZ 4.45Å; F348-F382 HydrophobicContact CE2-CE1 4.34Å; F348-F382 AromaticContact CZ-CD1 3.48Å; F348-F382 HydrophobicContact CZ-CD1 3.48Å; F348-F382 VanDerWaalsContact CZ-CD1 3.48Å; F348-F382 AromaticContact CZ-CE1 3.32Å; F348-F382 HydrophobicContact CZ-CE1 3.32Å; F348-F382 HydrophobicContact CZ-CZ 4.41Å; V352-F382 WeakPolarHBondContact CG1-O 3.37Å; L376-F382 HydrophobicContact CD2-CE1 3.79Å; L376-F382 HydrophobicContact CD2-CZ 3.7Å; C380-F382 HydrophobicContact CB-CE2 4.2Å; C380-F382 HydrophobicContact CB-CZ 3.99Å; C380-F382 WeakPolarHBondContact O-CD2 3.4Å; C380-F382 VanDerWaalsContact O-CE2 3.31Å; C380-F382 WeakPolarHBondContact O-CE2 3.06Å; F382-T386 HydrophobicContact CB-CG2 4.24Å; F382-T386 HydrophobicContact CD1-CG2 4.34Å; F382-T386 WeakPolarHBondContact O-CB 3.24Å; F382-T386 PolarHBondContact O-OG1 3.47Å; F382-L388 HydrophobicContact CD1-CD2 3.92Å; F382-L388 HydrophobicContact CD2-CD1 4.47Å; F382-L388 HydrophobicContact CE1-CD2 4.13Å; F382-L388 HydrophobicContact CG-CD1 4.41Å; F382-L388 HydrophobicContact CG-CD2 4.5Å
383G76Confident78.3Confident17 Ų1752.1 Ų52.118%0.17527%0.273CS..  trans67.8156.4-175.900000113.5N381 E385 T386 Q418N381-G383 PolarHBondContact OD1-N 3.17Å; N381-G383 VanDerWaalsContact OD1-N 3.1Å; G383-E385 PolarHBondContact O-N 3.14Å; G383-E385 VanDerWaalsContact O-N 3.16Å; G383-T386 PolarHBondContact O-N 3.06Å; G383-Q418 PolarHBondContact O-NE2 3.34Å; G383-Q418 VanDerWaalsContact O-NE2 3.12Å; G383-Q418 PolarHBondContact O-OE1 3.25Å; G383-Q418 VanDerWaalsContact O-OE1 3.08Å
384E77.4Confident77.4Confident181 Ų18153.9 Ų53.985%0.84629%0.292SS*.THydrogen-bonded Turntrans-62.7-23.2-172.2-67.8179.5-17600115.3Q418E384-Q418 VanDerWaalsContact CA-NE2 3.3Å
385E79.5Confident76.2Confident59 Ų5962 Ų6228%0.27633%0.333SS..THydrogen-bonded Turntrans-96.53.7-176.2-62.1-177.7-16700113.9H26 S356 G357 G383H26-E385 HydrophobicContact CB-CB 4.11Å; H26-E385 WeakPolarHBondContact CB-O 3.32Å; H26-E385 IonicContact CD2-OE2 2.87Å; H26-E385 IonicContact CE1-OE2 3.24Å; H26-E385 PolarHBondContact CE1-OE2 3.25Å; H26-E385 IonicContact CG-OE2 3.65Å; H26-E385 IonicContact ND1-OE2 3.12Å; H26-E385 PolarHBondContact ND1-OE2 2.93Å; H26-E385 VanDerWaalsContact ND1-OE2 3.11Å; H26-E385 IonicContact NE2-OE2 2.75Å; S356-E385 WeakPolarHBondContact CA-OE2 3.34Å; G357-E385 VanDerWaalsContact N-CD 3.31Å; G357-E385 PolarHBondContact N-OE1 3.03Å; G357-E385 PolarHBondContact N-OE2 3.27Å; G383-E385 PolarHBondContact O-N 3.14Å; G383-E385 VanDerWaalsContact O-N 3.16Å
