A0A077YYQ2_TRITR Loading...

Cyclin dependent kinase 9

AlphaFold DB , UniProt , Accession A0A077YYQ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 369 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
1M45.7Very low68.4Low241 Ų241118.5 Ų118.5100%1.18760%0.598SS**  0124.50-66.9179.8-161.200107
2A55.8Low68.9Low52 Ų52119.3 Ų119.343%0.4360%0.604SS.*  trans-58.3138.6170.500000108.6L6 I7A2-L6 HydrophobicContact CB-CB 4.37Å; A2-L6 HydrophobicContact CB-CD2 3.93Å; A2-L6 HydrophobicContact CB-CG 4.41Å; A2-I7 HydrophobicContact CB-CD1 4.37Å; A2-I7 HydrophobicContact CB-CG1 3.92Å
3S72.7Confident69.2Low69 Ų69116.6 Ų116.648%0.48359%0.587SS.*  trans-60.3147.5174.470.70000109.1N5 L6 I7S3-N5 PolarHBondContact O-N 2.86Å; S3-N5 VanDerWaalsContact O-N 3.07Å; S3-L6 WeakPolarHBondContact O-CA 3.5Å; S3-L6 WeakPolarHBondContact O-CB 3.46Å; S3-L6 PolarHBondContact O-N 3.08Å; S3-L6 PolarHBondContact OG-N 3.21Å; S3-I7 PolarHBondContact O-N 3.24Å; S3-I7 VanDerWaalsContact O-N 3.11Å
4Q72.6Confident69.5Low171 Ų171117.5 Ų117.580%0.79959%0.594SS**Hα-helixtrans-51.2-34.3175.4-91.1177.4-18.700111.8I7 K8Q4-I7 PolarHBondContact O-N 3.19Å; Q4-K8 WeakPolarHBondContact O-CB 3.46Å; Q4-K8 PolarHBondContact O-N 3.42Å
5N74.2Confident70.1Confident128 Ų128116.7 Ų116.768%0.68459%0.585SS**Hα-helixtrans-63.7-39175.1-68.2-15.1000112.9S3 Y9S3-N5 PolarHBondContact O-N 2.86Å; S3-N5 VanDerWaalsContact O-N 3.07Å; N5-Y9 VanDerWaalsContact O-CB 3.27Å; N5-Y9 WeakPolarHBondContact O-CB 2.98Å; N5-Y9 PolarHBondContact O-N 2.84Å
6L71.5Confident70.8Confident81 Ų81114.8 Ų114.842%0.42458%0.584SS.*Hα-helixtrans-69.7-39.6176.6-177.262.8000111.6A2 S3 Y9 L10A2-L6 HydrophobicContact CB-CB 4.37Å; A2-L6 HydrophobicContact CB-CD2 3.93Å; A2-L6 HydrophobicContact CB-CG 4.41Å; S3-L6 WeakPolarHBondContact O-CA 3.5Å; S3-L6 WeakPolarHBondContact O-CB 3.46Å; S3-L6 PolarHBondContact O-N 3.08Å; S3-L6 PolarHBondContact OG-N 3.21Å; L6-Y9 PolarHBondContact O-N 3.14Å; L6-L10 HydrophobicContact CD1-CD1 4.42Å; L6-L10 HydrophobicContact CD1-CG 4.44Å; L6-L10 HydrophobicContact CG-CD1 4.15Å; L6-L10 WeakPolarHBondContact O-CB 3.41Å; L6-L10 VanDerWaalsContact O-CG 3.23Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 3.1Å
7I70.4Confident71.7Confident77 Ų77120.9 Ų120.940%0.39560%0.6SS.*Hα-helixtrans-61.9-48.2175.3-63.7174.1000109.8A2 S3 Q4 Y9 L10 E11A2-I7 HydrophobicContact CB-CD1 4.37Å; A2-I7 HydrophobicContact CB-CG1 3.92Å; S3-I7 PolarHBondContact O-N 3.24Å; S3-I7 VanDerWaalsContact O-N 3.11Å; Q4-I7 PolarHBondContact O-N 3.19Å; I7-Y9 PolarHBondContact O-N 3Å; I7-L10 PolarHBondContact O-N 3.17Å; I7-L10 VanDerWaalsContact O-N 3.16Å; I7-E11 HydrophobicContact CG2-CG 4.43Å; I7-E11 WeakPolarHBondContact O-CG 3.4Å; I7-E11 PolarHBondContact O-N 2.56Å
8K70.1Confident72.6Confident133 Ų133117.9 Ų117.958%0.57859%0.585SS**Hα-helixtrans-62.9-43.7179.4-151.8177-172.3-177.30112Q4 L10 E11 D12Q4-K8 WeakPolarHBondContact O-CB 3.46Å; Q4-K8 PolarHBondContact O-N 3.42Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-L10 PolarHBondContact O-N 3.17Å; K8-E11 PolarHBondContact O-N 3.47Å; K8-D12 WeakPolarHBondContact O-CB 3.23Å; K8-D12 PolarHBondContact O-N 3.12Å
9Y76.6Confident73.6Confident135 Ų135117.3 Ų117.353%0.52958%0.581SS.*Hα-helixtrans-55.9-46.7172.4176.2-96.3000111.6N5 L6 I7 D12 F13N5-Y9 VanDerWaalsContact O-CB 3.27Å; N5-Y9 WeakPolarHBondContact O-CB 2.98Å; N5-Y9 PolarHBondContact O-N 2.84Å; L6-Y9 PolarHBondContact O-N 3.14Å; I7-Y9 PolarHBondContact O-N 3Å; Y9-D12 PolarHBondContact O-N 2.97Å; Y9-F13 AromaticContact CE1-CD2 3.74Å; Y9-F13 HydrophobicContact CE1-CD2 3.74Å; Y9-F13 HydrophobicContact CE1-CE2 4.22Å; Y9-F13 HydrophobicContact CE1-CG 4.42Å; Y9-F13 HydrophobicContact CE2-CD2 4.02Å; Y9-F13 HydrophobicContact CE2-CE2 4.43Å; Y9-F13 AromaticContact CZ-CD2 3.45Å; Y9-F13 VanDerWaalsContact CZ-CD2 3.45Å; Y9-F13 AromaticContact CZ-CE2 3.69Å; Y9-F13 VanDerWaalsContact O-CB 3.25Å; Y9-F13 WeakPolarHBondContact O-CB 3.2Å; Y9-F13 PolarHBondContact O-N 3Å; Y9-F13 WeakPolarHBondContact OH-CD2 3.4Å; Y9-F13 WeakPolarHBondContact OH-CE2 3.48Å
10L71.9Confident74.5Confident90 Ų90115.1 Ų115.147%0.47157%0.571SS.*Hα-helixtrans-67.6-33.7179.6-72169.1000113.3L6 I7 K8L6-L10 HydrophobicContact CD1-CD1 4.42Å; L6-L10 HydrophobicContact CD1-CG 4.44Å; L6-L10 HydrophobicContact CG-CD1 4.15Å; L6-L10 WeakPolarHBondContact O-CB 3.41Å; L6-L10 VanDerWaalsContact O-CG 3.23Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 3.1Å; I7-L10 PolarHBondContact O-N 3.17Å; I7-L10 VanDerWaalsContact O-N 3.16Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-L10 PolarHBondContact O-N 3.17Å
11E71.4Confident75.4Confident127 Ų127110.1 Ų110.159%0.59355%0.547SS*.Hα-helixtrans-69.9-37.7176.7-75177.6165.700112.4I7 K8I7-E11 HydrophobicContact CG2-CG 4.43Å; I7-E11 WeakPolarHBondContact O-CG 3.4Å; I7-E11 PolarHBondContact O-N 2.56Å; K8-E11 PolarHBondContact O-N 3.47Å
12D74.1Confident77.7Confident127 Ų127100.2 Ų100.268%0.67951%0.507SS*.Hα-helixtrans-87.4-14.1180-67-28.4000113.1K8 Y9 N14K8-D12 WeakPolarHBondContact O-CB 3.23Å; K8-D12 PolarHBondContact O-N 3.12Å; Y9-D12 PolarHBondContact O-N 2.97Å; D12-N14 PolarHBondContact O-N 3.06Å
13F72.3Confident79.5Confident85 Ų8599.9 Ų99.937%0.37350%0.495SS..  trans-66.1122.9-177.5-161.8-98.6000111.1Y9 F15Y9-F13 AromaticContact CE1-CD2 3.74Å; Y9-F13 HydrophobicContact CE1-CD2 3.74Å; Y9-F13 HydrophobicContact CE1-CE2 4.22Å; Y9-F13 HydrophobicContact CE1-CG 4.42Å; Y9-F13 HydrophobicContact CE2-CD2 4.02Å; Y9-F13 HydrophobicContact CE2-CE2 4.43Å; Y9-F13 AromaticContact CZ-CD2 3.45Å; Y9-F13 VanDerWaalsContact CZ-CD2 3.45Å; Y9-F13 AromaticContact CZ-CE2 3.69Å; Y9-F13 VanDerWaalsContact O-CB 3.25Å; Y9-F13 WeakPolarHBondContact O-CB 3.2Å; Y9-F13 PolarHBondContact O-N 3Å; Y9-F13 WeakPolarHBondContact OH-CD2 3.4Å; Y9-F13 WeakPolarHBondContact OH-CE2 3.48Å; F13-F15 HydrophobicContact CB-CE2 4.15Å; F13-F15 HydrophobicContact CB-CZ 4.3Å; F13-F15 AromaticContact CD1-CD1 3.84Å; F13-F15 HydrophobicContact CD1-CD1 3.84Å; F13-F15 HydrophobicContact CD1-CD2 4.16Å; F13-F15 AromaticContact CD1-CE1 3.63Å; F13-F15 HydrophobicContact CD1-CE1 3.63Å; F13-F15 AromaticContact CD1-CE2 3.95Å; F13-F15 HydrophobicContact CD1-CE2 3.95Å; F13-F15 HydrophobicContact CD1-CG 4.11Å; F13-F15 AromaticContact CD1-CZ 3.69Å; F13-F15 HydrophobicContact CD1-CZ 3.69Å; F13-F15 HydrophobicContact CE1-CD1 4.1Å; F13-F15 HydrophobicContact CE1-CE1 4.06Å; F13-F15 HydrophobicContact CG-CZ 4.4Å; F13-F15 WeakPolarHBondContact O-CD2 3.23Å
14N74Confident80.7Confident129 Ų12997.1 Ų97.169%0.6948%0.475SS*.  trans-80.3121.1172.9-174.114.3000109.6D12 P16D12-N14 PolarHBondContact O-N 3.06Å; N14-P16 WeakPolarHBondContact O-CD 3.35Å
15F78.7Confident81.8Confident106 Ų10694 Ų9447%0.46546%0.46SS..  trans-97.589.6175.2-65.9-85.1000109.6F13 Y17 I18F13-F15 HydrophobicContact CB-CE2 4.15Å; F13-F15 HydrophobicContact CB-CZ 4.3Å; F13-F15 AromaticContact CD1-CD1 3.84Å; F13-F15 HydrophobicContact CD1-CD1 3.84Å; F13-F15 HydrophobicContact CD1-CD2 4.16Å; F13-F15 AromaticContact CD1-CE1 3.63Å; F13-F15 HydrophobicContact CD1-CE1 3.63Å; F13-F15 AromaticContact CD1-CE2 3.95Å; F13-F15 HydrophobicContact CD1-CE2 3.95Å; F13-F15 HydrophobicContact CD1-CG 4.11Å; F13-F15 AromaticContact CD1-CZ 3.69Å; F13-F15 HydrophobicContact CD1-CZ 3.69Å; F13-F15 HydrophobicContact CE1-CD1 4.1Å; F13-F15 HydrophobicContact CE1-CE1 4.06Å; F13-F15 HydrophobicContact CG-CZ 4.4Å; F13-F15 WeakPolarHBondContact O-CD2 3.23Å; F15-Y17 PolarHBondContact O-N 3.04Å; F15-I18 HydrophobicContact CB-CB 4.44Å; F15-I18 PolarHBondContact O-N 3.26Å
16P81.5Confident82.8Confident86 Ų8692.3 Ų92.356%0.55845%0.447SS*.THydrogen-bonded Turntrans-65.5-18.8-167.326.2-36.5000114.6N14N14-P16 WeakPolarHBondContact O-CD 3.35Å
17Y85.4Confident83.9Confident219 Ų21992.1 Ų92.186%0.85945%0.446SS*.THydrogen-bonded Turntrans-104.5-0.9-177-54-67.9000113.8F15F15-Y17 PolarHBondContact O-N 3.04Å
18I88.4Confident85Confident66 Ų6692.5 Ų92.534%0.33845%0.447SS..SBendtrans-125.7102175.8-59.4179.9000107.7F15F15-I18 HydrophobicContact CB-CB 4.44Å; F15-I18 PolarHBondContact O-N 3.26Å
19E90.6Very high86.1Confident106 Ų10688.2 Ų88.250%0.49543%0.429SS..EExtended strand (participates in β ladder)trans-76.7156.2178.3-66-171.4-155.400112.1K23 C90 S91E19-K23 HydrophobicContact CB-CD 4.04Å; E19-K23 IonicContact OE1-NZ 2.66Å; E19-K23 WeakPolarHBondContact OE2-CD 3.35Å; E19-K23 WeakPolarHBondContact OE2-CE 3.4Å; E19-K23 IonicContact OE2-NZ 2.59Å; E19-K23 PolarHBondContact OE2-NZ 3.22Å; E19-C90 VanDerWaalsContact O-CA 3.32Å; E19-C90 WeakPolarHBondContact O-CA 3.39Å; E19-C90 WeakPolarHBondContact O-CB 3.33Å; E19-S91 PolarHBondContact O-N 2.87Å
20D91.5Very high86.7Confident74 Ų7482.4 Ų82.440%0.39641%0.407SS..EExtended strand (participates in β ladder)trans-73.3134.4174.6-173.7-91.9000110.7G22 K23 S91D20-G22 PolarHBondContact O-N 3.21Å; D20-G22 VanDerWaalsContact O-N 3.09Å; D20-G22 WeakPolarHBondContact OD1-CA 3.36Å; D20-G22 PolarHBondContact OD1-N 2.89Å; D20-K23 WeakPolarHBondContact O-CG 3.49Å; D20-K23 PolarHBondContact O-N 3.34Å; D20-S91 CarbonylContact C-O 3.57Å; D20-S91 WeakPolarHBondContact CA-O 3.33Å
21V94.2Very high87.2Confident11 Ų1178.8 Ų78.87%0.06739%0.391CS..G310 helixtrans-62.7-17.5-179.773.80000112.3K23 F24 L52 C90 S91 Y105V21-K23 PolarHBondContact O-N 3.5Å; V21-K23 VanDerWaalsContact O-N 3.1Å; V21-F24 HydrophobicContact CG2-CD2 4.37Å; V21-F24 WeakPolarHBondContact O-CB 3.41Å; V21-F24 PolarHBondContact O-N 3.04Å; V21-L52 HydrophobicContact CG2-CD1 3.99Å; V21-C90 HydrophobicContact CB-CB 4.03Å; V21-C90 HydrophobicContact CG2-CB 4.36Å; V21-S91 PolarHBondContact N-O 2.9Å; V21-Y105 HydrophobicContact CB-CD2 3.97Å; V21-Y105 HydrophobicContact CB-CE2 4.28Å; V21-Y105 HydrophobicContact CG1-CD2 4.15Å; V21-Y105 HydrophobicContact CG1-CE2 3.96Å; V21-Y105 HydrophobicContact CG2-CD2 3.7Å; V21-Y105 HydrophobicContact CG2-CE2 4.09Å; V21-Y105 HydrophobicContact CG2-CG 3.99Å
22G93Very high87.6Confident32 Ų3278.6 Ų78.633%0.3339%0.391SS..G310 helixtrans-60.6-13174.600000114.3D20 F24 K44D20-G22 PolarHBondContact O-N 3.21Å; D20-G22 VanDerWaalsContact O-N 3.09Å; D20-G22 WeakPolarHBondContact OD1-CA 3.36Å; D20-G22 PolarHBondContact OD1-N 2.89Å; G22-F24 PolarHBondContact O-N 3.22Å; G22-K44 VanDerWaalsContact O-CE 3.28Å; G22-K44 WeakPolarHBondContact O-CE 3.39Å; G22-K44 PolarHBondContact O-NZ 3.02Å
23K94.6Very high87.4Confident45 Ų4574.2 Ų74.220%0.19638%0.376CS..G310 helixtrans-68.4-14.9166.776.9-175.6-178.5168.30113.8E19 D20 V21 K44 E88E19-K23 HydrophobicContact CB-CD 4.04Å; E19-K23 IonicContact OE1-NZ 2.66Å; E19-K23 WeakPolarHBondContact OE2-CD 3.35Å; E19-K23 WeakPolarHBondContact OE2-CE 3.4Å; E19-K23 IonicContact OE2-NZ 2.59Å; E19-K23 PolarHBondContact OE2-NZ 3.22Å; D20-K23 WeakPolarHBondContact O-CG 3.49Å; D20-K23 PolarHBondContact O-N 3.34Å; V21-K23 PolarHBondContact O-N 3.5Å; V21-K23 VanDerWaalsContact O-N 3.1Å; K23-K44 WeakPolarHBondContact O-CB 3.18Å; K23-K44 WeakPolarHBondContact O-CG 3.25Å; K23-K44 PolarHBondContact O-N 3.09Å; K23-E88 VanDerWaalsContact CE-OE1 3.25Å; K23-E88 WeakPolarHBondContact CE-OE1 3.16Å; K23-E88 WeakPolarHBondContact CE-OE2 3.39Å; K23-E88 IonicContact NZ-OE1 2.82Å; K23-E88 PolarHBondContact NZ-OE1 3.02Å; K23-E88 IonicContact NZ-OE2 3.88Å; K23-E88 PolarHBondContact NZ-OE2 3.23Å
24F96.8Very high87Confident12 Ų1272.3 Ų72.35%0.05337%0.371CS..EExtended strand (participates in β ladder)trans-105.5140174-59.5-74000111.1V21 G22 A41 R42 C43 V50 L52 V107V21-F24 HydrophobicContact CG2-CD2 4.37Å; V21-F24 WeakPolarHBondContact O-CB 3.41Å; V21-F24 PolarHBondContact O-N 3.04Å; G22-F24 PolarHBondContact O-N 3.22Å; F24-A41 HydrophobicContact CB-CB 4.14Å; F24-R42 CarbonylContact C-O 3.57Å; F24-R42 VanDerWaalsContact CA-O 3.31Å; F24-R42 WeakPolarHBondContact CA-O 3.42Å; F24-C43 HydrophobicContact CD1-CB 3.99Å; F24-C43 HydrophobicContact CE1-CB 3.82Å; F24-V50 HydrophobicContact CD1-CG2 3.57Å; F24-V50 HydrophobicContact CE1-CB 4.47Å; F24-V50 HydrophobicContact CE1-CG1 4.03Å; F24-V50 HydrophobicContact CE1-CG2 3.69Å; F24-V50 HydrophobicContact CG-CG2 4.29Å; F24-V50 HydrophobicContact CZ-CG2 4.45Å; F24-L52 HydrophobicContact CB-CD1 4.07Å; F24-L52 HydrophobicContact CD2-CD2 3.99Å; F24-L52 HydrophobicContact CE2-CD2 4.32Å; F24-L52 HydrophobicContact CG-CD2 4.27Å; F24-V107 HydrophobicContact CE1-CG1 4.29Å; F24-V107 HydrophobicContact CE2-CG1 4.13Å; F24-V107 HydrophobicContact CE2-CG2 3.89Å; F24-V107 HydrophobicContact CZ-CG1 3.73Å; F24-V107 HydrophobicContact CZ-CG2 4.29Å
25E96.3Very high86.7Confident104 Ų10467.7 Ų67.749%0.48635%0.345SS..EExtended strand (participates in β ladder)trans-95.6114.7168.9-178-170.3-173.400108.7I27 A41 R42 K44E25-I27 PolarHBondContact O-N 2.93Å; E25-A41 CarbonylContact O-C 3.55Å; E25-A41 WeakPolarHBondContact O-CA 3.25Å; E25-A41 VanDerWaalsContact O-CB 3.27Å; E25-A41 WeakPolarHBondContact O-CB 3.35Å; E25-R42 PolarHBondContact N-O 3.35Å; E25-R42 PolarHBondContact O-N 3.1Å; E25-K44 HydrophobicContact CB-CG 4.36Å
26K95.3Very high86.7Confident93 Ų9362.9 Ų62.940%0.40433%0.325SS..EExtended strand (participates in β ladder)trans-70.7128.5174.9-68.5176.7-176.5170.40109.3F39 L52 Y105K26-F39 HydrophobicContact CD-CD1 4.48Å; K26-F39 HydrophobicContact CD-CG 4.43Å; K26-L52 HydrophobicContact CG-CD1 4.11Å; K26-Y105 PolarHBondContact NZ-OH 3.35Å
27I95.4Very high87.1Confident78 Ų7861 Ų6140%0.431%0.309SS..EExtended strand (participates in β ladder)trans-99.6-58.7-178.6-61.8166.1000110.2E25 K40 R42 L49E25-I27 PolarHBondContact O-N 2.93Å; I27-K40 HydrophobicContact CB-CG 4.44Å; I27-K40 HydrophobicContact CD1-CD 4.45Å; I27-K40 HydrophobicContact CD1-CG 4.21Å; I27-K40 PolarHBondContact N-O 3.21Å; I27-R42 HydrophobicContact CD1-CB 4.02Å; I27-L49 HydrophobicContact CD1-CD2 3.76Å
28I93.6Very high87.5Confident84 Ų8452.4 Ų52.443%0.43128%0.279SS..EExtended strand (participates in β ladder)trans-154.6148.2-175.2-168.1168.6000110.6V30 F39 K40I28-V30 HydrophobicContact CG2-CG1 3.92Å; I28-F39 CarbonylContact O-C 3.6Å; I28-F39 WeakPolarHBondContact O-CA 3.45Å; I28-K40 HydrophobicContact CG2-CB 3.96Å; I28-K40 HydrophobicContact CG2-CD 4.18Å; I28-K40 PolarHBondContact N-O 3.13Å; I28-K40 PolarHBondContact O-N 2.85Å
29K92.1Very high87.8Confident44 Ų4450.8 Ų50.819%0.19127%0.27CS..EExtended strand (participates in β ladder)trans-74.4125169.4-174.7172.1172.5177.80109.2E37 F39 Y339K29-E37 WeakPolarHBondContact CE-OE1 3.44Å; K29-E37 IonicContact NZ-OE1 2.73Å; K29-E37 PolarHBondContact NZ-OE1 3.23Å; K29-F39 HydrophobicContact CB-CD1 3.95Å; K29-F39 HydrophobicContact CB-CE1 3.88Å; K29-F39 HydrophobicContact CD-CE1 4.35Å; K29-F39 HydrophobicContact CD-CZ 4.49Å; K29-F39 HydrophobicContact CG-CD1 4.44Å; K29-F39 HydrophobicContact CG-CE1 4.19Å; K29-Y339 WeakPolarHBondContact CE-OH 3.28Å; K29-Y339 HydrophobicContact CG-CE1 4.19Å
30V89.3Confident88Confident12 Ų1247.8 Ų47.87%0.07326%0.255CS..EExtended strand (participates in β ladder)trans-113-9.5-176.1-65.20000113.2I28 V38 K40 F110 F337 Y339I28-V30 HydrophobicContact CG2-CG1 3.92Å; V30-V38 HydrophobicContact CG2-CB 4.13Å; V30-V38 HydrophobicContact CG2-CG1 3.74Å; V30-V38 WeakPolarHBondContact CG2-O 3.32Å; V30-V38 PolarHBondContact N-O 2.72Å; V30-K40 HydrophobicContact CG1-CB 3.75Å; V30-F110 HydrophobicContact CG1-CE2 4.45Å; V30-F337 HydrophobicContact CB-CD2 3.9Å; V30-F337 HydrophobicContact CB-CE2 3.87Å; V30-F337 HydrophobicContact CB-CG 4.39Å; V30-F337 HydrophobicContact CB-CZ 4.35Å; V30-F337 HydrophobicContact CG1-CD2 3.99Å; V30-F337 HydrophobicContact CG1-CE2 3.72Å; V30-F337 HydrophobicContact CG1-CZ 4.46Å; V30-Y339 WeakPolarHBondContact O-CB 3.2Å
31G82.8Confident88.3Confident14 Ų1444.2 Ų44.214%0.14424%0.236CC..EExtended strand (participates in β ladder)trans-164.9157.8177.400000112.8V38G31-V38 PolarHBondContact N-O 3.33Å; G31-V38 PolarHBondContact O-N 3.13Å
32Q80.2Confident88.4Confident124 Ų12448.5 Ų48.558%0.57925%0.251SS*.EExtended strand (participates in β ladder)trans-144.6123.9168.9-177.2173-16.200108.1Y339Q32-Y339 HydrophobicContact CB-CD2 4.36Å; Q32-Y339 HydrophobicContact CB-CE2 3.71Å
33G68.6Low88.6Confident35 Ų3547.9 Ų47.936%0.36124%0.241SC..EExtended strand (participates in β ladder)trans-137.7-170.8178.300000111.6F35 G36G33-F35 PolarHBondContact O-N 3.36Å; G33-G36 PolarHBondContact N-O 2.94Å; G33-G36 PolarHBondContact O-N 2.79Å
34T65.4Low88.7Confident45 Ų4552.1 Ų52.128%0.27626%0.26SS..THydrogen-bonded Turntrans-57-33.2-178.5-40.90000113V353T34-V353 WeakPolarHBondContact OG1-CB 3.24Å; T34-V353 WeakPolarHBondContact OG1-CG1 3.09Å
35F67.7Low88.7Confident32 Ų3261.5 Ų61.514%0.1430%0.301CS..THydrogen-bonded Turntrans-96.40.1-174.6-56.6-69.8000114G33 T67 L175G33-F35 PolarHBondContact O-N 3.36Å; F35-T67 HydrophobicContact CE1-CG2 4.4Å; F35-L175 HydrophobicContact CE2-CD1 4.47Å; F35-L175 HydrophobicContact CE2-CD2 4.26Å; F35-L175 HydrophobicContact CE2-CG 3.78Å; F35-L175 HydrophobicContact CZ-CD2 3.57Å; F35-L175 HydrophobicContact CZ-CG 3.61Å
36G77.9Confident88.7Confident5 Ų560.5 Ų60.55%0.05230%0.302CS..EExtended strand (participates in β ladder)trans134-161.2173.700000115.3G33 L56G33-G36 PolarHBondContact N-O 2.94Å; G33-G36 PolarHBondContact O-N 2.79Å; G36-L56 VanDerWaalsContact CA-CG 3.48Å
37E89.7Confident88.7Confident47 Ų4757.7 Ų57.722%0.2230%0.299CS..EExtended strand (participates in β ladder)trans-102.6137.7-174.4-57.6178.9108.800109.7K29 F39 K54K29-E37 WeakPolarHBondContact CE-OE1 3.44Å; K29-E37 IonicContact NZ-OE1 2.73Å; K29-E37 PolarHBondContact NZ-OE1 3.23Å; E37-F39 HydrophobicContact CB-CD2 4.4Å; E37-F39 HydrophobicContact CB-CE2 3.57Å; E37-F39 HydrophobicContact CB-CZ 4Å; E37-K54 HydrophobicContact CB-CB 4.5Å; E37-K54 PolarHBondContact O-N 3.21Å; E37-K54 IonicContact OE2-NZ 3.67Å
38V93.7Very high88.6Confident38 Ų3863 Ų6323%0.2331%0.314CS..EExtended strand (participates in β ladder)trans-111.5126.9177.5-171.60000109.1V30 G31 A51 L52 K53V30-V38 HydrophobicContact CG2-CB 4.13Å; V30-V38 HydrophobicContact CG2-CG1 3.74Å; V30-V38 WeakPolarHBondContact CG2-O 3.32Å; V30-V38 PolarHBondContact N-O 2.72Å; G31-V38 PolarHBondContact N-O 3.33Å; G31-V38 PolarHBondContact O-N 3.13Å; V38-A51 HydrophobicContact CG1-CB 4.12Å; V38-L52 CarbonylContact C-O 3.42Å; V38-L52 WeakPolarHBondContact CA-O 3.37Å; V38-K53 HydrophobicContact CG2-CB 4.35Å; V38-K53 HydrophobicContact CG2-CG 4.16Å
39F94.6Very high88.7Confident32 Ų3261.6 Ų61.614%0.1431%0.307CS..EExtended strand (participates in β ladder)trans-115.5134.5177.9-60.6-92.9000110.4K26 I28 K29 E37 A51 L52K26-F39 HydrophobicContact CD-CD1 4.48Å; K26-F39 HydrophobicContact CD-CG 4.43Å; I28-F39 CarbonylContact O-C 3.6Å; I28-F39 WeakPolarHBondContact O-CA 3.45Å; K29-F39 HydrophobicContact CB-CD1 3.95Å; K29-F39 HydrophobicContact CB-CE1 3.88Å; K29-F39 HydrophobicContact CD-CE1 4.35Å; K29-F39 HydrophobicContact CD-CZ 4.49Å; K29-F39 HydrophobicContact CG-CD1 4.44Å; K29-F39 HydrophobicContact CG-CE1 4.19Å; E37-F39 HydrophobicContact CB-CD2 4.4Å; E37-F39 HydrophobicContact CB-CE2 3.57Å; E37-F39 HydrophobicContact CB-CZ 4Å; F39-A51 CarbonylContact O-C 3.56Å; F39-A51 WeakPolarHBondContact O-CA 3.43Å; F39-L52 HydrophobicContact CB-CB 4.39Å; F39-L52 PolarHBondContact N-O 2.93Å; F39-L52 PolarHBondContact O-N 3.33Å
40K95.5Very high89Confident42 Ų4259.8 Ų59.818%0.18330%0.3CS..EExtended strand (participates in β ladder)trans-69.9130.5158.7179.5-178.6-173.8172.30108I27 I28 V30 F110I27-K40 HydrophobicContact CB-CG 4.44Å; I27-K40 HydrophobicContact CD1-CD 4.45Å; I27-K40 HydrophobicContact CD1-CG 4.21Å; I27-K40 PolarHBondContact N-O 3.21Å; I28-K40 HydrophobicContact CG2-CB 3.96Å; I28-K40 HydrophobicContact CG2-CD 4.18Å; I28-K40 PolarHBondContact N-O 3.13Å; I28-K40 PolarHBondContact O-N 2.85Å; V30-K40 HydrophobicContact CG1-CB 3.75Å; K40-F110 HydrophobicContact CB-CD2 4.28Å; K40-F110 HydrophobicContact CB-CE2 3.7Å; K40-F110 HydrophobicContact CB-CZ 4.2Å; K40-F110 HydrophobicContact CD-CE1 4.06Å; K40-F110 HydrophobicContact CD-CE2 3.96Å; K40-F110 HydrophobicContact CD-CZ 3.61Å; K40-F110 HydrophobicContact CG-CD2 4.03Å; K40-F110 HydrophobicContact CG-CE1 4.37Å; K40-F110 HydrophobicContact CG-CE2 3.64Å; K40-F110 HydrophobicContact CG-CZ 3.83Å
41A96.9Very high89.3Confident0 Ų059.8 Ų59.80%030%0.301CS..EExtended strand (participates in β ladder)trans-138.2166.4176.900000111.5F24 E25 L49 V50 L52F24-A41 HydrophobicContact CB-CB 4.14Å; E25-A41 CarbonylContact O-C 3.55Å; E25-A41 WeakPolarHBondContact O-CA 3.25Å; E25-A41 VanDerWaalsContact O-CB 3.27Å; E25-A41 WeakPolarHBondContact O-CB 3.35Å; A41-L49 CarbonylContact O-C 3.45Å; A41-L49 WeakPolarHBondContact O-CA 3.16Å; A41-V50 HydrophobicContact CB-CG2 3.92Å; A41-V50 PolarHBondContact N-O 3.06Å; A41-V50 PolarHBondContact O-N 2.88Å; A41-L52 HydrophobicContact CB-CD1 3.49Å; A41-L52 VanDerWaalsContact CB-CD1 3.49Å; A41-L52 HydrophobicContact CB-CG 3.76Å
42R97.5Very high89.9Confident100 Ų10059.1 Ų59.138%0.37729%0.294SS..EExtended strand (participates in β ladder)trans-120.2130.9176.6-172.3-175.6-59-82.47110F24 E25 I27 K44 G47 R48 L49F24-R42 CarbonylContact C-O 3.57Å; F24-R42 VanDerWaalsContact CA-O 3.31Å; F24-R42 WeakPolarHBondContact CA-O 3.42Å; E25-R42 PolarHBondContact N-O 3.35Å; E25-R42 PolarHBondContact O-N 3.1Å; I27-R42 HydrophobicContact CD1-CB 4.02Å; R42-K44 PolarHBondContact O-N 3.19Å; R42-G47 WeakPolarHBondContact CG-O 3.13Å; R42-G47 PolarHBondContact NH1-O 3.33Å; R42-R48 CarbonylContact C-O 3.59Å; R42-R48 WeakPolarHBondContact CA-O 3.34Å; R42-L49 HydrophobicContact CB-CD2 4.3Å
43C97Very high90.6Very high19 Ų1954.1 Ų54.113%0.12827%0.271CS..EExtended strand (participates in β ladder)trans-66.6120.3169.2-179.70000109.5F24 K45 T46 G47 R48F24-C43 HydrophobicContact CD1-CB 3.99Å; F24-C43 HydrophobicContact CE1-CB 3.82Å; C43-K45 VanDerWaalsContact C-N 3.29Å; C43-K45 PolarHBondContact O-N 3.28Å; C43-T46 VanDerWaalsContact CB-OG1 3.27Å; C43-T46 WeakPolarHBondContact CB-OG1 3.28Å; C43-T46 PolarHBondContact O-N 2.97Å; C43-T46 PolarHBondContact SG-OG1 2.98Å; C43-G47 VanDerWaalsContact O-CA 3.32Å; C43-G47 WeakPolarHBondContact O-CA 3.39Å; C43-G47 PolarHBondContact O-N 3.19Å; C43-R48 PolarHBondContact N-O 2.99Å
44K97.2Very high91.7Very high135 Ų13555 Ų5559%0.58727%0.265SS*.THydrogen-bonded Turntrans-62.9-34-176.9-68.9175.5178.7174.20113G22 K23 E25 R42G22-K44 VanDerWaalsContact O-CE 3.28Å; G22-K44 WeakPolarHBondContact O-CE 3.39Å; G22-K44 PolarHBondContact O-NZ 3.02Å; K23-K44 WeakPolarHBondContact O-CB 3.18Å; K23-K44 WeakPolarHBondContact O-CG 3.25Å; K23-K44 PolarHBondContact O-N 3.09Å; E25-K44 HydrophobicContact CB-CG 4.36Å; R42-K44 PolarHBondContact O-N 3.19Å
45K95.5Very high92.9Very high209 Ų20953.4 Ų53.491%0.90925%0.254SS*.THydrogen-bonded Turntrans-74.8-44.1178.9-86.2-176.6175.2178.40113.3C43C43-K45 VanDerWaalsContact C-N 3.29Å; C43-K45 PolarHBondContact O-N 3.28Å
46T95.8Very high93.6Very high83 Ų8354.9 Ų54.951%0.50926%0.263SS..THydrogen-bonded Turntrans-106.5-10.6-168.364.60000113.8C43 R48C43-T46 VanDerWaalsContact CB-OG1 3.27Å; C43-T46 WeakPolarHBondContact CB-OG1 3.28Å; C43-T46 PolarHBondContact O-N 2.97Å; C43-T46 PolarHBondContact SG-OG1 2.98Å; T46-R48 PolarHBondContact O-N 3.45Å; T46-R48 VanDerWaalsContact O-N 3.07Å; T46-R48 WeakPolarHBondContact OG1-CB 3.49Å; T46-R48 WeakPolarHBondContact OG1-CG 3.37Å; T46-R48 PolarHBondContact OG1-N 3.43Å
47G95.3Very high93.7Very high34 Ų3457.1 Ų57.135%0.35127%0.273SS..  trans69.7-4.2-173.500000114.8R42 C43R42-G47 WeakPolarHBondContact CG-O 3.13Å; R42-G47 PolarHBondContact NH1-O 3.33Å; C43-G47 VanDerWaalsContact O-CA 3.32Å; C43-G47 WeakPolarHBondContact O-CA 3.39Å; C43-G47 PolarHBondContact O-N 3.19Å
48R94.7Very high92.7Very high188 Ų18860.6 Ų60.671%0.70929%0.289SS*.  trans-65140.1-178.6-68.4-179.7-179.9-179.50.3111.3R42 C43 T46R42-R48 CarbonylContact C-O 3.59Å; R42-R48 WeakPolarHBondContact CA-O 3.34Å; C43-R48 PolarHBondContact N-O 2.99Å; T46-R48 PolarHBondContact O-N 3.45Å; T46-R48 VanDerWaalsContact O-N 3.07Å; T46-R48 WeakPolarHBondContact OG1-CB 3.49Å; T46-R48 WeakPolarHBondContact OG1-CG 3.37Å; T46-R48 PolarHBondContact OG1-N 3.43Å
49L95.7Very high91.5Very high55 Ų5564.5 Ų64.529%0.28831%0.309SS..EExtended strand (participates in β ladder)trans-82.7138.3174.8-64.4175.6000110.5I27 A41 R42 F110I27-L49 HydrophobicContact CD1-CD2 3.76Å; A41-L49 CarbonylContact O-C 3.45Å; A41-L49 WeakPolarHBondContact O-CA 3.16Å; R42-L49 HydrophobicContact CB-CD2 4.3Å; L49-F110 HydrophobicContact CB-CB 3.92Å; L49-F110 HydrophobicContact CB-CD1 4.21Å; L49-F110 HydrophobicContact CB-CG 4.25Å; L49-F110 HydrophobicContact CD1-CD1 4.33Å
50V96.8Very high90.1Very high6 Ų665.8 Ų65.84%0.03632%0.315CS..EExtended strand (participates in β ladder)trans-134.6160.3177.5-59.80000110.4F24 A41 L52 I87 V107 F108F24-V50 HydrophobicContact CD1-CG2 3.57Å; F24-V50 HydrophobicContact CE1-CB 4.47Å; F24-V50 HydrophobicContact CE1-CG1 4.03Å; F24-V50 HydrophobicContact CE1-CG2 3.69Å; F24-V50 HydrophobicContact CG-CG2 4.29Å; F24-V50 HydrophobicContact CZ-CG2 4.45Å; A41-V50 HydrophobicContact CB-CG2 3.92Å; A41-V50 PolarHBondContact N-O 3.06Å; A41-V50 PolarHBondContact O-N 2.88Å; V50-L52 HydrophobicContact CG2-CD2 4.08Å; V50-L52 HydrophobicContact CG2-CG 4.35Å; V50-I87 HydrophobicContact CG1-CD1 4.1Å; V50-V107 HydrophobicContact CB-CG1 3.85Å; V50-V107 HydrophobicContact CG1-CG1 4.01Å; V50-V107 HydrophobicContact CG2-CG1 4.05Å; V50-F108 CarbonylContact C-O 3.44Å; V50-F108 VanDerWaalsContact CA-O 3.27Å; V50-F108 WeakPolarHBondContact CA-O 3.33Å; V50-F108 WeakPolarHBondContact CB-O 3.37Å
51A96.6Very high88.9Confident13 Ų1373.4 Ų73.411%0.10735%0.348CS..EExtended strand (participates in β ladder)trans-103.8127.7165.300000109.6V38 F39 V107 F108 F110V38-A51 HydrophobicContact CG1-CB 4.12Å; F39-A51 CarbonylContact O-C 3.56Å; F39-A51 WeakPolarHBondContact O-CA 3.43Å; A51-V107 WeakPolarHBondContact O-CA 3.29Å; A51-F108 HydrophobicContact CB-CB 4.29Å; A51-F108 PolarHBondContact N-O 2.97Å; A51-F108 PolarHBondContact O-N 3.4Å; A51-F110 HydrophobicContact CB-CD2 4.21Å
52L96Very high87.8Confident0 Ų080.8 Ų80.80%038%0.383CS..EExtended strand (participates in β ladder)trans-103.5107.1175.5-58.5178.3000108.9V21 F24 K26 V38 F39 A41 V50 Y105 V107V21-L52 HydrophobicContact CG2-CD1 3.99Å; F24-L52 HydrophobicContact CB-CD1 4.07Å; F24-L52 HydrophobicContact CD2-CD2 3.99Å; F24-L52 HydrophobicContact CE2-CD2 4.32Å; F24-L52 HydrophobicContact CG-CD2 4.27Å; K26-L52 HydrophobicContact CG-CD1 4.11Å; V38-L52 CarbonylContact C-O 3.42Å; V38-L52 WeakPolarHBondContact CA-O 3.37Å; F39-L52 HydrophobicContact CB-CB 4.39Å; F39-L52 PolarHBondContact N-O 2.93Å; F39-L52 PolarHBondContact O-N 3.33Å; A41-L52 HydrophobicContact CB-CD1 3.49Å; A41-L52 VanDerWaalsContact CB-CD1 3.49Å; A41-L52 HydrophobicContact CB-CG 3.76Å; V50-L52 HydrophobicContact CG2-CD2 4.08Å; V50-L52 HydrophobicContact CG2-CG 4.35Å; L52-Y105 HydrophobicContact CB-CD1 4.08Å; L52-V107 HydrophobicContact CD2-CB 4.27Å; L52-V107 HydrophobicContact CD2-CG1 4.05Å; L52-V107 HydrophobicContact CD2-CG2 3.69Å
53K94.4Very high87Confident18 Ų1877.8 Ų77.88%0.07838%0.383CS..EExtended strand (participates in β ladder)trans-90.7109.3172.2-173.6-176.7-170.9-171.40108.7V38 E71 Y105 L106 F108 D172V38-K53 HydrophobicContact CG2-CB 4.35Å; V38-K53 HydrophobicContact CG2-CG 4.16Å; K53-E71 IonicContact NZ-OE1 2.74Å; K53-E71 PolarHBondContact NZ-OE1 2.82Å; K53-E71 IonicContact NZ-OE2 2.75Å; K53-E71 PolarHBondContact NZ-OE2 2.78Å; K53-Y105 WeakPolarHBondContact O-CA 2.95Å; K53-L106 HydrophobicContact CB-CB 4.29Å; K53-L106 HydrophobicContact CD-CD1 4.47Å; K53-L106 PolarHBondContact N-O 3.26Å; K53-L106 PolarHBondContact O-N 2.78Å; K53-F108 HydrophobicContact CB-CD2 4.39Å; K53-F108 HydrophobicContact CB-CE2 3.86Å; K53-F108 HydrophobicContact CD-CE2 4.22Å; K53-D172 IonicContact NZ-OD1 3.67Å; K53-D172 PolarHBondContact NZ-OD1 2.7Å
54K92.8Very high86.3Confident55 Ų5579.7 Ų79.724%0.23939%0.389CS..EExtended strand (participates in β ladder)trans-70.9127.1176.7-175.8-177.8170.2-171.20109.6E37 T103 Y105E37-K54 HydrophobicContact CB-CB 4.5Å; E37-K54 PolarHBondContact O-N 3.21Å; E37-K54 IonicContact OE2-NZ 3.67Å; K54-T103 HydrophobicContact CD-CG2 4.15Å; K54-T103 HydrophobicContact CG-CG2 3.74Å; K54-Y105 HydrophobicContact CB-CD1 3.91Å; K54-Y105 HydrophobicContact CB-CE1 3.58Å; K54-Y105 HydrophobicContact CD-CE1 4.35Å; K54-Y105 HydrophobicContact CG-CD1 4.38Å; K54-Y105 HydrophobicContact CG-CE1 3.8Å
55I89.1Confident85.8Confident10 Ų1073.4 Ų73.45%0.05136%0.363CS..PPolyproline II helixtrans-79.7125.4174.2-57179.8000108.8M57 F64 P65 A68 F104 L106I55-M57 HydrophobicContact CG2-SD 4.27Å; I55-F64 HydrophobicContact CD1-CE1 4.37Å; I55-F64 HydrophobicContact CD1-CE2 4.2Å; I55-F64 HydrophobicContact CD1-CZ 3.54Å; I55-F64 HydrophobicContact CG2-CZ 4.44Å; I55-P65 HydrophobicContact CG2-CG 3.87Å; I55-A68 HydrophobicContact CD1-CB 4.18Å; I55-A68 HydrophobicContact CG2-CB 3.83Å; I55-F104 HydrophobicContact CB-CB 4.29Å; I55-F104 HydrophobicContact CD1-CB 3.83Å; I55-F104 HydrophobicContact CG1-CB 4.31Å; I55-F104 PolarHBondContact N-O 3.01Å; I55-L106 HydrophobicContact CD1-CD2 3.96Å; I55-L106 HydrophobicContact CD1-CG 4.06Å; I55-L106 HydrophobicContact CG1-CG 4.23Å
56L83.1Confident85.2Confident64 Ų6466.2 Ų66.234%0.33533%0.334SS..PPolyproline II helixtrans-79121.2176.4-63.9178.1000110.8G36 P65G36-L56 VanDerWaalsContact CA-CG 3.48Å; L56-P65 WeakPolarHBondContact O-CG 3.43Å
57M79.5Confident84.7Confident51 Ų5164.3 Ų64.325%0.25132%0.322SS..  trans-110.91179.6-58.4-74.4-69.400112.8I55 N59 F64 P65I55-M57 HydrophobicContact CG2-SD 4.27Å; M57-N59 PolarHBondContact O-N 3.23Å; M57-F64 HydrophobicContact CE-CB 4.46Å; M57-F64 HydrophobicContact CE-CD2 4.17Å; M57-F64 HydrophobicContact SD-CD2 4.07Å; M57-P65 WeakPolarHBondContact SD-CD 3.44Å; M57-P65 HydrophobicContact SD-CG 4.11Å
58E70Confident84.4Confident121 Ų12163 Ų6357%0.56531%0.307SS*.THydrogen-bonded Turntrans-71.1-27.5-164.5-67.4-172137.200114.4R99E58-R99 IonicContact OE1-CZ 2.92Å; E58-R99 IonicContact OE1-NH1 3.66Å; E58-R99 PolarHBondContact OE1-NH1 3.14Å
59N66.8Low84.3Confident120 Ų12058 Ų5864%0.64230%0.295SS*.THydrogen-bonded Turntrans-112.78-175.2-66.1-17000113.9M57 K61 Q358M57-N59 PolarHBondContact O-N 3.23Å; N59-K61 PolarHBondContact O-N 2.69Å; N59-Q358 PolarHBondContact O-NE2 3.29Å
60E65.5Low84.1Confident59 Ų5957.1 Ų57.128%0.27629%0.287SS..  trans-87.4106.5-177.6-76.6-73.4158.200110.5E62 G63 P65E60-E62 VanDerWaalsContact C-N 3.3Å; E60-G63 WeakPolarHBondContact CB-O 3.35Å; E60-P65 VanDerWaalsContact CD-CA 3.48Å; E60-P65 HydrophobicContact CG-CB 4Å; E60-P65 HydrophobicContact CG-CG 3.71Å; E60-P65 WeakPolarHBondContact OE1-CA 3.44Å; E60-P65 WeakPolarHBondContact OE1-CB 3.45Å
61K71.4Confident83.9Confident201 Ų20157.1 Ų57.187%0.87429%0.287SS*.SBendtrans-76-23169.7-65.8-175.7-179.9-179.50112N59N59-K61 PolarHBondContact O-N 2.69Å
62E73.7Confident83.8Confident155 Ų15557.3 Ų57.372%0.72429%0.286SS*.SBendtrans-98.715.1-174.7-57.3-155.7159.800113.2E60E60-E62 VanDerWaalsContact C-N 3.3Å
63G79.5Confident83.8Confident38 Ų3861.3 Ų61.339%0.39230%0.304SS..SBendtrans94.4-118.9175.400000113E60E60-G63 WeakPolarHBondContact CB-O 3.35Å
64F83.8Confident83.9Confident58 Ų5860.8 Ų60.825%0.25430%0.302SS..SBendtrans-82.4131.7-177.7-167.3-79.1000110.1I55 M57 I66 A68 L69 I72 F104I55-F64 HydrophobicContact CD1-CE1 4.37Å; I55-F64 HydrophobicContact CD1-CE2 4.2Å; I55-F64 HydrophobicContact CD1-CZ 3.54Å; I55-F64 HydrophobicContact CG2-CZ 4.44Å; M57-F64 HydrophobicContact CE-CB 4.46Å; M57-F64 HydrophobicContact CE-CD2 4.17Å; M57-F64 HydrophobicContact SD-CD2 4.07Å; F64-I66 PolarHBondContact O-N 3.24Å; F64-A68 HydrophobicContact CD1-CB 4.3Å; F64-A68 HydrophobicContact CE1-CB 3.55Å; F64-A68 HydrophobicContact CZ-CB 4.2Å; F64-L69 HydrophobicContact CD1-CD1 4.35Å; F64-L69 HydrophobicContact CD1-CD2 3.73Å; F64-L69 HydrophobicContact CD1-CG 3.62Å; F64-L69 HydrophobicContact CE1-CD2 3.79Å; F64-L69 HydrophobicContact CE1-CG 3.93Å; F64-I72 HydrophobicContact CE1-CD1 4.18Å; F64-I72 HydrophobicContact CZ-CD1 4.11Å; F64-F104 HydrophobicContact CD2-CD2 4.1Å; F64-F104 HydrophobicContact CD2-CE2 4.21Å; F64-F104 HydrophobicContact CE2-CB 4.15Å; F64-F104 HydrophobicContact CE2-CD1 4.36Å; F64-F104 AromaticContact CE2-CD2 3.72Å; F64-F104 HydrophobicContact CE2-CD2 3.72Å; F64-F104 HydrophobicContact CE2-CE2 4.17Å; F64-F104 AromaticContact CE2-CG 3.82Å; F64-F104 HydrophobicContact CE2-CG 3.82Å
65P84.9Confident84Confident4 Ų458.2 Ų58.23%0.02629%0.29CS..  trans-56.2126.7-173.9-1516000113.2I55 L56 M57 E60 T67 A68 L69I55-P65 HydrophobicContact CG2-CG 3.87Å; L56-P65 WeakPolarHBondContact O-CG 3.43Å; M57-P65 WeakPolarHBondContact SD-CD 3.44Å; M57-P65 HydrophobicContact SD-CG 4.11Å; E60-P65 VanDerWaalsContact CD-CA 3.48Å; E60-P65 HydrophobicContact CG-CB 4Å; E60-P65 HydrophobicContact CG-CG 3.71Å; E60-P65 WeakPolarHBondContact OE1-CA 3.44Å; E60-P65 WeakPolarHBondContact OE1-CB 3.45Å; P65-T67 PolarHBondContact O-N 2.81Å; P65-A68 HydrophobicContact CB-CB 4.02Å; P65-A68 HydrophobicContact CG-CB 4.28Å; P65-A68 WeakPolarHBondContact O-CB 3.48Å; P65-A68 PolarHBondContact O-N 2.79Å; P65-L69 PolarHBondContact O-N 3.04Å
66I84.9Confident84.3Confident58 Ų5863.5 Ų63.530%0.29732%0.315SS..Hα-helixtrans-61-30.9176.8-167.6166000112.3F64 L69 R70 D366 V368F64-I66 PolarHBondContact O-N 3.24Å; I66-L69 PolarHBondContact O-N 3.02Å; I66-R70 WeakPolarHBondContact O-CB 3.39Å; I66-R70 PolarHBondContact O-N 3.37Å; I66-D366 HydrophobicContact CD1-CB 3.57Å; I66-V368 HydrophobicContact CD1-CG2 4.11Å; I66-V368 HydrophobicContact CG1-CG2 4.31Å
67T85.4Confident84.8Confident42 Ų4268.7 Ų68.726%0.25833%0.33SS..Hα-helixtrans-63.1-43.1174.248.80000111.2F35 P65 R70 E71F35-T67 HydrophobicContact CE1-CG2 4.4Å; P65-T67 PolarHBondContact O-N 2.81Å; T67-R70 PolarHBondContact O-N 3.37Å; T67-E71 WeakPolarHBondContact O-CB 3.43Å; T67-E71 PolarHBondContact O-N 3.44Å
68A89Confident85.6Confident6 Ų666.4 Ų66.45%0.0532%0.319CS..Hα-helixtrans-68.7-42.4177.400000111.9I55 F64 P65 R70 E71 I72I55-A68 HydrophobicContact CD1-CB 4.18Å; I55-A68 HydrophobicContact CG2-CB 3.83Å; F64-A68 HydrophobicContact CD1-CB 4.3Å; F64-A68 HydrophobicContact CE1-CB 3.55Å; F64-A68 HydrophobicContact CZ-CB 4.2Å; P65-A68 HydrophobicContact CB-CB 4.02Å; P65-A68 HydrophobicContact CG-CB 4.28Å; P65-A68 WeakPolarHBondContact O-CB 3.48Å; P65-A68 PolarHBondContact O-N 2.79Å; A68-R70 VanDerWaalsContact C-N 3.28Å; A68-R70 PolarHBondContact O-N 3.08Å; A68-E71 PolarHBondContact O-N 3.35Å; A68-I72 WeakPolarHBondContact O-CD1 3.22Å; A68-I72 VanDerWaalsContact O-CG1 3.23Å; A68-I72 WeakPolarHBondContact O-CG1 3.27Å; A68-I72 PolarHBondContact O-N 2.82Å
69L91.4Very high86.8Confident85 Ų8565.8 Ų65.845%0.44531%0.314SS..Hα-helixtrans-58.5-42.1174.1-70.8174.3000111.8F64 P65 I66 I72 K73F64-L69 HydrophobicContact CD1-CD1 4.35Å; F64-L69 HydrophobicContact CD1-CD2 3.73Å; F64-L69 HydrophobicContact CD1-CG 3.62Å; F64-L69 HydrophobicContact CE1-CD2 3.79Å; F64-L69 HydrophobicContact CE1-CG 3.93Å; P65-L69 PolarHBondContact O-N 3.04Å; I66-L69 PolarHBondContact O-N 3.02Å; L69-I72 PolarHBondContact O-N 2.87Å; L69-K73 WeakPolarHBondContact O-CB 3.31Å; L69-K73 PolarHBondContact O-N 2.89Å
70R91.8Very high88.3Confident35 Ų3563.1 Ų63.113%0.13230%0.298CS..Hα-helixtrans-65-47.4177.3-173.3-175.4-56.4147.48.2111.7I66 T67 A68 I72 K73 I74 A176 R177 D366I66-R70 WeakPolarHBondContact O-CB 3.39Å; I66-R70 PolarHBondContact O-N 3.37Å; T67-R70 PolarHBondContact O-N 3.37Å; A68-R70 VanDerWaalsContact C-N 3.28Å; A68-R70 PolarHBondContact O-N 3.08Å; R70-I72 VanDerWaalsContact C-N 3.31Å; R70-I72 PolarHBondContact O-N 3.27Å; R70-K73 PolarHBondContact O-N 3.14Å; R70-I74 HydrophobicContact CG-CD1 3.86Å; R70-I74 HydrophobicContact CG-CG1 4.48Å; R70-I74 WeakPolarHBondContact O-CB 3.39Å; R70-I74 VanDerWaalsContact O-CG1 3.31Å; R70-I74 WeakPolarHBondContact O-CG1 3.5Å; R70-I74 PolarHBondContact O-N 3.32Å; R70-A176 WeakPolarHBondContact CD-O 3.32Å; R70-R177 VanDerWaalsContact CZ-NE 3.29Å; R70-R177 VanDerWaalsContact NH1-NE 3.2Å; R70-R177 VanDerWaalsContact NH2-NH2 3.1Å; R70-D366 IonicContact NH2-OD1 3.09Å; R70-D366 IonicContact NH2-OD2 2.69Å; R70-D366 PolarHBondContact NH2-OD2 3.07Å
71E93.5Very high89.8Confident7 Ų765.1 Ų65.13%0.03331%0.307CS..Hα-helixtrans-56.1-46.8176.4177.6167.8-158.900110.5K53 T67 A68 I74 L75 L106 F173 G174K53-E71 IonicContact NZ-OE1 2.74Å; K53-E71 PolarHBondContact NZ-OE1 2.82Å; K53-E71 IonicContact NZ-OE2 2.75Å; K53-E71 PolarHBondContact NZ-OE2 2.78Å; T67-E71 WeakPolarHBondContact O-CB 3.43Å; T67-E71 PolarHBondContact O-N 3.44Å; A68-E71 PolarHBondContact O-N 3.35Å; E71-I74 PolarHBondContact O-N 3.33Å; E71-L75 HydrophobicContact CG-CD1 3.57Å; E71-L75 HydrophobicContact CG-CG 4.42Å; E71-L75 WeakPolarHBondContact O-CB 3.24Å; E71-L75 VanDerWaalsContact O-CG 3.32Å; E71-L75 WeakPolarHBondContact O-CG 3.34Å; E71-L75 PolarHBondContact O-N 3.16Å; E71-L106 HydrophobicContact CG-CD1 4.24Å; E71-F173 HydrophobicContact CG-CB 4.2Å; E71-F173 PolarHBondContact OE1-N 3.47Å; E71-G174 PolarHBondContact OE1-N 3.37Å; E71-G174 WeakPolarHBondContact OE2-CA 3.28Å
72I94.3Very high91.1Very high16 Ų1655.6 Ų55.68%0.08227%0.266CS..Hα-helixtrans-58.2-53.2175.1-68.1158.9000111.3F64 A68 L69 R70 I74 L75 Q76 L86 I89 L106F64-I72 HydrophobicContact CE1-CD1 4.18Å; F64-I72 HydrophobicContact CZ-CD1 4.11Å; A68-I72 WeakPolarHBondContact O-CD1 3.22Å; A68-I72 VanDerWaalsContact O-CG1 3.23Å; A68-I72 WeakPolarHBondContact O-CG1 3.27Å; A68-I72 PolarHBondContact O-N 2.82Å; L69-I72 PolarHBondContact O-N 2.87Å; R70-I72 VanDerWaalsContact C-N 3.31Å; R70-I72 PolarHBondContact O-N 3.27Å; I72-I74 VanDerWaalsContact C-N 3.26Å; I72-I74 PolarHBondContact O-N 2.91Å; I72-L75 PolarHBondContact O-N 3.39Å; I72-Q76 HydrophobicContact CG2-CG 4.34Å; I72-Q76 WeakPolarHBondContact O-CB 3.35Å; I72-Q76 WeakPolarHBondContact O-CG 3.24Å; I72-Q76 PolarHBondContact O-N 2.91Å; I72-L86 HydrophobicContact CG2-CD2 4.46Å; I72-I89 HydrophobicContact CB-CD1 4.46Å; I72-I89 HydrophobicContact CD1-CD1 3.68Å; I72-I89 HydrophobicContact CG1-CD1 3.85Å; I72-I89 HydrophobicContact CG2-CD1 3.72Å; I72-L106 HydrophobicContact CD1-CD2 3.93Å; I72-L106 HydrophobicContact CG1-CD1 4.47Å; I72-L106 HydrophobicContact CG1-CD2 3.57Å
73K95.3Very high92.3Very high85 Ų8548.3 Ų48.337%0.3723%0.232SC..Hα-helixtrans-59.9-37.1-177.4-173.6173.5-173.51700111.9L69 R70 F369L69-K73 WeakPolarHBondContact O-CB 3.31Å; L69-K73 PolarHBondContact O-N 2.89Å; R70-K73 PolarHBondContact O-N 3.14Å; K73-F369 PolarHBondContact NZ-O 3.11Å
74I95.9Very high93.1Very high7 Ų746.7 Ų46.74%0.03621%0.214CC..Hα-helixtrans-69.8-54.1176.2-70.4173.6000110R70 E71 I72 Q76 R77 L78 I150 F173 A176R70-I74 HydrophobicContact CG-CD1 3.86Å; R70-I74 HydrophobicContact CG-CG1 4.48Å; R70-I74 WeakPolarHBondContact O-CB 3.39Å; R70-I74 VanDerWaalsContact O-CG1 3.31Å; R70-I74 WeakPolarHBondContact O-CG1 3.5Å; R70-I74 PolarHBondContact O-N 3.32Å; E71-I74 PolarHBondContact O-N 3.33Å; I72-I74 VanDerWaalsContact C-N 3.26Å; I72-I74 PolarHBondContact O-N 2.91Å; I74-Q76 VanDerWaalsContact C-N 3.27Å; I74-Q76 PolarHBondContact O-N 2.74Å; I74-R77 WeakPolarHBondContact O-CB 3.46Å; I74-R77 PolarHBondContact O-N 3.44Å; I74-L78 HydrophobicContact CG2-CD1 3.47Å; I74-L78 VanDerWaalsContact CG2-CD1 3.47Å; I74-L78 HydrophobicContact CG2-CG 3.99Å; I74-L78 WeakPolarHBondContact O-CG 3.46Å; I74-L78 PolarHBondContact O-N 3.44Å; I74-L78 VanDerWaalsContact O-N 3.11Å; I74-I150 HydrophobicContact CD1-CD1 4.2Å; I74-I150 HydrophobicContact CG1-CD1 3.96Å; I74-I150 HydrophobicContact CG2-CD1 4.21Å; I74-I150 HydrophobicContact CG2-CG1 4.24Å; I74-I150 HydrophobicContact CG2-CG2 4.04Å; I74-F173 HydrophobicContact CG2-CD1 3.93Å; I74-A176 HydrophobicContact CD1-CB 3.72Å
75L95.7Very high93.5Very high1 Ų148.3 Ų48.31%0.00522%0.223CC..Hα-helixtrans-64.4-28.4-175.7-74.5166.2000113.9E71 I72 R77 T84 L86 F108 F173E71-L75 HydrophobicContact CG-CD1 3.57Å; E71-L75 HydrophobicContact CG-CG 4.42Å; E71-L75 WeakPolarHBondContact O-CB 3.24Å; E71-L75 VanDerWaalsContact O-CG 3.32Å; E71-L75 WeakPolarHBondContact O-CG 3.34Å; E71-L75 PolarHBondContact O-N 3.16Å; I72-L75 PolarHBondContact O-N 3.39Å; L75-R77 PolarHBondContact O-N 2.86Å; L75-T84 HydrophobicContact CD2-CG2 3.84Å; L75-L86 HydrophobicContact CB-CB 3.91Å; L75-L86 HydrophobicContact CB-CD2 4.1Å; L75-L86 HydrophobicContact CD1-CB 4.4Å; L75-F108 HydrophobicContact CD1-CE1 3.61Å; L75-F108 HydrophobicContact CD1-CZ 3.79Å; L75-F108 HydrophobicContact CD2-CE1 4.42Å; L75-F173 HydrophobicContact CD2-CB 4.32Å; L75-F173 HydrophobicContact CD2-CD2 3.71Å; L75-F173 HydrophobicContact CD2-CE2 4.24Å; L75-F173 HydrophobicContact CD2-CG 4.06Å; L75-F173 HydrophobicContact CG-CB 4.26Å; L75-F173 HydrophobicContact CG-CG 4.48Å
76Q94.4Very high94Very high120 Ų12048.8 Ų48.856%0.56123%0.225SC*.Hα-helixtrans-62.6-30.3172.3-77.8178.1-27.100112.5I72 I74 L86I72-Q76 HydrophobicContact CG2-CG 4.34Å; I72-Q76 WeakPolarHBondContact O-CB 3.35Å; I72-Q76 WeakPolarHBondContact O-CG 3.24Å; I72-Q76 PolarHBondContact O-N 2.91Å; I74-Q76 VanDerWaalsContact C-N 3.27Å; I74-Q76 PolarHBondContact O-N 2.74Å; Q76-L86 HydrophobicContact CG-CD2 4.44Å
77R94.1Very high94.5Very high173 Ų17350 Ų5065%0.65323%0.231SC*.Hα-helixtrans-89.9-30.7-179.5-64.3176.2176.7-169.8-4.3113.2I74 L75 K79I74-R77 WeakPolarHBondContact O-CB 3.46Å; I74-R77 PolarHBondContact O-N 3.44Å; L75-R77 PolarHBondContact O-N 2.86Å; R77-K79 PolarHBondContact O-N 3.16Å; R77-K79 VanDerWaalsContact O-N 3.16Å
78L96.2Very high94.9Very high4 Ų450.4 Ų50.42%0.02123%0.23CC..  trans-82.595.6-175.2-61.8-176.5000111.3I74 V83 F144 I145 Q148 I150 F173I74-L78 HydrophobicContact CG2-CD1 3.47Å; I74-L78 VanDerWaalsContact CG2-CD1 3.47Å; I74-L78 HydrophobicContact CG2-CG 3.99Å; I74-L78 WeakPolarHBondContact O-CG 3.46Å; I74-L78 PolarHBondContact O-N 3.44Å; I74-L78 VanDerWaalsContact O-N 3.11Å; L78-V83 HydrophobicContact CB-CG1 4.01Å; L78-V83 HydrophobicContact CD1-CG1 4.35Å; L78-F144 HydrophobicContact CB-CE1 4.14Å; L78-F144 HydrophobicContact CD2-CE1 3.84Å; L78-I145 HydrophobicContact CD1-CG2 3.87Å; L78-I145 HydrophobicContact CD2-CG2 4.29Å; L78-Q148 HydrophobicContact CD2-CB 3.76Å; L78-Q148 HydrophobicContact CD2-CG 3.95Å; L78-I150 HydrophobicContact CD1-CG2 4.5Å; L78-I150 HydrophobicContact CD2-CG1 4.15Å; L78-F173 HydrophobicContact CD1-CD1 3.84Å; L78-F173 HydrophobicContact CD1-CE1 3.34Å; L78-F173 HydrophobicContact CD1-CZ 3.89Å
79K96Very high95.2Very high107 Ų10752 Ų5247%0.46524%0.237SC..  trans-11397.9175.5-60.1-58.7-176178.70110.4R77 E85 F144R77-K79 PolarHBondContact O-N 3.16Å; R77-K79 VanDerWaalsContact O-N 3.16Å; K79-E85 IonicContact NZ-OE1 3.76Å; K79-F144 WeakPolarHBondContact O-CZ 3.41Å
80H97.9Very high95.3Very high64 Ų6448 Ų4830%0.29622%0.216SC..  trans-152.1150.2-179.7-174.5-104.7000111.1N82 V83 F144H80-N82 PolarHBondContact CE1-OD1 2.66Å; H80-N82 VanDerWaalsContact CE1-OD1 3.29Å; H80-N82 PolarHBondContact ND1-N 2.82Å; H80-N82 PolarHBondContact O-N 2.69Å; H80-V83 HydrophobicContact CB-CB 4.33Å; H80-V83 HydrophobicContact CB-CG2 4.05Å; H80-V83 PolarHBondContact O-N 3.39Å; H80-V83 VanDerWaalsContact O-N 3.15Å; H80-F144 HydrophobicContact CB-CB 4.47Å; H80-F144 HydrophobicContact CB-CD1 3.42Å; H80-F144 VanDerWaalsContact CB-CD1 3.42Å; H80-F144 HydrophobicContact CB-CD2 4.08Å; H80-F144 HydrophobicContact CB-CE1 3.52Å; H80-F144 HydrophobicContact CB-CE2 4.16Å; H80-F144 HydrophobicContact CB-CG 3.72Å; H80-F144 HydrophobicContact CB-CZ 3.9Å; H80-F144 AromaticContact CD2-CD2 3.89Å; H80-F144 AromaticContact CD2-CG 3.87Å; H80-F144 AromaticContact CG-CD1 3.88Å; H80-F144 AromaticContact CG-CG 3.7Å
81Q97.7Very high95.3Very high102 Ų10247.4 Ų47.448%0.47722%0.218SC..THydrogen-bonded Turntrans-53.4-42.9178.5146.8174.8-31.200111.7V83 I167 K169Q81-V83 VanDerWaalsContact C-N 3.35Å; Q81-V83 PolarHBondContact O-N 2.83Å; Q81-I167 HydrophobicContact CG-CG2 3.74Å; Q81-K169 PolarHBondContact O-NZ 3.34Å
82N98.6Very high95Very high1 Ų148.6 Ų48.61%0.00523%0.227CC..THydrogen-bonded Turntrans-92.818.7-177-54.2106.5000115.3H80 Q137 L168 L170H80-N82 PolarHBondContact CE1-OD1 2.66Å; H80-N82 VanDerWaalsContact CE1-OD1 3.29Å; H80-N82 PolarHBondContact ND1-N 2.82Å; H80-N82 PolarHBondContact O-N 2.69Å; N82-Q137 WeakPolarHBondContact CB-O 3.28Å; N82-Q137 VanDerWaalsContact CG-O 3.32Å; N82-Q137 WeakPolarHBondContact ND2-CB 3.26Å; N82-Q137 PolarHBondContact ND2-OE1 2.9Å; N82-L168 VanDerWaalsContact CA-O 3.23Å; N82-L168 WeakPolarHBondContact CA-O 3.47Å; N82-L168 PolarHBondContact ND2-O 3.17Å; N82-L170 PolarHBondContact O-N 3.43Å
83V98.2Very high94.3Very high1 Ų154.6 Ų54.61%0.00625%0.252CS..BIsolated β-bridgetrans-120.6144.2171.4-179.40000109.1L78 H80 Q81 F144 I145 K169 F173L78-V83 HydrophobicContact CB-CG1 4.01Å; L78-V83 HydrophobicContact CD1-CG1 4.35Å; H80-V83 HydrophobicContact CB-CB 4.33Å; H80-V83 HydrophobicContact CB-CG2 4.05Å; H80-V83 PolarHBondContact O-N 3.39Å; H80-V83 VanDerWaalsContact O-N 3.15Å; Q81-V83 VanDerWaalsContact C-N 3.35Å; Q81-V83 PolarHBondContact O-N 2.83Å; V83-F144 HydrophobicContact CG2-CD1 4.01Å; V83-F144 HydrophobicContact CG2-CE1 4.44Å; V83-I145 HydrophobicContact CG2-CG2 3.77Å; V83-K169 PolarHBondContact O-NZ 3.15Å; V83-F173 HydrophobicContact CG1-CE2 3.78Å; V83-F173 HydrophobicContact CG1-CZ 3.69Å
84T95.8Very high93.4Very high5 Ų553.2 Ų53.23%0.03126%0.256CS..  trans-62.6136.2174.4-164.70000110.7L75 F108 L170 A171 F173L75-T84 HydrophobicContact CD2-CG2 3.84Å; T84-F108 HydrophobicContact CG2-CD1 3.9Å; T84-F108 HydrophobicContact CG2-CE1 3.84Å; T84-L170 WeakPolarHBondContact CB-O 3.28Å; T84-L170 PolarHBondContact N-O 2.99Å; T84-A171 HydrophobicContact CG2-CB 4.37Å; T84-F173 HydrophobicContact CG2-CD2 4.36Å; T84-F173 HydrophobicContact CG2-CE2 4.38Å
85E93.3Very high92.3Very high92 Ų9255.2 Ų55.243%0.4327%0.271SS..  trans-97.1117.7-178.8-178.2172.4-156.100110K79 I87 F108 A109K79-E85 IonicContact NZ-OE1 3.76Å; E85-I87 PolarHBondContact O-N 3.24Å; E85-F108 WeakPolarHBondContact O-CA 3.41Å; E85-F108 WeakPolarHBondContact O-CD1 3.38Å; E85-A109 PolarHBondContact O-N 3.49Å
86L95.3Very high91Very high13 Ų1360.9 Ų60.97%0.06831%0.311CS..EExtended strand (participates in β ladder)trans-72.6111163.3-178.866.4000108.4I72 L75 Q76 E88 L106 F108I72-L86 HydrophobicContact CG2-CD2 4.46Å; L75-L86 HydrophobicContact CB-CB 3.91Å; L75-L86 HydrophobicContact CB-CD2 4.1Å; L75-L86 HydrophobicContact CD1-CB 4.4Å; Q76-L86 HydrophobicContact CG-CD2 4.44Å; L86-E88 WeakPolarHBondContact CD1-O 3.26Å; L86-L106 HydrophobicContact CD1-CB 3.81Å; L86-L106 HydrophobicContact CD1-CD2 4.15Å; L86-L106 HydrophobicContact CD1-CG 4.46Å; L86-F108 HydrophobicContact CB-CD1 4.46Å; L86-F108 HydrophobicContact CB-CE1 4.18Å; L86-F108 HydrophobicContact CD1-CE1 4.16Å; L86-F108 HydrophobicContact CD1-CZ 4.17Å
87I94.4Very high89.8Confident84 Ų8464.6 Ų64.643%0.43133%0.326SS..EExtended strand (participates in β ladder)trans-75.7-52.1178.1-60.5174.4000109V50 E85 V107 A109V50-I87 HydrophobicContact CG1-CD1 4.1Å; E85-I87 PolarHBondContact O-N 3.24Å; I87-V107 HydrophobicContact CB-CG1 4.42Å; I87-V107 WeakPolarHBondContact CB-O 3.31Å; I87-V107 HydrophobicContact CD1-CG1 4.46Å; I87-V107 PolarHBondContact N-O 2.99Å; I87-A109 HydrophobicContact CD1-CB 4.38Å
88E94.3Very high88.6Confident50 Ų5057.7 Ų57.723%0.23430%0.301CS..EExtended strand (participates in β ladder)trans-165.3176.2-175.562177.112700111.7K23 L86 C90 V107K23-E88 VanDerWaalsContact CE-OE1 3.25Å; K23-E88 WeakPolarHBondContact CE-OE1 3.16Å; K23-E88 WeakPolarHBondContact CE-OE2 3.39Å; K23-E88 IonicContact NZ-OE1 2.82Å; K23-E88 PolarHBondContact NZ-OE1 3.02Å; K23-E88 IonicContact NZ-OE2 3.88Å; K23-E88 PolarHBondContact NZ-OE2 3.23Å; L86-E88 WeakPolarHBondContact CD1-O 3.26Å; E88-C90 PolarHBondContact OE2-SG 3.22Å; E88-V107 HydrophobicContact CG-CB 3.69Å; E88-V107 HydrophobicContact CG-CG1 4.25Å; E88-V107 HydrophobicContact CG-CG2 3.7Å; E88-V107 WeakPolarHBondContact O-CB 3.29Å; E88-V107 PolarHBondContact O-N 2.88Å
89I94.2Very high87.4Confident40 Ų4066.6 Ų66.621%0.20534%0.335CS..EExtended strand (participates in β ladder)trans-117.7127.9171.9-54.5173.7000107.5I72 Y105 L106I72-I89 HydrophobicContact CB-CD1 4.46Å; I72-I89 HydrophobicContact CD1-CD1 3.68Å; I72-I89 HydrophobicContact CG1-CD1 3.85Å; I72-I89 HydrophobicContact CG2-CD1 3.72Å; I89-Y105 WeakPolarHBondContact CA-O 3.39Å; I89-L106 HydrophobicContact CD1-CD2 4.29Å; I89-L106 HydrophobicContact CG1-CD2 3.9Å; I89-L106 HydrophobicContact CG2-CD2 4.45Å
90C94.2Very high86.2Confident0 Ų063.9 Ų63.90%034%0.337CS..EExtended strand (participates in β ladder)trans-115159.3175.5-60.50000111.1E19 V21 E88 F104 Y105 V107E19-C90 VanDerWaalsContact O-CA 3.32Å; E19-C90 WeakPolarHBondContact O-CA 3.39Å; E19-C90 WeakPolarHBondContact O-CB 3.33Å; V21-C90 HydrophobicContact CB-CB 4.03Å; V21-C90 HydrophobicContact CG2-CB 4.36Å; E88-C90 PolarHBondContact OE2-SG 3.22Å; C90-F104 WeakPolarHBondContact O-CA 3.25Å; C90-Y105 PolarHBondContact N-O 2.96Å; C90-Y105 PolarHBondContact O-N 3.42Å; C90-V107 HydrophobicContact CB-CG2 4.34Å
91S91.4Very high85.2Confident24 Ų2467.9 Ų67.917%0.16835%0.35CS..EExtended strand (participates in β ladder)trans-123.7157.8173.172.10000111.4E19 D20 V21 T103E19-S91 PolarHBondContact O-N 2.87Å; D20-S91 CarbonylContact C-O 3.57Å; D20-S91 WeakPolarHBondContact CA-O 3.33Å; V21-S91 PolarHBondContact N-O 2.9Å; S91-T103 CarbonylContact C-O 3.48Å; S91-T103 VanDerWaalsContact CA-O 3.26Å; S91-T103 WeakPolarHBondContact CA-O 3.3Å
92S88Confident84.4Confident31 Ų3165.7 Ų65.722%0.21735%0.345CS..EExtended strand (participates in β ladder)trans-114.8129.4162.8-175.70000107.2S102 T103S92-S102 VanDerWaalsContact O-CA 3.27Å; S92-S102 WeakPolarHBondContact O-CA 3.5Å; S92-T103 PolarHBondContact N-O 3.45Å; S92-T103 PolarHBondContact O-N 3.07Å; S92-T103 VanDerWaalsContact O-N 3.07Å
93K79.9Confident84Confident143 Ų14366.4 Ų66.462%0.62235%0.35SS*.  trans-54.8149.3176.7-68.6-165.3177-163.30111.2S95 N98K93-S95 PolarHBondContact O-N 3.43Å; K93-N98 PolarHBondContact O-ND2 3.42Å
94A75.1Confident83.6Confident55 Ų5568.6 Ų68.646%0.45536%0.36SS..  trans-52.5125.3170.800000110G100A94-G100 WeakPolarHBondContact CB-O 3.16Å
95S73.4Confident83.6Confident49 Ų4969 Ų6934%0.34336%0.361SS..  trans-138.9166.9172.592.90000109.9K93 F97 N98 R99 G100K93-S95 PolarHBondContact O-N 3.43Å; S95-F97 PolarHBondContact O-N 3.46Å; S95-F97 WeakPolarHBondContact OG-CB 3.18Å; S95-F97 PolarHBondContact OG-N 2.89Å; S95-F97 VanDerWaalsContact OG-N 3.11Å; S95-N98 WeakPolarHBondContact CB-OD1 3.26Å; S95-N98 PolarHBondContact N-ND2 3.08Å; S95-N98 CarbonylContact O-C 3.39Å; S95-N98 PolarHBondContact O-N 3.39Å; S95-N98 PolarHBondContact OG-OD1 3.14Å; S95-R99 PolarHBondContact O-N 2.84Å; S95-G100 PolarHBondContact O-N 3.01Å
96S69.3Low83.6Confident121 Ų12164.7 Ų64.785%0.84634%0.34SS*.G310 helixtrans-54.1-33.9172.539.50000112N98 R99S96-N98 VanDerWaalsContact C-N 3.25Å; S96-N98 PolarHBondContact O-N 3.41Å; S96-R99 PolarHBondContact O-N 2.88Å
97F69.2Low83.6Confident198 Ų19864 Ų6487%0.86834%0.337SS*.G310 helixtrans-64.5-28.4177.1-167.4-96.4000113.3S95S95-F97 PolarHBondContact O-N 3.46Å; S95-F97 WeakPolarHBondContact OG-CB 3.18Å; S95-F97 PolarHBondContact OG-N 2.89Å; S95-F97 VanDerWaalsContact OG-N 3.11Å
98N67.9Low83.7Confident27 Ų2760.9 Ų60.914%0.14432%0.32CS..G310 helixtrans-111.831-179.129.5-51.3000111.5K93 S95 S96 G100 R101K93-N98 PolarHBondContact O-ND2 3.42Å; S95-N98 WeakPolarHBondContact CB-OD1 3.26Å; S95-N98 PolarHBondContact N-ND2 3.08Å; S95-N98 CarbonylContact O-C 3.39Å; S95-N98 PolarHBondContact O-N 3.39Å; S95-N98 PolarHBondContact OG-OD1 3.14Å; S96-N98 VanDerWaalsContact C-N 3.25Å; S96-N98 PolarHBondContact O-N 3.41Å; N98-G100 PolarHBondContact O-N 3.29Å; N98-G100 VanDerWaalsContact O-N 3.12Å; N98-R101 WeakPolarHBondContact CB-O 3.34Å; N98-R101 PolarHBondContact ND2-O 3.07Å; N98-R101 PolarHBondContact O-N 3.42Å
99R71.4Confident83.7Confident191 Ų19160 Ų6072%0.72132%0.321SS*.THydrogen-bonded Turntrans5335.1175.3-56.9-179.8-179.2149.80.6112.8E58 S95 S96 R101E58-R99 IonicContact OE1-CZ 2.92Å; E58-R99 IonicContact OE1-NH1 3.66Å; E58-R99 PolarHBondContact OE1-NH1 3.14Å; S95-R99 PolarHBondContact O-N 2.84Å; S96-R99 PolarHBondContact O-N 2.88Å; R99-R101 VanDerWaalsContact C-N 3.3Å; R99-R101 PolarHBondContact O-N 3.15Å