386T82.5Confident75.2Confident1 Ų157.7 Ų57.71%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-94.4125176.5-63.10000110.2L27 L29 F382 G383 L388 Q418L27-T386 HydrophobicContact CB-CG2 4.28Å; L27-T386 HydrophobicContact CD2-CG2 3.98Å; L27-T386 HydrophobicContact CG-CG2 3.95Å; L27-T386 CarbonylContact O-C 3.6Å; L27-T386 WeakPolarHBondContact O-CA 3.31Å; L29-T386 HydrophobicContact CD1-CG2 3.83Å; L29-T386 HydrophobicContact CG-CG2 3.94Å; F382-T386 HydrophobicContact CB-CG2 4.24Å; F382-T386 HydrophobicContact CD1-CG2 4.34Å; F382-T386 WeakPolarHBondContact O-CB 3.24Å; F382-T386 PolarHBondContact O-OG1 3.47Å; G383-T386 PolarHBondContact O-N 3.06Å; T386-L388 HydrophobicContact CG2-CD2 4.3Å; T386-Q418 VanDerWaalsContact O-CB 3.29Å; T386-Q418 WeakPolarHBondContact O-CB 3.35Å; T386-Q418 WeakPolarHBondContact O-CG 3.41Å
387K85.2Confident74.3Confident15 Ų1557.2 Ų57.27%0.06534%0.339CS..EExtended strand (participates in β ladder)trans-99.2131.1173.1-168.9165.7-172.6171.70111.4M22 D24 L27 N28 L29 W389 E420M22-K387 PolarHBondContact O-NZ 3.39Å; D24-K387 HydrophobicContact CB-CB 4.11Å; D24-K387 HydrophobicContact CB-CD 4.15Å; D24-K387 VanDerWaalsContact CG-CD 3.46Å; D24-K387 WeakPolarHBondContact OD1-CD 3.43Å; D24-K387 IonicContact OD1-NZ 2.74Å; L27-K387 PolarHBondContact O-N 3.05Å; N28-K387 CarbonylContact C-O 3.44Å; N28-K387 VanDerWaalsContact CA-O 3.31Å; N28-K387 WeakPolarHBondContact CA-O 3.37Å; L29-K387 PolarHBondContact N-O 2.86Å; K387-W389 HydrophobicContact CD-CZ2 4.04Å; K387-E420 VanDerWaalsContact CE-OE1 3.3Å; K387-E420 WeakPolarHBondContact CE-OE1 3.24Å; K387-E420 VanDerWaalsContact CE-OE2 3.25Å; K387-E420 WeakPolarHBondContact CE-OE2 3.44Å; K387-E420 IonicContact NZ-OE1 2.66Å; K387-E420 PolarHBondContact NZ-OE1 2.84Å; K387-E420 IonicContact NZ-OE2 3.02Å; K387-E420 PolarHBondContact NZ-OE2 3.41Å; K387-E420 VanDerWaalsContact NZ-OE2 3.09Å
388L85.4Confident73.4Confident2 Ų259.3 Ų59.31%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-103.6129178.8-63-179.3000110L29 L376 F382 T386 Q418 M419 E420L29-L388 HydrophobicContact CB-CD2 3.67Å; L29-L388 HydrophobicContact CD1-CD2 3.63Å; L29-L388 HydrophobicContact CG-CD2 4.04Å; L376-L388 HydrophobicContact CD2-CD2 4.16Å; F382-L388 HydrophobicContact CD1-CD2 3.92Å; F382-L388 HydrophobicContact CD2-CD1 4.47Å; F382-L388 HydrophobicContact CE1-CD2 4.13Å; F382-L388 HydrophobicContact CG-CD1 4.41Å; F382-L388 HydrophobicContact CG-CD2 4.5Å; T386-L388 HydrophobicContact CG2-CD2 4.3Å; L388-Q418 PolarHBondContact N-O 3.02Å; L388-M419 HydrophobicContact CB-CB 4.5Å; L388-M419 HydrophobicContact CB-CE 4.34Å; L388-M419 HydrophobicContact CB-CG 3.88Å; L388-M419 HydrophobicContact CD1-CE 4.21Å; L388-M419 HydrophobicContact CD1-CG 3.7Å; L388-M419 HydrophobicContact CD1-SD 4.11Å; L388-M419 HydrophobicContact CG-CG 4.3Å; L388-E420 PolarHBondContact O-N 2.92Å; L388-E420 VanDerWaalsContact O-O 3.05Å
389W85.1Confident72.8Confident8 Ų858.5 Ų58.53%0.0335%0.349CS..EExtended strand (participates in β ladder)trans-117104.3179.4-74.992.6000110.3V21 M22 L29 V30 I31 K387 E420 A422V21-W389 HydrophobicContact CB-CE3 4.36Å; V21-W389 HydrophobicContact CB-CZ3 4.33Å; V21-W389 HydrophobicContact CG1-CD2 3.53Å; V21-W389 HydrophobicContact CG1-CE3 3.81Å; V21-W389 HydrophobicContact CG1-CG 3.99Å; V21-W389 HydrophobicContact CG1-CH2 4.19Å; V21-W389 HydrophobicContact CG1-CZ2 3.97Å; V21-W389 HydrophobicContact CG1-CZ3 4.12Å; V21-W389 HydrophobicContact CG2-CE3 4.32Å; M22-W389 HydrophobicContact CB-CH2 4.1Å; M22-W389 HydrophobicContact CB-CZ2 4.07Å; M22-W389 WeakPolarHBondContact O-CZ2 3.47Å; L29-W389 PolarHBondContact O-N 2.89Å; V30-W389 CarbonylContact C-O 3.57Å; V30-W389 WeakPolarHBondContact CA-O 3.28Å; V30-W389 HydrophobicContact CB-CB 4.37Å; V30-W389 HydrophobicContact CG1-CB 4.41Å; V30-W389 HydrophobicContact CG2-CB 4.07Å; I31-W389 WeakPolarHBondContact CG1-O 3.42Å; I31-W389 PolarHBondContact N-O 3.29Å; K387-W389 HydrophobicContact CD-CZ2 4.04Å; W389-E420 VanDerWaalsContact CA-O 3.29Å; W389-E420 WeakPolarHBondContact CA-O 2.68Å; W389-E420 HydrophobicContact CD2-CB 4.47Å; W389-E420 HydrophobicContact CE3-CB 4.15Å; W389-E420 HydrophobicContact CH2-CB 4.04Å; W389-E420 WeakPolarHBondContact CH2-OE2 3.15Å; W389-E420 HydrophobicContact CZ2-CB 4.32Å; W389-E420 WeakPolarHBondContact CZ2-OE2 3.25Å; W389-E420 HydrophobicContact CZ3-CB 3.95Å; W389-A422 HydrophobicContact CE3-CB 3.92Å; W389-A422 HydrophobicContact CZ3-CB 4.02Å
390C82.4Confident72.4Confident15 Ų1556.8 Ų56.810%0.10134%0.336CS..EExtended strand (participates in β ladder)trans-89115.1177.8-164.70000111.2I31 L403 E420 C421 A422I31-C390 HydrophobicContact CD1-CB 4.36Å; I31-C390 HydrophobicContact CG1-CB 4.11Å; C390-L403 HydrophobicContact CB-CD2 4.21Å; C390-E420 PolarHBondContact N-O 2.63Å; C390-C421 HydrophobicContact CB-CB 4.17Å; C390-C421 WeakPolarHBondContact O-CA 3.37Å; C390-A422 PolarHBondContact O-N 3.31Å
391M79.9Confident71.9Confident1 Ų163.3 Ų63.31%0.00536%0.363CS..  trans-99.9122.3176.5-66.9-165.977.800111.7H16 V19 V30 I31 G32 S36 K38 L41H16-M391 WeakPolarHBondContact CE1-CE 3.45Å; V19-M391 HydrophobicContact CG1-CE 4.47Å; V30-M391 HydrophobicContact CG1-CG 3.66Å; V30-M391 HydrophobicContact CG1-SD 3.47Å; V30-M391 WeakPolarHBondContact CG1-SD 3.36Å; I31-M391 PolarHBondContact O-N 3.1Å; G32-M391 WeakPolarHBondContact CA-O 3.09Å; S36-M391 WeakPolarHBondContact CB-O 3.4Å; S36-M391 PolarHBondContact OG-O 3.22Å; K38-M391 WeakPolarHBondContact CA-SD 3.5Å; K38-M391 HydrophobicContact CB-SD 4.23Å; K38-M391 HydrophobicContact CG-CB 4.33Å; K38-M391 HydrophobicContact CG-SD 3.93Å; L41-M391 HydrophobicContact CD1-CE 3.95Å; L41-M391 HydrophobicContact CD1-CG 4.49Å; L41-M391 HydrophobicContact CD1-SD 3.34Å; L41-M391 WeakPolarHBondContact CD1-SD 3.45Å; L41-M391 HydrophobicContact CD2-CE 3.65Å; L41-M391 HydrophobicContact CD2-SD 4.16Å; L41-M391 HydrophobicContact CG-CE 3.78Å; L41-M391 HydrophobicContact CG-SD 3.66Å