100G70.9Confident83.7Confident50 Ų5058.9 Ų58.952%0.51532%0.315SS..THydrogen-bonded Turntrans69.821.8-178.900000114.6A94 S95 N98A94-G100 WeakPolarHBondContact CB-O 3.16Å; S95-G100 PolarHBondContact O-N 3.01Å; N98-G100 PolarHBondContact O-N 3.29Å; N98-G100 VanDerWaalsContact O-N 3.12Å
101R75.9Confident83.7Confident149 Ų14959.2 Ų59.256%0.56232%0.317SS*.  trans-121.9140.8179.2-63.4-175.8-173.6151.82.1112.3N98 R99N98-R101 WeakPolarHBondContact CB-O 3.34Å; N98-R101 PolarHBondContact ND2-O 3.07Å; N98-R101 PolarHBondContact O-N 3.42Å; R99-R101 VanDerWaalsContact C-N 3.3Å; R99-R101 PolarHBondContact O-N 3.15Å
102S82.2Confident83.8Confident55 Ų5559.6 Ų59.639%0.38532%0.316SS..  trans-63.9140.7170.7-58.30000110.6S92S92-S102 VanDerWaalsContact O-CA 3.27Å; S92-S102 WeakPolarHBondContact O-CA 3.5Å
103T88.7Confident84.1Confident16 Ų1658.2 Ų58.210%0.09831%0.307CS..EExtended strand (participates in β ladder)trans-113.1135.6176.3-57.70000109.3K54 S91 S92 Y105K54-T103 HydrophobicContact CD-CG2 4.15Å; K54-T103 HydrophobicContact CG-CG2 3.74Å; S91-T103 CarbonylContact C-O 3.48Å; S91-T103 VanDerWaalsContact CA-O 3.26Å; S91-T103 WeakPolarHBondContact CA-O 3.3Å; S92-T103 PolarHBondContact N-O 3.45Å; S92-T103 PolarHBondContact O-N 3.07Å; S92-T103 VanDerWaalsContact O-N 3.07Å; T103-Y105 HydrophobicContact CG2-CD2 4.34Å; T103-Y105 HydrophobicContact CG2-CE2 3.61Å
104F91.3Very high84.8Confident48 Ų4851.9 Ų51.921%0.21128%0.279CS..EExtended strand (participates in β ladder)trans-106.3147.3178.9-64.5-86.3000111.6I55 F64 C90I55-F104 HydrophobicContact CB-CB 4.29Å; I55-F104 HydrophobicContact CD1-CB 3.83Å; I55-F104 HydrophobicContact CG1-CB 4.31Å; I55-F104 PolarHBondContact N-O 3.01Å; F64-F104 HydrophobicContact CD2-CD2 4.1Å; F64-F104 HydrophobicContact CD2-CE2 4.21Å; F64-F104 HydrophobicContact CE2-CB 4.15Å; F64-F104 HydrophobicContact CE2-CD1 4.36Å; F64-F104 AromaticContact CE2-CD2 3.72Å; F64-F104 HydrophobicContact CE2-CD2 3.72Å; F64-F104 HydrophobicContact CE2-CE2 4.17Å; F64-F104 AromaticContact CE2-CG 3.82Å; F64-F104 HydrophobicContact CE2-CG 3.82Å; C90-F104 WeakPolarHBondContact O-CA 3.25Å
105Y94.1Very high85.8Confident13 Ų1349.2 Ų49.25%0.05126%0.258CS..EExtended strand (participates in β ladder)trans-132.5131.2-179.8-65-90.3000110.2V21 K26 L52 K53 K54 I89 C90 T103V21-Y105 HydrophobicContact CB-CD2 3.97Å; V21-Y105 HydrophobicContact CB-CE2 4.28Å; V21-Y105 HydrophobicContact CG1-CD2 4.15Å; V21-Y105 HydrophobicContact CG1-CE2 3.96Å; V21-Y105 HydrophobicContact CG2-CD2 3.7Å; V21-Y105 HydrophobicContact CG2-CE2 4.09Å; V21-Y105 HydrophobicContact CG2-CG 3.99Å; K26-Y105 PolarHBondContact NZ-OH 3.35Å; L52-Y105 HydrophobicContact CB-CD1 4.08Å; K53-Y105 WeakPolarHBondContact O-CA 2.95Å; K54-Y105 HydrophobicContact CB-CD1 3.91Å; K54-Y105 HydrophobicContact CB-CE1 3.58Å; K54-Y105 HydrophobicContact CD-CE1 4.35Å; K54-Y105 HydrophobicContact CG-CD1 4.38Å; K54-Y105 HydrophobicContact CG-CE1 3.8Å; I89-Y105 WeakPolarHBondContact CA-O 3.39Å; C90-Y105 PolarHBondContact N-O 2.96Å; C90-Y105 PolarHBondContact O-N 3.42Å; T103-Y105 HydrophobicContact CG2-CD2 4.34Å; T103-Y105 HydrophobicContact CG2-CE2 3.61Å
106L94.8Very high86.8Confident1 Ų147.5 Ų47.51%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-86127.4164.3-56.1-176.7000108.4K53 I55 E71 I72 L86 I89 F108K53-L106 HydrophobicContact CB-CB 4.29Å; K53-L106 HydrophobicContact CD-CD1 4.47Å; K53-L106 PolarHBondContact N-O 3.26Å; K53-L106 PolarHBondContact O-N 2.78Å; I55-L106 HydrophobicContact CD1-CD2 3.96Å; I55-L106 HydrophobicContact CD1-CG 4.06Å; I55-L106 HydrophobicContact CG1-CG 4.23Å; E71-L106 HydrophobicContact CG-CD1 4.24Å; I72-L106 HydrophobicContact CD1-CD2 3.93Å; I72-L106 HydrophobicContact CG1-CD1 4.47Å; I72-L106 HydrophobicContact CG1-CD2 3.57Å; L86-L106 HydrophobicContact CD1-CB 3.81Å; L86-L106 HydrophobicContact CD1-CD2 4.15Å; L86-L106 HydrophobicContact CD1-CG 4.46Å; I89-L106 HydrophobicContact CD1-CD2 4.29Å; I89-L106 HydrophobicContact CG1-CD2 3.9Å; I89-L106 HydrophobicContact CG2-CD2 4.45Å; L106-F108 HydrophobicContact CB-CD2 4.25Å; L106-F108 HydrophobicContact CB-CE2 3.42Å; L106-F108 VanDerWaalsContact CB-CE2 3.42Å; L106-F108 HydrophobicContact CB-CZ 3.85Å; L106-F108 HydrophobicContact CD1-CE2 4.3Å; L106-F108 HydrophobicContact CD1-CZ 4.06Å
107V96Very high88Confident0 Ų041.9 Ų41.90%021%0.208CC..EExtended strand (participates in β ladder)trans-103.3120.3-178.4-171.90000109.3F24 V50 A51 L52 I87 E88 C90F24-V107 HydrophobicContact CE1-CG1 4.29Å; F24-V107 HydrophobicContact CE2-CG1 4.13Å; F24-V107 HydrophobicContact CE2-CG2 3.89Å; F24-V107 HydrophobicContact CZ-CG1 3.73Å; F24-V107 HydrophobicContact CZ-CG2 4.29Å; V50-V107 HydrophobicContact CB-CG1 3.85Å; V50-V107 HydrophobicContact CG1-CG1 4.01Å; V50-V107 HydrophobicContact CG2-CG1 4.05Å; A51-V107 WeakPolarHBondContact O-CA 3.29Å; L52-V107 HydrophobicContact CD2-CB 4.27Å; L52-V107 HydrophobicContact CD2-CG1 4.05Å; L52-V107 HydrophobicContact CD2-CG2 3.69Å; I87-V107 HydrophobicContact CB-CG1 4.42Å; I87-V107 WeakPolarHBondContact CB-O 3.31Å; I87-V107 HydrophobicContact CD1-CG1 4.46Å; I87-V107 PolarHBondContact N-O 2.99Å; E88-V107 HydrophobicContact CG-CB 3.69Å; E88-V107 HydrophobicContact CG-CG1 4.25Å; E88-V107 HydrophobicContact CG-CG2 3.7Å; E88-V107 WeakPolarHBondContact O-CB 3.29Å; E88-V107 PolarHBondContact O-N 2.88Å; C90-V107 HydrophobicContact CB-CG2 4.34Å
108F96.2Very high89.2Confident17 Ų1732.5 Ų32.58%0.07517%0.166CC..EExtended strand (participates in β ladder)trans-116.9155.7179.9-60-90.3000111.8V50 A51 K53 L75 T84 E85 L86 L106 F110V50-F108 CarbonylContact C-O 3.44Å; V50-F108 VanDerWaalsContact CA-O 3.27Å; V50-F108 WeakPolarHBondContact CA-O 3.33Å; V50-F108 WeakPolarHBondContact CB-O 3.37Å; A51-F108 HydrophobicContact CB-CB 4.29Å; A51-F108 PolarHBondContact N-O 2.97Å; A51-F108 PolarHBondContact O-N 3.4Å; K53-F108 HydrophobicContact CB-CD2 4.39Å; K53-F108 HydrophobicContact CB-CE2 3.86Å; K53-F108 HydrophobicContact CD-CE2 4.22Å; L75-F108 HydrophobicContact CD1-CE1 3.61Å; L75-F108 HydrophobicContact CD1-CZ 3.79Å; L75-F108 HydrophobicContact CD2-CE1 4.42Å; T84-F108 HydrophobicContact CG2-CD1 3.9Å; T84-F108 HydrophobicContact CG2-CE1 3.84Å; E85-F108 WeakPolarHBondContact O-CA 3.41Å; E85-F108 WeakPolarHBondContact O-CD1 3.38Å; L86-F108 HydrophobicContact CB-CD1 4.46Å; L86-F108 HydrophobicContact CB-CE1 4.18Å; L86-F108 HydrophobicContact CD1-CE1 4.16Å; L86-F108 HydrophobicContact CD1-CZ 4.17Å; L106-F108 HydrophobicContact CB-CD2 4.25Å; L106-F108 HydrophobicContact CB-CE2 3.42Å; L106-F108 VanDerWaalsContact CB-CE2 3.42Å; L106-F108 HydrophobicContact CB-CZ 3.85Å; L106-F108 HydrophobicContact CD1-CE2 4.3Å; L106-F108 HydrophobicContact CD1-CZ 4.06Å; F108-F110 PolarHBondContact O-N 3.26Å
109A93.5Very high90.5Very high31 Ų3131.4 Ų31.426%0.25616%0.161SC..EExtended strand (participates in β ladder)trans-58.6130.4163.400000109.8E85 I87E85-A109 PolarHBondContact O-N 3.49Å; I87-A109 HydrophobicContact CD1-CB 4.38Å
110F94.9Very high91.5Very high18 Ų1824.3 Ų24.38%0.07914%0.14CC..  trans-74132.5-178.6-173.9-105000111V30 K40 L49 A51 F108 E112 F337V30-F110 HydrophobicContact CG1-CE2 4.45Å; K40-F110 HydrophobicContact CB-CD2 4.28Å; K40-F110 HydrophobicContact CB-CE2 3.7Å; K40-F110 HydrophobicContact CB-CZ 4.2Å; K40-F110 HydrophobicContact CD-CE1 4.06Å; K40-F110 HydrophobicContact CD-CE2 3.96Å; K40-F110 HydrophobicContact CD-CZ 3.61Å; K40-F110 HydrophobicContact CG-CD2 4.03Å; K40-F110 HydrophobicContact CG-CE1 4.37Å; K40-F110 HydrophobicContact CG-CE2 3.64Å; K40-F110 HydrophobicContact CG-CZ 3.83Å; L49-F110 HydrophobicContact CB-CB 3.92Å; L49-F110 HydrophobicContact CB-CD1 4.21Å; L49-F110 HydrophobicContact CB-CG 4.25Å; L49-F110 HydrophobicContact CD1-CD1 4.33Å; A51-F110 HydrophobicContact CB-CD2 4.21Å; F108-F110 PolarHBondContact O-N 3.26Å; F110-E112 HydrophobicContact CE1-CG 4.18Å; F110-F337 HydrophobicContact CE2-CE2 4.23Å; F110-F337 AromaticContact CE2-CZ 3.86Å; F110-F337 HydrophobicContact CE2-CZ 3.86Å; F110-F337 AromaticContact CZ-CE2 3.81Å; F110-F337 HydrophobicContact CZ-CE2 3.81Å; F110-F337 AromaticContact CZ-CZ 3.65Å; F110-F337 HydrophobicContact CZ-CZ 3.65Å
111C94.6Very high92.4Very high6 Ų624.5 Ų24.54%0.04113%0.129CC..  trans-108.1139.2166.5-60.60000108.4L161 T163 F337C111-L161 HydrophobicContact CB-CB 3.67Å; C111-L161 HydrophobicContact CB-CD1 4.12Å; C111-L161 HydrophobicContact CB-CG 4.45Å; C111-T163 HydrophobicContact CB-CG2 4.45Å; C111-F337 VanDerWaalsContact O-CZ 3.22Å; C111-F337 WeakPolarHBondContact O-CZ 3.41Å
112E92.5Very high93Very high32 Ų3220.2 Ų20.215%0.1512%0.12CC..SBendtrans-75.9-23.5-172.3-73.979.4173.300114.3F110 L162 T163 R164 S335 M336F110-E112 HydrophobicContact CE1-CG 4.18Å; E112-L162 PolarHBondContact N-O 2.97Å; E112-T163 VanDerWaalsContact OE2-CA 3.32Å; E112-T163 WeakPolarHBondContact OE2-CA 3.37Å; E112-R164 VanDerWaalsContact CD-CB 3.48Å; E112-R164 HydrophobicContact CG-CB 4.06Å; E112-R164 WeakPolarHBondContact OE1-CB 3.33Å; E112-R164 IonicContact OE1-NE 3.86Å; E112-R164 PolarHBondContact OE2-N 2.8Å; E112-S335 WeakPolarHBondContact O-CA 3.44Å; E112-S335 WeakPolarHBondContact O-CB 3.47Å; E112-S335 PolarHBondContact O-OG 3.33Å; E112-S335 VanDerWaalsContact O-OG 3.1Å; E112-M336 PolarHBondContact O-N 2.8Å
113H93.8Very high93.3Very high3 Ų324.7 Ų24.71%0.01413%0.134CC..EExtended strand (participates in β ladder)trans-137.4156-174-44.6-77.2000111.3L118 L161 L162 S334 M336H113-L118 HydrophobicContact CB-CD1 3.95Å; H113-L118 HydrophobicContact CB-CD2 4.08Å; H113-L118 HydrophobicContact CB-CG 3.93Å; H113-L161 CarbonylContact O-C 3.51Å; H113-L161 WeakPolarHBondContact O-CA 3.48Å; H113-L162 HydrophobicContact CB-CB 4.32Å; H113-L162 PolarHBondContact N-O 2.81Å; H113-L162 PolarHBondContact O-N 2.89Å; H113-S334 PolarHBondContact CE1-O 3.44Å; H113-M336 WeakPolarHBondContact CA-O 3.28Å; H113-M336 PolarHBondContact ND1-N 2.85Å
114D95.3Very high93.4Very high9 Ų923.9 Ų23.95%0.04813%0.13CC..EExtended strand (participates in β ladder)trans-112.2155.5156.174.269.7000110A116 G117 L118 V160 L161 M336 F337 E338D114-A116 VanDerWaalsContact C-N 3.31Å; D114-A116 PolarHBondContact O-N 3.13Å; D114-A116 WeakPolarHBondContact OD1-CA 3.48Å; D114-A116 WeakPolarHBondContact OD1-CB 3.19Å; D114-A116 PolarHBondContact OD1-N 3.38Å; D114-G117 PolarHBondContact O-N 3.49Å; D114-G117 PolarHBondContact OD1-N 3Å; D114-L118 PolarHBondContact O-N 2.99Å; D114-L118 VanDerWaalsContact O-N 3.08Å; D114-V160 CarbonylContact C-O 3.25Å; D114-V160 WeakPolarHBondContact CA-O 3.5Å; D114-L161 HydrophobicContact CB-CD2 3.75Å; D114-M336 PolarHBondContact N-O 3.5Å; D114-M336 VanDerWaalsContact N-O 3.09Å; D114-F337 HydrophobicContact CB-CD1 4.2Å; D114-F337 WeakPolarHBondContact OD2-CA 3.4Å; D114-F337 WeakPolarHBondContact OD2-CB 3.5Å; D114-F337 WeakPolarHBondContact OD2-CD1 3.49Å; D114-E338 PolarHBondContact OD2-N 3.03Å
115L96.5Very high93.4Very high0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-65.7-34.6-173.7-171.662.4000111.8G117 L118 L119 F126 V134 A157 V160 L162 I219 M223L115-G117 PolarHBondContact O-N 3.42Å; L115-L118 PolarHBondContact O-N 3.06Å; L115-L119 HydrophobicContact CD1-CD1 4.48Å; L115-L119 HydrophobicContact CD1-CG 4.33Å; L115-L119 HydrophobicContact CG-CD1 3.95Å; L115-L119 HydrophobicContact CG-CG 4.24Å; L115-L119 WeakPolarHBondContact O-CB 3.35Å; L115-L119 WeakPolarHBondContact O-CG 3.45Å; L115-L119 PolarHBondContact O-N 3.45Å; L115-F126 HydrophobicContact CD1-CZ 4.24Å; L115-V134 HydrophobicContact CD1-CG1 4.42Å; L115-V134 HydrophobicContact CD2-CG1 4.32Å; L115-A157 HydrophobicContact CB-CB 4.33Å; L115-A157 WeakPolarHBondContact CB-O 3.37Å; L115-A157 HydrophobicContact CG-CB 4.5Å; L115-A157 PolarHBondContact N-O 3.49Å; L115-V160 HydrophobicContact CB-CB 3.97Å; L115-V160 HydrophobicContact CB-CG1 4.14Å; L115-V160 HydrophobicContact CD2-CB 4.27Å; L115-V160 HydrophobicContact CD2-CG1 4.08Å; L115-V160 PolarHBondContact N-O 2.84Å; L115-L162 HydrophobicContact CD1-CD1 4.1Å; L115-I219 HydrophobicContact CD2-CG2 3.52Å; L115-M223 HydrophobicContact CD1-CE 4.25Å; L115-M223 HydrophobicContact CD1-SD 3.78Å; L115-M223 HydrophobicContact CD2-SD 3.86Å; L115-M223 HydrophobicContact CG-SD 4.2Å
116A94.8Very high93.4Very high13 Ų1329.1 Ų29.111%0.10715%0.153CC..Hα-helixtrans-63.7-41.8175.700000111.5D114 L118 L119 S120 A157 A158 E338D114-A116 VanDerWaalsContact C-N 3.31Å; D114-A116 PolarHBondContact O-N 3.13Å; D114-A116 WeakPolarHBondContact OD1-CA 3.48Å; D114-A116 WeakPolarHBondContact OD1-CB 3.19Å; D114-A116 PolarHBondContact OD1-N 3.38Å; A116-L118 PolarHBondContact O-N 3.47Å; A116-L119 PolarHBondContact O-N 3.23Å; A116-S120 WeakPolarHBondContact O-CB 3.28Å; A116-S120 PolarHBondContact O-N 2.83Å; A116-S120 PolarHBondContact O-OG 3.41Å; A116-S120 VanDerWaalsContact O-OG 3.14Å; A116-A157 HydrophobicContact CB-CB 3.84Å; A116-A157 PolarHBondContact N-O 3.41Å; A116-A158 HydrophobicContact CB-CB 4.16Å; A116-E338 HydrophobicContact CB-CB 3.9Å; A116-E338 HydrophobicContact CB-CG 4.27Å
117G93.4Very high93.5Very high3 Ų331.8 Ų31.83%0.03117%0.171CC..Hα-helixtrans-57.4-46.3171.900000112.6D114 L115 S120 N121D114-G117 PolarHBondContact O-N 3.49Å; D114-G117 PolarHBondContact OD1-N 3Å; L115-G117 PolarHBondContact O-N 3.42Å; G117-S120 PolarHBondContact O-OG 2.95Å; G117-N121 PolarHBondContact O-N 2.99Å
118L94.7Very high93.6Very high0 Ų033.9 Ų33.90%018%0.182CC..Hα-helixtrans-65.4-41.4176.4-67174.1000112.8H113 D114 L115 A116 N121 V124 F126 L162 R226 L329 M336H113-L118 HydrophobicContact CB-CD1 3.95Å; H113-L118 HydrophobicContact CB-CD2 4.08Å; H113-L118 HydrophobicContact CB-CG 3.93Å; D114-L118 PolarHBondContact O-N 2.99Å; D114-L118 VanDerWaalsContact O-N 3.08Å; L115-L118 PolarHBondContact O-N 3.06Å; A116-L118 PolarHBondContact O-N 3.47Å; L118-N121 PolarHBondContact O-N 3.43Å; L118-V124 HydrophobicContact CB-CG1 4.37Å; L118-V124 HydrophobicContact CD2-CG1 4.32Å; L118-V124 HydrophobicContact CD2-CG2 4.19Å; L118-V124 WeakPolarHBondContact O-CB 3.39Å; L118-F126 HydrophobicContact CB-CE2 4.26Å; L118-F126 HydrophobicContact CB-CZ 4.09Å; L118-F126 HydrophobicContact CD1-CZ 4.06Å; L118-L162 HydrophobicContact CD1-CB 4.41Å; L118-L162 HydrophobicContact CD1-CD1 3.38Å; L118-R226 PolarHBondContact O-NH2 3.39Å; L118-R226 VanDerWaalsContact O-NH2 3.15Å; L118-L329 HydrophobicContact CD1-CD2 4Å; L118-L329 HydrophobicContact CD2-CD2 4.13Å; L118-M336 HydrophobicContact CD2-CB 4.24Å; L118-M336 HydrophobicContact CD2-CE 3.29Å; L118-M336 HydrophobicContact CD2-SD 3.86Å
119L94.9Very high93.7Very high5 Ų533.3 Ų33.33%0.02618%0.181CC..Hα-helixtrans-71.5-33.9-179.3-67.1175.8000112.5L115 A116 N121 F126 E222 M223 R226L115-L119 HydrophobicContact CD1-CD1 4.48Å; L115-L119 HydrophobicContact CD1-CG 4.33Å; L115-L119 HydrophobicContact CG-CD1 3.95Å; L115-L119 HydrophobicContact CG-CG 4.24Å; L115-L119 WeakPolarHBondContact O-CB 3.35Å; L115-L119 WeakPolarHBondContact O-CG 3.45Å; L115-L119 PolarHBondContact O-N 3.45Å; A116-L119 PolarHBondContact O-N 3.23Å; L119-N121 PolarHBondContact O-N 3.4Å; L119-F126 HydrophobicContact CD2-CD2 4.5Å; L119-F126 HydrophobicContact CD2-CE2 4.14Å; L119-E222 HydrophobicContact CD1-CB 3.89Å; L119-M223 HydrophobicContact CD1-SD 4.42Å; L119-M223 HydrophobicContact CD2-SD 4.13Å; L119-R226 PolarHBondContact O-NE 3.49Å; L119-R226 PolarHBondContact O-NH2 2.93Å
120S92.2Very high93.9Very high42 Ų4232.8 Ų32.829%0.29417%0.173SC..Hα-helixtrans-69.3-30.4175.365.20000113.2A116 G117 V122A116-S120 WeakPolarHBondContact O-CB 3.28Å; A116-S120 PolarHBondContact O-N 2.83Å; A116-S120 PolarHBondContact O-OG 3.41Å; A116-S120 VanDerWaalsContact O-OG 3.14Å; G117-S120 PolarHBondContact O-OG 2.95Å; S120-V122 PolarHBondContact O-N 3.41Å
121N90.1Very high94.1Very high53 Ų5332.1 Ų32.128%0.28317%0.17SC..  trans-81.7101.9179.4-177.2-4.6000112.3G117 L118 L119 Q123 V124 R226 M336G117-N121 PolarHBondContact O-N 2.99Å; L118-N121 PolarHBondContact O-N 3.43Å; L119-N121 PolarHBondContact O-N 3.4Å; N121-Q123 PolarHBondContact O-N 3.2Å; N121-Q123 WeakPolarHBondContact OD1-CB 3.48Å; N121-Q123 PolarHBondContact OD1-N 2.91Å; N121-V124 HydrophobicContact CB-CG2 3.85Å; N121-V124 WeakPolarHBondContact O-CB 3.38Å; N121-V124 PolarHBondContact O-N 2.81Å; N121-R226 PolarHBondContact O-NH2 2.94Å; N121-M336 HydrophobicContact CB-SD 3.78Å; N121-M336 PolarHBondContact ND2-SD 3.07Å
122V88.6Confident94.3Very high59 Ų5931.9 Ų31.936%0.35817%0.169SC..THydrogen-bonded Turntrans-56.5-20.1-177.8-70.40000116.3S120 V124 K125S120-V122 PolarHBondContact O-N 3.41Å; V122-V124 VanDerWaalsContact C-N 3.31Å; V122-K125 VanDerWaalsContact O-CE 3.24Å; V122-K125 WeakPolarHBondContact O-CE 3.5Å; V122-K125 PolarHBondContact O-NZ 2.8Å
123Q88.8Confident94.6Very high149 Ų14932 Ų3270%0.69617%0.169SC*.THydrogen-bonded Turntrans-75.4-22.8176.3-57.9-57.6-26.100112.2N121 K125N121-Q123 PolarHBondContact O-N 3.2Å; N121-Q123 WeakPolarHBondContact OD1-CB 3.48Å; N121-Q123 PolarHBondContact OD1-N 2.91Å; Q123-K125 PolarHBondContact O-N 2.84Å
124V91.5Very high94.8Very high0 Ų031.9 Ų31.90%017%0.169CC..  trans-76.7119.8174.2-175.70000108.7L118 N121 V122 F126 R226 M328 M336L118-V124 HydrophobicContact CB-CG1 4.37Å; L118-V124 HydrophobicContact CD2-CG1 4.32Å; L118-V124 HydrophobicContact CD2-CG2 4.19Å; L118-V124 WeakPolarHBondContact O-CB 3.39Å; N121-V124 HydrophobicContact CB-CG2 3.85Å; N121-V124 WeakPolarHBondContact O-CB 3.38Å; N121-V124 PolarHBondContact O-N 2.81Å; V122-V124 VanDerWaalsContact C-N 3.31Å; V124-F126 HydrophobicContact CG1-CD2 4.19Å; V124-F126 HydrophobicContact CG1-CE2 3.67Å; V124-F126 HydrophobicContact CG1-CZ 4.14Å; V124-R226 PolarHBondContact O-NH1 3.26Å; V124-R226 PolarHBondContact O-NH2 3.48Å; V124-M328 HydrophobicContact CG1-SD 3.82Å; V124-M336 HydrophobicContact CG2-CE 3.69Å; V124-M336 HydrophobicContact CG2-SD 3.63Å
125K90.4Very high95Very high144 Ų14431.4 Ų31.463%0.62617%0.166SC*.  trans-119.5126.2174.4-58.7-59.3-176.7-163.90109.1V122 Q123V122-K125 VanDerWaalsContact O-CE 3.24Å; V122-K125 WeakPolarHBondContact O-CE 3.5Å; V122-K125 PolarHBondContact O-NZ 2.8Å; Q123-K125 PolarHBondContact O-N 2.84Å
126F95.2Very high95.1Very high27 Ų2734.3 Ų34.312%0.11818%0.179CC..  trans-96.4128.4170.9-65.6-94.9000108.9L115 L118 L119 V124 E130 I131 V134 M223 M328L115-F126 HydrophobicContact CD1-CZ 4.24Å; L118-F126 HydrophobicContact CB-CE2 4.26Å; L118-F126 HydrophobicContact CB-CZ 4.09Å; L118-F126 HydrophobicContact CD1-CZ 4.06Å; L119-F126 HydrophobicContact CD2-CD2 4.5Å; L119-F126 HydrophobicContact CD2-CE2 4.14Å; V124-F126 HydrophobicContact CG1-CD2 4.19Å; V124-F126 HydrophobicContact CG1-CE2 3.67Å; V124-F126 HydrophobicContact CG1-CZ 4.14Å; F126-E130 HydrophobicContact CB-CB 4.49Å; F126-E130 HydrophobicContact CD1-CB 4.21Å; F126-I131 HydrophobicContact CB-CD1 4.18Å; F126-I131 HydrophobicContact CB-CG1 3.61Å; F126-I131 HydrophobicContact CG-CG1 4.44Å; F126-V134 HydrophobicContact CD1-CG2 4.42Å; F126-V134 HydrophobicContact CE1-CG2 4.07Å; F126-M223 HydrophobicContact CD1-CE 3.88Å; F126-M223 HydrophobicContact CD2-CE 4.1Å; F126-M223 HydrophobicContact CE1-CE 4.02Å; F126-M223 HydrophobicContact CE2-CE 4.24Å; F126-M223 HydrophobicContact CG-CE 3.92Å; F126-M223 HydrophobicContact CZ-CE 4.2Å; F126-M328 HydrophobicContact CD1-CE 3.66Å; F126-M328 HydrophobicContact CE1-CE 3.26Å; F126-M328 HydrophobicContact CG-CE 4.49Å; F126-M328 HydrophobicContact CZ-CE 3.8Å
127S96.4Very high95.3Very high56 Ų5633.8 Ų33.839%0.39217%0.174SC..  trans-71.8163.7163.266.30000110.7G129 E130 I131S127-G129 VanDerWaalsContact C-N 3.32Å; S127-G129 PolarHBondContact O-N 2.87Å; S127-E130 WeakPolarHBondContact CB-OE2 3.26Å; S127-E130 PolarHBondContact N-OE2 2.67Å; S127-E130 PolarHBondContact O-N 3.01Å; S127-E130 VanDerWaalsContact O-N 3.13Å; S127-E130 VanDerWaalsContact OG-CD 3.22Å; S127-E130 VanDerWaalsContact OG-CG 3.22Å; S127-E130 WeakPolarHBondContact OG-CG 3.42Å; S127-E130 PolarHBondContact OG-N 2.72Å; S127-E130 PolarHBondContact OG-OE2 3.42Å; S127-I131 WeakPolarHBondContact O-CG1 3.47Å; S127-I131 PolarHBondContact O-N 2.84Å
128L97.8Very high95.5Very high45 Ų4533.6 Ų33.624%0.23617%0.173CC..Hα-helixtrans-60-41179-18059.2000112.6E130 I131 K132 W224 D286 F315 P320L128-E130 VanDerWaalsContact C-N 3.29Å; L128-E130 PolarHBondContact O-N 3.46Å; L128-I131 PolarHBondContact O-N 3.38Å; L128-K132 WeakPolarHBondContact O-CG 3.5Å; L128-K132 PolarHBondContact O-N 3.33Å; L128-W224 HydrophobicContact CD1-CZ2 4.11Å; L128-D286 HydrophobicContact CD1-CB 4.16Å; L128-D286 HydrophobicContact CD2-CB 4.1Å; L128-D286 WeakPolarHBondContact CD2-OD2 3.01Å; L128-F315 HydrophobicContact CD1-CE2 3.93Å; L128-F315 HydrophobicContact CD1-CZ 4.4Å; L128-P320 HydrophobicContact CB-CG 4.06Å; L128-P320 HydrophobicContact CD2-CG 3.68Å; L128-P320 HydrophobicContact CG-CG 3.93Å
129G98.3Very high95.8Very high4 Ų433.6 Ų33.64%0.04117%0.173CC..Hα-helixtrans-63.1-34.9175.700000112.8S127 K132 E133 M321 P322 C323S127-G129 VanDerWaalsContact C-N 3.32Å; S127-G129 PolarHBondContact O-N 2.87Å; G129-K132 WeakPolarHBondContact O-CB 3.28Å; G129-K132 PolarHBondContact O-N 2.75Å; G129-E133 PolarHBondContact O-N 2.85Å; G129-M321 WeakPolarHBondContact CA-O 3.34Å; G129-P322 WeakPolarHBondContact O-CA 3.31Å; G129-C323 PolarHBondContact O-N 3.21Å
130E98Very high95.9Very high21 Ų2135.9 Ų35.910%0.09818%0.183CC..Hα-helixtrans-72.6-39175.3-69.9166.1144.500111.6F126 S127 L128 K132 E133 V134 L325 M328F126-E130 HydrophobicContact CB-CB 4.49Å; F126-E130 HydrophobicContact CD1-CB 4.21Å; S127-E130 WeakPolarHBondContact CB-OE2 3.26Å; S127-E130 PolarHBondContact N-OE2 2.67Å; S127-E130 PolarHBondContact O-N 3.01Å; S127-E130 VanDerWaalsContact O-N 3.13Å; S127-E130 VanDerWaalsContact OG-CD 3.22Å; S127-E130 VanDerWaalsContact OG-CG 3.22Å; S127-E130 WeakPolarHBondContact OG-CG 3.42Å; S127-E130 PolarHBondContact OG-N 2.72Å; S127-E130 PolarHBondContact OG-OE2 3.42Å; L128-E130 VanDerWaalsContact C-N 3.29Å; L128-E130 PolarHBondContact O-N 3.46Å; E130-K132 VanDerWaalsContact C-N 3.31Å; E130-K132 PolarHBondContact O-N 3.18Å; E130-E133 PolarHBondContact O-N 2.81Å; E130-V134 WeakPolarHBondContact O-CG2 3.35Å; E130-V134 PolarHBondContact O-N 2.75Å; E130-L325 HydrophobicContact CB-CD2 3.47Å; E130-L325 VanDerWaalsContact CB-CD2 3.47Å; E130-L325 HydrophobicContact CG-CD2 3.82Å; E130-L325 WeakPolarHBondContact O-CD2 3.39Å; E130-M328 WeakPolarHBondContact OE1-CB 3.36Å
131I98.3Very high96.3Very high4 Ų433.9 Ų33.92%0.02117%0.169CC..Hα-helixtrans-62.3-42.7173.5-62.8174.6000110.5F126 S127 L128 E133 V134 M135 M223 W224F126-I131 HydrophobicContact CB-CD1 4.18Å; F126-I131 HydrophobicContact CB-CG1 3.61Å; F126-I131 HydrophobicContact CG-CG1 4.44Å; S127-I131 WeakPolarHBondContact O-CG1 3.47Å; S127-I131 PolarHBondContact O-N 2.84Å; L128-I131 PolarHBondContact O-N 3.38Å; I131-E133 VanDerWaalsContact C-N 3.3Å; I131-E133 PolarHBondContact O-N 2.87Å; I131-V134 PolarHBondContact O-N 3.13Å; I131-M135 HydrophobicContact CG2-CG 4.37Å; I131-M135 WeakPolarHBondContact O-CG 3.38Å; I131-M135 PolarHBondContact O-N 3.32Å; I131-M223 HydrophobicContact CB-CE 4.43Å; I131-M223 HydrophobicContact CD1-CB 4.16Å; I131-M223 HydrophobicContact CG1-CB 4.23Å; I131-M223 HydrophobicContact CG1-CE 3.95Å; I131-M223 HydrophobicContact CG2-CB 3.78Å; I131-M223 HydrophobicContact CG2-CE 4.35Å; I131-M223 HydrophobicContact CG2-CG 3.98Å; I131-W224 HydrophobicContact CB-CZ2 4.33Å; I131-W224 HydrophobicContact CD1-CD2 4.11Å; I131-W224 HydrophobicContact CD1-CG 4.44Å; I131-W224 HydrophobicContact CD1-CZ2 3.84Å; I131-W224 HydrophobicContact CG2-CH2 3.46Å; I131-W224 VanDerWaalsContact CG2-CH2 3.46Å; I131-W224 HydrophobicContact CG2-CZ2 3.67Å; I131-W224 HydrophobicContact CG2-CZ3 3.99Å
132K98.7Very high96.7Very high0 Ų031.3 Ų31.30%016%0.155CC..Hα-helixtrans-56.5-45.4173.1-76.5177.1-177.8-160.80111.2L128 G129 E130 M135 K136 F315 F316 T318 P320 P322L128-K132 WeakPolarHBondContact O-CG 3.5Å; L128-K132 PolarHBondContact O-N 3.33Å; G129-K132 WeakPolarHBondContact O-CB 3.28Å; G129-K132 PolarHBondContact O-N 2.75Å; E130-K132 VanDerWaalsContact C-N 3.31Å; E130-K132 PolarHBondContact O-N 3.18Å; K132-M135 PolarHBondContact O-N 3.25Å; K132-K136 WeakPolarHBondContact O-CB 3.36Å; K132-K136 PolarHBondContact O-N 2.84Å; K132-F315 HydrophobicContact CB-CE1 4.21Å; K132-F315 HydrophobicContact CB-CZ 4.23Å; K132-F315 HydrophobicContact CD-CE2 4.2Å; K132-F315 HydrophobicContact CD-CZ 4.31Å; K132-F315 VanDerWaalsContact CD-O 3.29Å; K132-F315 WeakPolarHBondContact CD-O 3.5Å; K132-F315 WeakPolarHBondContact CE-O 3.37Å; K132-F315 HydrophobicContact CG-CD1 4.08Å; K132-F315 HydrophobicContact CG-CD2 4.18Å; K132-F315 HydrophobicContact CG-CE1 3.5Å; K132-F315 HydrophobicContact CG-CE2 3.58Å; K132-F315 HydrophobicContact CG-CG 4.41Å; K132-F315 HydrophobicContact CG-CZ 3.23Å; K132-F315 PolarHBondContact NZ-O 3.07Å; K132-F316 HydrophobicContact CB-CD1 4.38Å; K132-F316 VanDerWaalsContact O-CE1 3.26Å; K132-F316 WeakPolarHBondContact O-CE1 3.49Å; K132-T318 PolarHBondContact NZ-O 3.27Å; K132-P320 WeakPolarHBondContact CD-O 3.49Å; K132-P320 VanDerWaalsContact CE-O 3.31Å; K132-P320 WeakPolarHBondContact CE-O 3.43Å; K132-P320 PolarHBondContact NZ-O 2.68Å; K132-P322 HydrophobicContact CB-CB 4.09Å; K132-P322 HydrophobicContact CB-CG 4Å
133E98.6Very high97.2Very high35 Ų3533 Ų3316%0.16416%0.156CC..Hα-helixtrans-65.8-42.8178.8-17660.7-16200113G129 E130 I131 M135 K136 Q137 P322 C323 L325G129-E133 PolarHBondContact O-N 2.85Å; E130-E133 PolarHBondContact O-N 2.81Å; I131-E133 VanDerWaalsContact C-N 3.3Å; I131-E133 PolarHBondContact O-N 2.87Å; E133-M135 PolarHBondContact O-N 3.23Å; E133-K136 PolarHBondContact O-N 3.08Å; E133-Q137 WeakPolarHBondContact O-CB 3.49Å; E133-Q137 WeakPolarHBondContact O-CG 3.5Å; E133-Q137 PolarHBondContact O-N 3.46Å; E133-Q137 PolarHBondContact OE1-NE2 3.23Å; E133-P322 HydrophobicContact CB-CB 4.25Å; E133-P322 WeakPolarHBondContact OE2-CB 3.44Å; E133-C323 WeakPolarHBondContact CB-O 3.12Å; E133-C323 WeakPolarHBondContact CG-O 3.42Å; E133-L325 HydrophobicContact CB-CD2 4.23Å; E133-L325 HydrophobicContact CG-CD2 4.42Å; E133-L325 HydrophobicContact CG-CG 4.16Å
134V98.6Very high97.6Very high0 Ų027.6 Ų27.60%013%0.13CC..Hα-helixtrans-57-51.3173.8168.80000110.4L115 F126 E130 I131 Q137 L138 L168 M223 L325L115-V134 HydrophobicContact CD1-CG1 4.42Å; L115-V134 HydrophobicContact CD2-CG1 4.32Å; F126-V134 HydrophobicContact CD1-CG2 4.42Å; F126-V134 HydrophobicContact CE1-CG2 4.07Å; E130-V134 WeakPolarHBondContact O-CG2 3.35Å; E130-V134 PolarHBondContact O-N 2.75Å; I131-V134 PolarHBondContact O-N 3.13Å; V134-Q137 PolarHBondContact O-N 3.47Å; V134-L138 WeakPolarHBondContact O-CB 3.39Å; V134-L138 PolarHBondContact O-N 3.25Å; V134-L168 HydrophobicContact CG1-CD1 3.97Å; V134-L168 WeakPolarHBondContact O-CD1 3.46Å; V134-M223 HydrophobicContact CB-CE 4.11Å; V134-M223 HydrophobicContact CG1-CE 3.99Å; V134-M223 HydrophobicContact CG1-SD 4.08Å; V134-M223 HydrophobicContact CG2-CE 4.05Å; V134-L325 HydrophobicContact CG2-CD1 3.55Å; V134-L325 HydrophobicContact CG2-CD2 3.91Å; V134-L325 HydrophobicContact CG2-CG 4.38Å
135M98.8Very high98Very high0 Ų027.6 Ų27.60%013%0.13CC..Hα-helixtrans-69.2-36.2-176.2-70.6-52.1-49.900112.6I131 K132 E133 L138 L139 M220 M223 M296 F316I131-M135 HydrophobicContact CG2-CG 4.37Å; I131-M135 WeakPolarHBondContact O-CG 3.38Å; I131-M135 PolarHBondContact O-N 3.32Å; K132-M135 PolarHBondContact O-N 3.25Å; E133-M135 PolarHBondContact O-N 3.23Å; M135-L138 HydrophobicContact CE-CD2 4.02Å; M135-L138 PolarHBondContact O-N 3.41Å; M135-L139 WeakPolarHBondContact O-CB 3.36Å; M135-L139 VanDerWaalsContact O-CG 3.28Å; M135-L139 WeakPolarHBondContact O-CG 3.2Å; M135-L139 PolarHBondContact O-N 2.99Å; M135-M220 HydrophobicContact CE-CB 3.6Å; M135-M220 HydrophobicContact CE-CG 3.96Å; M135-M220 HydrophobicContact CE-SD 3.99Å; M135-M220 HydrophobicContact CG-CB 4.39Å; M135-M220 HydrophobicContact CG-CG 3.89Å; M135-M220 HydrophobicContact CG-SD 4.12Å; M135-M220 HydrophobicContact SD-CB 3.71Å; M135-M220 HydrophobicContact SD-CG 3.9Å; M135-M223 HydrophobicContact SD-CG 4.48Å; M135-M296 HydrophobicContact CE-CE 4.47Å; M135-F316 HydrophobicContact CB-CE1 3.9Å; M135-F316 HydrophobicContact CB-CZ 3.91Å
136K98.9Very high98.3Very high60 Ų6021.6 Ų21.626%0.26110%0.104SC..Hα-helixtrans-59.8-53.3174.9-176.1-173.5174.4-148.10110.5K132 E133 L138 L139 E140 L311 F316 P322K132-K136 WeakPolarHBondContact O-CB 3.36Å; K132-K136 PolarHBondContact O-N 2.84Å; E133-K136 PolarHBondContact O-N 3.08Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 3.19Å; K136-L139 PolarHBondContact O-N 2.92Å; K136-E140 WeakPolarHBondContact CE-OE1 3.49Å; K136-E140 IonicContact NZ-OE1 3.36Å; K136-E140 WeakPolarHBondContact O-CG 3.47Å; K136-E140 PolarHBondContact O-N 3.16Å; K136-L311 HydrophobicContact CG-CD2 4.11Å; K136-F316 HydrophobicContact CB-CD1 3.9Å; K136-F316 HydrophobicContact CB-CE1 3.84Å; K136-P322 HydrophobicContact CD-CB 4.46Å; K136-P322 HydrophobicContact CD-CG 4.32Å
137Q98.8Very high98.4Very high2 Ų224.8 Ų24.81%0.00912%0.121CC..Hα-helixtrans-63.5-35.1179.5-74.4-170.153.500113N82 E133 V134 G141 G166 L168N82-Q137 WeakPolarHBondContact CB-O 3.28Å; N82-Q137 VanDerWaalsContact CG-O 3.32Å; N82-Q137 WeakPolarHBondContact ND2-CB 3.26Å; N82-Q137 PolarHBondContact ND2-OE1 2.9Å; E133-Q137 WeakPolarHBondContact O-CB 3.49Å; E133-Q137 WeakPolarHBondContact O-CG 3.5Å; E133-Q137 PolarHBondContact O-N 3.46Å; E133-Q137 PolarHBondContact OE1-NE2 3.23Å; V134-Q137 PolarHBondContact O-N 3.47Å; Q137-G141 PolarHBondContact O-N 2.88Å; Q137-G166 PolarHBondContact NE2-O 2.93Å; Q137-L168 HydrophobicContact CB-CB 3.85Å; Q137-L168 HydrophobicContact CB-CD1 4.46Å
138L98.9Very high98.5Very high0 Ų026.7 Ų26.70%012%0.124CC..Hα-helixtrans-62.7-46.6174-177.4145.1000111.3V134 M135 K136 G141 L142 M155 V160 L168 L170 A216 I219V134-L138 WeakPolarHBondContact O-CB 3.39Å; V134-L138 PolarHBondContact O-N 3.25Å; M135-L138 HydrophobicContact CE-CD2 4.02Å; M135-L138 PolarHBondContact O-N 3.41Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 3.19Å; L138-G141 PolarHBondContact O-N 3.44Å; L138-L142 HydrophobicContact CD2-CD1 3.76Å; L138-L142 HydrophobicContact CD2-CG 4.39Å; L138-L142 PolarHBondContact O-N 3.31Å; L138-M155 HydrophobicContact CD1-CE 4.21Å; L138-M155 HydrophobicContact CD2-CE 4.47Å; L138-M155 HydrophobicContact CG-CE 4.42Å; L138-V160 HydrophobicContact CD1-CG1 4.28Å; L138-V160 HydrophobicContact CD1-CG2 3.77Å; L138-L168 HydrophobicContact CB-CD1 3.96Å; L138-L168 HydrophobicContact CB-CD2 4.28Å; L138-L170 HydrophobicContact CG-CD2 4.44Å; L138-A216 HydrophobicContact CD2-CB 3.49Å; L138-A216 VanDerWaalsContact CD2-CB 3.49Å; L138-I219 HydrophobicContact CD1-CD1 4.32Å; L138-I219 HydrophobicContact CD1-CG2 4.11Å
139L98.9Very high98.4Very high0 Ų029.4 Ų29.40%013%0.133CC..Hα-helixtrans-70.8-35.6179.5-70.4169.3000112.4M135 K136 G141 L142 Y143 M296 A310 L311 F316M135-L139 WeakPolarHBondContact O-CB 3.36Å; M135-L139 VanDerWaalsContact O-CG 3.28Å; M135-L139 WeakPolarHBondContact O-CG 3.2Å; M135-L139 PolarHBondContact O-N 2.99Å; K136-L139 PolarHBondContact O-N 2.92Å; L139-G141 VanDerWaalsContact C-N 3.32Å; L139-G141 PolarHBondContact O-N 3.49Å; L139-L142 PolarHBondContact O-N 3.49Å; L139-Y143 VanDerWaalsContact O-CB 3.24Å; L139-Y143 WeakPolarHBondContact O-CB 3.45Å; L139-Y143 PolarHBondContact O-N 3.42Å; L139-M296 HydrophobicContact CD2-CE 3.9Å; L139-A310 HydrophobicContact CD1-CB 3.72Å; L139-A310 HydrophobicContact CD2-CB 3.98Å; L139-A310 HydrophobicContact CG-CB 4.46Å; L139-L311 HydrophobicContact CB-CD1 4.43Å; L139-L311 HydrophobicContact CB-CD2 3.64Å; L139-L311 HydrophobicContact CB-CG 3.81Å; L139-F316 HydrophobicContact CD1-CE2 3.66Å; L139-F316 HydrophobicContact CD1-CZ 3.63Å
140E98.9Very high98.3Very high52 Ų5229.9 Ų29.924%0.24314%0.135CC..Hα-helixtrans-60.6-42.4170.8-74.7171.7161.800111K136 F144 L311K136-E140 WeakPolarHBondContact CE-OE1 3.49Å; K136-E140 IonicContact NZ-OE1 3.36Å; K136-E140 WeakPolarHBondContact O-CG 3.47Å; K136-E140 PolarHBondContact O-N 3.16Å; E140-F144 WeakPolarHBondContact O-CB 3.34Å; E140-F144 PolarHBondContact O-N 3.33Å; E140-L311 HydrophobicContact CG-CD1 4.14Å; E140-L311 HydrophobicContact CG-CD2 3.82Å
141G98.8Very high98.3Very high0 Ų028.9 Ų28.90%013%0.13CC..Hα-helixtrans-61-46.9172.900000112.7Q137 L138 L139 F144 I145 L170Q137-G141 PolarHBondContact O-N 2.88Å; L138-G141 PolarHBondContact O-N 3.44Å; L139-G141 VanDerWaalsContact C-N 3.32Å; L139-G141 PolarHBondContact O-N 3.49Å; G141-F144 PolarHBondContact O-N 2.9Å; G141-I145 WeakPolarHBondContact O-CG2 3.08Å; G141-I145 PolarHBondContact O-N 3.2Å; G141-I145 VanDerWaalsContact O-N 3.1Å; G141-L170 VanDerWaalsContact C-CD1 3.47Å
142L98.9Very high98.3Very high0 Ų028.7 Ų28.70%013%0.129CC..Hα-helixtrans-64.9-46.2178.4-75-179.2000111.9L138 L139 F144 I145 H146 M155 L170 D212 I213 A216 A307L138-L142 HydrophobicContact CD2-CD1 3.76Å; L138-L142 HydrophobicContact CD2-CG 4.39Å; L138-L142 PolarHBondContact O-N 3.31Å; L139-L142 PolarHBondContact O-N 3.49Å; L142-F144 VanDerWaalsContact C-N 3.29Å; L142-F144 PolarHBondContact O-N 3.46Å; L142-I145 HydrophobicContact CD2-CD1 3.85Å; L142-I145 HydrophobicContact CD2-CG1 4.42Å; L142-I145 VanDerWaalsContact O-CG1 3.26Å; L142-I145 WeakPolarHBondContact O-CG1 3.47Å; L142-I145 PolarHBondContact O-N 3.33Å; L142-H146 VanDerWaalsContact O-CB 3.27Å; L142-H146 WeakPolarHBondContact O-CB 3.37Å; L142-H146 PolarHBondContact O-N 3.2Å; L142-H146 PolarHBondContact O-ND1 3.1Å; L142-M155 HydrophobicContact CD1-CE 4.35Å; L142-M155 HydrophobicContact CD2-CE 4.31Å; L142-M155 HydrophobicContact CD2-SD 3.89Å; L142-L170 HydrophobicContact CD2-CD1 3.94Å; L142-L170 HydrophobicContact CG-CD1 4.2Å; L142-D212 HydrophobicContact CD2-CB 3.93Å; L142-I213 HydrophobicContact CD1-CD1 4.19Å; L142-A216 HydrophobicContact CD1-CB 3.75Å; L142-A307 HydrophobicContact CB-CB 4.34Å
143Y98.8Very high98.2Very high93 Ų9329 Ų2937%0.36513%0.13SC..Hα-helixtrans-53.6-48.5175.1174.5-104.5000111L139 H146 M147 D308 L311L139-Y143 VanDerWaalsContact O-CB 3.24Å; L139-Y143 WeakPolarHBondContact O-CB 3.45Å; L139-Y143 PolarHBondContact O-N 3.42Å; Y143-H146 PolarHBondContact O-N 2.73Å; Y143-M147 HydrophobicContact CD2-CG 4.29Å; Y143-M147 HydrophobicContact CE1-CG 4.09Å; Y143-M147 HydrophobicContact CE2-CG 3.83Å; Y143-M147 HydrophobicContact CE2-SD 4.36Å; Y143-M147 WeakPolarHBondContact O-CB 3.48Å; Y143-M147 WeakPolarHBondContact O-CG 3.13Å; Y143-M147 PolarHBondContact O-N 2.92Å; Y143-D308 HydrophobicContact CD2-CB 3.96Å; Y143-D308 HydrophobicContact CE2-CB 3.89Å; Y143-L311 HydrophobicContact CG-CD1 4.42Å
144F98.8Very high98.1Very high36 Ų3627.5 Ų27.516%0.15812%0.123CC..Hα-helixtrans-59.4-51.8178173.6-99.4000112.4L78 K79 H80 V83 E140 G141 L142 H146 M147 Q148L78-F144 HydrophobicContact CB-CE1 4.14Å; L78-F144 HydrophobicContact CD2-CE1 3.84Å; K79-F144 WeakPolarHBondContact O-CZ 3.41Å; H80-F144 HydrophobicContact CB-CB 4.47Å; H80-F144 HydrophobicContact CB-CD1 3.42Å; H80-F144 VanDerWaalsContact CB-CD1 3.42Å; H80-F144 HydrophobicContact CB-CD2 4.08Å; H80-F144 HydrophobicContact CB-CE1 3.52Å; H80-F144 HydrophobicContact CB-CE2 4.16Å; H80-F144 HydrophobicContact CB-CG 3.72Å; H80-F144 HydrophobicContact CB-CZ 3.9Å; H80-F144 AromaticContact CD2-CD2 3.89Å; H80-F144 AromaticContact CD2-CG 3.87Å; H80-F144 AromaticContact CG-CD1 3.88Å; H80-F144 AromaticContact CG-CG 3.7Å; V83-F144 HydrophobicContact CG2-CD1 4.01Å; V83-F144 HydrophobicContact CG2-CE1 4.44Å; E140-F144 WeakPolarHBondContact O-CB 3.34Å; E140-F144 PolarHBondContact O-N 3.33Å; G141-F144 PolarHBondContact O-N 2.9Å; L142-F144 VanDerWaalsContact C-N 3.29Å; L142-F144 PolarHBondContact O-N 3.46Å; F144-H146 VanDerWaalsContact C-N 3.32Å; F144-H146 PolarHBondContact O-N 3.49Å; F144-M147 WeakPolarHBondContact O-CB 3.4Å; F144-M147 PolarHBondContact O-N 3.04Å; F144-Q148 HydrophobicContact CD2-CG 4.44Å; F144-Q148 HydrophobicContact CE1-CG 4.06Å; F144-Q148 HydrophobicContact CE2-CG 3.98Å; F144-Q148 HydrophobicContact CZ-CG 3.77Å; F144-Q148 WeakPolarHBondContact O-CG 3.48Å; F144-Q148 PolarHBondContact O-N 2.83Å
145I98.6Very high98Very high0 Ų027.6 Ų27.60%012%0.124CC..Hα-helixtrans-66.8-35.4-177.567.5172.4000111.8L78 V83 G141 L142 M147 Q148 K149 I150 H152 L170 F173L78-I145 HydrophobicContact CD1-CG2 3.87Å; L78-I145 HydrophobicContact CD2-CG2 4.29Å; V83-I145 HydrophobicContact CG2-CG2 3.77Å; G141-I145 WeakPolarHBondContact O-CG2 3.08Å; G141-I145 PolarHBondContact O-N 3.2Å; G141-I145 VanDerWaalsContact O-N 3.1Å; L142-I145 HydrophobicContact CD2-CD1 3.85Å; L142-I145 HydrophobicContact CD2-CG1 4.42Å; L142-I145 VanDerWaalsContact O-CG1 3.26Å; L142-I145 WeakPolarHBondContact O-CG1 3.47Å; L142-I145 PolarHBondContact O-N 3.33Å; I145-M147 VanDerWaalsContact C-N 3.34Å; I145-Q148 CarbonylContact O-C 3.46Å; I145-Q148 PolarHBondContact O-N 3.35Å; I145-K149 PolarHBondContact O-N 2.99Å; I145-I150 CarbonylContact C-O 3.6Å; I145-I150 HydrophobicContact CB-CB 4.33Å; I145-I150 WeakPolarHBondContact O-CB 3.45Å; I145-I150 PolarHBondContact O-N 3.05Å; I145-H152 HydrophobicContact CD1-CB 3.83Å; I145-L170 HydrophobicContact CD1-CD1 4.21Å; I145-F173 HydrophobicContact CD1-CE1 4.34Å; I145-F173 HydrophobicContact CG2-CE1 4.12Å; I145-F173 HydrophobicContact CG2-CZ 4.16Å
146H98Very high97.9Very high19 Ų1928.9 Ų28.99%0.08813%0.13CC..Hα-helixtrans-66.5-38.5175.8-67.8172.8000111L142 Y143 F144 Q148 K149 I150 T209 D212L142-H146 VanDerWaalsContact O-CB 3.27Å; L142-H146 WeakPolarHBondContact O-CB 3.37Å; L142-H146 PolarHBondContact O-N 3.2Å; L142-H146 PolarHBondContact O-ND1 3.1Å; Y143-H146 PolarHBondContact O-N 2.73Å; F144-H146 VanDerWaalsContact C-N 3.32Å; F144-H146 PolarHBondContact O-N 3.49Å; H146-Q148 VanDerWaalsContact C-N 3.32Å; H146-Q148 PolarHBondContact O-N 3.2Å; H146-K149 WeakPolarHBondContact O-CA 3.31Å; H146-K149 PolarHBondContact O-N 3.37Å; H146-I150 PolarHBondContact CD2-O 3.11Å; H146-T209 HydrophobicContact CB-CG2 3.83Å; H146-T209 PolarHBondContact CE1-O 2.96Å; H146-T209 VanDerWaalsContact CG-CG2 3.49Å; H146-D212 IonicContact CD2-OD2 3.98Å; H146-D212 IonicContact CE1-OD2 3.21Å; H146-D212 IonicContact NE2-OD2 3.45Å; H146-D212 PolarHBondContact NE2-OD2 3.27Å
147M97.3Very high97.8Very high93 Ų9326 Ų2646%0.45812%0.117SC..Hα-helixtrans-64.3-37.5172.8-81.5-86.562.900112.7Y143 F144 I145 K149Y143-M147 HydrophobicContact CD2-CG 4.29Å; Y143-M147 HydrophobicContact CE1-CG 4.09Å; Y143-M147 HydrophobicContact CE2-CG 3.83Å; Y143-M147 HydrophobicContact CE2-SD 4.36Å; Y143-M147 WeakPolarHBondContact O-CB 3.48Å; Y143-M147 WeakPolarHBondContact O-CG 3.13Å; Y143-M147 PolarHBondContact O-N 2.92Å; F144-M147 WeakPolarHBondContact O-CB 3.4Å; F144-M147 PolarHBondContact O-N 3.04Å; I145-M147 VanDerWaalsContact C-N 3.34Å; M147-K149 PolarHBondContact O-N 3.29Å; M147-K149 VanDerWaalsContact O-N 3.15Å
148Q97Very high97.6Very high97 Ų9727 Ų2745%0.45313%0.126SC..THydrogen-bonded Turntrans-74.28.8170.9-63.1-56.4-50.600113.7L78 F144 I145 H146 I150L78-Q148 HydrophobicContact CD2-CB 3.76Å; L78-Q148 HydrophobicContact CD2-CG 3.95Å; F144-Q148 HydrophobicContact CD2-CG 4.44Å; F144-Q148 HydrophobicContact CE1-CG 4.06Å; F144-Q148 HydrophobicContact CE2-CG 3.98Å; F144-Q148 HydrophobicContact CZ-CG 3.77Å; F144-Q148 WeakPolarHBondContact O-CG 3.48Å; F144-Q148 PolarHBondContact O-N 2.83Å; I145-Q148 CarbonylContact O-C 3.46Å; I145-Q148 PolarHBondContact O-N 3.35Å; H146-Q148 VanDerWaalsContact C-N 3.32Å; H146-Q148 PolarHBondContact O-N 3.2Å; Q148-I150 VanDerWaalsContact C-N 3.34Å; Q148-I150 HydrophobicContact CB-CG1 4.48Å; Q148-I150 PolarHBondContact O-N 3.34Å
149K96.3Very high97.5Very high102 Ų10227.8 Ų27.844%0.44313%0.13SC..THydrogen-bonded Turntrans56.945.6-179.7-52.1-58.8177.4-1710111.7I145 H146 M147 P178 L179I145-K149 PolarHBondContact O-N 2.99Å; H146-K149 WeakPolarHBondContact O-CA 3.31Å; H146-K149 PolarHBondContact O-N 3.37Å; M147-K149 PolarHBondContact O-N 3.29Å; M147-K149 VanDerWaalsContact O-N 3.15Å; K149-P178 CarbonylContact O-C 3.54Å; K149-P178 VanDerWaalsContact O-CA 3.28Å; K149-P178 WeakPolarHBondContact O-CA 2.98Å; K149-L179 HydrophobicContact CB-CB 4.2Å; K149-L179 HydrophobicContact CD-CD2 4.33Å; K149-L179 PolarHBondContact O-N 2.7Å
150I97Very high97.4Very high13 Ų1327.8 Ų27.87%0.06713%0.13CC..EExtended strand (participates in β ladder)trans-119.6133.4173.8-60.5-58.7000109.5I74 L78 I145 H146 Q148 F173 A176 P178I74-I150 HydrophobicContact CD1-CD1 4.2Å; I74-I150 HydrophobicContact CG1-CD1 3.96Å; I74-I150 HydrophobicContact CG2-CD1 4.21Å; I74-I150 HydrophobicContact CG2-CG1 4.24Å; I74-I150 HydrophobicContact CG2-CG2 4.04Å; L78-I150 HydrophobicContact CD1-CG2 4.5Å; L78-I150 HydrophobicContact CD2-CG1 4.15Å; I145-I150 CarbonylContact C-O 3.6Å; I145-I150 HydrophobicContact CB-CB 4.33Å; I145-I150 WeakPolarHBondContact O-CB 3.45Å; I145-I150 PolarHBondContact O-N 3.05Å; H146-I150 PolarHBondContact CD2-O 3.11Å; Q148-I150 VanDerWaalsContact C-N 3.34Å; Q148-I150 HydrophobicContact CB-CG1 4.48Å; Q148-I150 PolarHBondContact O-N 3.34Å; I150-F173 HydrophobicContact CG2-CE1 4.48Å; I150-A176 HydrophobicContact CG2-CB 4.12Å; I150-P178 HydrophobicContact CD1-CB 4.4Å; I150-P178 HydrophobicContact CD1-CG 4.35Å
151L97.1Very high97.4Very high0 Ų026.8 Ų26.80%013%0.126CC..EExtended strand (participates in β ladder)trans-94.5132.5165.7-61.3173.2000109R153 A176 R177 L179 Y207 T209L151-R153 HydrophobicContact CB-CG 3.59Å; L151-A176 WeakPolarHBondContact O-CA 3.32Å; L151-A176 WeakPolarHBondContact O-CB 3.44Å; L151-R177 PolarHBondContact N-O 3.09Å; L151-R177 PolarHBondContact O-N 3.02Å; L151-R177 VanDerWaalsContact O-N 3.08Å; L151-L179 HydrophobicContact CD1-CD1 4.01Å; L151-L179 HydrophobicContact CD2-CD1 4.2Å; L151-L179 HydrophobicContact CG-CB 4.41Å; L151-L179 HydrophobicContact CG-CD1 4.18Å; L151-Y207 HydrophobicContact CD1-CD2 3.97Å; L151-Y207 HydrophobicContact CD1-CE2 3.78Å; L151-T209 VanDerWaalsContact CD2-CA 3.45Å; L151-T209 HydrophobicContact CD2-CG2 3.69Å
152H97.5Very high97.2Very high1 Ų126.8 Ų26.81%0.00513%0.126CC..  trans-73.8-50.3177.3-169.5-92.2000111.3I145 D154 M155 A171 F173 L175 A176 D212I145-H152 HydrophobicContact CD1-CB 3.83Å; H152-D154 PolarHBondContact CE1-O 3.41Å; H152-D154 VanDerWaalsContact ND1-C 3.35Å; H152-D154 PolarHBondContact ND1-N 3.47Å; H152-D154 PolarHBondContact ND1-O 3.35Å; H152-D154 PolarHBondContact O-N 2.98Å; H152-M155 HydrophobicContact CB-CG 4.41Å; H152-M155 HydrophobicContact CB-SD 4.15Å; H152-A171 PolarHBondContact CE1-O 3.39Å; H152-A171 PolarHBondContact NE2-O 2.95Å; H152-F173 AromaticContact CD2-CE1 3.79Å; H152-F173 AromaticContact CD2-CZ 3.8Å; H152-L175 CarbonylContact O-C 3.6Å; H152-A176 WeakPolarHBondContact O-CA 3.27Å; H152-A176 PolarHBondContact O-N 2.83Å; H152-D212 WeakPolarHBondContact CB-OD1 3.33Å; H152-D212 PolarHBondContact N-OD1 2.84Å; H152-D212 PolarHBondContact N-OD2 3.35Å
153R97.1Very high97Very high6 Ų627.9 Ų27.92%0.02313%0.132CC..  trans63.811.6175-42.6-166-61.7157.87.8116.3L151 L175 V190 V191 Y207 I211 D212L151-R153 HydrophobicContact CB-CG 3.59Å; R153-L175 PolarHBondContact NE-O 3.08Å; R153-L175 PolarHBondContact NH2-O 3.23Å; R153-V190 HydrophobicContact CB-CB 4.26Å; R153-V190 HydrophobicContact CB-CG2 4.2Å; R153-V191 WeakPolarHBondContact O-CA 3.19Å; R153-V191 WeakPolarHBondContact O-CG2 3.21Å; R153-V191 PolarHBondContact O-N 2.8Å; R153-Y207 WeakPolarHBondContact CD-OH 3.32Å; R153-Y207 PolarHBondContact NH1-OH 3.05Å; R153-I211 HydrophobicContact CB-CD1 4.33Å; R153-I211 HydrophobicContact CG-CD1 3.86Å; R153-D212 PolarHBondContact N-OD1 3.18Å
154D96.2Very high96.6Very high3 Ų329.8 Ų29.82%0.01614%0.139CC..  trans-147.949.4168.3-161.433.8000112.2H152 K156 N159 L175 T192H152-D154 PolarHBondContact CE1-O 3.41Å; H152-D154 VanDerWaalsContact ND1-C 3.35Å; H152-D154 PolarHBondContact ND1-N 3.47Å; H152-D154 PolarHBondContact ND1-O 3.35Å; H152-D154 PolarHBondContact O-N 2.98Å; D154-K156 PolarHBondContact O-N 3.5Å; D154-K156 IonicContact OD1-NZ 2.64Å; D154-K156 IonicContact OD2-NZ 3.66Å; D154-K156 PolarHBondContact OD2-NZ 3.05Å; D154-N159 PolarHBondContact O-ND2 3.46Å; D154-N159 PolarHBondContact OD2-ND2 3.45Å; D154-L175 HydrophobicContact CB-CB 4.25Å; D154-L175 HydrophobicContact CB-CD1 3.89Å; D154-T192 PolarHBondContact OD1-N 3.3Å; D154-T192 PolarHBondContact OD1-OG1 3.43Å
155M97.8Very high96.2Very high3 Ų332.8 Ų32.82%0.01516%0.157CC..  trans-66.4124.8172.8-70.6-54.8-63.100110.2L138 L142 H152 V160 L170 Y195 D212 I219L138-M155 HydrophobicContact CD1-CE 4.21Å; L138-M155 HydrophobicContact CD2-CE 4.47Å; L138-M155 HydrophobicContact CG-CE 4.42Å; L142-M155 HydrophobicContact CD1-CE 4.35Å; L142-M155 HydrophobicContact CD2-CE 4.31Å; L142-M155 HydrophobicContact CD2-SD 3.89Å; H152-M155 HydrophobicContact CB-CG 4.41Å; H152-M155 HydrophobicContact CB-SD 4.15Å; M155-V160 HydrophobicContact CE-CG2 4.39Å; M155-L170 HydrophobicContact CE-CD2 3.88Å; M155-L170 HydrophobicContact SD-CD2 4.24Å; M155-Y195 WeakPolarHBondContact O-CB 3.43Å; M155-Y195 VanDerWaalsContact O-CG 3.24Å; M155-D212 HydrophobicContact CG-CB 3.98Å; M155-I219 HydrophobicContact CE-CD1 3.89Å
156K96.6Very high96.1Very high27 Ų2733 Ų3312%0.11716%0.158CC..  trans-162.9158.6172.561.6-167.9-174.1-136.90109.5D154 A158 N159 Y195D154-K156 PolarHBondContact O-N 3.5Å; D154-K156 IonicContact OD1-NZ 2.64Å; D154-K156 IonicContact OD2-NZ 3.66Å; D154-K156 PolarHBondContact OD2-NZ 3.05Å; K156-A158 HydrophobicContact CG-CB 4.32Å; K156-A158 PolarHBondContact O-N 2.86Å; K156-N159 VanDerWaalsContact CE-CG 3.5Å; K156-N159 VanDerWaalsContact CE-ND2 3.33Å; K156-N159 WeakPolarHBondContact CE-ND2 3.36Å; K156-N159 WeakPolarHBondContact CE-OD1 3.45Å; K156-N159 HydrophobicContact CG-CB 3.94Å; K156-N159 PolarHBondContact O-N 2.95Å; K156-Y195 HydrophobicContact CB-CD1 4.35Å; K156-Y195 HydrophobicContact CB-CD2 3.54Å; K156-Y195 HydrophobicContact CB-CE1 4.23Å; K156-Y195 HydrophobicContact CB-CE2 3.37Å; K156-Y195 HydrophobicContact CB-CG 4.04Å
157A96.8Very high96Very high0 Ų034.7 Ų34.70%017%0.168CC..G310 helixtrans-57.5-35.5-177.800000112.9L115 A116 N159 V160L115-A157 HydrophobicContact CB-CB 4.33Å; L115-A157 WeakPolarHBondContact CB-O 3.37Å; L115-A157 HydrophobicContact CG-CB 4.5Å; L115-A157 PolarHBondContact N-O 3.49Å; A116-A157 HydrophobicContact CB-CB 3.84Å; A116-A157 PolarHBondContact N-O 3.41Å; A157-N159 VanDerWaalsContact C-N 3.25Å; A157-N159 PolarHBondContact O-N 3.35Å; A157-V160 PolarHBondContact O-N 3.44Å; A157-V160 VanDerWaalsContact O-N 3.14Å
158A94.8Very high96.1Very high23 Ų2330.2 Ų30.219%0.1915%0.146CC..G310 helixtrans-66.1-22176.700000114.6A116 K156 E338A116-A158 HydrophobicContact CB-CB 4.16Å; K156-A158 HydrophobicContact CG-CB 4.32Å; K156-A158 PolarHBondContact O-N 2.86Å; A158-E338 WeakPolarHBondContact CB-OE2 3.4Å
159N96.2Very high96.1Very high15 Ų1526.9 Ų26.98%0.0813%0.13CC..G310 helixtrans-94.35.3177.3-74.2-4.8000112.5D154 K156 A157 A171D154-N159 PolarHBondContact O-ND2 3.46Å; D154-N159 PolarHBondContact OD2-ND2 3.45Å; K156-N159 VanDerWaalsContact CE-CG 3.5Å; K156-N159 VanDerWaalsContact CE-ND2 3.33Å; K156-N159 WeakPolarHBondContact CE-ND2 3.36Å; K156-N159 WeakPolarHBondContact CE-OD1 3.45Å; K156-N159 HydrophobicContact CG-CB 3.94Å; K156-N159 PolarHBondContact O-N 2.95Å; A157-N159 VanDerWaalsContact C-N 3.25Å; A157-N159 PolarHBondContact O-N 3.35Å; N159-A171 PolarHBondContact O-N 3.43Å
160V97.9Very high96.2Very high1 Ų122 Ų221%0.00611%0.109CC..EExtended strand (participates in β ladder)trans-105102.9173.5179.60000107.8D114 L115 L138 M155 A157 L168 I219D114-V160 CarbonylContact C-O 3.25Å; D114-V160 WeakPolarHBondContact CA-O 3.5Å; L115-V160 HydrophobicContact CB-CB 3.97Å; L115-V160 HydrophobicContact CB-CG1 4.14Å; L115-V160 HydrophobicContact CD2-CB 4.27Å; L115-V160 HydrophobicContact CD2-CG1 4.08Å; L115-V160 PolarHBondContact N-O 2.84Å; L138-V160 HydrophobicContact CD1-CG1 4.28Å; L138-V160 HydrophobicContact CD1-CG2 3.77Å; M155-V160 HydrophobicContact CE-CG2 4.39Å; A157-V160 PolarHBondContact O-N 3.44Å; A157-V160 VanDerWaalsContact O-N 3.14Å; V160-L168 HydrophobicContact CG1-CD1 3.41Å; V160-L168 VanDerWaalsContact CG1-CD1 3.41Å; V160-L168 HydrophobicContact CG1-CD2 4.07Å; V160-L168 HydrophobicContact CG1-CG 3.62Å; V160-I219 HydrophobicContact CG2-CD1 4.01Å
161L97.1Very high96.2Very high31 Ų3121.9 Ų21.916%0.16211%0.109CC..EExtended strand (participates in β ladder)trans-91153.4-178.2-55.3-176.6000111.4C111 H113 D114 L168 K169 A171C111-L161 HydrophobicContact CB-CB 3.67Å; C111-L161 HydrophobicContact CB-CD1 4.12Å; C111-L161 HydrophobicContact CB-CG 4.45Å; H113-L161 CarbonylContact O-C 3.51Å; H113-L161 WeakPolarHBondContact O-CA 3.48Å; D114-L161 HydrophobicContact CB-CD2 3.75Å; L161-L168 CarbonylContact O-C 3.44Å; L161-L168 VanDerWaalsContact O-CA 3.24Å; L161-L168 WeakPolarHBondContact O-CA 3.14Å; L161-K169 HydrophobicContact CB-CB 4.42Å; L161-K169 PolarHBondContact N-O 3.29Å; L161-K169 PolarHBondContact O-N 3.47Å; L161-A171 HydrophobicContact CD1-CB 3.46Å; L161-A171 VanDerWaalsContact CD1-CB 3.46Å; L161-A171 HydrophobicContact CG-CB 3.61Å
162L96.4Very high96Very high0 Ų023.4 Ų23.40%012%0.117CC..EExtended strand (participates in β ladder)trans-131.7126.6175.2-82.8152000109.9E112 H113 L115 L118 L168 L325 L329E112-L162 PolarHBondContact N-O 2.97Å; H113-L162 HydrophobicContact CB-CB 4.32Å; H113-L162 PolarHBondContact N-O 2.81Å; H113-L162 PolarHBondContact O-N 2.89Å; L115-L162 HydrophobicContact CD1-CD1 4.1Å; L118-L162 HydrophobicContact CD1-CB 4.41Å; L118-L162 HydrophobicContact CD1-CD1 3.38Å; L162-L168 HydrophobicContact CD2-CB 4.01Å; L162-L325 HydrophobicContact CD2-CD1 3.49Å; L162-L325 VanDerWaalsContact CD2-CD1 3.49Å; L162-L329 HydrophobicContact CB-CD1 4.49Å; L162-L329 HydrophobicContact CD2-CD1 4.39Å
163T93.6Very high95.9Very high22 Ų2223.4 Ų23.414%0.13512%0.117CC..  trans-74.7158.8169.965.30000110.4C111 E112 N165 G166 I167 L329C111-T163 HydrophobicContact CB-CG2 4.45Å; E112-T163 VanDerWaalsContact OE2-CA 3.32Å; E112-T163 WeakPolarHBondContact OE2-CA 3.37Å; T163-N165 PolarHBondContact O-N 3Å; T163-G166 PolarHBondContact O-N 3.2Å; T163-I167 HydrophobicContact CG2-CB 4.39Å; T163-I167 PolarHBondContact N-O 2.94Å; T163-I167 WeakPolarHBondContact OG1-CB 3.44Å; T163-I167 PolarHBondContact OG1-N 3.01Å; T163-I167 PolarHBondContact OG1-O 3.49Å; T163-I167 VanDerWaalsContact OG1-O 3.13Å; T163-L329 WeakPolarHBondContact O-CD1 3.44Å
164R89.5Confident95.6Very high133 Ų13323.2 Ų23.250%0.50212%0.117SC..THydrogen-bonded Turntrans-53.3-28.3173.3178.5-178.3-68.3-146.8-8.2113.2E112 G166E112-R164 VanDerWaalsContact CD-CB 3.48Å; E112-R164 HydrophobicContact CG-CB 4.06Å; E112-R164 WeakPolarHBondContact OE1-CB 3.33Å; E112-R164 IonicContact OE1-NE 3.86Å; E112-R164 PolarHBondContact OE2-N 2.8Å; R164-G166 VanDerWaalsContact C-N 3.29Å
165N92.1Very high95.4Very high100 Ų10023.9 Ų23.954%0.53512%0.121SC..THydrogen-bonded Turntrans-850.7-179.6-67.9-28.8000113.7T163T163-N165 PolarHBondContact O-N 3Å
166G95.1Very high95.3Very high3 Ų323.7 Ų23.73%0.03112%0.12CC..SBendtrans83.418.9-18000000115Q137 T163 R164Q137-G166 PolarHBondContact NE2-O 2.93Å; T163-G166 PolarHBondContact O-N 3.2Å; R164-G166 VanDerWaalsContact C-N 3.29Å
167I97.3Very high95.2Very high55 Ų5524.9 Ų24.928%0.28212%0.123SC..  trans-91.2120.9171-51.1-56.3000108.8Q81 T163Q81-I167 HydrophobicContact CG-CG2 3.74Å; T163-I167 HydrophobicContact CG2-CB 4.39Å; T163-I167 PolarHBondContact N-O 2.94Å; T163-I167 WeakPolarHBondContact OG1-CB 3.44Å; T163-I167 PolarHBondContact OG1-N 3.01Å; T163-I167 PolarHBondContact OG1-O 3.49Å; T163-I167 VanDerWaalsContact OG1-O 3.13Å
168L98.1Very high95Very high0 Ų027.5 Ų27.50%014%0.141CC..EExtended strand (participates in β ladder)trans-79.8141.6174.7179.3154.3000110N82 V134 Q137 L138 V160 L161 L162 L170N82-L168 VanDerWaalsContact CA-O 3.23Å; N82-L168 WeakPolarHBondContact CA-O 3.47Å; N82-L168 PolarHBondContact ND2-O 3.17Å; V134-L168 HydrophobicContact CG1-CD1 3.97Å; V134-L168 WeakPolarHBondContact O-CD1 3.46Å; Q137-L168 HydrophobicContact CB-CB 3.85Å; Q137-L168 HydrophobicContact CB-CD1 4.46Å; L138-L168 HydrophobicContact CB-CD1 3.96Å; L138-L168 HydrophobicContact CB-CD2 4.28Å; V160-L168 HydrophobicContact CG1-CD1 3.41Å; V160-L168 VanDerWaalsContact CG1-CD1 3.41Å; V160-L168 HydrophobicContact CG1-CD2 4.07Å; V160-L168 HydrophobicContact CG1-CG 3.62Å; L161-L168 CarbonylContact O-C 3.44Å; L161-L168 VanDerWaalsContact O-CA 3.24Å; L161-L168 WeakPolarHBondContact O-CA 3.14Å; L162-L168 HydrophobicContact CD2-CB 4.01Å; L168-L170 HydrophobicContact CD2-CD2 4.49Å