392L74.6Confident71.1Confident52 Ų5261.3 Ų61.327%0.27236%0.355SS..  trans-127.8137177.9-61.9174.1000110.6A397 L403L392-A397 HydrophobicContact CB-CB 4.29Å; L392-L403 HydrophobicContact CD1-CD1 3.42Å; L392-L403 VanDerWaalsContact CD1-CD1 3.42Å; L392-L403 HydrophobicContact CD1-CD2 3.64Å; L392-L403 HydrophobicContact CD1-CG 4.1Å
393N73.8Confident70.5Confident82 Ų8262.4 Ų62.444%0.43936%0.361SS..  trans-134.6138.3176-167-3000109.6T15T15-N393 PolarHBondContact O-ND2 2.66Å
394G65.8Low69.8Low44 Ų4462.4 Ų62.445%0.45436%0.358SS..SBendtrans141.7157175.700000114G396 A397G394-G396 PolarHBondContact O-N 3.02Å; G394-A397 WeakPolarHBondContact O-CB 3.32Å; G394-A397 PolarHBondContact O-N 3.4Å
395I53.8Low69.1Low192 Ų19256.6 Ų56.699%0.98533%0.333SS*.THydrogen-bonded Turntrans-68.7103.4172.1-57.8168.3000107
396G55Low68.2Low70 Ų7056.3 Ų56.372%0.72234%0.34SS*.THydrogen-bonded Turntrans1133.2-172.400000114.7G394 T398G394-G396 PolarHBondContact O-N 3.02Å; G396-T398 PolarHBondContact O-N 3.27Å
397A57.8Low67.1Low51 Ų5158.2 Ų58.242%0.42135%0.35SS..  trans-52.5115.2165.500000108.6L392 G394L392-A397 HydrophobicContact CB-CB 4.29Å; G394-A397 WeakPolarHBondContact O-CB 3.32Å; G394-A397 PolarHBondContact O-N 3.4Å
398T57Low65.8Low65 Ų6561.7 Ų61.740%0.39937%0.365SS..  trans-57138.6-178.9-58.10000109.1G396 Q400 V402 L403G396-T398 PolarHBondContact O-N 3.27Å; T398-Q400 PolarHBondContact O-N 3.4Å; T398-V402 HydrophobicContact CG2-CB 3.3Å; T398-V402 HydrophobicContact CG2-CG1 3.26Å; T398-V402 HydrophobicContact CG2-CG2 4.48Å; T398-L403 HydrophobicContact CG2-CB 4.44Å
399S60.9Low64.4Low71 Ų7170.1 Ų70.150%0.49740%0.404SS..  trans-55.5144.6177.866.80000109.6K401 V402 L403S399-K401 PolarHBondContact O-N 2.88Å; S399-V402 PolarHBondContact O-N 3.01Å; S399-V402 WeakPolarHBondContact OG-CG2 3.36Å; S399-L403 PolarHBondContact O-N 3.21Å; S399-L403 VanDerWaalsContact O-N 3.1Å
400Q62.5Low63Low119 Ų11973.5 Ų73.556%0.55643%0.434SS*.Hα-helixtrans-40.1-48.7177.5173.71771200110.8T398 V402 L403 T404 C421T398-Q400 PolarHBondContact O-N 3.4Å; Q400-V402 PolarHBondContact O-N 2.77Å; Q400-L403 PolarHBondContact O-N 2.85Å; Q400-T404 VanDerWaalsContact O-CB 3.3Å; Q400-T404 WeakPolarHBondContact O-CB 3.46Å; Q400-T404 PolarHBondContact O-N 3.48Å; Q400-T404 PolarHBondContact O-OG1 3.3Å; Q400-C421 VanDerWaalsContact CD-O 3.24Å; Q400-C421 HydrophobicContact CG-CB 4.06Å; Q400-C421 PolarHBondContact NE2-O 2.98Å