169K98.3Very high94.8Very high27 Ų2728.6 Ų28.612%0.11714%0.143CC..EExtended strand (participates in β ladder)trans-133.2124.7174.3-69.3-173.8167.5-64.80111Q81 V83 L161Q81-K169 PolarHBondContact O-NZ 3.34Å; V83-K169 PolarHBondContact O-NZ 3.15Å; L161-K169 HydrophobicContact CB-CB 4.42Å; L161-K169 PolarHBondContact N-O 3.29Å; L161-K169 PolarHBondContact O-N 3.47Å
170L98.5Very high94.2Very high0 Ų031.8 Ų31.80%016%0.16CC..EExtended strand (participates in β ladder)trans-64.7132.5165-62.6179.1000109.3N82 T84 L138 G141 L142 I145 M155 L168 F173N82-L170 PolarHBondContact O-N 3.43Å; T84-L170 WeakPolarHBondContact CB-O 3.28Å; T84-L170 PolarHBondContact N-O 2.99Å; L138-L170 HydrophobicContact CG-CD2 4.44Å; G141-L170 VanDerWaalsContact C-CD1 3.47Å; L142-L170 HydrophobicContact CD2-CD1 3.94Å; L142-L170 HydrophobicContact CG-CD1 4.2Å; I145-L170 HydrophobicContact CD1-CD1 4.21Å; M155-L170 HydrophobicContact CE-CD2 3.88Å; M155-L170 HydrophobicContact SD-CD2 4.24Å; L168-L170 HydrophobicContact CD2-CD2 4.49Å; L170-F173 HydrophobicContact CB-CE2 4.36Å; L170-F173 HydrophobicContact CB-CZ 4.32Å
171A96.1Very high93Very high9 Ų941.8 Ų41.87%0.07420%0.203CC..  trans-135.8168.7-176.200000112.5T84 H152 N159 L161T84-A171 HydrophobicContact CG2-CB 4.37Å; H152-A171 PolarHBondContact CE1-O 3.39Å; H152-A171 PolarHBondContact NE2-O 2.95Å; N159-A171 PolarHBondContact O-N 3.43Å; L161-A171 HydrophobicContact CD1-CB 3.46Å; L161-A171 VanDerWaalsContact CD1-CB 3.46Å; L161-A171 HydrophobicContact CG-CB 3.61Å
172D92.9Very high91.7Very high32 Ų3247.5 Ų47.517%0.17123%0.229CC..  trans61.972-178.1-158.37.6000114.6K53 G174K53-D172 IonicContact NZ-OD1 3.67Å; K53-D172 PolarHBondContact NZ-OD1 2.7Å; D172-G174 PolarHBondContact O-N 3.02Å; D172-G174 PolarHBondContact OD1-N 2.95Å
173F94.9Very high90.2Very high1 Ų156 Ų560%0.00427%0.268CS..G310 helixtrans-83.416.5174.8-73.2-103.5000112.3E71 I74 L75 L78 V83 T84 I145 I150 H152 L170 L175 A176E71-F173 HydrophobicContact CG-CB 4.2Å; E71-F173 PolarHBondContact OE1-N 3.47Å; I74-F173 HydrophobicContact CG2-CD1 3.93Å; L75-F173 HydrophobicContact CD2-CB 4.32Å; L75-F173 HydrophobicContact CD2-CD2 3.71Å; L75-F173 HydrophobicContact CD2-CE2 4.24Å; L75-F173 HydrophobicContact CD2-CG 4.06Å; L75-F173 HydrophobicContact CG-CB 4.26Å; L75-F173 HydrophobicContact CG-CG 4.48Å; L78-F173 HydrophobicContact CD1-CD1 3.84Å; L78-F173 HydrophobicContact CD1-CE1 3.34Å; L78-F173 HydrophobicContact CD1-CZ 3.89Å; V83-F173 HydrophobicContact CG1-CE2 3.78Å; V83-F173 HydrophobicContact CG1-CZ 3.69Å; T84-F173 HydrophobicContact CG2-CD2 4.36Å; T84-F173 HydrophobicContact CG2-CE2 4.38Å; I145-F173 HydrophobicContact CD1-CE1 4.34Å; I145-F173 HydrophobicContact CG2-CE1 4.12Å; I145-F173 HydrophobicContact CG2-CZ 4.16Å; I150-F173 HydrophobicContact CG2-CE1 4.48Å; H152-F173 AromaticContact CD2-CE1 3.79Å; H152-F173 AromaticContact CD2-CZ 3.8Å; L170-F173 HydrophobicContact CB-CE2 4.36Å; L170-F173 HydrophobicContact CB-CZ 4.32Å; F173-L175 PolarHBondContact O-N 3.01Å; F173-A176 HydrophobicContact CB-CB 3.86Å; F173-A176 HydrophobicContact CD1-CB 3.65Å; F173-A176 HydrophobicContact CG-CB 4.21Å; F173-A176 WeakPolarHBondContact O-CB 3.49Å; F173-A176 PolarHBondContact O-N 3.36Å
174G91.9Very high89Confident2 Ų256.6 Ų56.62%0.02127%0.27CS..G310 helixtrans-60.8-27.4179.900000113.4E71 D172E71-G174 PolarHBondContact OE1-N 3.37Å; E71-G174 WeakPolarHBondContact OE2-CA 3.28Å; D172-G174 PolarHBondContact O-N 3.02Å; D172-G174 PolarHBondContact OD1-N 2.95Å
175L92.5Very high88.7Confident17 Ų1760.3 Ų60.39%0.08928%0.284CS..G310 helixtrans-99.80.5172.2-71.8177.6000113.8F35 H152 R153 D154 F173 L356F35-L175 HydrophobicContact CE2-CD1 4.47Å; F35-L175 HydrophobicContact CE2-CD2 4.26Å; F35-L175 HydrophobicContact CE2-CG 3.78Å; F35-L175 HydrophobicContact CZ-CD2 3.57Å; F35-L175 HydrophobicContact CZ-CG 3.61Å; H152-L175 CarbonylContact O-C 3.6Å; R153-L175 PolarHBondContact NE-O 3.08Å; R153-L175 PolarHBondContact NH2-O 3.23Å; D154-L175 HydrophobicContact CB-CB 4.25Å; D154-L175 HydrophobicContact CB-CD1 3.89Å; F173-L175 PolarHBondContact O-N 3.01Å; L175-L356 HydrophobicContact CD2-CD1 3.48Å; L175-L356 VanDerWaalsContact CD2-CD1 3.48Å
176A94.8Very high88.5Confident0 Ų056.4 Ų56.40%026%0.262CS..  trans-66.8153.9-176.600000112.6R70 I74 I150 L151 H152 F173R70-A176 WeakPolarHBondContact CD-O 3.32Å; I74-A176 HydrophobicContact CD1-CB 3.72Å; I150-A176 HydrophobicContact CG2-CB 4.12Å; L151-A176 WeakPolarHBondContact O-CA 3.32Å; L151-A176 WeakPolarHBondContact O-CB 3.44Å; H152-A176 WeakPolarHBondContact O-CA 3.27Å; H152-A176 PolarHBondContact O-N 2.83Å; F173-A176 HydrophobicContact CB-CB 3.86Å; F173-A176 HydrophobicContact CD1-CB 3.65Å; F173-A176 HydrophobicContact CG-CB 4.21Å; F173-A176 WeakPolarHBondContact O-CB 3.49Å; F173-A176 PolarHBondContact O-N 3.36Å
177R93.6Very high88.2Confident51 Ų5159 Ų5919%0.19228%0.277CS..EExtended strand (participates in β ladder)trans-143.7148.2175.9-92.1-83.3-159.4-171.90.2110.9R70 L151 D366R70-R177 VanDerWaalsContact CZ-NE 3.29Å; R70-R177 VanDerWaalsContact NH1-NE 3.2Å; R70-R177 VanDerWaalsContact NH2-NH2 3.1Å; L151-R177 PolarHBondContact N-O 3.09Å; L151-R177 PolarHBondContact O-N 3.02Å; L151-R177 VanDerWaalsContact O-N 3.08Å; R177-D366 IonicContact CZ-OD1 3.92Å; R177-D366 IonicContact NH1-OD1 3.49Å; R177-D366 PolarHBondContact NH1-OD1 2.68Å; R177-D366 IonicContact NH2-OD1 2.7Å; R177-D366 PolarHBondContact NH2-OD1 2.84Å; R177-D366 IonicContact NH2-OD2 3.82Å; R177-D366 PolarHBondContact NH2-OD2 3.5Å; R177-D366 VanDerWaalsContact NH2-OD2 3.09Å
178P93.5Very high88Confident56 Ų5657.8 Ų57.836%0.36427%0.271SS..EExtended strand (participates in β ladder)trans-60.6136.7164.5-20.833.6000111.5K149 I150 L180K149-P178 CarbonylContact O-C 3.54Å; K149-P178 VanDerWaalsContact O-CA 3.28Å; K149-P178 WeakPolarHBondContact O-CA 2.98Å; I150-P178 HydrophobicContact CD1-CB 4.4Å; I150-P178 HydrophobicContact CD1-CG 4.35Å; P178-L180 PolarHBondContact O-N 3.4Å
179L90.3Very high87.7Confident46 Ų4662.8 Ų62.824%0.24129%0.29CS..  trans-76.7114.2167.8-17672000108.2K149 L151 T209K149-L179 HydrophobicContact CB-CB 4.2Å; K149-L179 HydrophobicContact CD-CD2 4.33Å; K149-L179 PolarHBondContact O-N 2.7Å; L151-L179 HydrophobicContact CD1-CD1 4.01Å; L151-L179 HydrophobicContact CD2-CD1 4.2Å; L151-L179 HydrophobicContact CG-CB 4.41Å; L151-L179 HydrophobicContact CG-CD1 4.18Å; L179-T209 HydrophobicContact CD2-CG2 4.2Å
180L84.4Confident87.4Confident82 Ų8261.6 Ų61.643%0.42929%0.285SS..  trans-92.2147.8178.1-56.1172.2000110P178 H184 Y186P178-L180 PolarHBondContact O-N 3.4Å; L180-H184 WeakPolarHBondContact CB-CD2 3.37Å; L180-H184 HydrophobicContact CD1-CB 3.96Å; L180-H184 VanDerWaalsContact CD1-CD2 3.42Å; L180-H184 WeakPolarHBondContact CD1-CD2 3.23Å; L180-Y186 WeakPolarHBondContact CB-OH 3.41Å; L180-Y186 HydrophobicContact CD1-CE1 4.09Å; L180-Y186 HydrophobicContact CG-CE1 4.26Å; L180-Y186 PolarHBondContact N-OH 3.43Å
181K73.2Confident87.1Confident210 Ų21061.9 Ų61.991%0.91329%0.287SS*.SBendtrans-82-19.9-174.7-72.9-173.4178.2-177.60114.6
182Q69.4Low87Confident151 Ų15162.6 Ų62.671%0.70629%0.29SS*.SBendtrans-101.2165.6-177-67176.9-21.700110.8H184Q182-H184 PolarHBondContact O-CD2 2.82Å; Q182-H184 PolarHBondContact O-N 2.7Å
183E64.7Low87.2Confident178 Ų17861.8 Ų61.883%0.83229%0.286SS*.  trans-59.496.3173.1-68.4-175174.200109.8
184H68.9Low87.3Confident36 Ų3662.7 Ų62.717%0.16729%0.289CS..  trans-116.1129.1177.8-69.3-69.5000109L180 Q182 Y186 N206 Y364L180-H184 WeakPolarHBondContact CB-CD2 3.37Å; L180-H184 HydrophobicContact CD1-CB 3.96Å; L180-H184 VanDerWaalsContact CD1-CD2 3.42Å; L180-H184 WeakPolarHBondContact CD1-CD2 3.23Å; Q182-H184 PolarHBondContact O-CD2 2.82Å; Q182-H184 PolarHBondContact O-N 2.7Å; H184-Y186 VanDerWaalsContact C-N 3.31Å; H184-Y186 PolarHBondContact O-N 2.86Å; H184-N206 PolarHBondContact O-OD1 3.32Å; H184-Y364 PolarHBondContact ND1-OH 2.73Å
185R82Confident87.7Confident211 Ų21163.2 Ų63.280%0.79629%0.29SS*.  trans-73.185.5173.7-69.8-178.5174.7-174.7-2.2110.1R205R185-R205 HydrophobicContact CB-CB 4.31Å; R185-R205 HydrophobicContact CG-CB 4.46Å
186Y87.3Confident87.9Confident18 Ų1863 Ų637%0.07129%0.288CS..  trans-62.3157.7170.1-60.8-61.4000110.9L180 H184 N188 R205 Y207L180-Y186 WeakPolarHBondContact CB-OH 3.41Å; L180-Y186 HydrophobicContact CD1-CE1 4.09Å; L180-Y186 HydrophobicContact CG-CE1 4.26Å; L180-Y186 PolarHBondContact N-OH 3.43Å; H184-Y186 VanDerWaalsContact C-N 3.31Å; H184-Y186 PolarHBondContact O-N 2.86Å; Y186-N188 PolarHBondContact O-N 3.22Å; Y186-N188 VanDerWaalsContact O-N 3.13Å; Y186-R205 WeakPolarHBondContact CB-O 3.36Å; Y186-R205 VanDerWaalsContact CD2-O 3.28Å; Y186-R205 WeakPolarHBondContact CD2-O 3.23Å; Y186-R205 PolarHBondContact N-O 2.82Å; Y186-Y207 VanDerWaalsContact CB-CE1 3.47Å; Y186-Y207 WeakPolarHBondContact CB-OH 3.36Å; Y186-Y207 HydrophobicContact CD2-CD1 4.37Å; Y186-Y207 HydrophobicContact CD2-CD2 4.18Å; Y186-Y207 HydrophobicContact CD2-CE1 4.21Å; Y186-Y207 AromaticContact CD2-CE2 3.98Å; Y186-Y207 HydrophobicContact CD2-CE2 3.98Å; Y186-Y207 HydrophobicContact CD2-CG 4.4Å; Y186-Y207 HydrophobicContact CG-CE1 4.25Å; Y186-Y207 HydrophobicContact CG-CE2 4.19Å; Y186-Y207 AromaticContact CG-CZ 3.92Å
187T89.4Confident88.1Confident57 Ų5763 Ų6335%0.3529%0.288SS..  trans-60.3115.5166.2-470000109.1V190 Y207 L356T187-V190 HydrophobicContact CG2-CG1 4.37Å; T187-V190 WeakPolarHBondContact O-CG1 3.38Å; T187-Y207 WeakPolarHBondContact O-CE1 3.32Å; T187-Y207 PolarHBondContact O-OH 3.36Å; T187-L356 HydrophobicContact CG2-CD2 4.07Å
188N92.6Very high88.3Confident29 Ų2960.5 Ų60.516%0.15528%0.279CS..SBendtrans-71.8-42.7-178.4164.3-89.8000113.3Y186 V190 L200 G203 D204 R205Y186-N188 PolarHBondContact O-N 3.22Å; Y186-N188 VanDerWaalsContact O-N 3.13Å; N188-V190 PolarHBondContact O-N 3.34Å; N188-L200 PolarHBondContact ND2-O 3Å; N188-L200 PolarHBondContact OD1-O 3.04Å; N188-G203 WeakPolarHBondContact ND2-CA 3.35Å; N188-D204 PolarHBondContact ND2-N 3.26Å; N188-D204 PolarHBondContact ND2-O 3.4Å; N188-R205 HydrophobicContact CB-CG 4.05Å
189R92.2Very high88.6Confident106 Ų10657.9 Ų57.940%0.426%0.262SS..SBendtrans-76.560.7-172.9-162.6175.8-178.91732.7113E235 Q354 L356R189-E235 IonicContact NE-OE1 3.39Å; R189-Q354 VanDerWaalsContact NH2-CD 3.27Å; R189-L356 HydrophobicContact CB-CD2 4.47Å; R189-L356 WeakPolarHBondContact O-CD2 3.37Å
190V91.6Very high88.9Confident2 Ų255.8 Ų55.81%0.01225%0.251CS..  trans-114.8175.2177.5-63.80000110R153 T187 N188 R196 L200R153-V190 HydrophobicContact CB-CB 4.26Å; R153-V190 HydrophobicContact CB-CG2 4.2Å; T187-V190 HydrophobicContact CG2-CG1 4.37Å; T187-V190 WeakPolarHBondContact O-CG1 3.38Å; N188-V190 PolarHBondContact O-N 3.34Å; V190-R196 PolarHBondContact O-NE 3.22Å; V190-R196 PolarHBondContact O-NH2 3.27Å; V190-L200 HydrophobicContact CG2-CD1 3.7Å
191V93.1Very high89.6Confident6 Ų652 Ų524%0.03623%0.231CC..SBendtrans65.5135.6-174.3-170.60000113.1R153 L193 Y195 R196 L200R153-V191 WeakPolarHBondContact O-CA 3.19Å; R153-V191 WeakPolarHBondContact O-CG2 3.21Å; R153-V191 PolarHBondContact O-N 2.8Å; V191-L193 PolarHBondContact O-N 2.91Å; V191-Y195 WeakPolarHBondContact CG1-O 3.49Å; V191-R196 HydrophobicContact CB-CB 4.36Å; V191-R196 HydrophobicContact CB-CG 4.38Å; V191-R196 HydrophobicContact CG1-CB 4.32Å; V191-R196 PolarHBondContact O-NE 2.96Å; V191-R196 PolarHBondContact O-NH2 2.86Å; V191-L200 HydrophobicContact CB-CD1 4.39Å; V191-L200 HydrophobicContact CG2-CD1 3.82Å
192T93.7Very high90.7Very high23 Ų2342 Ų4214%0.14119%0.188CC..  trans-58134.2170.9-61.50000110.6D154 W194 Y195 R196D154-T192 PolarHBondContact OD1-N 3.3Å; D154-T192 PolarHBondContact OD1-OG1 3.43Å; T192-W194 VanDerWaalsContact C-N 3.32Å; T192-W194 PolarHBondContact O-N 3.41Å; T192-W194 VanDerWaalsContact O-N 3.09Å; T192-Y195 HydrophobicContact CG2-CD2 4.33Å; T192-Y195 CarbonylContact O-C 3.42Å; T192-Y195 WeakPolarHBondContact O-CA 3.36Å; T192-Y195 PolarHBondContact O-N 2.93Å; T192-R196 PolarHBondContact O-N 3.26Å; T192-R196 VanDerWaalsContact O-N 3.14Å
193L97Very high92Very high15 Ų1535.1 Ų35.18%0.07916%0.157CC..G310 helixtrans-50-43.6-165.9-178.559.9000114.9V191 Y195 R196 L201 G232 E235 Q238 P351V191-L193 PolarHBondContact O-N 2.91Å; L193-Y195 PolarHBondContact O-N 3.49Å; L193-R196 WeakPolarHBondContact O-CB 3.36Å; L193-R196 PolarHBondContact O-N 2.93Å; L193-R196 VanDerWaalsContact O-N 3.09Å; L193-L201 HydrophobicContact CD1-CD2 3.93Å; L193-G232 WeakPolarHBondContact CD2-O 3.43Å; L193-E235 HydrophobicContact CD1-CG 3.99Å; L193-Q238 HydrophobicContact CD1-CB 3.79Å; L193-Q238 HydrophobicContact CD1-CG 3.98Å; L193-Q238 HydrophobicContact CG-CB 4.19Å; L193-Q238 HydrophobicContact CG-CG 4.3Å; L193-Q238 VanDerWaalsContact O-CD 3.29Å; L193-Q238 WeakPolarHBondContact O-CG 3.09Å; L193-P351 HydrophobicContact CB-CG 4.43Å
194W98.1Very high93.4Very high20 Ų2027.9 Ų27.98%0.07612%0.124CC..G310 helixtrans-66.3-20.6-178.3-59.9-13.2000114.1T192 P228 M230 Q231 G232 Q238 A348 P350 P351T192-W194 VanDerWaalsContact C-N 3.32Å; T192-W194 PolarHBondContact O-N 3.41Å; T192-W194 VanDerWaalsContact O-N 3.09Å; W194-P228 HydrophobicContact CD2-CB 4.48Å; W194-P228 HydrophobicContact CE3-CB 3.81Å; W194-P228 HydrophobicContact CE3-CG 3.7Å; W194-P228 HydrophobicContact CZ3-CB 4.34Å; W194-P228 HydrophobicContact CZ3-CG 3.89Å; W194-M230 WeakPolarHBondContact CA-O 3.3Å; W194-Q231 HydrophobicContact CD2-CB 4.26Å; W194-Q231 HydrophobicContact CD2-CG 3.93Å; W194-Q231 HydrophobicContact CE3-CG 4.12Å; W194-Q231 HydrophobicContact CG-CG 4.47Å; W194-Q231 HydrophobicContact CH2-CG 4.11Å; W194-Q231 HydrophobicContact CZ2-CB 3.92Å; W194-Q231 HydrophobicContact CZ2-CG 3.94Å; W194-Q231 HydrophobicContact CZ3-CG 4.22Å; W194-G232 PolarHBondContact NE1-O 2.92Å; W194-Q238 PolarHBondContact O-NE2 3.18Å; W194-A348 HydrophobicContact CZ2-CB 4.26Å; W194-P350 HydrophobicContact CH2-CB 4.18Å; W194-P350 HydrophobicContact CZ3-CB 4.25Å; W194-P351 HydrophobicContact CD2-CG 4.26Å; W194-P351 HydrophobicContact CG-CG 4.45Å; W194-P351 HydrophobicContact CZ2-CG 4.35Å
195Y98.5Very high94.6Very high13 Ų1331 Ų315%0.05114%0.135CC..G310 helixtrans-107.83.3178.1-58.9-89.9000111.8M155 K156 V191 T192 L193 W214 C218 I219 E222M155-Y195 WeakPolarHBondContact O-CB 3.43Å; M155-Y195 VanDerWaalsContact O-CG 3.24Å; K156-Y195 HydrophobicContact CB-CD1 4.35Å; K156-Y195 HydrophobicContact CB-CD2 3.54Å; K156-Y195 HydrophobicContact CB-CE1 4.23Å; K156-Y195 HydrophobicContact CB-CE2 3.37Å; K156-Y195 HydrophobicContact CB-CG 4.04Å; V191-Y195 WeakPolarHBondContact CG1-O 3.49Å; T192-Y195 HydrophobicContact CG2-CD2 4.33Å; T192-Y195 CarbonylContact O-C 3.42Å; T192-Y195 WeakPolarHBondContact O-CA 3.36Å; T192-Y195 PolarHBondContact O-N 2.93Å; L193-Y195 PolarHBondContact O-N 3.49Å; Y195-W214 VanDerWaalsContact O-CD1 3.25Å; Y195-C218 HydrophobicContact CD1-CB 3.71Å; Y195-C218 HydrophobicContact CE1-CB 4.07Å; Y195-I219 HydrophobicContact CD1-CG1 4.24Å; Y195-I219 HydrophobicContact CE1-CG1 3.78Å; Y195-E222 WeakPolarHBondContact CE1-OE1 3.34Å; Y195-E222 VanDerWaalsContact OH-CD 3.28Å; Y195-E222 PolarHBondContact OH-OE1 2.87Å; Y195-E222 PolarHBondContact OH-OE2 3.15Å
196R98.5Very high95.1Very high12 Ų1224.8 Ų24.85%0.04512%0.117CC..  trans-76.2125.2-175.4-169.2176.9-66.5160.31.8110V190 V191 T192 L193 L200 L201 W214 E235V190-R196 PolarHBondContact O-NE 3.22Å; V190-R196 PolarHBondContact O-NH2 3.27Å; V191-R196 HydrophobicContact CB-CB 4.36Å; V191-R196 HydrophobicContact CB-CG 4.38Å; V191-R196 HydrophobicContact CG1-CB 4.32Å; V191-R196 PolarHBondContact O-NE 2.96Å; V191-R196 PolarHBondContact O-NH2 2.86Å; T192-R196 PolarHBondContact O-N 3.26Å; T192-R196 VanDerWaalsContact O-N 3.14Å; L193-R196 WeakPolarHBondContact O-CB 3.36Å; L193-R196 PolarHBondContact O-N 2.93Å; L193-R196 VanDerWaalsContact O-N 3.09Å; R196-L200 HydrophobicContact CG-CB 3.7Å; R196-L200 HydrophobicContact CG-CD1 4.17Å; R196-L201 HydrophobicContact CB-CG 4.42Å; R196-L201 HydrophobicContact CG-CD2 4.27Å; R196-L201 HydrophobicContact CG-CG 4.02Å; R196-W214 PolarHBondContact O-NE1 3.38Å; R196-E235 IonicContact CZ-OE1 2.82Å; R196-E235 IonicContact NH1-OE1 2.71Å; R196-E235 PolarHBondContact NH1-OE1 3.48Å
197P98.5Very high95.5Very high0 Ų024 Ų240%011%0.114CC..  trans-72.1159.9178.834.3-41.2000112.3E199 L200 L201 I211 W214P197-E199 VanDerWaalsContact C-N 3.32Å; P197-E199 HydrophobicContact CB-CG 4.46Å; P197-E199 WeakPolarHBondContact CB-OE1 3.44Å; P197-E199 WeakPolarHBondContact CB-OE2 3.37Å; P197-E199 HydrophobicContact CG-CG 4.3Å; P197-E199 PolarHBondContact O-N 3.22Å; P197-L200 HydrophobicContact CG-CB 4.19Å; P197-L200 HydrophobicContact CG-CD1 3.94Å; P197-L200 HydrophobicContact CG-CG 3.82Å; P197-L200 PolarHBondContact O-N 2.84Å; P197-L201 PolarHBondContact O-N 3.42Å; P197-I211 HydrophobicContact CG-CB 3.82Å; P197-I211 HydrophobicContact CG-CG2 3.78Å; P197-W214 HydrophobicContact CB-CB 3.76Å; P197-W214 HydrophobicContact CB-CD2 3.93Å; P197-W214 HydrophobicContact CB-CG 3.51Å
198P98.3Very high95.7Very high0 Ų023.8 Ų23.80%011%0.113CC..Hα-helixtrans-63.1-33.4-17527.1-36000113.3L200 L201 L202 W214 I242 I249 W254 L299P198-L200 VanDerWaalsContact C-N 3.33Å; P198-L200 PolarHBondContact O-N 3.25Å; P198-L201 PolarHBondContact O-N 3.48Å; P198-L201 VanDerWaalsContact O-N 3.16Å; P198-L202 WeakPolarHBondContact O-CB 3.22Å; P198-L202 WeakPolarHBondContact O-CG 3.12Å; P198-L202 PolarHBondContact O-N 3.09Å; P198-W214 HydrophobicContact CG-CH2 4.29Å; P198-W214 HydrophobicContact CG-CZ3 4.21Å; P198-I242 HydrophobicContact CB-CG2 4.44Å; P198-I249 HydrophobicContact CB-CD1 4.05Å; P198-W254 HydrophobicContact CB-CZ3 4.01Å; P198-W254 HydrophobicContact CG-CZ3 4.07Å; P198-L299 HydrophobicContact CG-CD2 4.14Å
199E98Very high95.9Very high1 Ų124 Ų241%0.00512%0.115CC..Hα-helixtrans-60.2-40.4176.160.1-86.8-160.300113P197 L202 G203 D204 I211 W254 P301 R304P197-E199 VanDerWaalsContact C-N 3.32Å; P197-E199 HydrophobicContact CB-CG 4.46Å; P197-E199 WeakPolarHBondContact CB-OE1 3.44Å; P197-E199 WeakPolarHBondContact CB-OE2 3.37Å; P197-E199 HydrophobicContact CG-CG 4.3Å; P197-E199 PolarHBondContact O-N 3.22Å; E199-L202 PolarHBondContact O-N 3.14Å; E199-G203 PolarHBondContact O-N 3.36Å; E199-D204 HydrophobicContact CB-CB 3.96Å; E199-D204 WeakPolarHBondContact O-CB 3.17Å; E199-D204 PolarHBondContact O-N 2.97Å; E199-I211 HydrophobicContact CG-CG2 4.23Å; E199-I211 WeakPolarHBondContact OE1-CG2 3.35Å; E199-W254 HydrophobicContact CB-CH2 3.62Å; E199-W254 HydrophobicContact CB-CZ2 3.95Å; E199-P301 HydrophobicContact CB-CG 4.41Å; E199-P301 HydrophobicContact CG-CG 4.41Å; E199-R304 IonicContact OE1-CZ 2.8Å; E199-R304 IonicContact OE1-NH1 3.67Å; E199-R304 PolarHBondContact OE1-NH1 2.9Å; E199-R304 IonicContact OE1-NH2 2.87Å; E199-R304 PolarHBondContact OE1-NH2 3.09Å; E199-R304 IonicContact OE2-CZ 3.34Å; E199-R304 IonicContact OE2-NH1 2.83Å; E199-R304 IonicContact OE2-NH2 3.99Å; E199-R304 PolarHBondContact OE2-NH2 3.09Å
200L97.6Very high96.2Very high2 Ų219.4 Ų19.41%0.0110%0.1CC..Hα-helixtrans-69.9-39.5176-68.1-171.9000111N188 V190 V191 R196 P197 P198 L202 G203 Y207 I211N188-L200 PolarHBondContact ND2-O 3Å; N188-L200 PolarHBondContact OD1-O 3.04Å; V190-L200 HydrophobicContact CG2-CD1 3.7Å; V191-L200 HydrophobicContact CB-CD1 4.39Å; V191-L200 HydrophobicContact CG2-CD1 3.82Å; R196-L200 HydrophobicContact CG-CB 3.7Å; R196-L200 HydrophobicContact CG-CD1 4.17Å; P197-L200 HydrophobicContact CG-CB 4.19Å; P197-L200 HydrophobicContact CG-CD1 3.94Å; P197-L200 HydrophobicContact CG-CG 3.82Å; P197-L200 PolarHBondContact O-N 2.84Å; P198-L200 VanDerWaalsContact C-N 3.33Å; P198-L200 PolarHBondContact O-N 3.25Å; L200-L202 PolarHBondContact O-N 3Å; L200-G203 PolarHBondContact O-N 2.95Å; L200-Y207 HydrophobicContact CD2-CD1 3.2Å; L200-Y207 HydrophobicContact CD2-CD2 4.46Å; L200-Y207 HydrophobicContact CD2-CE1 3.59Å; L200-Y207 HydrophobicContact CD2-CG 3.67Å; L200-I211 HydrophobicContact CD1-CD1 4.45Å; L200-I211 HydrophobicContact CD1-CG2 4.32Å; L200-I211 HydrophobicContact CG-CG2 4.21Å
201L98Very high96.5Very high2 Ų219.3 Ų19.31%0.0110%0.099CC..Hα-helixtrans-66.8-23.3177.1-68.7164.2000113L193 R196 P197 P198 E235 Q238 L239 I242L193-L201 HydrophobicContact CD1-CD2 3.93Å; R196-L201 HydrophobicContact CB-CG 4.42Å; R196-L201 HydrophobicContact CG-CD2 4.27Å; R196-L201 HydrophobicContact CG-CG 4.02Å; P197-L201 PolarHBondContact O-N 3.42Å; P198-L201 PolarHBondContact O-N 3.48Å; P198-L201 VanDerWaalsContact O-N 3.16Å; L201-E235 HydrophobicContact CD2-CB 3.82Å; L201-E235 HydrophobicContact CD2-CG 3.9Å; L201-Q238 HydrophobicContact CD1-CB 4.08Å; L201-Q238 HydrophobicContact CD1-CG 3.64Å; L201-Q238 HydrophobicContact CD2-CB 4.32Å; L201-Q238 HydrophobicContact CD2-CG 4.43Å; L201-L239 HydrophobicContact CB-CD1 4.04Å; L201-L239 HydrophobicContact CB-CD2 3.7Å; L201-L239 HydrophobicContact CB-CG 3.73Å; L201-L239 HydrophobicContact CD1-CD2 4.06Å; L201-L239 HydrophobicContact CD1-CG 4.04Å; L201-L239 HydrophobicContact CG-CG 4.4Å; L201-I242 HydrophobicContact CD1-CD1 3.46Å; L201-I242 VanDerWaalsContact CD1-CD1 3.46Å
202L97.7Very high96.8Very high0 Ų019 Ų190%010%0.097CC..THydrogen-bonded Turntrans-96.39.6176.6-68173.8000113.5P198 E199 L200 L239 I249 W254 V257 L260 L262 L268P198-L202 WeakPolarHBondContact O-CB 3.22Å; P198-L202 WeakPolarHBondContact O-CG 3.12Å; P198-L202 PolarHBondContact O-N 3.09Å; E199-L202 PolarHBondContact O-N 3.14Å; L200-L202 PolarHBondContact O-N 3Å; L202-L239 HydrophobicContact CD2-CD1 4.05Å; L202-L239 HydrophobicContact CD2-CD2 4.34Å; L202-L239 HydrophobicContact CG-CD2 4.21Å; L202-I249 HydrophobicContact CD1-CD1 4.27Å; L202-I249 HydrophobicContact CD1-CG2 4.08Å; L202-W254 HydrophobicContact CD1-CH2 4.41Å; L202-W254 HydrophobicContact CD1-CZ3 4.01Å; L202-V257 HydrophobicContact CD1-CG2 3.73Å; L202-L260 HydrophobicContact CB-CB 4.13Å; L202-L260 HydrophobicContact CB-CD1 3.55Å; L202-L260 HydrophobicContact CD1-CD1 3.95Å; L202-L260 HydrophobicContact CG-CD1 4.42Å; L202-L262 WeakPolarHBondContact O-CB 3.37Å; L202-L262 PolarHBondContact O-N 3.11Å; L202-L262 VanDerWaalsContact O-N 3.08Å; L202-L268 HydrophobicContact CD2-CD1 4.33Å
203G95.9Very high97Very high6 Ų618 Ų186%0.0629%0.091CC..THydrogen-bonded Turntrans91.612.6169.300000115.4N188 E199 L200 R205N188-G203 WeakPolarHBondContact ND2-CA 3.35Å; E199-G203 PolarHBondContact O-N 3.36Å; L200-G203 PolarHBondContact O-N 2.95Å; G203-R205 PolarHBondContact O-N 3.49Å
204D94.9Very high97.1Very high27 Ų2717.3 Ų17.314%0.1449%0.087CC..  trans-60.1132.8178.3-171.811.8000111.6N188 E199 N206 Y207 L260N188-D204 PolarHBondContact ND2-N 3.26Å; N188-D204 PolarHBondContact ND2-O 3.4Å; E199-D204 HydrophobicContact CB-CB 3.96Å; E199-D204 WeakPolarHBondContact O-CB 3.17Å; E199-D204 PolarHBondContact O-N 2.97Å; D204-N206 PolarHBondContact OD1-N 3.36Å; D204-Y207 WeakPolarHBondContact OD2-CA 3.44Å; D204-Y207 PolarHBondContact OD2-N 3.46Å; D204-L260 HydrophobicContact CB-CD2 3.84Å
205R93.7Very high97.2Very high101 Ų10116.4 Ų16.438%0.3818%0.084SC..SBendtrans-114.3-6.3175.5-64.1-169.9-176.2-158.75.5113.1R185 Y186 N188 G203R185-R205 HydrophobicContact CB-CB 4.31Å; R185-R205 HydrophobicContact CG-CB 4.46Å; Y186-R205 WeakPolarHBondContact CB-O 3.36Å; Y186-R205 VanDerWaalsContact CD2-O 3.28Å; Y186-R205 WeakPolarHBondContact CD2-O 3.23Å; Y186-R205 PolarHBondContact N-O 2.82Å; N188-R205 HydrophobicContact CB-CG 4.05Å; G203-R205 PolarHBondContact O-N 3.49Å
206N93.4Very high97.2Very high80 Ų8015.8 Ų15.843%0.4288%0.082SC..SBendtrans-110.327.4179.7-65.8-38.4000111.5H184 D204H184-N206 PolarHBondContact O-OD1 3.32Å; D204-N206 PolarHBondContact OD1-N 3.36Å
207Y94.1Very high97.2Very high1 Ų115.2 Ų15.20%0.0048%0.08CC..  trans-61.3154-175.554-100.9000113.5L151 R153 Y186 T187 L200 D204 I211L151-Y207 HydrophobicContact CD1-CD2 3.97Å; L151-Y207 HydrophobicContact CD1-CE2 3.78Å; R153-Y207 WeakPolarHBondContact CD-OH 3.32Å; R153-Y207 PolarHBondContact NH1-OH 3.05Å; Y186-Y207 VanDerWaalsContact CB-CE1 3.47Å; Y186-Y207 WeakPolarHBondContact CB-OH 3.36Å; Y186-Y207 HydrophobicContact CD2-CD1 4.37Å; Y186-Y207 HydrophobicContact CD2-CD2 4.18Å; Y186-Y207 HydrophobicContact CD2-CE1 4.21Å; Y186-Y207 AromaticContact CD2-CE2 3.98Å; Y186-Y207 HydrophobicContact CD2-CE2 3.98Å; Y186-Y207 HydrophobicContact CD2-CG 4.4Å; Y186-Y207 HydrophobicContact CG-CE1 4.25Å; Y186-Y207 HydrophobicContact CG-CE2 4.19Å; Y186-Y207 AromaticContact CG-CZ 3.92Å; T187-Y207 WeakPolarHBondContact O-CE1 3.32Å; T187-Y207 PolarHBondContact O-OH 3.36Å; L200-Y207 HydrophobicContact CD2-CD1 3.2Å; L200-Y207 HydrophobicContact CD2-CD2 4.46Å; L200-Y207 HydrophobicContact CD2-CE1 3.59Å; L200-Y207 HydrophobicContact CD2-CG 3.67Å; D204-Y207 WeakPolarHBondContact OD2-CA 3.44Å; D204-Y207 PolarHBondContact OD2-N 3.46Å; Y207-I211 HydrophobicContact CD2-CD1 3.54Å; Y207-I211 HydrophobicContact CD2-CG1 4.48Å; Y207-I211 HydrophobicContact CD2-CG2 4.24Å; Y207-I211 HydrophobicContact CE2-CD1 3.66Å; Y207-I211 HydrophobicContact CG-CD1 4.42Å; Y207-I211 HydrophobicContact CG-CG2 4.26Å
208T94.7Very high97.2Very high54 Ų5415.2 Ų15.233%0.3318%0.08SC..  trans-108.5-171.2-173.8720000111.9A210 I211T208-A210 PolarHBondContact O-N 2.98Å; T208-A210 VanDerWaalsContact O-N 3.16Å; T208-A210 WeakPolarHBondContact OG1-CB 3.32Å; T208-A210 PolarHBondContact OG1-N 2.99Å; T208-I211 WeakPolarHBondContact O-CG1 3.44Å; T208-I211 PolarHBondContact O-N 2.86Å
209T97.1Very high97.2Very high34 Ų3415.2 Ų15.221%0.2098%0.08CC..THydrogen-bonded Turntrans-60.7-16.6171.9510000113.5H146 L151 L179 I211 D212H146-T209 HydrophobicContact CB-CG2 3.83Å; H146-T209 PolarHBondContact CE1-O 2.96Å; H146-T209 VanDerWaalsContact CG-CG2 3.49Å; L151-T209 VanDerWaalsContact CD2-CA 3.45Å; L151-T209 HydrophobicContact CD2-CG2 3.69Å; L179-T209 HydrophobicContact CD2-CG2 4.2Å; T209-I211 PolarHBondContact O-N 3.36Å; T209-I211 VanDerWaalsContact O-N 3.14Å; T209-D212 PolarHBondContact O-N 2.64Å; T209-D212 VanDerWaalsContact O-N 3.08Å
210A98.1Very high97.3Very high8 Ų815.2 Ų15.27%0.0668%0.08CC..Hα-helixtrans-58.8-24.6178.400000113.4T208 D212 I213 W214 P301 R304T208-A210 PolarHBondContact O-N 2.98Å; T208-A210 VanDerWaalsContact O-N 3.16Å; T208-A210 WeakPolarHBondContact OG1-CB 3.32Å; T208-A210 PolarHBondContact OG1-N 2.99Å; A210-D212 VanDerWaalsContact C-N 3.28Å; A210-D212 PolarHBondContact O-N 3.37Å; A210-I213 PolarHBondContact O-N 3.15Å; A210-W214 PolarHBondContact O-N 3.25Å; A210-P301 HydrophobicContact CB-CB 3.74Å; A210-R304 VanDerWaalsContact C-NH1 3.33Å; A210-R304 PolarHBondContact O-NH1 3.42Å
211I98.5Very high97.3Very high1 Ų115.1 Ų15.11%0.0058%0.079CC..Hα-helixtrans-63.9-35.4176.869.4175000112R153 P197 E199 L200 Y207 T208 T209 G215R153-I211 HydrophobicContact CB-CD1 4.33Å; R153-I211 HydrophobicContact CG-CD1 3.86Å; P197-I211 HydrophobicContact CG-CB 3.82Å; P197-I211 HydrophobicContact CG-CG2 3.78Å; E199-I211 HydrophobicContact CG-CG2 4.23Å; E199-I211 WeakPolarHBondContact OE1-CG2 3.35Å; L200-I211 HydrophobicContact CD1-CD1 4.45Å; L200-I211 HydrophobicContact CD1-CG2 4.32Å; L200-I211 HydrophobicContact CG-CG2 4.21Å; Y207-I211 HydrophobicContact CD2-CD1 3.54Å; Y207-I211 HydrophobicContact CD2-CG1 4.48Å; Y207-I211 HydrophobicContact CD2-CG2 4.24Å; Y207-I211 HydrophobicContact CE2-CD1 3.66Å; Y207-I211 HydrophobicContact CG-CD1 4.42Å; Y207-I211 HydrophobicContact CG-CG2 4.26Å; T208-I211 WeakPolarHBondContact O-CG1 3.44Å; T208-I211 PolarHBondContact O-N 2.86Å; T209-I211 PolarHBondContact O-N 3.36Å; T209-I211 VanDerWaalsContact O-N 3.14Å; I211-G215 PolarHBondContact O-N 2.89Å
212D98.7Very high97.3Very high0 Ų015.3 Ų15.30%08%0.08CC..Hα-helixtrans-76.1-33.8179.8-64.5-33.5000110L142 H146 H152 R153 M155 T209 A210 G215 A216L142-D212 HydrophobicContact CD2-CB 3.93Å; H146-D212 IonicContact CD2-OD2 3.98Å; H146-D212 IonicContact CE1-OD2 3.21Å; H146-D212 IonicContact NE2-OD2 3.45Å; H146-D212 PolarHBondContact NE2-OD2 3.27Å; H152-D212 WeakPolarHBondContact CB-OD1 3.33Å; H152-D212 PolarHBondContact N-OD1 2.84Å; H152-D212 PolarHBondContact N-OD2 3.35Å; R153-D212 PolarHBondContact N-OD1 3.18Å; M155-D212 HydrophobicContact CG-CB 3.98Å; T209-D212 PolarHBondContact O-N 2.64Å; T209-D212 VanDerWaalsContact O-N 3.08Å; A210-D212 VanDerWaalsContact C-N 3.28Å; A210-D212 PolarHBondContact O-N 3.37Å; D212-G215 PolarHBondContact O-N 2.81Å; D212-A216 WeakPolarHBondContact O-CB 3.37Å; D212-A216 PolarHBondContact O-N 3.47Å
213I98.9Very high97.4Very high1 Ų115.5 Ų15.51%0.0058%0.081CC..Hα-helixtrans-67.2-38.3175.6-53.7-60.6000111.7L142 A210 G215 A216 G217 M296 R304 I305 A307L142-I213 HydrophobicContact CD1-CD1 4.19Å; A210-I213 PolarHBondContact O-N 3.15Å; I213-G215 VanDerWaalsContact C-N 3.35Å; I213-G215 PolarHBondContact O-N 3.38Å; I213-A216 CarbonylContact O-C 3.53Å; I213-A216 WeakPolarHBondContact O-CB 3.33Å; I213-A216 PolarHBondContact O-N 3.23Å; I213-G217 PolarHBondContact O-N 3.06Å; I213-M296 HydrophobicContact CG2-CB 4.19Å; I213-M296 HydrophobicContact CG2-CE 3.91Å; I213-M296 HydrophobicContact CG2-CG 3.99Å; I213-R304 HydrophobicContact CG2-CG 4.48Å; I213-I305 HydrophobicContact CG2-CG2 4.15Å; I213-I305 VanDerWaalsContact CG2-O 3.25Å; I213-I305 WeakPolarHBondContact CG2-O 3.47Å; I213-A307 HydrophobicContact CD1-CB 3.9Å
214W98.9Very high97.5Very high0 Ų017.3 Ų17.30%09%0.086CC..Hα-helixtrans-58.5-48.5172.2176.8-85.6000111.5Y195 R196 P197 P198 A210 A216 G217 C218 M230 I242 L297Y195-W214 VanDerWaalsContact O-CD1 3.25Å; R196-W214 PolarHBondContact O-NE1 3.38Å; P197-W214 HydrophobicContact CB-CB 3.76Å; P197-W214 HydrophobicContact CB-CD2 3.93Å; P197-W214 HydrophobicContact CB-CG 3.51Å; P198-W214 HydrophobicContact CG-CH2 4.29Å; P198-W214 HydrophobicContact CG-CZ3 4.21Å; A210-W214 PolarHBondContact O-N 3.25Å; W214-A216 VanDerWaalsContact C-N 3.27Å; W214-A216 PolarHBondContact O-N 3.15Å; W214-G217 WeakPolarHBondContact O-CA 3.36Å; W214-G217 PolarHBondContact O-N 3.1Å; W214-C218 PolarHBondContact O-N 2.96Å; W214-M230 HydrophobicContact CZ2-CE 3.77Å; W214-I242 HydrophobicContact CH2-CG1 4.46Å; W214-I242 HydrophobicContact CH2-CG2 3.86Å; W214-I242 HydrophobicContact CZ2-CD1 3.92Å; W214-I242 HydrophobicContact CZ2-CG1 3.93Å; W214-I242 HydrophobicContact CZ2-CG2 4.18Å; W214-L297 HydrophobicContact CD2-CD2 4.07Å; W214-L297 HydrophobicContact CE3-CD2 4.12Å; W214-L297 HydrophobicContact CH2-CD2 4.4Å; W214-L297 HydrophobicContact CZ2-CD2 4.35Å; W214-L297 HydrophobicContact CZ3-CB 4.31Å; W214-L297 HydrophobicContact CZ3-CD2 4.29Å
215G98.7Very high97.6Very high1 Ų117.2 Ų17.21%0.019%0.086CC..Hα-helixtrans-58.5-40.3175.500000112.2I211 D212 I213 C218 I219I211-G215 PolarHBondContact O-N 2.89Å; D212-G215 PolarHBondContact O-N 2.81Å; I213-G215 VanDerWaalsContact C-N 3.35Å; I213-G215 PolarHBondContact O-N 3.38Å; G215-C218 WeakPolarHBondContact O-CB 3.33Å; G215-C218 PolarHBondContact O-N 3.04Å; G215-I219 VanDerWaalsContact O-CG1 3.27Å; G215-I219 WeakPolarHBondContact O-CG1 3.49Å; G215-I219 PolarHBondContact O-N 3.28Å
216A98.9Very high97.7Very high0 Ų015.3 Ų15.30%08%0.079CC..Hα-helixtrans-64.1-36.2173.400000113.1L138 L142 D212 I213 W214 I219 M220 M296L138-A216 HydrophobicContact CD2-CB 3.49Å; L138-A216 VanDerWaalsContact CD2-CB 3.49Å; L142-A216 HydrophobicContact CD1-CB 3.75Å; D212-A216 WeakPolarHBondContact O-CB 3.37Å; D212-A216 PolarHBondContact O-N 3.47Å; I213-A216 CarbonylContact O-C 3.53Å; I213-A216 WeakPolarHBondContact O-CB 3.33Å; I213-A216 PolarHBondContact O-N 3.23Å; W214-A216 VanDerWaalsContact C-N 3.27Å; W214-A216 PolarHBondContact O-N 3.15Å; A216-I219 PolarHBondContact O-N 3.17Å; A216-M220 WeakPolarHBondContact O-CB 3.24Å; A216-M220 PolarHBondContact O-N 3.36Å; A216-M296 HydrophobicContact CB-CE 3.37Å
217G98.9Very high97.8Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-65.4-41.7174.600000112.3I213 W214 M220 A221I213-G217 PolarHBondContact O-N 3.06Å; W214-G217 WeakPolarHBondContact O-CA 3.36Å; W214-G217 PolarHBondContact O-N 3.1Å; G217-M220 PolarHBondContact O-N 3.23Å; G217-A221 PolarHBondContact O-N 3.42Å; G217-A221 VanDerWaalsContact O-N 3.08Å
218C98.9Very high98Very high1 Ų115.4 Ų15.41%0.0079%0.086CC..Hα-helixtrans-59.4-49.8171.1-69.10000111.2Y195 W214 G215 M220 A221 E222Y195-C218 HydrophobicContact CD1-CB 3.71Å; Y195-C218 HydrophobicContact CE1-CB 4.07Å; W214-C218 PolarHBondContact O-N 2.96Å; G215-C218 WeakPolarHBondContact O-CB 3.33Å; G215-C218 PolarHBondContact O-N 3.04Å; C218-M220 VanDerWaalsContact C-N 3.3Å; C218-M220 PolarHBondContact O-N 2.79Å; C218-A221 PolarHBondContact O-N 3.31Å; C218-E222 WeakPolarHBondContact O-CG 3.28Å; C218-E222 PolarHBondContact O-N 3.25Å
219I98.8Very high98.1Very high0 Ų014.9 Ų14.90%08%0.08CC..Hα-helixtrans-60-40.5177.7-67.4164.5000111.2L115 L138 M155 V160 Y195 G215 A216 A221 E222 M223L115-I219 HydrophobicContact CD2-CG2 3.52Å; L138-I219 HydrophobicContact CD1-CD1 4.32Å; L138-I219 HydrophobicContact CD1-CG2 4.11Å; M155-I219 HydrophobicContact CE-CD1 3.89Å; V160-I219 HydrophobicContact CG2-CD1 4.01Å; Y195-I219 HydrophobicContact CD1-CG1 4.24Å; Y195-I219 HydrophobicContact CE1-CG1 3.78Å; G215-I219 VanDerWaalsContact O-CG1 3.27Å; G215-I219 WeakPolarHBondContact O-CG1 3.49Å; G215-I219 PolarHBondContact O-N 3.28Å; A216-I219 PolarHBondContact O-N 3.17Å; I219-A221 PolarHBondContact O-N 3.44Å; I219-E222 WeakPolarHBondContact O-CB 3.37Å; I219-E222 PolarHBondContact O-N 2.79Å; I219-E222 VanDerWaalsContact O-N 3.15Å; I219-M223 PolarHBondContact O-N 3.03Å
220M98.9Very high98.2Very high0 Ų013.4 Ų13.40%07%0.071CC..Hα-helixtrans-60.2-47.1178-172.7163.2174.100110.9M135 A216 G217 C218 E222 M223 W224 A289 L292 I293 M296 F315M135-M220 HydrophobicContact CE-CB 3.6Å; M135-M220 HydrophobicContact CE-CG 3.96Å; M135-M220 HydrophobicContact CE-SD 3.99Å; M135-M220 HydrophobicContact CG-CB 4.39Å; M135-M220 HydrophobicContact CG-CG 3.89Å; M135-M220 HydrophobicContact CG-SD 4.12Å; M135-M220 HydrophobicContact SD-CB 3.71Å; M135-M220 HydrophobicContact SD-CG 3.9Å; A216-M220 WeakPolarHBondContact O-CB 3.24Å; A216-M220 PolarHBondContact O-N 3.36Å; G217-M220 PolarHBondContact O-N 3.23Å; C218-M220 VanDerWaalsContact C-N 3.3Å; C218-M220 PolarHBondContact O-N 2.79Å; M220-E222 VanDerWaalsContact C-N 3.27Å; M220-E222 PolarHBondContact O-N 3.33Å; M220-M223 VanDerWaalsContact O-CB 3.3Å; M220-M223 WeakPolarHBondContact O-CB 3.37Å; M220-M223 PolarHBondContact O-N 2.91Å; M220-W224 HydrophobicContact CE-CH2 3.97Å; M220-W224 HydrophobicContact CE-CZ3 4.18Å; M220-W224 HydrophobicContact CG-CH2 4.46Å; M220-W224 HydrophobicContact CG-CZ3 3.83Å; M220-W224 WeakPolarHBondContact O-CZ3 3.42Å; M220-A289 HydrophobicContact CE-CB 4.34Å; M220-L292 HydrophobicContact CE-CB 4.02Å; M220-L292 HydrophobicContact CE-CD2 3.86Å; M220-L292 HydrophobicContact CE-CG 4.1Å; M220-L292 HydrophobicContact SD-CB 4.33Å; M220-L292 HydrophobicContact SD-CD2 3.88Å; M220-L292 HydrophobicContact SD-CG 3.9Å; M220-I293 HydrophobicContact CB-CG1 4.06Å; M220-I293 HydrophobicContact CE-CG1 4.07Å; M220-I293 HydrophobicContact CG-CD1 4.11Å; M220-I293 HydrophobicContact CG-CG1 3.58Å; M220-I293 HydrophobicContact SD-CG1 3.87Å; M220-M296 HydrophobicContact SD-SD 3.96Å; M220-F315 HydrophobicContact CE-CD1 3.96Å; M220-F315 HydrophobicContact CE-CE1 3.59Å; M220-F315 HydrophobicContact CE-CE2 4.46Å; M220-F315 HydrophobicContact CE-CZ 3.87Å
221A98.8Very high98.2Very high0 Ų016.2 Ų16.20%08%0.083CC..Hα-helixtrans-61.1-37.4175.700000112.4G217 C218 I219 M223 W224 T225 I229 L280 I293G217-A221 PolarHBondContact O-N 3.42Å; G217-A221 VanDerWaalsContact O-N 3.08Å; C218-A221 PolarHBondContact O-N 3.31Å; I219-A221 PolarHBondContact O-N 3.44Å; A221-M223 PolarHBondContact O-N 3.4Å; A221-W224 PolarHBondContact O-N 3.13Å; A221-W224 VanDerWaalsContact O-N 3.1Å; A221-T225 PolarHBondContact O-N 2.94Å; A221-T225 PolarHBondContact O-OG1 3.38Å; A221-I229 HydrophobicContact CB-CD1 3.88Å; A221-I229 HydrophobicContact CB-CG1 4.49Å; A221-I229 HydrophobicContact CB-CG2 3.69Å; A221-L280 HydrophobicContact CB-CD1 4.11Å; A221-L280 HydrophobicContact CB-CD2 4.2Å; A221-I293 HydrophobicContact CB-CD1 4.35Å; A221-I293 HydrophobicContact CB-CG2 4.3Å
222E98.1Very high98.1Very high6 Ų616.1 Ų16.13%0.0288%0.083CC..Hα-helixtrans-61-25.3176.7-71.1-176-132.900114.3L119 Y195 C218 I219 M220 W224 T225 R226 S227 P228L119-E222 HydrophobicContact CD1-CB 3.89Å; Y195-E222 WeakPolarHBondContact CE1-OE1 3.34Å; Y195-E222 VanDerWaalsContact OH-CD 3.28Å; Y195-E222 PolarHBondContact OH-OE1 2.87Å; Y195-E222 PolarHBondContact OH-OE2 3.15Å; C218-E222 WeakPolarHBondContact O-CG 3.28Å; C218-E222 PolarHBondContact O-N 3.25Å; I219-E222 WeakPolarHBondContact O-CB 3.37Å; I219-E222 PolarHBondContact O-N 2.79Å; I219-E222 VanDerWaalsContact O-N 3.15Å; M220-E222 VanDerWaalsContact C-N 3.27Å; M220-E222 PolarHBondContact O-N 3.33Å; E222-W224 PolarHBondContact O-N 2.77Å; E222-W224 VanDerWaalsContact O-N 3.13Å; E222-T225 WeakPolarHBondContact CA-OG1 3.2Å; E222-R226 VanDerWaalsContact O-CA 3.28Å; E222-R226 WeakPolarHBondContact O-CA 3.42Å; E222-R226 PolarHBondContact O-N 2.75Å; E222-S227 WeakPolarHBondContact CG-O 3.37Å; E222-P228 VanDerWaalsContact CD-CA 3.48Å
223M98.2Very high98Very high5 Ų521.6 Ų21.63%0.02511%0.112CC..Hα-helixtrans-57-30174.9-64-59.2-64.400112.3L115 L119 F126 I131 V134 M135 I219 M220 A221L115-M223 HydrophobicContact CD1-CE 4.25Å; L115-M223 HydrophobicContact CD1-SD 3.78Å; L115-M223 HydrophobicContact CD2-SD 3.86Å; L115-M223 HydrophobicContact CG-SD 4.2Å; L119-M223 HydrophobicContact CD1-SD 4.42Å; L119-M223 HydrophobicContact CD2-SD 4.13Å; F126-M223 HydrophobicContact CD1-CE 3.88Å; F126-M223 HydrophobicContact CD2-CE 4.1Å; F126-M223 HydrophobicContact CE1-CE 4.02Å; F126-M223 HydrophobicContact CE2-CE 4.24Å; F126-M223 HydrophobicContact CG-CE 3.92Å; F126-M223 HydrophobicContact CZ-CE 4.2Å; I131-M223 HydrophobicContact CB-CE 4.43Å; I131-M223 HydrophobicContact CD1-CB 4.16Å; I131-M223 HydrophobicContact CG1-CB 4.23Å; I131-M223 HydrophobicContact CG1-CE 3.95Å; I131-M223 HydrophobicContact CG2-CB 3.78Å; I131-M223 HydrophobicContact CG2-CE 4.35Å; I131-M223 HydrophobicContact CG2-CG 3.98Å; V134-M223 HydrophobicContact CB-CE 4.11Å; V134-M223 HydrophobicContact CG1-CE 3.99Å; V134-M223 HydrophobicContact CG1-SD 4.08Å; V134-M223 HydrophobicContact CG2-CE 4.05Å; M135-M223 HydrophobicContact SD-CG 4.48Å; I219-M223 PolarHBondContact O-N 3.03Å; M220-M223 VanDerWaalsContact O-CB 3.3Å; M220-M223 WeakPolarHBondContact O-CB 3.37Å; M220-M223 PolarHBondContact O-N 2.91Å; A221-M223 PolarHBondContact O-N 3.4Å
224W97.9Very high97.9Very high44 Ų4425.3 Ų25.317%0.16713%0.134CC..Hα-helixtrans-103.7-41.5177-66.3-89.7000113.6L128 I131 M220 A221 E222 R226 V284 A289 I293 F315L128-W224 HydrophobicContact CD1-CZ2 4.11Å; I131-W224 HydrophobicContact CB-CZ2 4.33Å; I131-W224 HydrophobicContact CD1-CD2 4.11Å; I131-W224 HydrophobicContact CD1-CG 4.44Å; I131-W224 HydrophobicContact CD1-CZ2 3.84Å; I131-W224 HydrophobicContact CG2-CH2 3.46Å; I131-W224 VanDerWaalsContact CG2-CH2 3.46Å; I131-W224 HydrophobicContact CG2-CZ2 3.67Å; I131-W224 HydrophobicContact CG2-CZ3 3.99Å; M220-W224 HydrophobicContact CE-CH2 3.97Å; M220-W224 HydrophobicContact CE-CZ3 4.18Å; M220-W224 HydrophobicContact CG-CH2 4.46Å; M220-W224 HydrophobicContact CG-CZ3 3.83Å; M220-W224 WeakPolarHBondContact O-CZ3 3.42Å; A221-W224 PolarHBondContact O-N 3.13Å; A221-W224 VanDerWaalsContact O-N 3.1Å; E222-W224 PolarHBondContact O-N 2.77Å; E222-W224 VanDerWaalsContact O-N 3.13Å; W224-R226 VanDerWaalsContact C-N 3.25Å; W224-R226 PolarHBondContact O-N 3.23Å; W224-V284 HydrophobicContact CB-CG2 3.79Å; W224-V284 HydrophobicContact CD2-CB 4.33Å; W224-V284 HydrophobicContact CD2-CG1 4.08Å; W224-V284 HydrophobicContact CD2-CG2 3.66Å; W224-V284 HydrophobicContact CE3-CG1 4.38Å; W224-V284 HydrophobicContact CE3-CG2 3.8Å; W224-V284 HydrophobicContact CG-CB 4.36Å; W224-V284 HydrophobicContact CG-CG2 3.67Å; W224-V284 HydrophobicContact CH2-CG1 4.44Å; W224-V284 HydrophobicContact CZ2-CG1 4.12Å; W224-A289 HydrophobicContact CH2-CB 3.58Å; W224-A289 HydrophobicContact CZ2-CB 3.73Å; W224-A289 HydrophobicContact CZ3-CB 4.43Å; W224-I293 HydrophobicContact CE3-CD1 4.16Å; W224-I293 HydrophobicContact CZ3-CD1 3.83Å; W224-F315 HydrophobicContact CH2-CZ 4.14Å
225T97.3Very high97.8Very high24 Ų2428.3 Ų28.315%0.14715%0.149CC..Hα-helixtrans-74.2-20-178.760.80000112.5A221 E222 S227 I229 L280 Y283A221-T225 PolarHBondContact O-N 2.94Å; A221-T225 PolarHBondContact O-OG1 3.38Å; E222-T225 WeakPolarHBondContact CA-OG1 3.2Å; T225-S227 PolarHBondContact O-N 3.29Å; T225-S227 VanDerWaalsContact O-N 3.12Å; T225-S227 PolarHBondContact OG1-O 3Å; T225-I229 HydrophobicContact CG2-CG2 3.94Å; T225-L280 HydrophobicContact CG2-CD2 3.89Å; T225-Y283 HydrophobicContact CG2-CD1 4.31Å; T225-Y283 HydrophobicContact CG2-CD2 4.04Å; T225-Y283 HydrophobicContact CG2-CE2 4.4Å; T225-Y283 HydrophobicContact CG2-CG 3.99Å
226R96.5Very high97.6Very high61 Ų6133 Ų3323%0.2317%0.17CC..SBendtrans64.26.9180-53.7-74.2-65.8-165.3-6.9114.2L118 L119 N121 V124 E222 W224L118-R226 PolarHBondContact O-NH2 3.39Å; L118-R226 VanDerWaalsContact O-NH2 3.15Å; L119-R226 PolarHBondContact O-NE 3.49Å; L119-R226 PolarHBondContact O-NH2 2.93Å; N121-R226 PolarHBondContact O-NH2 2.94Å; V124-R226 PolarHBondContact O-NH1 3.26Å; V124-R226 PolarHBondContact O-NH2 3.48Å; E222-R226 VanDerWaalsContact O-CA 3.28Å; E222-R226 WeakPolarHBondContact O-CA 3.42Å; E222-R226 PolarHBondContact O-N 2.75Å; W224-R226 VanDerWaalsContact C-N 3.25Å; W224-R226 PolarHBondContact O-N 3.23Å
227S95.5Very high97.6Very high56 Ų5635.7 Ų35.739%0.39218%0.183SC..SBendtrans-152.9151.2177.260.90000110.4E222 T225 I229E222-S227 WeakPolarHBondContact CG-O 3.37Å; T225-S227 PolarHBondContact O-N 3.29Å; T225-S227 VanDerWaalsContact O-N 3.12Å; T225-S227 PolarHBondContact OG1-O 3Å; S227-I229 PolarHBondContact O-N 2.92Å
228P97.5Very high97.5Very high27 Ų2735.7 Ų35.718%0.17518%0.183CC..  trans-52.6131.6179.1-27.935.2000112.6W194 E222 Q231W194-P228 HydrophobicContact CD2-CB 4.48Å; W194-P228 HydrophobicContact CE3-CB 3.81Å; W194-P228 HydrophobicContact CE3-CG 3.7Å; W194-P228 HydrophobicContact CZ3-CB 4.34Å; W194-P228 HydrophobicContact CZ3-CG 3.89Å; E222-P228 VanDerWaalsContact CD-CA 3.48Å; P228-Q231 HydrophobicContact CB-CG 3.89Å; P228-Q231 WeakPolarHBondContact O-CG 3.49Å; P228-Q231 PolarHBondContact O-NE2 3.4Å
229I98.1Very high97.5Very high43 Ų4335.7 Ų35.722%0.22118%0.183CC..SBendtrans-77.9-19.3-170.156.4164.7000114.6A221 T225 S227 L245 L280 L297A221-I229 HydrophobicContact CB-CD1 3.88Å; A221-I229 HydrophobicContact CB-CG1 4.49Å; A221-I229 HydrophobicContact CB-CG2 3.69Å; T225-I229 HydrophobicContact CG2-CG2 3.94Å; S227-I229 PolarHBondContact O-N 2.92Å; I229-L245 HydrophobicContact CD1-CD2 3.95Å; I229-L280 HydrophobicContact CG2-CD2 4.49Å; I229-L297 HydrophobicContact CD1-CD1 3.85Å
230M98.1Very high97.4Very high4 Ų439.1 Ų39.12%0.0220%0.199CC..  trans-13987-177.1-66.3176.4-7000109.9W194 W214 G232 Q238 L241 I242 L245W194-M230 WeakPolarHBondContact CA-O 3.3Å; W214-M230 HydrophobicContact CZ2-CE 3.77Å; M230-G232 PolarHBondContact O-N 3.38Å; M230-Q238 PolarHBondContact O-NE2 3.02Å; M230-Q238 PolarHBondContact O-OE1 3.38Å; M230-Q238 VanDerWaalsContact O-OE1 3.09Å; M230-L241 HydrophobicContact CB-CB 4.25Å; M230-L241 HydrophobicContact CG-CB 4.35Å; M230-I242 HydrophobicContact CE-CG1 4.35Å; M230-I242 HydrophobicContact SD-CB 4.28Å; M230-I242 HydrophobicContact SD-CG1 3.59Å; M230-I242 VanDerWaalsContact SD-CG1 3.59Å; M230-L245 HydrophobicContact CE-CD2 4.48Å; M230-L245 HydrophobicContact CG-CD2 4.09Å; M230-L245 HydrophobicContact SD-CD2 3.88Å
231Q97.8Very high97.4Very high66 Ų6640.7 Ų40.731%0.30821%0.208SC..  trans-96.269.2-174.8-64.81763500112W194 P228W194-Q231 HydrophobicContact CD2-CB 4.26Å; W194-Q231 HydrophobicContact CD2-CG 3.93Å; W194-Q231 HydrophobicContact CE3-CG 4.12Å; W194-Q231 HydrophobicContact CG-CG 4.47Å; W194-Q231 HydrophobicContact CH2-CG 4.11Å; W194-Q231 HydrophobicContact CZ2-CB 3.92Å; W194-Q231 HydrophobicContact CZ2-CG 3.94Å; W194-Q231 HydrophobicContact CZ3-CG 4.22Å; P228-Q231 HydrophobicContact CB-CG 3.89Å; P228-Q231 WeakPolarHBondContact O-CG 3.49Å; P228-Q231 PolarHBondContact O-NE2 3.4Å
232G97.4Very high97.4Very high0 Ų040.7 Ų40.70%021%0.208CC..  trans-71.8144.4175.900000112L193 W194 M230 L241L193-G232 WeakPolarHBondContact CD2-O 3.43Å; W194-G232 PolarHBondContact NE1-O 2.92Å; M230-G232 PolarHBondContact O-N 3.38Å; G232-L241 VanDerWaalsContact N-CD1 3.34Å
233N95.8Very high97.4Very high115 Ų11540.4 Ų40.462%0.61521%0.206SC*.SBendtrans-96.3-15.7177.8-64.1-9.3000112.6H237N233-H237 PolarHBondContact N-ND1 2.94Å
234T96.8Very high97.4Very high78 Ų7844.7 Ų44.748%0.47923%0.226SC..SBendtrans-140.7164176.165.50000108.8Q236 H237 Q238T234-Q236 VanDerWaalsContact C-N 3.3Å; T234-Q236 PolarHBondContact O-N 3.42Å; T234-H237 PolarHBondContact O-N 3.21Å; T234-H237 WeakPolarHBondContact OG1-CB 3.11Å; T234-H237 PolarHBondContact OG1-N 3.44Å; T234-Q238 WeakPolarHBondContact O-CB 3.35Å; T234-Q238 PolarHBondContact O-N 2.75Å
235E96.3Very high97.4Very high64 Ų6443.5 Ų43.530%0.29922%0.223SC..Hα-helixtrans-61.2-39.4176.9-68.6176.9172.400111.8R189 L193 R196 L201 Q238 L239R189-E235 IonicContact NE-OE1 3.39Å; L193-E235 HydrophobicContact CD1-CG 3.99Å; R196-E235 IonicContact CZ-OE1 2.82Å; R196-E235 IonicContact NH1-OE1 2.71Å; R196-E235 PolarHBondContact NH1-OE1 3.48Å; L201-E235 HydrophobicContact CD2-CB 3.82Å; L201-E235 HydrophobicContact CD2-CG 3.9Å; E235-Q238 PolarHBondContact O-N 2.82Å; E235-L239 PolarHBondContact O-N 2.71Å
236Q96.2Very high97.5Very high99 Ų9942.5 Ų42.546%0.46322%0.217SC..Hα-helixtrans-63.9-45.4173.3-172176.75.500111.8T234 Q238 L239 M240 I266T234-Q236 VanDerWaalsContact C-N 3.3Å; T234-Q236 PolarHBondContact O-N 3.42Å; Q236-Q238 VanDerWaalsContact C-N 3.3Å; Q236-Q238 PolarHBondContact O-N 2.95Å; Q236-L239 PolarHBondContact O-N 3.34Å; Q236-M240 WeakPolarHBondContact O-CG 2.89Å; Q236-M240 PolarHBondContact O-N 3.28Å; Q236-I266 HydrophobicContact CG-CG2 4.49Å
237H97.2Very high97.5Very high57 Ų5739.8 Ų39.826%0.26421%0.208SC..Hα-helixtrans-63.1-39.1176.7-176.1-165.3000111.4N233 T234 L239 M240 L241N233-H237 PolarHBondContact N-ND1 2.94Å; T234-H237 PolarHBondContact O-N 3.21Å; T234-H237 WeakPolarHBondContact OG1-CB 3.11Å; T234-H237 PolarHBondContact OG1-N 3.44Å; H237-L239 PolarHBondContact O-N 2.85Å; H237-M240 HydrophobicContact CB-CE 4.36Å; H237-M240 WeakPolarHBondContact O-CB 3.39Å; H237-M240 PolarHBondContact O-N 2.96Å; H237-L241 WeakPolarHBondContact O-CG 3.35Å; H237-L241 PolarHBondContact O-N 3.25Å
238Q98.1Very high97.7Very high0 Ų037.5 Ų37.50%019%0.192CC..Hα-helixtrans-60-45.6174.8-169.466.826.400111.4L193 W194 L201 M230 T234 E235 Q236 M240 L241 I242L193-Q238 HydrophobicContact CD1-CB 3.79Å; L193-Q238 HydrophobicContact CD1-CG 3.98Å; L193-Q238 HydrophobicContact CG-CB 4.19Å; L193-Q238 HydrophobicContact CG-CG 4.3Å; L193-Q238 VanDerWaalsContact O-CD 3.29Å; L193-Q238 WeakPolarHBondContact O-CG 3.09Å; W194-Q238 PolarHBondContact O-NE2 3.18Å; L201-Q238 HydrophobicContact CD1-CB 4.08Å; L201-Q238 HydrophobicContact CD1-CG 3.64Å; L201-Q238 HydrophobicContact CD2-CB 4.32Å; L201-Q238 HydrophobicContact CD2-CG 4.43Å; M230-Q238 PolarHBondContact O-NE2 3.02Å; M230-Q238 PolarHBondContact O-OE1 3.38Å; M230-Q238 VanDerWaalsContact O-OE1 3.09Å; T234-Q238 WeakPolarHBondContact O-CB 3.35Å; T234-Q238 PolarHBondContact O-N 2.75Å; E235-Q238 PolarHBondContact O-N 2.82Å; Q236-Q238 VanDerWaalsContact C-N 3.3Å; Q236-Q238 PolarHBondContact O-N 2.95Å; Q238-M240 VanDerWaalsContact C-N 3.31Å; Q238-M240 PolarHBondContact O-N 2.74Å; Q238-L241 PolarHBondContact O-N 2.84Å; Q238-I242 HydrophobicContact CG-CD1 4.15Å; Q238-I242 VanDerWaalsContact O-CG1 3.28Å; Q238-I242 WeakPolarHBondContact O-CG1 3.47Å; Q238-I242 PolarHBondContact O-N 3.3Å
239L97.8Very high97.7Very high1 Ų136.4 Ų36.41%0.00519%0.185CC..Hα-helixtrans-60.5-38174.7-80.8168.8000112.9L201 L202 E235 Q236 H237 I242 S243 I249 I266 L268L201-L239 HydrophobicContact CB-CD1 4.04Å; L201-L239 HydrophobicContact CB-CD2 3.7Å; L201-L239 HydrophobicContact CB-CG 3.73Å; L201-L239 HydrophobicContact CD1-CD2 4.06Å; L201-L239 HydrophobicContact CD1-CG 4.04Å; L201-L239 HydrophobicContact CG-CG 4.4Å; L202-L239 HydrophobicContact CD2-CD1 4.05Å; L202-L239 HydrophobicContact CD2-CD2 4.34Å; L202-L239 HydrophobicContact CG-CD2 4.21Å; E235-L239 PolarHBondContact O-N 2.71Å; Q236-L239 PolarHBondContact O-N 3.34Å; H237-L239 PolarHBondContact O-N 2.85Å; L239-I242 PolarHBondContact O-N 2.95Å; L239-S243 WeakPolarHBondContact O-CB 3.46Å; L239-S243 PolarHBondContact O-N 3.14Å; L239-S243 PolarHBondContact O-OG 2.84Å; L239-I249 HydrophobicContact CD2-CD1 3.88Å; L239-I266 HydrophobicContact CD1-CD1 4.12Å; L239-I266 HydrophobicContact CD1-CG2 4.03Å; L239-L268 HydrophobicContact CB-CD2 4.14Å; L239-L268 HydrophobicContact CD1-CD2 4.13Å; L239-L268 HydrophobicContact CD2-CD2 4.29Å; L239-L268 HydrophobicContact CG-CD2 4.43Å
240M97.5Very high97.6Very high71 Ų7136 Ų3635%0.3519%0.185SC..Hα-helixtrans-62.5-47.4174.5-65.6-165.2-47.800111.6Q236 H237 Q238 I242 S243 Q244 P269Q236-M240 WeakPolarHBondContact O-CG 2.89Å; Q236-M240 PolarHBondContact O-N 3.28Å; H237-M240 HydrophobicContact CB-CE 4.36Å; H237-M240 WeakPolarHBondContact O-CB 3.39Å; H237-M240 PolarHBondContact O-N 2.96Å; Q238-M240 VanDerWaalsContact C-N 3.31Å; Q238-M240 PolarHBondContact O-N 2.74Å; M240-I242 VanDerWaalsContact C-N 3.34Å; M240-I242 PolarHBondContact O-N 3.44Å; M240-S243 PolarHBondContact O-N 2.87Å; M240-Q244 WeakPolarHBondContact O-CB 3.42Å; M240-Q244 VanDerWaalsContact O-CG 3.28Å; M240-Q244 WeakPolarHBondContact O-CG 3.4Å; M240-Q244 PolarHBondContact O-N 2.85Å; M240-P269 HydrophobicContact CB-CG 4.35Å; M240-P269 HydrophobicContact CG-CG 4.13Å
241L98.3Very high97.6Very high34 Ų3438.3 Ų38.318%0.17820%0.199CC..Hα-helixtrans-63-41.8178.7-66.9175.9000111.6M230 G232 H237 Q238 S243 Q244 L245M230-L241 HydrophobicContact CB-CB 4.25Å; M230-L241 HydrophobicContact CG-CB 4.35Å; G232-L241 VanDerWaalsContact N-CD1 3.34Å; H237-L241 WeakPolarHBondContact O-CG 3.35Å; H237-L241 PolarHBondContact O-N 3.25Å; Q238-L241 PolarHBondContact O-N 2.84Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 2.87Å; L241-Q244 PolarHBondContact O-N 3.49Å; L241-L245 PolarHBondContact O-N 3.37Å; L241-L245 VanDerWaalsContact O-N 3.11Å
242I98.6Very high97.5Very high0 Ų042.5 Ų42.50%022%0.219CC..Hα-helixtrans-58-48.2173.6-69.6170.8000109.8P198 L201 W214 M230 Q238 L239 M240 Q244 L245 C246 L299P198-I242 HydrophobicContact CB-CG2 4.44Å; L201-I242 HydrophobicContact CD1-CD1 3.46Å; L201-I242 VanDerWaalsContact CD1-CD1 3.46Å; W214-I242 HydrophobicContact CH2-CG1 4.46Å; W214-I242 HydrophobicContact CH2-CG2 3.86Å; W214-I242 HydrophobicContact CZ2-CD1 3.92Å; W214-I242 HydrophobicContact CZ2-CG1 3.93Å; W214-I242 HydrophobicContact CZ2-CG2 4.18Å; M230-I242 HydrophobicContact CE-CG1 4.35Å; M230-I242 HydrophobicContact SD-CB 4.28Å; M230-I242 HydrophobicContact SD-CG1 3.59Å; M230-I242 VanDerWaalsContact SD-CG1 3.59Å; Q238-I242 HydrophobicContact CG-CD1 4.15Å; Q238-I242 VanDerWaalsContact O-CG1 3.28Å; Q238-I242 WeakPolarHBondContact O-CG1 3.47Å; Q238-I242 PolarHBondContact O-N 3.3Å; L239-I242 PolarHBondContact O-N 2.95Å; M240-I242 VanDerWaalsContact C-N 3.34Å; M240-I242 PolarHBondContact O-N 3.44Å; I242-Q244 VanDerWaalsContact C-N 3.34Å; I242-Q244 PolarHBondContact O-N 2.89Å; I242-L245 PolarHBondContact O-N 3.19Å; I242-C246 HydrophobicContact CG2-CB 4.27Å; I242-C246 WeakPolarHBondContact O-CA 3.35Å; I242-C246 VanDerWaalsContact O-CB 3.24Å; I242-C246 WeakPolarHBondContact O-CB 3.49Å; I242-C246 PolarHBondContact O-N 3.16Å; I242-L299 HydrophobicContact CG2-CD2 3.73Å
243S98.2Very high97.4Very high0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-66.5-35.3-178.2-600000112.5L239 M240 L241 L245 G247 L272L239-S243 WeakPolarHBondContact O-CB 3.46Å; L239-S243 PolarHBondContact O-N 3.14Å; L239-S243 PolarHBondContact O-OG 2.84Å; M240-S243 PolarHBondContact O-N 2.87Å; L241-S243 VanDerWaalsContact C-N 3.32Å; L241-S243 PolarHBondContact O-N 2.87Å; S243-L245 VanDerWaalsContact C-N 3.31Å; S243-L245 PolarHBondContact O-N 2.78Å; S243-G247 WeakPolarHBondContact CA-O 3.35Å; S243-G247 CarbonylContact O-C 3.57Å; S243-G247 VanDerWaalsContact O-C 3.25Å; S243-G247 VanDerWaalsContact O-CA 3.28Å; S243-G247 WeakPolarHBondContact O-CA 3.27Å; S243-G247 PolarHBondContact O-N 3.13Å; S243-G247 VanDerWaalsContact O-N 3.07Å; S243-L272 WeakPolarHBondContact O-CD1 3.45Å