401K59.8Low61.7Low151 Ų15175.1 Ų75.166%0.65744%0.442SS*.Hα-helixtrans-55.5-49178.9-166178.4-179-178.50114.1S399 T404 D405S399-K401 PolarHBondContact O-N 2.88Å; K401-T404 PolarHBondContact O-N 3.23Å; K401-D405 WeakPolarHBondContact O-CB 3.25Å; K401-D405 PolarHBondContact O-N 2.96Å
402V62.5Low60.5Low81 Ų8182 Ų8249%0.49148%0.478SS..Hα-helixtrans-72.1-32.8-176.5174.70000111.1T398 S399 Q400 D405 A406T398-V402 HydrophobicContact CG2-CB 3.3Å; T398-V402 HydrophobicContact CG2-CG1 3.26Å; T398-V402 HydrophobicContact CG2-CG2 4.48Å; S399-V402 PolarHBondContact O-N 3.01Å; S399-V402 WeakPolarHBondContact OG-CG2 3.36Å; Q400-V402 PolarHBondContact O-N 2.77Å; V402-D405 PolarHBondContact O-N 2.79Å; V402-A406 WeakPolarHBondContact O-CB 3.42Å; V402-A406 PolarHBondContact O-N 3.1Å
403L63.5Low59.5Low33 Ų3387 Ų8717%0.17351%0.506CS..Hα-helixtrans-69.6-44.5173.7-154.597.1000111.2C390 L392 T398 S399 Q400 D405 A406 L407 C421C390-L403 HydrophobicContact CB-CD2 4.21Å; L392-L403 HydrophobicContact CD1-CD1 3.42Å; L392-L403 VanDerWaalsContact CD1-CD1 3.42Å; L392-L403 HydrophobicContact CD1-CD2 3.64Å; L392-L403 HydrophobicContact CD1-CG 4.1Å; T398-L403 HydrophobicContact CG2-CB 4.44Å; S399-L403 PolarHBondContact O-N 3.21Å; S399-L403 VanDerWaalsContact O-N 3.1Å; Q400-L403 PolarHBondContact O-N 2.85Å; L403-D405 VanDerWaalsContact C-N 3.26Å; L403-D405 PolarHBondContact O-N 2.86Å; L403-A406 PolarHBondContact O-N 3.45Å; L403-L407 HydrophobicContact CD2-CD1 3.78Å; L403-L407 HydrophobicContact CG-CD1 4.14Å; L403-L407 WeakPolarHBondContact O-CB 3.39Å; L403-L407 WeakPolarHBondContact O-CD1 3.23Å; L403-L407 VanDerWaalsContact O-CG 3.27Å; L403-L407 WeakPolarHBondContact O-CG 3.34Å; L403-L407 PolarHBondContact O-N 2.64Å; L403-C421 HydrophobicContact CD2-CB 4.39Å
404T62.3Low58.4Low18 Ų1887.7 Ų87.711%0.1152%0.517CS..Hα-helixtrans-57-42.3173.7-59.50000110.5Q400 K401 L407 K408 Y416Q400-T404 VanDerWaalsContact O-CB 3.3Å; Q400-T404 WeakPolarHBondContact O-CB 3.46Å; Q400-T404 PolarHBondContact O-N 3.48Å; Q400-T404 PolarHBondContact O-OG1 3.3Å; K401-T404 PolarHBondContact O-N 3.23Å; T404-L407 PolarHBondContact O-N 3.48Å; T404-K408 WeakPolarHBondContact O-CG 3.4Å; T404-K408 PolarHBondContact O-N 2.96Å; T404-Y416 HydrophobicContact CG2-CE2 3.62Å; T404-Y416 WeakPolarHBondContact CG2-OH 3.29Å
405D62.4Low57.8Low59 Ų5986.7 Ų86.732%0.31650%0.503SS..Hα-helixtrans-67.8-42.1176.9-67.2-24.7000112.4K401 V402 L403 L407 K408 E409K401-D405 WeakPolarHBondContact O-CB 3.25Å; K401-D405 PolarHBondContact O-N 2.96Å; V402-D405 PolarHBondContact O-N 2.79Å; L403-D405 VanDerWaalsContact C-N 3.26Å; L403-D405 PolarHBondContact O-N 2.86Å; D405-L407 VanDerWaalsContact C-N 3.28Å; D405-L407 PolarHBondContact O-N 3.35Å; D405-K408 WeakPolarHBondContact O-CB 2.95Å; D405-K408 PolarHBondContact O-N 2.98Å; D405-K408 IonicContact OD1-NZ 3.58Å; D405-K408 PolarHBondContact OD1-NZ 3.35Å; D405-E409 PolarHBondContact O-N 3.46Å