244Q98Very high97.5Very high95 Ų9540.9 Ų40.944%0.44421%0.213SC..Hα-helixtrans-65.6-30.3174.7-74.3174.3-0.500113.9M240 L241 I242 L272M240-Q244 WeakPolarHBondContact O-CB 3.42Å; M240-Q244 VanDerWaalsContact O-CG 3.28Å; M240-Q244 WeakPolarHBondContact O-CG 3.4Å; M240-Q244 PolarHBondContact O-N 2.85Å; L241-Q244 PolarHBondContact O-N 3.49Å; I242-Q244 VanDerWaalsContact C-N 3.34Å; I242-Q244 PolarHBondContact O-N 2.89Å; Q244-L272 HydrophobicContact CG-CD1 4.13Å
245L98.4Very high97.5Very high18 Ų1840.5 Ų40.59%0.09421%0.212CC..Hα-helixtrans-94.8-50.1-179.5-177.762.7000112.2I229 M230 L241 I242 S243 K275 V276 R279I229-L245 HydrophobicContact CD1-CD2 3.95Å; M230-L245 HydrophobicContact CE-CD2 4.48Å; M230-L245 HydrophobicContact CG-CD2 4.09Å; M230-L245 HydrophobicContact SD-CD2 3.88Å; L241-L245 PolarHBondContact O-N 3.37Å; L241-L245 VanDerWaalsContact O-N 3.11Å; I242-L245 PolarHBondContact O-N 3.19Å; S243-L245 VanDerWaalsContact C-N 3.31Å; S243-L245 PolarHBondContact O-N 2.78Å; L245-K275 CarbonylContact O-C 3.53Å; L245-K275 WeakPolarHBondContact O-CA 3.11Å; L245-K275 PolarHBondContact O-N 2.89Å; L245-V276 HydrophobicContact CD1-CG2 4.49Å; L245-V276 HydrophobicContact CG-CG2 4.12Å; L245-V276 PolarHBondContact O-N 3.27Å; L245-V276 VanDerWaalsContact O-N 3.13Å; L245-R279 HydrophobicContact CD1-CB 3.69Å; L245-R279 HydrophobicContact CD1-CG 3.84Å
246C98.7Very high97.5Very high3 Ų342.4 Ų42.42%0.0222%0.22CC..Hα-helixtrans-92.2-7.9-170-61.30000113.8I242 R274 L299I242-C246 HydrophobicContact CG2-CB 4.27Å; I242-C246 WeakPolarHBondContact O-CA 3.35Å; I242-C246 VanDerWaalsContact O-CB 3.24Å; I242-C246 WeakPolarHBondContact O-CB 3.49Å; I242-C246 PolarHBondContact O-N 3.16Å; C246-R274 WeakPolarHBondContact O-CB 3.47Å; C246-R274 VanDerWaalsContact O-CG 3.31Å; C246-R274 WeakPolarHBondContact O-CG 3.35Å; C246-R274 PolarHBondContact O-NH1 2.84Å; C246-L299 HydrophobicContact CB-CD2 3.65Å; C246-L299 HydrophobicContact CB-CG 4.05Å
247G98.3Very high97.6Very high4 Ų437.7 Ų37.74%0.04120%0.198CC..  trans95.1165.4-174.200000112.2S243 I249 L272S243-G247 WeakPolarHBondContact CA-O 3.35Å; S243-G247 CarbonylContact O-C 3.57Å; S243-G247 VanDerWaalsContact O-C 3.25Å; S243-G247 VanDerWaalsContact O-CA 3.28Å; S243-G247 WeakPolarHBondContact O-CA 3.27Å; S243-G247 PolarHBondContact O-N 3.13Å; S243-G247 VanDerWaalsContact O-N 3.07Å; G247-I249 PolarHBondContact O-N 3.13Å; G247-L272 WeakPolarHBondContact CA-O 3.49Å
248S97.9Very high97.6Very high8 Ų838.7 Ų38.76%0.05621%0.208CC..  trans-61.4138178.2-73.10000111.6T250 T253 P269 P270 K271 L272S248-T250 PolarHBondContact O-N 3.05Å; S248-T253 PolarHBondContact O-OG1 3.3Å; S248-P269 PolarHBondContact OG-O 3.25Å; S248-P270 VanDerWaalsContact OG-C 3.22Å; S248-K271 PolarHBondContact OG-N 3.09Å; S248-K271 VanDerWaalsContact OG-N 3.09Å; S248-L272 PolarHBondContact N-O 3.32Å; S248-L272 WeakPolarHBondContact OG-CB 3.37Å; S248-L272 PolarHBondContact OG-N 3.12Å
249I98.1Very high97.4Very high5 Ų544.2 Ų44.23%0.02624%0.238CC..  trans-79.7106.3172.6-59.9171.9000107.9P198 L202 L239 G247 W254 V257 L268 L299P198-I249 HydrophobicContact CB-CD1 4.05Å; L202-I249 HydrophobicContact CD1-CD1 4.27Å; L202-I249 HydrophobicContact CD1-CG2 4.08Å; L239-I249 HydrophobicContact CD2-CD1 3.88Å; G247-I249 PolarHBondContact O-N 3.13Å; I249-W254 HydrophobicContact CG2-CE3 3.95Å; I249-W254 HydrophobicContact CG2-CZ3 4.36Å; I249-V257 HydrophobicContact CG2-CB 4.38Å; I249-V257 HydrophobicContact CG2-CG2 3.55Å; I249-L268 HydrophobicContact CB-CD1 4.24Å; I249-L268 HydrophobicContact CD1-CD2 4.39Å; I249-L268 HydrophobicContact CG2-CD1 4.38Å; I249-L299 HydrophobicContact CG1-CD1 4.04Å; I249-L299 HydrophobicContact CG1-CD2 4.04Å
250T97Very high97.4Very high35 Ų3545.2 Ų45.222%0.21524%0.243CC..  trans-140.1162.5-177.372.50000110.6S248 E252 T253 W254S248-T250 PolarHBondContact O-N 3.05Å; T250-E252 WeakPolarHBondContact CB-OE2 3.33Å; T250-E252 PolarHBondContact O-N 2.9Å; T250-E252 VanDerWaalsContact O-N 3.14Å; T250-E252 PolarHBondContact OG1-N 2.83Å; T250-E252 PolarHBondContact OG1-OE2 3.24Å; T250-T253 PolarHBondContact N-OG1 3.33Å; T250-T253 PolarHBondContact O-N 2.96Å; T250-T253 VanDerWaalsContact O-N 3.08Å; T250-T253 PolarHBondContact O-OG1 2.94Å; T250-W254 PolarHBondContact O-N 3.05Å
251P96.7Very high97.2Very high51 Ų5146.7 Ų46.733%0.33125%0.249SC..THydrogen-bonded Turntrans-61.2-21177-22.536.2000113.1W254 P255 V257 V258 Y263P251-W254 WeakPolarHBondContact CA-O 3.02Å; P251-W254 CarbonylContact O-C 3.53Å; P251-P255 VanDerWaalsContact O-CA 3.23Å; P251-P255 WeakPolarHBondContact O-CA 3.22Å; P251-V257 HydrophobicContact CG-CG1 4.42Å; P251-V258 HydrophobicContact CB-CG1 4.23Å; P251-V258 HydrophobicContact CG-CG1 3.69Å; P251-Y263 WeakPolarHBondContact CD-OH 3.44Å
252E96Very high97.1Very high155 Ų15547.3 Ų47.372%0.72425%0.252SS*.THydrogen-bonded Turntrans-73.2-37.5174-57.577.6-166.100112.7T250T250-E252 WeakPolarHBondContact CB-OE2 3.33Å; T250-E252 PolarHBondContact O-N 2.9Å; T250-E252 VanDerWaalsContact O-N 3.14Å; T250-E252 PolarHBondContact OG1-N 2.83Å; T250-E252 PolarHBondContact OG1-OE2 3.24Å
253T95.6Very high96.9Very high73 Ų7350.4 Ų50.445%0.44826%0.264SS..THydrogen-bonded Turntrans-90.3-20.4179.456.70000112.9S248 T250S248-T253 PolarHBondContact O-OG1 3.3Å; T250-T253 PolarHBondContact N-OG1 3.33Å; T250-T253 PolarHBondContact O-N 2.96Å; T250-T253 VanDerWaalsContact O-N 3.08Å; T250-T253 PolarHBondContact O-OG1 2.94Å
254W97.8Very high96.7Very high7 Ų754 Ų543%0.02730%0.301CS..  trans-151.190.8179.4-178.91.7000109.7P198 E199 L202 I249 T250 P251 H256 V257 L260 L299 D300 P301P198-W254 HydrophobicContact CB-CZ3 4.01Å; P198-W254 HydrophobicContact CG-CZ3 4.07Å; E199-W254 HydrophobicContact CB-CH2 3.62Å; E199-W254 HydrophobicContact CB-CZ2 3.95Å; L202-W254 HydrophobicContact CD1-CH2 4.41Å; L202-W254 HydrophobicContact CD1-CZ3 4.01Å; I249-W254 HydrophobicContact CG2-CE3 3.95Å; I249-W254 HydrophobicContact CG2-CZ3 4.36Å; T250-W254 PolarHBondContact O-N 3.05Å; P251-W254 WeakPolarHBondContact CA-O 3.02Å; P251-W254 CarbonylContact O-C 3.53Å; W254-H256 VanDerWaalsContact C-N 3.3Å; W254-H256 PolarHBondContact O-N 2.97Å; W254-V257 HydrophobicContact CB-CB 4.11Å; W254-V257 HydrophobicContact CD2-CB 3.73Å; W254-V257 HydrophobicContact CD2-CG2 3.94Å; W254-V257 HydrophobicContact CE3-CB 4.05Å; W254-V257 HydrophobicContact CE3-CG2 3.77Å; W254-V257 HydrophobicContact CG-CB 3.76Å; W254-V257 HydrophobicContact CG-CG2 4.46Å; W254-V257 HydrophobicContact CZ3-CG2 4.09Å; W254-V257 WeakPolarHBondContact O-CB 3.42Å; W254-V257 VanDerWaalsContact O-CG1 3.23Å; W254-V257 WeakPolarHBondContact O-CG1 3.32Å; W254-V257 PolarHBondContact O-N 3.18Å; W254-L260 HydrophobicContact CH2-CD1 3.53Å; W254-L260 HydrophobicContact CZ2-CD1 3.59Å; W254-L260 HydrophobicContact CZ3-CD1 4.33Å; W254-L299 HydrophobicContact CE3-CB 4.37Å; W254-D300 HydrophobicContact CB-CB 4.03Å; W254-D300 VanDerWaalsContact CD1-CG 3.47Å; W254-D300 HydrophobicContact CD2-CB 4.39Å; W254-D300 HydrophobicContact CG-CB 3.79Å; W254-P301 VanDerWaalsContact CZ2-CD 3.42Å; W254-P301 HydrophobicContact CZ2-CG 4.05Å
255P97.3Very high96.5Very high71 Ų7156.3 Ų56.346%0.46131%0.31SS..G310 helixtrans-53.5-42-172.7-30.336.7000114.7P251 V257P251-P255 VanDerWaalsContact O-CA 3.23Å; P251-P255 WeakPolarHBondContact O-CA 3.22Å; P255-V257 VanDerWaalsContact C-N 3.31Å; P255-V257 PolarHBondContact O-N 3.03Å
256H96.1Very high96.3Very high104 Ų10457.6 Ų57.648%0.48132%0.316SS..G310 helixtrans-86.98.3-177.1-64.4-65.3000114.4W254 V258 D259W254-H256 VanDerWaalsContact C-N 3.3Å; W254-H256 PolarHBondContact O-N 2.97Å; H256-V258 PolarHBondContact O-N 2.76Å; H256-D259 IonicContact CG-OD2 2.9Å; H256-D259 IonicContact ND1-OD2 3.6Å; H256-D259 PolarHBondContact ND1-OD2 2.92Å; H256-D259 WeakPolarHBondContact O-CB 3.37Å; H256-D259 PolarHBondContact O-N 3.11Å; H256-D259 VanDerWaalsContact O-N 3.17Å
257V97.5Very high96Very high0 Ų065 Ų650%035%0.35CS..G310 helixtrans-63.3-28.9177.575.90000112.1L202 I249 P251 W254 P255 D259 L260 Y263L202-V257 HydrophobicContact CD1-CG2 3.73Å; I249-V257 HydrophobicContact CG2-CB 4.38Å; I249-V257 HydrophobicContact CG2-CG2 3.55Å; P251-V257 HydrophobicContact CG-CG1 4.42Å; W254-V257 HydrophobicContact CB-CB 4.11Å; W254-V257 HydrophobicContact CD2-CB 3.73Å; W254-V257 HydrophobicContact CD2-CG2 3.94Å; W254-V257 HydrophobicContact CE3-CB 4.05Å; W254-V257 HydrophobicContact CE3-CG2 3.77Å; W254-V257 HydrophobicContact CG-CB 3.76Å; W254-V257 HydrophobicContact CG-CG2 4.46Å; W254-V257 HydrophobicContact CZ3-CG2 4.09Å; W254-V257 WeakPolarHBondContact O-CB 3.42Å; W254-V257 VanDerWaalsContact O-CG1 3.23Å; W254-V257 WeakPolarHBondContact O-CG1 3.32Å; W254-V257 PolarHBondContact O-N 3.18Å; P255-V257 VanDerWaalsContact C-N 3.31Å; P255-V257 PolarHBondContact O-N 3.03Å; V257-D259 PolarHBondContact O-N 2.8Å; V257-D259 VanDerWaalsContact O-N 3.17Å; V257-L260 HydrophobicContact CG2-CD1 4.11Å; V257-L260 WeakPolarHBondContact O-CB 3.32Å; V257-L260 PolarHBondContact O-N 2.87Å; V257-L260 VanDerWaalsContact O-N 3.1Å; V257-Y263 HydrophobicContact CB-CD2 4.33Å; V257-Y263 HydrophobicContact CB-CE2 4.41Å; V257-Y263 HydrophobicContact CG1-CD2 4.01Å; V257-Y263 HydrophobicContact CG1-CE1 4.22Å; V257-Y263 HydrophobicContact CG1-CE2 3.66Å; V257-Y263 HydrophobicContact CG1-CG 4.43Å; V257-Y263 HydrophobicContact CG2-CD2 3.52Å; V257-Y263 HydrophobicContact CG2-CE2 3.9Å; V257-Y263 HydrophobicContact CG2-CG 4.12Å; V257-Y263 WeakPolarHBondContact O-CB 3.44Å
258V96.9Very high95.9Very high78 Ų7866.2 Ų66.247%0.47336%0.356SS..G310 helixtrans-61.6-21.9178.3-60.40000113.2P251 H256 L260 Y263P251-V258 HydrophobicContact CB-CG1 4.23Å; P251-V258 HydrophobicContact CG-CG1 3.69Å; H256-V258 PolarHBondContact O-N 2.76Å; V258-L260 VanDerWaalsContact C-N 3.32Å; V258-Y263 HydrophobicContact CB-CD1 4.44Å; V258-Y263 HydrophobicContact CB-CE1 4.49Å; V258-Y263 HydrophobicContact CG1-CD1 4.31Å; V258-Y263 HydrophobicContact CG1-CE1 3.89Å
259D95.5Very high95.6Very high116 Ų11667.2 Ų67.262%0.6236%0.362SS*.G310 helixtrans-83.6-9.5-179-56.4-42.2000112.4H256 V257H256-D259 IonicContact CG-OD2 2.9Å; H256-D259 IonicContact ND1-OD2 3.6Å; H256-D259 PolarHBondContact ND1-OD2 2.92Å; H256-D259 WeakPolarHBondContact O-CB 3.37Å; H256-D259 PolarHBondContact O-N 3.11Å; H256-D259 VanDerWaalsContact O-N 3.17Å; V257-D259 PolarHBondContact O-N 2.8Å; V257-D259 VanDerWaalsContact O-N 3.17Å
260L96.1Very high95.3Very high21 Ų2171.6 Ų71.611%0.1139%0.391CS..SBendtrans-81.1136.5-176.8-61-175.2000112.4L202 D204 W254 V257 V258 L262 Y263L202-L260 HydrophobicContact CB-CB 4.13Å; L202-L260 HydrophobicContact CB-CD1 3.55Å; L202-L260 HydrophobicContact CD1-CD1 3.95Å; L202-L260 HydrophobicContact CG-CD1 4.42Å; D204-L260 HydrophobicContact CB-CD2 3.84Å; W254-L260 HydrophobicContact CH2-CD1 3.53Å; W254-L260 HydrophobicContact CZ2-CD1 3.59Å; W254-L260 HydrophobicContact CZ3-CD1 4.33Å; V257-L260 HydrophobicContact CG2-CD1 4.11Å; V257-L260 WeakPolarHBondContact O-CB 3.32Å; V257-L260 PolarHBondContact O-N 2.87Å; V257-L260 VanDerWaalsContact O-N 3.1Å; V258-L260 VanDerWaalsContact C-N 3.32Å; L260-L262 PolarHBondContact O-N 3.37Å; L260-Y263 WeakPolarHBondContact O-CB 3.45Å; L260-Y263 PolarHBondContact O-N 2.85Å
261E93.9Very high95.2Very high102 Ų10279.5 Ų79.548%0.47742%0.422SS..THydrogen-bonded Turntrans-53.3-36.5-171.1-176.1-176.4168.500114.2K265E261-K265 WeakPolarHBondContact O-CD 3.37Å; E261-K265 VanDerWaalsContact O-CE 3.25Å; E261-K265 WeakPolarHBondContact O-CE 3.24Å; E261-K265 PolarHBondContact O-NZ 3.02Å
262L96.3Very high95.2Very high47 Ų4780 Ų8025%0.24642%0.422CS..THydrogen-bonded Turntrans-99.4-4.9-175.6-54.9177.2000113.2L202 L260 G264 K265 I266L202-L262 WeakPolarHBondContact O-CB 3.37Å; L202-L262 PolarHBondContact O-N 3.11Å; L202-L262 VanDerWaalsContact O-N 3.08Å; L260-L262 PolarHBondContact O-N 3.37Å; L262-G264 PolarHBondContact O-N 2.9Å; L262-K265 HydrophobicContact CD2-CD 4.44Å; L262-K265 PolarHBondContact O-N 3.06Å; L262-I266 HydrophobicContact CB-CD1 3.75Å; L262-I266 HydrophobicContact CB-CG1 4.16Å; L262-I266 HydrophobicContact CD1-CD1 3.98Å; L262-I266 HydrophobicContact CG-CD1 4.41Å; L262-I266 PolarHBondContact O-N 3.18Å; L262-I266 VanDerWaalsContact O-N 3.14Å
263Y95.3Very high95.3Very high66 Ų6680.8 Ų80.826%0.25942%0.423SS..THydrogen-bonded Turntrans-65.8132.2172.6-170.7-99.7000109.8P251 V257 V258 L260 K265 L268P251-Y263 WeakPolarHBondContact CD-OH 3.44Å; V257-Y263 HydrophobicContact CB-CD2 4.33Å; V257-Y263 HydrophobicContact CB-CE2 4.41Å; V257-Y263 HydrophobicContact CG1-CD2 4.01Å; V257-Y263 HydrophobicContact CG1-CE1 4.22Å; V257-Y263 HydrophobicContact CG1-CE2 3.66Å; V257-Y263 HydrophobicContact CG1-CG 4.43Å; V257-Y263 HydrophobicContact CG2-CD2 3.52Å; V257-Y263 HydrophobicContact CG2-CE2 3.9Å; V257-Y263 HydrophobicContact CG2-CG 4.12Å; V257-Y263 WeakPolarHBondContact O-CB 3.44Å; V258-Y263 HydrophobicContact CB-CD1 4.44Å; V258-Y263 HydrophobicContact CB-CE1 4.49Å; V258-Y263 HydrophobicContact CG1-CD1 4.31Å; V258-Y263 HydrophobicContact CG1-CE1 3.89Å; L260-Y263 WeakPolarHBondContact O-CB 3.45Å; L260-Y263 PolarHBondContact O-N 2.85Å; Y263-K265 PolarHBondContact O-N 2.76Å; Y263-L268 HydrophobicContact CD2-CD1 3.95Å; Y263-L268 HydrophobicContact CE2-CD1 3.9Å
264G92.8Very high95.4Very high74 Ų7481.4 Ų81.476%0.76342%0.417SS*.THydrogen-bonded Turntrans78.7-12.3-171.200000115.4L262L262-G264 PolarHBondContact O-N 2.9Å
265K95.4Very high95.5Very high145 Ų14584.7 Ų84.763%0.6343%0.432SS*.THydrogen-bonded Turntrans-97.1-24.3172.5-61.3179.3-173152.70113E261 L262 Y263E261-K265 WeakPolarHBondContact O-CD 3.37Å; E261-K265 VanDerWaalsContact O-CE 3.25Å; E261-K265 WeakPolarHBondContact O-CE 3.24Å; E261-K265 PolarHBondContact O-NZ 3.02Å; L262-K265 HydrophobicContact CD2-CD 4.44Å; L262-K265 PolarHBondContact O-N 3.06Å; Y263-K265 PolarHBondContact O-N 2.76Å
266I93.2Very high95.5Very high44 Ų4481.4 Ų81.423%0.22641%0.41CS..SBendtrans-105135.2176.4-62.6177000109.2Q236 L239 L262 L268Q236-I266 HydrophobicContact CG-CG2 4.49Å; L239-I266 HydrophobicContact CD1-CD1 4.12Å; L239-I266 HydrophobicContact CD1-CG2 4.03Å; L262-I266 HydrophobicContact CB-CD1 3.75Å; L262-I266 HydrophobicContact CB-CG1 4.16Å; L262-I266 HydrophobicContact CD1-CD1 3.98Å; L262-I266 HydrophobicContact CG-CD1 4.41Å; L262-I266 PolarHBondContact O-N 3.18Å; L262-I266 VanDerWaalsContact O-N 3.14Å; I266-L268 PolarHBondContact O-N 3.08Å
267E93.4Very high95.6Very high159 Ų15980.2 Ų80.274%0.74340%0.404SS*.  trans-71.4118.1172.7-169.3178.8-175.200110.5
268L94.5Very high95.6Very high29 Ų2986.1 Ų86.115%0.15243%0.431CS..  trans-110.7136.8179.6-67.6171.3000110.2L202 L239 I249 Y263 I266 P270L202-L268 HydrophobicContact CD2-CD1 4.33Å; L239-L268 HydrophobicContact CB-CD2 4.14Å; L239-L268 HydrophobicContact CD1-CD2 4.13Å; L239-L268 HydrophobicContact CD2-CD2 4.29Å; L239-L268 HydrophobicContact CG-CD2 4.43Å; I249-L268 HydrophobicContact CB-CD1 4.24Å; I249-L268 HydrophobicContact CD1-CD2 4.39Å; I249-L268 HydrophobicContact CG2-CD1 4.38Å; Y263-L268 HydrophobicContact CD2-CD1 3.95Å; Y263-L268 HydrophobicContact CE2-CD1 3.9Å; I266-L268 PolarHBondContact O-N 3.08Å; L268-P270 WeakPolarHBondContact O-CD 3.19Å
269P91.9Very high95.6Very high29 Ų2989.5 Ų89.519%0.18844%0.435CS..  trans-61.7122.2178.8-23.634000112M240 S248 L272M240-P269 HydrophobicContact CB-CG 4.35Å; M240-P269 HydrophobicContact CG-CG 4.13Å; S248-P269 PolarHBondContact OG-O 3.25Å; P269-L272 HydrophobicContact CB-CD1 3.5Å; P269-L272 HydrophobicContact CB-CG 4.17Å; P269-L272 HydrophobicContact CG-CD1 4.34Å
270P92.8Very high95.8Very high98 Ų9884.3 Ų84.364%0.63641%0.407SS*.  trans-85.3158.5-178.434.4-35.4000112.3S248 L268 L272S248-P270 VanDerWaalsContact OG-C 3.22Å; L268-P270 WeakPolarHBondContact O-CD 3.19Å; P270-L272 VanDerWaalsContact C-N 3.26Å; P270-L272 PolarHBondContact O-N 3.4Å; P270-L272 VanDerWaalsContact O-N 3.17Å
271K94.3Very high95.8Very high201 Ų20190.4 Ų90.487%0.87443%0.433SS*.SBendtrans58.625.9169-54.5178.4-177.7178.20115.7S248S248-K271 PolarHBondContact OG-N 3.09Å; S248-K271 VanDerWaalsContact OG-N 3.09Å
272L97.4Very high96Very high62 Ų6290.2 Ų90.233%0.32544%0.441SS..PPolyproline II helixtrans-83.4128.4172.5-60.8-177.7000110.5S243 Q244 G247 S248 P269 P270S243-L272 WeakPolarHBondContact O-CD1 3.45Å; Q244-L272 HydrophobicContact CG-CD1 4.13Å; G247-L272 WeakPolarHBondContact CA-O 3.49Å; S248-L272 PolarHBondContact N-O 3.32Å; S248-L272 WeakPolarHBondContact OG-CB 3.37Å; S248-L272 PolarHBondContact OG-N 3.12Å; P269-L272 HydrophobicContact CB-CD1 3.5Å; P269-L272 HydrophobicContact CB-CG 4.17Å; P269-L272 HydrophobicContact CG-CD1 4.34Å; P270-L272 VanDerWaalsContact C-N 3.26Å; P270-L272 PolarHBondContact O-N 3.4Å; P270-L272 VanDerWaalsContact O-N 3.17Å
273K97.6Very high96.1Very high171 Ų17194.1 Ų94.174%0.74345%0.453SS*.PPolyproline II helixtrans-77.6148.6171.4-64.3-174.8178.6-176.80110.1K275K273-K275 PolarHBondContact O-N 2.73Å
274R98.3Very high96.2Very high86 Ų8691 Ų9133%0.32544%0.441SS..PPolyproline II helixtrans-64.7129.8171-176.7170.4-173.586.7-3.8110.4C246 V276 D294 L297C246-R274 WeakPolarHBondContact O-CB 3.47Å; C246-R274 VanDerWaalsContact O-CG 3.31Å; C246-R274 WeakPolarHBondContact O-CG 3.35Å; C246-R274 PolarHBondContact O-NH1 2.84Å; R274-V276 HydrophobicContact CG-CG2 4.23Å; R274-D294 IonicContact CZ-OD1 3.83Å; R274-D294 IonicContact NE-OD1 3.66Å; R274-D294 PolarHBondContact NE-OD1 3.49Å; R274-D294 PolarHBondContact NH2-O 2.91Å; R274-D294 IonicContact NH2-OD1 2.69Å; R274-D294 PolarHBondContact NH2-OD1 3.14Å; R274-L297 PolarHBondContact NH1-O 2.66Å; R274-L297 PolarHBondContact NH2-O 2.9Å
275K98.2Very high96.3Very high76 Ų7698.3 Ų98.333%0.3345%0.445SS..  trans-130.916.2-174.9-64.9-174.6-179.7-169.30113.7L245 K273 K277 E278 R279L245-K275 CarbonylContact O-C 3.53Å; L245-K275 WeakPolarHBondContact O-CA 3.11Å; L245-K275 PolarHBondContact O-N 2.89Å; K273-K275 PolarHBondContact O-N 2.73Å; K275-K277 PolarHBondContact O-N 3.3Å; K275-E278 HydrophobicContact CB-CB 4.34Å; K275-E278 PolarHBondContact O-N 2.8Å; K275-R279 HydrophobicContact CB-CG 4.04Å; K275-R279 WeakPolarHBondContact O-CB 3.41Å; K275-R279 WeakPolarHBondContact O-CG 3.14Å; K275-R279 PolarHBondContact O-N 2.93Å
276V98.5Very high96.4Very high1 Ų192.7 Ų92.71%0.00642%0.422CS..Hα-helixtrans-51.4-58.1-177.5177.70000111.3L245 R274 E278 R279 L280 I293 D294 L297L245-V276 HydrophobicContact CD1-CG2 4.49Å; L245-V276 HydrophobicContact CG-CG2 4.12Å; L245-V276 PolarHBondContact O-N 3.27Å; L245-V276 VanDerWaalsContact O-N 3.13Å; R274-V276 HydrophobicContact CG-CG2 4.23Å; V276-E278 PolarHBondContact O-N 3.05Å; V276-R279 PolarHBondContact O-N 3.15Å; V276-L280 HydrophobicContact CG1-CD1 3.97Å; V276-L280 WeakPolarHBondContact O-CB 3.09Å; V276-L280 WeakPolarHBondContact O-CG 3.45Å; V276-L280 PolarHBondContact O-N 3.45Å; V276-I293 HydrophobicContact CG1-CG2 4.1Å; V276-D294 HydrophobicContact CG1-CB 4.42Å; V276-L297 HydrophobicContact CG1-CD1 4.27Å
277K98.2Very high96.6Very high80 Ų8095.1 Ų95.135%0.34844%0.441SS..Hα-helixtrans-62.1-44179.2-64.6-177.6174.1167.70112.1K275 R279 L280 K281 L290 D291 D294K275-K277 PolarHBondContact O-N 3.3Å; K277-R279 PolarHBondContact O-N 3.22Å; K277-L280 PolarHBondContact O-N 2.98Å; K277-K281 VanDerWaalsContact O-CB 3.3Å; K277-K281 WeakPolarHBondContact O-CB 3.32Å; K277-K281 PolarHBondContact O-N 2.67Å; K277-L290 HydrophobicContact CG-CB 4.34Å; K277-D291 IonicContact NZ-OD1 3.75Å; K277-D291 PolarHBondContact NZ-OD1 3.3Å; K277-D294 HydrophobicContact CD-CB 4.45Å; K277-D294 WeakPolarHBondContact CE-OD2 3.27Å; K277-D294 HydrophobicContact CG-CB 4.16Å; K277-D294 IonicContact NZ-OD2 3.94Å; K277-D294 PolarHBondContact NZ-OD2 2.91Å
278E97.6Very high96.9Very high124 Ų12489.7 Ų89.758%0.57942%0.417SS*.Hα-helixtrans-59-48.2179.2-174.7-167.3141.300112.2K275 V276K275-E278 HydrophobicContact CB-CB 4.34Å; K275-E278 PolarHBondContact O-N 2.8Å; V276-E278 PolarHBondContact O-N 3.05Å
279R97.5Very high97.1Very high148 Ų14888.3 Ų88.356%0.55841%0.409SS*.Hα-helixtrans-70.2-33-178.6-74.8-73.1-164.5173.33.3112.8L245 K275 V276 K277 P282L245-R279 HydrophobicContact CD1-CB 3.69Å; L245-R279 HydrophobicContact CD1-CG 3.84Å; K275-R279 HydrophobicContact CB-CG 4.04Å; K275-R279 WeakPolarHBondContact O-CB 3.41Å; K275-R279 WeakPolarHBondContact O-CG 3.14Å; K275-R279 PolarHBondContact O-N 2.93Å; V276-R279 PolarHBondContact O-N 3.15Å; K277-R279 PolarHBondContact O-N 3.22Å; R279-P282 WeakPolarHBondContact O-CD 3.35Å
280L98.2Very high97.4Very high7 Ų787.8 Ų87.84%0.03741%0.405CS..Hα-helixtrans-88.6-19.4-178.6-67.8177.4000113.7A221 T225 I229 V276 K277 P282 Y283 V284 L290 I293A221-L280 HydrophobicContact CB-CD1 4.11Å; A221-L280 HydrophobicContact CB-CD2 4.2Å; T225-L280 HydrophobicContact CG2-CD2 3.89Å; I229-L280 HydrophobicContact CG2-CD2 4.49Å; V276-L280 HydrophobicContact CG1-CD1 3.97Å; V276-L280 WeakPolarHBondContact O-CB 3.09Å; V276-L280 WeakPolarHBondContact O-CG 3.45Å; V276-L280 PolarHBondContact O-N 3.45Å; K277-L280 PolarHBondContact O-N 2.98Å; L280-P282 VanDerWaalsContact C-N 3.31Å; L280-Y283 PolarHBondContact O-N 2.9Å; L280-V284 HydrophobicContact CB-CG2 4.17Å; L280-V284 PolarHBondContact O-N 3.03Å; L280-L290 HydrophobicContact CB-CD2 3.52Å; L280-I293 HydrophobicContact CD1-CB 4.41Å; L280-I293 HydrophobicContact CD1-CD1 4.15Å; L280-I293 HydrophobicContact CD1-CG2 3.56Å
281K97.3Very high97.7Very high150 Ų15085.9 Ų85.965%0.65239%0.389SS*.THydrogen-bonded Turntrans-50.7-36.6179.7-167.6174.5-175.61790115.2K277 Y283K277-K281 VanDerWaalsContact O-CB 3.3Å; K277-K281 WeakPolarHBondContact O-CB 3.32Å; K277-K281 PolarHBondContact O-N 2.67Å; K281-Y283 PolarHBondContact O-N 3.49Å
282P97.6Very high97.9Very high97 Ų9776.3 Ų76.363%0.6335%0.348SS*.THydrogen-bonded Turntrans-64.1-24.7175.3-23.735.8000114.1R279 L280R279-P282 WeakPolarHBondContact O-CD 3.35Å; L280-P282 VanDerWaalsContact C-N 3.31Å
283Y97.5Very high98Very high129 Ų12973.4 Ų73.451%0.50633%0.332SS..THydrogen-bonded Turntrans-102.5-45.3-176.5-51.4-86.3000111.9T225 L280 K281T225-Y283 HydrophobicContact CG2-CD1 4.31Å; T225-Y283 HydrophobicContact CG2-CD2 4.04Å; T225-Y283 HydrophobicContact CG2-CE2 4.4Å; T225-Y283 HydrophobicContact CG2-CG 3.99Å; L280-Y283 PolarHBondContact O-N 2.9Å; K281-Y283 PolarHBondContact O-N 3.49Å
284V97.5Very high98Very high0 Ų066.8 Ų66.80%031%0.305CS..  trans-102.6103.5-175.1-168.60000108.8W224 L280 A289 L290 I293W224-V284 HydrophobicContact CB-CG2 3.79Å; W224-V284 HydrophobicContact CD2-CB 4.33Å; W224-V284 HydrophobicContact CD2-CG1 4.08Å; W224-V284 HydrophobicContact CD2-CG2 3.66Å; W224-V284 HydrophobicContact CE3-CG1 4.38Å; W224-V284 HydrophobicContact CE3-CG2 3.8Å; W224-V284 HydrophobicContact CG-CB 4.36Å; W224-V284 HydrophobicContact CG-CG2 3.67Å; W224-V284 HydrophobicContact CH2-CG1 4.44Å; W224-V284 HydrophobicContact CZ2-CG1 4.12Å; L280-V284 HydrophobicContact CB-CG2 4.17Å; L280-V284 PolarHBondContact O-N 3.03Å; V284-A289 HydrophobicContact CG1-CB 3.51Å; V284-L290 HydrophobicContact CB-CD2 3.66Å; V284-L290 HydrophobicContact CB-CG 3.91Å; V284-L290 HydrophobicContact CG1-CD2 4.03Å; V284-L290 HydrophobicContact CG1-CG 3.84Å; V284-L290 HydrophobicContact CG2-CD2 4.19Å; V284-L290 WeakPolarHBondContact O-CD1 3.36Å; V284-I293 HydrophobicContact CG2-CD1 4.27Å
285R95.1Very high98.1Very high229 Ų22964.3 Ų64.386%0.86430%0.301SS*.  trans-82.9-25.6180-62.4-176.1-176175.10.3113.3P287R285-P287 WeakPolarHBondContact O-CD 3.33Å
286D98.1Very high98.1Very high27 Ų2760.7 Ų60.714%0.14429%0.285CS..  trans-75.4120.9-179-175.6-76000110.4L128 L288 A289 L290L128-D286 HydrophobicContact CD1-CB 4.16Å; L128-D286 HydrophobicContact CD2-CB 4.1Å; L128-D286 WeakPolarHBondContact CD2-OD2 3.01Å; D286-L288 VanDerWaalsContact C-N 3.33Å; D286-L288 PolarHBondContact O-N 3.23Å; D286-L288 WeakPolarHBondContact OD1-CA 3.38Å; D286-L288 WeakPolarHBondContact OD1-CB 3.25Å; D286-L288 PolarHBondContact OD1-N 3.22Å; D286-A289 HydrophobicContact CB-CB 3.92Å; D286-A289 PolarHBondContact O-N 3.48Å; D286-A289 PolarHBondContact OD1-N 3.44Å; D286-L290 PolarHBondContact O-N 2.92Å
287P98.1Very high98.1Very high95 Ų9560.6 Ų60.662%0.61729%0.285SS*.Hα-helixtrans-65-32.9-178.5-22.934.2000113.8R285 L290 D291R285-P287 WeakPolarHBondContact O-CD 3.33Å; P287-L290 PolarHBondContact O-N 3.24Å; P287-D291 WeakPolarHBondContact O-CB 3.36Å; P287-D291 PolarHBondContact O-N 2.73Å
288L98.7Very high98.2Very high45 Ų4558.4 Ų58.424%0.23628%0.278CS..Hα-helixtrans-74.4-33.8-179-58.1175.9000111D286 D291 L292 H313 F315 T318D286-L288 VanDerWaalsContact C-N 3.33Å; D286-L288 PolarHBondContact O-N 3.23Å; D286-L288 WeakPolarHBondContact OD1-CA 3.38Å; D286-L288 WeakPolarHBondContact OD1-CB 3.25Å; D286-L288 PolarHBondContact OD1-N 3.22Å; L288-D291 PolarHBondContact O-N 2.9Å; L288-L292 PolarHBondContact O-N 3.39Å; L288-H313 PolarHBondContact O-CE1 3.49Å; L288-H313 VanDerWaalsContact O-CE1 3.23Å; L288-F315 HydrophobicContact CB-CB 3.99Å; L288-F315 HydrophobicContact CB-CD2 4.21Å; L288-T318 HydrophobicContact CD1-CG2 3.89Å; L288-T318 WeakPolarHBondContact CD1-OG1 3.49Å
289A98.7Very high98.2Very high0 Ų052.9 Ų52.90%025%0.253CS..Hα-helixtrans-62-46.7170.200000111.2M220 W224 V284 D286 D291 L292 I293 F315M220-A289 HydrophobicContact CE-CB 4.34Å; W224-A289 HydrophobicContact CH2-CB 3.58Å; W224-A289 HydrophobicContact CZ2-CB 3.73Å; W224-A289 HydrophobicContact CZ3-CB 4.43Å; V284-A289 HydrophobicContact CG1-CB 3.51Å; D286-A289 HydrophobicContact CB-CB 3.92Å; D286-A289 PolarHBondContact O-N 3.48Å; D286-A289 PolarHBondContact OD1-N 3.44Å; A289-D291 VanDerWaalsContact C-N 3.29Å; A289-D291 PolarHBondContact O-N 3.43Å; A289-L292 PolarHBondContact O-N 3.38Å; A289-I293 VanDerWaalsContact O-CG1 3.28Å; A289-I293 WeakPolarHBondContact O-CG1 3.35Å; A289-I293 PolarHBondContact O-N 3.06Å; A289-F315 HydrophobicContact CB-CD2 3.91Å; A289-F315 HydrophobicContact CB-CE2 3.54Å; A289-F315 HydrophobicContact CB-CZ 4.24Å