406A59.6Low57.4Low53 Ų5380.7 Ų80.744%0.43847%0.468SS..Hα-helixtrans-65.4-3217500000112.8V402 L403 E409 A410V402-A406 WeakPolarHBondContact O-CB 3.42Å; V402-A406 PolarHBondContact O-N 3.1Å; L403-A406 PolarHBondContact O-N 3.45Å; A406-E409 PolarHBondContact O-N 3Å; A406-A410 PolarHBondContact O-N 3.35Å
407L60.1Low57.3Low41 Ų4184.8 Ų84.822%0.21547%0.474CS..Hα-helixtrans-75.7-33.2176.1-73.1163.8000112.2L403 T404 D405 E409 A410 L411 M419L403-L407 HydrophobicContact CD2-CD1 3.78Å; L403-L407 HydrophobicContact CG-CD1 4.14Å; L403-L407 WeakPolarHBondContact O-CB 3.39Å; L403-L407 WeakPolarHBondContact O-CD1 3.23Å; L403-L407 VanDerWaalsContact O-CG 3.27Å; L403-L407 WeakPolarHBondContact O-CG 3.34Å; L403-L407 PolarHBondContact O-N 2.64Å; T404-L407 PolarHBondContact O-N 3.48Å; D405-L407 VanDerWaalsContact C-N 3.28Å; D405-L407 PolarHBondContact O-N 3.35Å; L407-E409 PolarHBondContact O-N 2.95Å; L407-A410 PolarHBondContact O-N 3.1Å; L407-A410 VanDerWaalsContact O-N 3.09Å; L407-L411 HydrophobicContact CB-CD1 4.47Å; L407-L411 HydrophobicContact CD2-CD1 4.47Å; L407-L411 WeakPolarHBondContact O-CB 3.44Å; L407-L411 PolarHBondContact O-N 3.04Å; L407-M419 HydrophobicContact CB-SD 4.3Å; L407-M419 HydrophobicContact CD1-CE 3.51Å; L407-M419 HydrophobicContact CD1-SD 4.06Å; L407-M419 HydrophobicContact CD2-CE 4.2Å; L407-M419 HydrophobicContact CD2-SD 4.44Å; L407-M419 HydrophobicContact CG-CE 4.36Å
408K57.3Low57.1Low87 Ų8783.3 Ų83.338%0.37846%0.458SS..Hα-helixtrans-55.7-41.5167.9-72.8170.6-169.8159.90111.7T404 D405 A410 Y416T404-K408 WeakPolarHBondContact O-CG 3.4Å; T404-K408 PolarHBondContact O-N 2.96Å; D405-K408 WeakPolarHBondContact O-CB 2.95Å; D405-K408 PolarHBondContact O-N 2.98Å; D405-K408 IonicContact OD1-NZ 3.58Å; D405-K408 PolarHBondContact OD1-NZ 3.35Å; K408-A410 PolarHBondContact O-N 2.86Å; K408-Y416 HydrophobicContact CB-CD2 4.31Å; K408-Y416 HydrophobicContact CB-CE2 4.35Å; K408-Y416 HydrophobicContact CD-CD2 4.38Å; K408-Y416 HydrophobicContact CD-CE2 3.79Å; K408-Y416 WeakPolarHBondContact CE-OH 3.39Å; K408-Y416 HydrophobicContact CG-CD2 3.31Å; K408-Y416 HydrophobicContact CG-CE1 4.47Å; K408-Y416 HydrophobicContact CG-CE2 3.05Å; K408-Y416 HydrophobicContact CG-CG 4.16Å; K408-Y416 PolarHBondContact NZ-OH 3.2Å
409E56.9Low56.9Low179 Ų17981 Ų8184%0.83644%0.443SS*.Hα-helixtrans-71.3-22180-69.4-178.5176.600112.4D405 A406 L407D405-E409 PolarHBondContact O-N 3.46Å; A406-E409 PolarHBondContact O-N 3Å; L407-E409 PolarHBondContact O-N 2.95Å
410A55.3Low56.7Low79 Ų7980.7 Ų80.765%0.65343%0.434SS*.Hα-helixtrans-101-16.5-174.500000114.7A406 L407 K408A406-A410 PolarHBondContact O-N 3.35Å; L407-A410 PolarHBondContact O-N 3.1Å; L407-A410 VanDerWaalsContact O-N 3.09Å; K408-A410 PolarHBondContact O-N 2.86Å
411L54.8Low56.2Low50 Ų5075.5 Ų75.526%0.26241%0.41SS..SBendtrans-118.4131.9-176.6-67.7166.5000110.1L407 M419L407-L411 HydrophobicContact CB-CD1 4.47Å; L407-L411 HydrophobicContact CD2-CD1 4.47Å; L407-L411 WeakPolarHBondContact O-CB 3.44Å; L407-L411 PolarHBondContact O-N 3.04Å; L411-M419 HydrophobicContact CD1-SD 3.27Å; L411-M419 WeakPolarHBondContact CD1-SD 3.42Å
412D55.7Low55.6Low144 Ų14471 Ų7177%0.7740%0.401SS*.  trans-55.6140.7173.6-69.5-31.9000110.6S414 S415D412-S414 PolarHBondContact O-N 2.69Å; D412-S415 PolarHBondContact O-N 3.46Å
413D52.7Low55.3Low159 Ų15970.5 Ų70.585%0.8540%0.396SS*.G310 helixtrans-43.1-27.1-166.8-83.7-29.8000116.2
414S51.6Low54.9Low96 Ų9672.4 Ų72.467%0.67141%0.408SS*.G310 helixtrans-77.1-17.8-177.258.60000116D412D412-S414 PolarHBondContact O-N 2.69Å
415S52.9Low54.5Low22 Ų2275.4 Ų75.415%0.15442%0.424CS..G310 helixtrans-94.5-1.3-177.4-59.50000113.4D412D412-S415 PolarHBondContact O-N 3.46Å
416Y44.4Very low54Low66 Ų6676.4 Ų76.426%0.25943%0.431SS..G310 helixtrans-78-41.2-165.7176.5-100.4000114.2T404 K408 Q418 M419T404-Y416 HydrophobicContact CG2-CE2 3.62Å; T404-Y416 WeakPolarHBondContact CG2-OH 3.29Å; K408-Y416 HydrophobicContact CB-CD2 4.31Å; K408-Y416 HydrophobicContact CB-CE2 4.35Å; K408-Y416 HydrophobicContact CD-CD2 4.38Å; K408-Y416 HydrophobicContact CD-CE2 3.79Å; K408-Y416 WeakPolarHBondContact CE-OH 3.39Å; K408-Y416 HydrophobicContact CG-CD2 3.31Å; K408-Y416 HydrophobicContact CG-CE1 4.47Å; K408-Y416 HydrophobicContact CG-CE2 3.05Å; K408-Y416 HydrophobicContact CG-CG 4.16Å; K408-Y416 PolarHBondContact NZ-OH 3.2Å; Y416-Q418 PolarHBondContact O-N 3.22Å; Y416-M419 PolarHBondContact O-N 3.07Å
417D52.7Low53.6Low157 Ų15777.9 Ų77.984%0.8443%0.43SS*.G310 helixtrans-65.6-9-178.6-71.3-22.5000113.5
418Q54.3Low53.2Low19 Ų1980.3 Ų80.39%0.08945%0.445CS..G310 helixtrans-90.9-9.3-177.5-69.5163.824.500113.9G383 E384 T386 L388 Y416G383-Q418 PolarHBondContact O-NE2 3.34Å; G383-Q418 VanDerWaalsContact O-NE2 3.12Å; G383-Q418 PolarHBondContact O-OE1 3.25Å; G383-Q418 VanDerWaalsContact O-OE1 3.08Å; E384-Q418 VanDerWaalsContact CA-NE2 3.3Å; T386-Q418 VanDerWaalsContact O-CB 3.29Å; T386-Q418 WeakPolarHBondContact O-CB 3.35Å; T386-Q418 WeakPolarHBondContact O-CG 3.41Å; L388-Q418 PolarHBondContact N-O 3.02Å; Y416-Q418 PolarHBondContact O-N 3.22Å
419M52.5Low52.9Low18 Ų1879.9 Ų79.99%0.08945%0.45CS..EExtended strand (participates in β ladder)trans-103.2121.6-173.5-66.6-16377.500113.7I31 L388 L407 L411 Y416I31-M419 HydrophobicContact CD1-CE 4.45Å; L388-M419 HydrophobicContact CB-CB 4.5Å; L388-M419 HydrophobicContact CB-CE 4.34Å; L388-M419 HydrophobicContact CB-CG 3.88Å; L388-M419 HydrophobicContact CD1-CE 4.21Å; L388-M419 HydrophobicContact CD1-CG 3.7Å; L388-M419 HydrophobicContact CD1-SD 4.11Å; L388-M419 HydrophobicContact CG-CG 4.3Å; L407-M419 HydrophobicContact CB-SD 4.3Å; L407-M419 HydrophobicContact CD1-CE 3.51Å; L407-M419 HydrophobicContact CD1-SD 4.06Å; L407-M419 HydrophobicContact CD2-CE 4.2Å; L407-M419 HydrophobicContact CD2-SD 4.44Å; L407-M419 HydrophobicContact CG-CE 4.36Å; L411-M419 HydrophobicContact CD1-SD 3.27Å; L411-M419 WeakPolarHBondContact CD1-SD 3.42Å; Y416-M419 PolarHBondContact O-N 3.07Å
420E56.4Low52.6Low64 Ų6472.2 Ų72.230%0.29942%0.42SS..EExtended strand (participates in β ladder)trans-115.8137.7163.8-74.9-179.9-163.800109.7K387 L388 W389 C390K387-E420 VanDerWaalsContact CE-OE1 3.3Å; K387-E420 WeakPolarHBondContact CE-OE1 3.24Å; K387-E420 VanDerWaalsContact CE-OE2 3.25Å; K387-E420 WeakPolarHBondContact CE-OE2 3.44Å; K387-E420 IonicContact NZ-OE1 2.66Å; K387-E420 PolarHBondContact NZ-OE1 2.84Å; K387-E420 IonicContact NZ-OE2 3.02Å; K387-E420 PolarHBondContact NZ-OE2 3.41Å; K387-E420 VanDerWaalsContact NZ-OE2 3.09Å; L388-E420 PolarHBondContact O-N 2.92Å; L388-E420 VanDerWaalsContact O-O 3.05Å; W389-E420 VanDerWaalsContact CA-O 3.29Å; W389-E420 WeakPolarHBondContact CA-O 2.68Å; W389-E420 HydrophobicContact CD2-CB 4.47Å; W389-E420 HydrophobicContact CE3-CB 4.15Å; W389-E420 HydrophobicContact CH2-CB 4.04Å; W389-E420 WeakPolarHBondContact CH2-OE2 3.15Å; W389-E420 HydrophobicContact CZ2-CB 4.32Å; W389-E420 WeakPolarHBondContact CZ2-OE2 3.25Å; W389-E420 HydrophobicContact CZ3-CB 3.95Å; C390-E420 PolarHBondContact N-O 2.63Å
421C52.5Low52.4Low10 Ų1071.7 Ų71.77%0.06840%0.4CS..EExtended strand (participates in β ladder)trans-108.6134.3174.6-49.70000109.1C390 Q400 L403C390-C421 HydrophobicContact CB-CB 4.17Å; C390-C421 WeakPolarHBondContact O-CA 3.37Å; Q400-C421 VanDerWaalsContact CD-O 3.24Å; Q400-C421 HydrophobicContact CG-CB 4.06Å; Q400-C421 PolarHBondContact NE2-O 2.98Å; L403-C421 HydrophobicContact CD2-CB 4.39Å
422A48.3Very low52.2Low55 Ų5573.6 Ų73.646%0.45541%0.413SS..  trans-125.40-175.500000111.9V19 W389 C390V19-A422 HydrophobicContact CG1-CB 4.06Å; W389-A422 HydrophobicContact CE3-CB 3.92Å; W389-A422 HydrophobicContact CZ3-CB 4.02Å; C390-A422 PolarHBondContact O-N 3.31Å

Retrieved 422 of 422 residues in 187.8 ms (Link to these results)

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