290L98.7Very high98.3Very high17 Ų1746 Ų469%0.08923%0.227CC..Hα-helixtrans-60.4-39.4175.7-77.9176000112K277 L280 V284 D286 P287 D294K277-L290 HydrophobicContact CG-CB 4.34Å; L280-L290 HydrophobicContact CB-CD2 3.52Å; V284-L290 HydrophobicContact CB-CD2 3.66Å; V284-L290 HydrophobicContact CB-CG 3.91Å; V284-L290 HydrophobicContact CG1-CD2 4.03Å; V284-L290 HydrophobicContact CG1-CG 3.84Å; V284-L290 HydrophobicContact CG2-CD2 4.19Å; V284-L290 WeakPolarHBondContact O-CD1 3.36Å; D286-L290 PolarHBondContact O-N 2.92Å; P287-L290 PolarHBondContact O-N 3.24Å; L290-D294 VanDerWaalsContact O-CB 3.29Å; L290-D294 WeakPolarHBondContact O-CB 3.48Å; L290-D294 PolarHBondContact O-N 3.18Å
291D98.7Very high98.3Very high59 Ų5946.7 Ų46.732%0.31623%0.232SC..Hα-helixtrans-67.5-42.4179.1-159.955.3000113K277 P287 L288 A289 D294 S295 H313K277-D291 IonicContact NZ-OD1 3.75Å; K277-D291 PolarHBondContact NZ-OD1 3.3Å; P287-D291 WeakPolarHBondContact O-CB 3.36Å; P287-D291 PolarHBondContact O-N 2.73Å; L288-D291 PolarHBondContact O-N 2.9Å; A289-D291 VanDerWaalsContact C-N 3.29Å; A289-D291 PolarHBondContact O-N 3.43Å; D291-D294 WeakPolarHBondContact O-CB 3.4Å; D291-D294 PolarHBondContact O-N 3.35Å; D291-S295 PolarHBondContact O-N 2.83Å; D291-S295 PolarHBondContact O-OG 2.93Å; D291-H313 IonicContact OD2-CE1 2.72Å; D291-H313 IonicContact OD2-NE2 3.17Å; D291-H313 PolarHBondContact OD2-NE2 2.87Å
292L98.9Very high98.2Very high0 Ų045.1 Ų45.10%023%0.23CC..Hα-helixtrans-66.4-44.5176.3-17653.4000111.5M220 L288 A289 D294 S295 M296 I305 A310 H313 F315 F316M220-L292 HydrophobicContact CE-CB 4.02Å; M220-L292 HydrophobicContact CE-CD2 3.86Å; M220-L292 HydrophobicContact CE-CG 4.1Å; M220-L292 HydrophobicContact SD-CB 4.33Å; M220-L292 HydrophobicContact SD-CD2 3.88Å; M220-L292 HydrophobicContact SD-CG 3.9Å; L288-L292 PolarHBondContact O-N 3.39Å; A289-L292 PolarHBondContact O-N 3.38Å; L292-D294 VanDerWaalsContact C-N 3.28Å; L292-D294 PolarHBondContact O-N 3.07Å; L292-S295 PolarHBondContact O-N 2.91Å; L292-M296 HydrophobicContact CD1-CG 4.2Å; L292-M296 HydrophobicContact CD1-SD 4.18Å; L292-M296 HydrophobicContact CG-CG 4.5Å; L292-M296 HydrophobicContact CG-SD 3.99Å; L292-M296 VanDerWaalsContact O-CG 3.26Å; L292-M296 WeakPolarHBondContact O-CG 3.48Å; L292-M296 PolarHBondContact O-N 3.17Å; L292-I305 HydrophobicContact CD1-CD1 4.07Å; L292-A310 HydrophobicContact CD1-CB 4.01Å; L292-H313 HydrophobicContact CD1-CB 4.05Å; L292-H313 HydrophobicContact CD2-CB 4.39Å; L292-F315 HydrophobicContact CD2-CB 4.3Å; L292-F315 HydrophobicContact CD2-CD1 3.84Å; L292-F315 HydrophobicContact CD2-CG 4.39Å; L292-F316 HydrophobicContact CD2-CE2 3.61Å; L292-F316 HydrophobicContact CD2-CZ 3.82Å
293I98.9Very high98.3Very high0 Ų047.3 Ų47.30%023%0.232CC..Hα-helixtrans-59-43.1175-65.9164.1000110.5M220 A221 W224 V276 L280 V284 A289 S295 M296 L297M220-I293 HydrophobicContact CB-CG1 4.06Å; M220-I293 HydrophobicContact CE-CG1 4.07Å; M220-I293 HydrophobicContact CG-CD1 4.11Å; M220-I293 HydrophobicContact CG-CG1 3.58Å; M220-I293 HydrophobicContact SD-CG1 3.87Å; A221-I293 HydrophobicContact CB-CD1 4.35Å; A221-I293 HydrophobicContact CB-CG2 4.3Å; W224-I293 HydrophobicContact CE3-CD1 4.16Å; W224-I293 HydrophobicContact CZ3-CD1 3.83Å; V276-I293 HydrophobicContact CG1-CG2 4.1Å; L280-I293 HydrophobicContact CD1-CB 4.41Å; L280-I293 HydrophobicContact CD1-CD1 4.15Å; L280-I293 HydrophobicContact CD1-CG2 3.56Å; V284-I293 HydrophobicContact CG2-CD1 4.27Å; A289-I293 VanDerWaalsContact O-CG1 3.28Å; A289-I293 WeakPolarHBondContact O-CG1 3.35Å; A289-I293 PolarHBondContact O-N 3.06Å; I293-S295 VanDerWaalsContact C-N 3.31Å; I293-S295 PolarHBondContact O-N 2.85Å; I293-M296 PolarHBondContact O-N 2.64Å; I293-L297 HydrophobicContact CG2-CD1 3.72Å; I293-L297 HydrophobicContact CG2-CG 4.25Å; I293-L297 WeakPolarHBondContact O-CB 3.38Å; I293-L297 WeakPolarHBondContact O-CG 3.48Å; I293-L297 PolarHBondContact O-N 3.29Å
294D98.8Very high98.3Very high32 Ų3241.7 Ų41.717%0.17121%0.209CC..Hα-helixtrans-60-42.7178.3-165.636.2000111.6R274 V276 K277 L290 D291 L292 L297R274-D294 IonicContact CZ-OD1 3.83Å; R274-D294 IonicContact NE-OD1 3.66Å; R274-D294 PolarHBondContact NE-OD1 3.49Å; R274-D294 PolarHBondContact NH2-O 2.91Å; R274-D294 IonicContact NH2-OD1 2.69Å; R274-D294 PolarHBondContact NH2-OD1 3.14Å; V276-D294 HydrophobicContact CG1-CB 4.42Å; K277-D294 HydrophobicContact CD-CB 4.45Å; K277-D294 WeakPolarHBondContact CE-OD2 3.27Å; K277-D294 HydrophobicContact CG-CB 4.16Å; K277-D294 IonicContact NZ-OD2 3.94Å; K277-D294 PolarHBondContact NZ-OD2 2.91Å; L290-D294 VanDerWaalsContact O-CB 3.29Å; L290-D294 WeakPolarHBondContact O-CB 3.48Å; L290-D294 PolarHBondContact O-N 3.18Å; D291-D294 WeakPolarHBondContact O-CB 3.4Å; D291-D294 PolarHBondContact O-N 3.35Å; L292-D294 VanDerWaalsContact C-N 3.28Å; L292-D294 PolarHBondContact O-N 3.07Å; D294-L297 PolarHBondContact O-N 2.59Å
295S98.8Very high98.4Very high34 Ų3442.8 Ų42.824%0.23822%0.215CC..Hα-helixtrans-68.9-31.3177.9-58.80000113.6D291 L292 I293 T298 I305D291-S295 PolarHBondContact O-N 2.83Å; D291-S295 PolarHBondContact O-OG 2.93Å; L292-S295 PolarHBondContact O-N 2.91Å; I293-S295 VanDerWaalsContact C-N 3.31Å; I293-S295 PolarHBondContact O-N 2.85Å; S295-T298 PolarHBondContact O-OG1 2.89Å; S295-T298 VanDerWaalsContact O-OG1 3.13Å; S295-I305 PolarHBondContact O-N 2.86Å
296M98.9Very high98.6Very high0 Ų034.5 Ų34.50%019%0.188CC..Hα-helixtrans-79.2-27.4176.7-65.3174.586.100112.9M135 L139 I213 A216 M220 L292 I293 T298 R304 I305M135-M296 HydrophobicContact CE-CE 4.47Å; L139-M296 HydrophobicContact CD2-CE 3.9Å; I213-M296 HydrophobicContact CG2-CB 4.19Å; I213-M296 HydrophobicContact CG2-CE 3.91Å; I213-M296 HydrophobicContact CG2-CG 3.99Å; A216-M296 HydrophobicContact CB-CE 3.37Å; M220-M296 HydrophobicContact SD-SD 3.96Å; L292-M296 HydrophobicContact CD1-CG 4.2Å; L292-M296 HydrophobicContact CD1-SD 4.18Å; L292-M296 HydrophobicContact CG-CG 4.5Å; L292-M296 HydrophobicContact CG-SD 3.99Å; L292-M296 VanDerWaalsContact O-CG 3.26Å; L292-M296 WeakPolarHBondContact O-CG 3.48Å; L292-M296 PolarHBondContact O-N 3.17Å; I293-M296 PolarHBondContact O-N 2.64Å; M296-T298 VanDerWaalsContact C-N 3.35Å; M296-R304 WeakPolarHBondContact O-CD 3.49Å; M296-R304 VanDerWaalsContact O-CG 3.32Å; M296-R304 WeakPolarHBondContact O-CG 3.43Å; M296-I305 HydrophobicContact CB-CG2 4.31Å; M296-I305 HydrophobicContact CG-CG2 3.55Å
297L98.9Very high98.6Very high0 Ų033.4 Ų33.40%018%0.183CC..THydrogen-bonded Turntrans-97.830.5177.9-62.1-179.2000112.5W214 I229 R274 V276 I293 D294W214-L297 HydrophobicContact CD2-CD2 4.07Å; W214-L297 HydrophobicContact CE3-CD2 4.12Å; W214-L297 HydrophobicContact CH2-CD2 4.4Å; W214-L297 HydrophobicContact CZ2-CD2 4.35Å; W214-L297 HydrophobicContact CZ3-CB 4.31Å; W214-L297 HydrophobicContact CZ3-CD2 4.29Å; I229-L297 HydrophobicContact CD1-CD1 3.85Å; R274-L297 PolarHBondContact NH1-O 2.66Å; R274-L297 PolarHBondContact NH2-O 2.9Å; V276-L297 HydrophobicContact CG1-CD1 4.27Å; I293-L297 HydrophobicContact CG2-CD1 3.72Å; I293-L297 HydrophobicContact CG2-CG 4.25Å; I293-L297 WeakPolarHBondContact O-CB 3.38Å; I293-L297 WeakPolarHBondContact O-CG 3.48Å; I293-L297 PolarHBondContact O-N 3.29Å; D294-L297 PolarHBondContact O-N 2.59Å
298T98.8Very high98.6Very high34 Ų3432.6 Ų32.621%0.20917%0.173CC..  trans-71133.7171.6-60.40000110S295 M296 Q303 R304S295-T298 PolarHBondContact O-OG1 2.89Å; S295-T298 VanDerWaalsContact O-OG1 3.13Å; M296-T298 VanDerWaalsContact C-N 3.35Å; T298-Q303 HydrophobicContact CG2-CB 3.84Å; T298-R304 PolarHBondContact O-NE 2.98Å; T298-R304 PolarHBondContact O-NH2 3.27Å; T298-R304 VanDerWaalsContact O-NH2 3.15Å
299L98.6Very high98.6Very high7 Ų736.5 Ų36.54%0.03719%0.188CC..SBendtrans-63.9-54.9-176.5-69173.9000111.3P198 I242 C246 I249 W254 P301 R304P198-L299 HydrophobicContact CG-CD2 4.14Å; I242-L299 HydrophobicContact CG2-CD2 3.73Å; C246-L299 HydrophobicContact CB-CD2 3.65Å; C246-L299 HydrophobicContact CB-CG 4.05Å; I249-L299 HydrophobicContact CG1-CD1 4.04Å; I249-L299 HydrophobicContact CG1-CD2 4.04Å; W254-L299 HydrophobicContact CE3-CB 4.37Å; L299-P301 WeakPolarHBondContact O-CD 3.06Å; L299-R304 PolarHBondContact O-NH2 2.88Å
300D98.5Very high98.6Very high5 Ų536.5 Ų36.53%0.02719%0.188CC..SBendtrans-66.5116.1175.9-176.4-8.2000110.6W254 L302 Q303 R304W254-D300 HydrophobicContact CB-CB 4.03Å; W254-D300 VanDerWaalsContact CD1-CG 3.47Å; W254-D300 HydrophobicContact CD2-CB 4.39Å; W254-D300 HydrophobicContact CG-CB 3.79Å; D300-L302 PolarHBondContact O-N 2.78Å; D300-L302 WeakPolarHBondContact OD1-CB 3.12Å; D300-L302 PolarHBondContact OD1-N 2.86Å; D300-Q303 HydrophobicContact CB-CB 4.18Å; D300-Q303 HydrophobicContact CB-CG 4.11Å; D300-Q303 PolarHBondContact O-N 3.22Å; D300-Q303 VanDerWaalsContact O-N 3.12Å; D300-R304 PolarHBondContact O-N 3.14Å
301P98.2Very high98.6Very high20 Ų2037 Ų3713%0.1319%0.191CC..THydrogen-bonded Turntrans-62.8-22179.226.3-34.5000113.7E199 A210 W254 L299E199-P301 HydrophobicContact CB-CG 4.41Å; E199-P301 HydrophobicContact CG-CG 4.41Å; A210-P301 HydrophobicContact CB-CB 3.74Å; W254-P301 VanDerWaalsContact CZ2-CD 3.42Å; W254-P301 HydrophobicContact CZ2-CG 4.05Å; L299-P301 WeakPolarHBondContact O-CD 3.06Å
302L97Very high98.6Very high118 Ų11839 Ų3962%0.61820%0.202SC*.THydrogen-bonded Turntrans-77.5-25.3176.7-61.9178.4000112.8D300D300-L302 PolarHBondContact O-N 2.78Å; D300-L302 WeakPolarHBondContact OD1-CB 3.12Å; D300-L302 PolarHBondContact OD1-N 2.86Å
303Q98.2Very high98.6Very high142 Ų14240.2 Ų40.266%0.66421%0.207SC*.THydrogen-bonded Turntrans-96.8-12176.8-59.4-60.6-3000112.4T298 D300T298-Q303 HydrophobicContact CG2-CB 3.84Å; D300-Q303 HydrophobicContact CB-CB 4.18Å; D300-Q303 HydrophobicContact CB-CG 4.11Å; D300-Q303 PolarHBondContact O-N 3.22Å; D300-Q303 VanDerWaalsContact O-N 3.12Å
304R98.7Very high98.6Very high11 Ų1143.3 Ų43.34%0.04223%0.229CC..SBendtrans-64.7135.7175-162.9178.8-59.9145.67.2109.8E199 A210 I213 M296 T298 L299 D300E199-R304 IonicContact OE1-CZ 2.8Å; E199-R304 IonicContact OE1-NH1 3.67Å; E199-R304 PolarHBondContact OE1-NH1 2.9Å; E199-R304 IonicContact OE1-NH2 2.87Å; E199-R304 PolarHBondContact OE1-NH2 3.09Å; E199-R304 IonicContact OE2-CZ 3.34Å; E199-R304 IonicContact OE2-NH1 2.83Å; E199-R304 IonicContact OE2-NH2 3.99Å; E199-R304 PolarHBondContact OE2-NH2 3.09Å; A210-R304 VanDerWaalsContact C-NH1 3.33Å; A210-R304 PolarHBondContact O-NH1 3.42Å; I213-R304 HydrophobicContact CG2-CG 4.48Å; M296-R304 WeakPolarHBondContact O-CD 3.49Å; M296-R304 VanDerWaalsContact O-CG 3.32Å; M296-R304 WeakPolarHBondContact O-CG 3.43Å; T298-R304 PolarHBondContact O-NE 2.98Å; T298-R304 PolarHBondContact O-NH2 3.27Å; T298-R304 VanDerWaalsContact O-NH2 3.15Å; L299-R304 PolarHBondContact O-NH2 2.88Å; D300-R304 PolarHBondContact O-N 3.14Å
305I98.8Very high98.6Very high23 Ų2341.8 Ų41.812%0.11822%0.221CC..PPolyproline II helixtrans-57.6144.4178-160.7169.2000110.1I213 L292 S295 M296 K309 A310I213-I305 HydrophobicContact CG2-CG2 4.15Å; I213-I305 VanDerWaalsContact CG2-O 3.25Å; I213-I305 WeakPolarHBondContact CG2-O 3.47Å; L292-I305 HydrophobicContact CD1-CD1 4.07Å; S295-I305 PolarHBondContact O-N 2.86Å; M296-I305 HydrophobicContact CB-CG2 4.31Å; M296-I305 HydrophobicContact CG-CG2 3.55Å; I305-K309 HydrophobicContact CD1-CB 3.97Å; I305-K309 HydrophobicContact CG1-CB 3.48Å; I305-K309 VanDerWaalsContact CG1-CB 3.48Å; I305-A310 HydrophobicContact CD1-CB 4.06Å; I305-A310 HydrophobicContact CG1-CB 4.26Å; I305-A310 HydrophobicContact CG2-CB 4.33Å
306D98.8Very high98.6Very high55 Ų5540.4 Ų40.429%0.29421%0.21SC..PPolyproline II helixtrans-93.3172.9171.860.947.5000110.8D308 K309 A310D306-D308 VanDerWaalsContact C-N 3.29Å; D306-D308 PolarHBondContact O-N 2.91Å; D306-D308 PolarHBondContact OD1-N 3.1Å; D306-D308 VanDerWaalsContact OD1-N 3.1Å; D306-K309 WeakPolarHBondContact OD1-CB 3.23Å; D306-K309 WeakPolarHBondContact OD1-CG 3.43Å; D306-K309 PolarHBondContact OD1-N 2.87Å; D306-K309 WeakPolarHBondContact OD2-CD 3.25Å; D306-K309 WeakPolarHBondContact OD2-CE 3.36Å; D306-K309 IonicContact OD2-NZ 3.24Å; D306-A310 WeakPolarHBondContact O-CB 3.27Å; D306-A310 PolarHBondContact O-N 3.21Å
307A98.7Very high98.6Very high4 Ų447.7 Ų47.73%0.03324%0.238CC..Hα-helixtrans-62.6-34.3-17800000113.1L142 I213 L311L142-A307 HydrophobicContact CB-CB 4.34Å; I213-A307 HydrophobicContact CD1-CB 3.9Å; A307-L311 VanDerWaalsContact O-CG 3.26Å; A307-L311 WeakPolarHBondContact O-CG 3.26Å; A307-L311 PolarHBondContact O-N 3.26Å
308D98.6Very high98.6Very high78 Ų7850.6 Ų50.642%0.41726%0.256SS..Hα-helixtrans-70.7-50.6-178.4-179.341.7000111.1Y143 D306 A310 L311 N312Y143-D308 HydrophobicContact CD2-CB 3.96Å; Y143-D308 HydrophobicContact CE2-CB 3.89Å; D306-D308 VanDerWaalsContact C-N 3.29Å; D306-D308 PolarHBondContact O-N 2.91Å; D306-D308 PolarHBondContact OD1-N 3.1Å; D306-D308 VanDerWaalsContact OD1-N 3.1Å; D308-A310 VanDerWaalsContact C-N 3.26Å; D308-A310 PolarHBondContact O-N 3.29Å; D308-L311 PolarHBondContact O-N 3.44Å; D308-N312 PolarHBondContact O-N 3.22Å; D308-N312 VanDerWaalsContact O-N 3.13Å; D308-N312 PolarHBondContact O-ND2 3.06Å; D308-N312 PolarHBondContact OD1-ND2 3.22Å
309K98.8Very high98.5Very high128 Ų12855.1 Ų55.156%0.55728%0.279SS*.Hα-helixtrans-60.2-38.8173.9-69.2174.6-172.4167.60111.5I305 D306 N312 H313I305-K309 HydrophobicContact CD1-CB 3.97Å; I305-K309 HydrophobicContact CG1-CB 3.48Å; I305-K309 VanDerWaalsContact CG1-CB 3.48Å; D306-K309 WeakPolarHBondContact OD1-CB 3.23Å; D306-K309 WeakPolarHBondContact OD1-CG 3.43Å; D306-K309 PolarHBondContact OD1-N 2.87Å; D306-K309 WeakPolarHBondContact OD2-CD 3.25Å; D306-K309 WeakPolarHBondContact OD2-CE 3.36Å; D306-K309 IonicContact OD2-NZ 3.24Å; K309-N312 CarbonylContact O-C 3.55Å; K309-N312 PolarHBondContact O-N 3.49Å; K309-H313 PolarHBondContact O-N 3.17Å
310A98.9Very high98.5Very high0 Ų057.8 Ų57.80%030%0.297CS..Hα-helixtrans-63.8-43.3176.900000111.8L139 L292 I305 D306 D308 N312 H313 F316L139-A310 HydrophobicContact CD1-CB 3.72Å; L139-A310 HydrophobicContact CD2-CB 3.98Å; L139-A310 HydrophobicContact CG-CB 4.46Å; L292-A310 HydrophobicContact CD1-CB 4.01Å; I305-A310 HydrophobicContact CD1-CB 4.06Å; I305-A310 HydrophobicContact CG1-CB 4.26Å; I305-A310 HydrophobicContact CG2-CB 4.33Å; D306-A310 WeakPolarHBondContact O-CB 3.27Å; D306-A310 PolarHBondContact O-N 3.21Å; D308-A310 VanDerWaalsContact C-N 3.26Å; D308-A310 PolarHBondContact O-N 3.29Å; A310-N312 PolarHBondContact O-N 3.43Å; A310-H313 WeakPolarHBondContact O-CB 3.27Å; A310-H313 PolarHBondContact O-N 2.86Å; A310-F316 WeakPolarHBondContact O-CD2 3.48Å; A310-F316 WeakPolarHBondContact O-CE2 3.35Å
311L98.8Very high98.4Very high26 Ų2661.5 Ų61.514%0.13632%0.315CS..Hα-helixtrans-63.3-29.4176-75.4166.9000113.2K136 L139 E140 Y143 A307 D308 H313 W317K136-L311 HydrophobicContact CG-CD2 4.11Å; L139-L311 HydrophobicContact CB-CD1 4.43Å; L139-L311 HydrophobicContact CB-CD2 3.64Å; L139-L311 HydrophobicContact CB-CG 3.81Å; E140-L311 HydrophobicContact CG-CD1 4.14Å; E140-L311 HydrophobicContact CG-CD2 3.82Å; Y143-L311 HydrophobicContact CG-CD1 4.42Å; A307-L311 VanDerWaalsContact O-CG 3.26Å; A307-L311 WeakPolarHBondContact O-CG 3.26Å; A307-L311 PolarHBondContact O-N 3.26Å; D308-L311 PolarHBondContact O-N 3.44Å; L311-H313 VanDerWaalsContact C-N 3.31Å; L311-W317 PolarHBondContact O-NE1 3.47Å
312N98.7Very high98.5Very high103 Ų10361.9 Ų61.955%0.55132%0.317SS*.THydrogen-bonded Turntrans-86.61.7175.5-70.2-70.6000113.6D308 K309 A310D308-N312 PolarHBondContact O-N 3.22Å; D308-N312 VanDerWaalsContact O-N 3.13Å; D308-N312 PolarHBondContact O-ND2 3.06Å; D308-N312 PolarHBondContact OD1-ND2 3.22Å; K309-N312 CarbonylContact O-C 3.55Å; K309-N312 PolarHBondContact O-N 3.49Å; A310-N312 PolarHBondContact O-N 3.43Å
313H98.9Very high98.5Very high24 Ų2458.8 Ų58.811%0.11131%0.305CS..SBendtrans-68139.7178.7-172.1-90.1000111.7L288 D291 L292 K309 A310 L311 F315 F316L288-H313 PolarHBondContact O-CE1 3.49Å; L288-H313 VanDerWaalsContact O-CE1 3.23Å; D291-H313 IonicContact OD2-CE1 2.72Å; D291-H313 IonicContact OD2-NE2 3.17Å; D291-H313 PolarHBondContact OD2-NE2 2.87Å; L292-H313 HydrophobicContact CD1-CB 4.05Å; L292-H313 HydrophobicContact CD2-CB 4.39Å; K309-H313 PolarHBondContact O-N 3.17Å; A310-H313 WeakPolarHBondContact O-CB 3.27Å; A310-H313 PolarHBondContact O-N 2.86Å; L311-H313 VanDerWaalsContact C-N 3.31Å; H313-F315 WeakPolarHBondContact ND1-CB 3.32Å; H313-F315 PolarHBondContact ND1-N 2.96Å; H313-F315 VanDerWaalsContact ND1-N 3.14Å; H313-F315 PolarHBondContact O-N 3.4Å; H313-F316 PolarHBondContact O-N 3.16Å
314S98.7Very high98.4Very high65 Ų6555.6 Ų55.646%0.45530%0.298SS..G310 helixtrans-53.1-23.8-176.6-54.90000114.5F316 W317 T318S314-F316 PolarHBondContact O-N 3.44Å; S314-W317 CarbonylContact O-C 3.58Å; S314-W317 PolarHBondContact O-N 2.92Å; S314-T318 VanDerWaalsContact O-CB 3.32Å; S314-T318 WeakPolarHBondContact O-CB 3.39Å; S314-T318 PolarHBondContact O-N 3.26Å; S314-T318 PolarHBondContact O-OG1 2.79Å
315F98.8Very high98.2Very high0 Ų055.1 Ų55.10%030%0.297CS..G310 helixtrans-49.6-41.3172.8176.9-115000112.8L128 K132 M220 W224 L288 A289 L292 H313L128-F315 HydrophobicContact CD1-CE2 3.93Å; L128-F315 HydrophobicContact CD1-CZ 4.4Å; K132-F315 HydrophobicContact CB-CE1 4.21Å; K132-F315 HydrophobicContact CB-CZ 4.23Å; K132-F315 HydrophobicContact CD-CE2 4.2Å; K132-F315 HydrophobicContact CD-CZ 4.31Å; K132-F315 VanDerWaalsContact CD-O 3.29Å; K132-F315 WeakPolarHBondContact CD-O 3.5Å; K132-F315 WeakPolarHBondContact CE-O 3.37Å; K132-F315 HydrophobicContact CG-CD1 4.08Å; K132-F315 HydrophobicContact CG-CD2 4.18Å; K132-F315 HydrophobicContact CG-CE1 3.5Å; K132-F315 HydrophobicContact CG-CE2 3.58Å; K132-F315 HydrophobicContact CG-CG 4.41Å; K132-F315 HydrophobicContact CG-CZ 3.23Å; K132-F315 PolarHBondContact NZ-O 3.07Å; M220-F315 HydrophobicContact CE-CD1 3.96Å; M220-F315 HydrophobicContact CE-CE1 3.59Å; M220-F315 HydrophobicContact CE-CE2 4.46Å; M220-F315 HydrophobicContact CE-CZ 3.87Å; W224-F315 HydrophobicContact CH2-CZ 4.14Å; L288-F315 HydrophobicContact CB-CB 3.99Å; L288-F315 HydrophobicContact CB-CD2 4.21Å; A289-F315 HydrophobicContact CB-CD2 3.91Å; A289-F315 HydrophobicContact CB-CE2 3.54Å; A289-F315 HydrophobicContact CB-CZ 4.24Å; L292-F315 HydrophobicContact CD2-CB 4.3Å; L292-F315 HydrophobicContact CD2-CD1 3.84Å; L292-F315 HydrophobicContact CD2-CG 4.39Å; H313-F315 WeakPolarHBondContact ND1-CB 3.32Å; H313-F315 PolarHBondContact ND1-N 2.96Å; H313-F315 VanDerWaalsContact ND1-N 3.14Å; H313-F315 PolarHBondContact O-N 3.4Å
316F98.7Very high97.8Very high5 Ų559.8 Ų59.82%0.02232%0.316CS..G310 helixtrans-84.3-11.3-179-60.2-63.8000114.2K132 M135 K136 L139 L292 A310 H313 S314 P322K132-F316 HydrophobicContact CB-CD1 4.38Å; K132-F316 VanDerWaalsContact O-CE1 3.26Å; K132-F316 WeakPolarHBondContact O-CE1 3.49Å; M135-F316 HydrophobicContact CB-CE1 3.9Å; M135-F316 HydrophobicContact CB-CZ 3.91Å; K136-F316 HydrophobicContact CB-CD1 3.9Å; K136-F316 HydrophobicContact CB-CE1 3.84Å; L139-F316 HydrophobicContact CD1-CE2 3.66Å; L139-F316 HydrophobicContact CD1-CZ 3.63Å; L292-F316 HydrophobicContact CD2-CE2 3.61Å; L292-F316 HydrophobicContact CD2-CZ 3.82Å; A310-F316 WeakPolarHBondContact O-CD2 3.48Å; A310-F316 WeakPolarHBondContact O-CE2 3.35Å; H313-F316 PolarHBondContact O-N 3.16Å; S314-F316 PolarHBondContact O-N 3.44Å; F316-P322 VanDerWaalsContact O-CD 3.25Å; F316-P322 WeakPolarHBondContact O-CD 3.27Å
317W98.4Very high97.2Very high154 Ų15466.3 Ų66.358%0.58334%0.337SS*.THydrogen-bonded Turntrans-122.612.8-170.3-54.6102000113.4L311 S314 M321L311-W317 PolarHBondContact O-NE1 3.47Å; S314-W317 CarbonylContact O-C 3.58Å; S314-W317 PolarHBondContact O-N 2.92Å; W317-M321 HydrophobicContact CE3-CE 4.23Å
318T98.3Very high96.8Very high60 Ų6066.6 Ų66.637%0.36834%0.337SS..SBendtrans-122.3143.8177-53.60000109.2K132 L288 S314 P320K132-T318 PolarHBondContact NZ-O 3.27Å; L288-T318 HydrophobicContact CD1-CG2 3.89Å; L288-T318 WeakPolarHBondContact CD1-OG1 3.49Å; S314-T318 VanDerWaalsContact O-CB 3.32Å; S314-T318 WeakPolarHBondContact O-CB 3.39Å; S314-T318 PolarHBondContact O-N 3.26Å; S314-T318 PolarHBondContact O-OG1 2.79Å; T318-P320 CarbonylContact O-C 3.58Å
319D97.9Very high96.2Very high130 Ų13062.9 Ų62.970%0.69532%0.317SS*.SBendtrans-62.1144.7178.9-81.4-39.6000113.3M321D319-M321 WeakPolarHBondContact OD1-CG 3.38Å; D319-M321 PolarHBondContact OD1-N 2.77Å
320P97.6Very high95.3Very high63 Ų6360.3 Ų60.341%0.40932%0.315SS..SBendcis-70.3135.6-6.230-34.4000111.1L128 K132 T318L128-P320 HydrophobicContact CB-CG 4.06Å; L128-P320 HydrophobicContact CD2-CG 3.68Å; L128-P320 HydrophobicContact CG-CG 3.93Å; K132-P320 WeakPolarHBondContact CD-O 3.49Å; K132-P320 VanDerWaalsContact CE-O 3.31Å; K132-P320 WeakPolarHBondContact CE-O 3.43Å; K132-P320 PolarHBondContact NZ-O 2.68Å; T318-P320 CarbonylContact O-C 3.58Å
321M98.3Very high94.4Very high82 Ų8266.5 Ų66.540%0.40434%0.344SS..PPolyproline II helixtrans-63.8158.6176.6-68.8-61-77.100112.4G129 W317 D319 C323G129-M321 WeakPolarHBondContact CA-O 3.34Å; W317-M321 HydrophobicContact CE3-CE 4.23Å; D319-M321 WeakPolarHBondContact OD1-CG 3.38Å; D319-M321 PolarHBondContact OD1-N 2.77Å; M321-C323 PolarHBondContact O-N 2.99Å
322P98.3Very high93.5Very high28 Ų2867 Ų6718%0.18235%0.346CS..PPolyproline II helixtrans-49.6136.1169-21.328.1000111.6G129 K132 E133 K136 F316G129-P322 WeakPolarHBondContact O-CA 3.31Å; K132-P322 HydrophobicContact CB-CB 4.09Å; K132-P322 HydrophobicContact CB-CG 4Å; E133-P322 HydrophobicContact CB-CB 4.25Å; E133-P322 WeakPolarHBondContact OE2-CB 3.44Å; K136-P322 HydrophobicContact CD-CB 4.46Å; K136-P322 HydrophobicContact CD-CG 4.32Å; F316-P322 VanDerWaalsContact O-CD 3.25Å; F316-P322 WeakPolarHBondContact O-CD 3.27Å
323C97.1Very high92.2Very high53 Ų5367.8 Ų67.836%0.35836%0.355SS..  trans-136.7155.5-178.374.30000113G129 E133 M321 L325G129-C323 PolarHBondContact O-N 3.21Å; E133-C323 WeakPolarHBondContact CB-O 3.12Å; E133-C323 WeakPolarHBondContact CG-O 3.42Å; M321-C323 PolarHBondContact O-N 2.99Å; C323-L325 PolarHBondContact O-N 3.2Å
324S96.3Very high91.3Very high76 Ų7670.8 Ų70.853%0.53138%0.378SS..  trans-62132.2-171.7-176.90000113.4K326S324-K326 PolarHBondContact O-N 2.73Å; S324-K326 WeakPolarHBondContact OG-CB 3.4Å; S324-K326 PolarHBondContact OG-N 3.1Å
325L95.4Very high90.4Very high1 Ų169.3 Ų69.31%0.00537%0.368CS..THydrogen-bonded Turntrans-74.7-9.3174.5-47.9176.9000113.5E130 E133 V134 L162 C323 R327 M328 L329E130-L325 HydrophobicContact CB-CD2 3.47Å; E130-L325 VanDerWaalsContact CB-CD2 3.47Å; E130-L325 HydrophobicContact CG-CD2 3.82Å; E130-L325 WeakPolarHBondContact O-CD2 3.39Å; E133-L325 HydrophobicContact CB-CD2 4.23Å; E133-L325 HydrophobicContact CG-CD2 4.42Å; E133-L325 HydrophobicContact CG-CG 4.16Å; V134-L325 HydrophobicContact CG2-CD1 3.55Å; V134-L325 HydrophobicContact CG2-CD2 3.91Å; V134-L325 HydrophobicContact CG2-CG 4.38Å; L162-L325 HydrophobicContact CD2-CD1 3.49Å; L162-L325 VanDerWaalsContact CD2-CD1 3.49Å; C323-L325 PolarHBondContact O-N 3.2Å; L325-R327 VanDerWaalsContact C-N 3.28Å; L325-R327 PolarHBondContact O-N 2.88Å; L325-M328 PolarHBondContact O-N 3.09Å; L325-L329 HydrophobicContact CB-CD1 3.86Å; L325-L329 HydrophobicContact CB-CG 4.33Å; L325-L329 WeakPolarHBondContact O-CB 3.32Å; L325-L329 WeakPolarHBondContact O-CG 3.43Å; L325-L329 PolarHBondContact O-N 2.83Å
326K89.3Confident89.4Confident120 Ų12070.3 Ų70.352%0.52237%0.373SS..Hα-helixtrans-57.3-40.9-170.7-175.2178.6-178.9-178.40112.2S324 S330S324-K326 PolarHBondContact O-N 2.73Å; S324-K326 WeakPolarHBondContact OG-CB 3.4Å; S324-K326 PolarHBondContact OG-N 3.1Å; K326-S330 WeakPolarHBondContact O-CB 3.4Å; K326-S330 PolarHBondContact O-N 3.32Å; K326-S330 PolarHBondContact O-OG 2.8Å
327R87.7Confident88.3Confident193 Ų19370.8 Ų70.873%0.72838%0.375SS*.Hα-helixtrans-65.1-52.5-178.8-172.6178.2116.6166.11.8111.1L325 L329 S330L325-R327 VanDerWaalsContact C-N 3.28Å; L325-R327 PolarHBondContact O-N 2.88Å; R327-L329 PolarHBondContact O-N 3.26Å; R327-S330 PolarHBondContact O-N 2.83Å; R327-S330 PolarHBondContact O-OG 2.94Å
328M89.5Confident87.5Confident9 Ų967.6 Ų67.64%0.04437%0.367CS..Hα-helixtrans-60.7-45.3178.9177.1-80.3-69.600111.4V124 F126 E130 L325 S330 Q331 H332V124-M328 HydrophobicContact CG1-SD 3.82Å; F126-M328 HydrophobicContact CD1-CE 3.66Å; F126-M328 HydrophobicContact CE1-CE 3.26Å; F126-M328 HydrophobicContact CG-CE 4.49Å; F126-M328 HydrophobicContact CZ-CE 3.8Å; E130-M328 WeakPolarHBondContact OE1-CB 3.36Å; L325-M328 PolarHBondContact O-N 3.09Å; M328-S330 PolarHBondContact O-N 3.38Å; M328-Q331 WeakPolarHBondContact O-CB 3.45Å; M328-Q331 PolarHBondContact O-N 3.23Å; M328-H332 PolarHBondContact O-CD2 2.83Å; M328-H332 VanDerWaalsContact O-CD2 3.22Å
329L86.8Confident86.3Confident1 Ų169.9 Ų69.91%0.00537%0.369CS..Hα-helixtrans-69.8-31.4-179.7-66.1172.7000113.3L118 L162 T163 L325 R327 Q331 H332L118-L329 HydrophobicContact CD1-CD2 4Å; L118-L329 HydrophobicContact CD2-CD2 4.13Å; L162-L329 HydrophobicContact CB-CD1 4.49Å; L162-L329 HydrophobicContact CD2-CD1 4.39Å; T163-L329 WeakPolarHBondContact O-CD1 3.44Å; L325-L329 HydrophobicContact CB-CD1 3.86Å; L325-L329 HydrophobicContact CB-CG 4.33Å; L325-L329 WeakPolarHBondContact O-CB 3.32Å; L325-L329 WeakPolarHBondContact O-CG 3.43Å; L325-L329 PolarHBondContact O-N 2.83Å; R327-L329 PolarHBondContact O-N 3.26Å; L329-Q331 PolarHBondContact O-N 2.96Å; L329-H332 PolarHBondContact O-N 2.83Å
330S79.1Confident85.1Confident73 Ų7367.3 Ų67.351%0.5136%0.355SS..Hα-helixtrans-64.4-23177.169.50000113.8K326 R327 M328 H332K326-S330 WeakPolarHBondContact O-CB 3.4Å; K326-S330 PolarHBondContact O-N 3.32Å; K326-S330 PolarHBondContact O-OG 2.8Å; R327-S330 PolarHBondContact O-N 2.83Å; R327-S330 PolarHBondContact O-OG 2.94Å; M328-S330 PolarHBondContact O-N 3.38Å; S330-H332 PolarHBondContact O-N 3.42Å
331Q79.8Confident83.8Confident130 Ų13066 Ų6661%0.60735%0.349SS*.THydrogen-bonded Turntrans-75.4-14.2176-63.3174.2-5.500112.2M328 L329M328-Q331 WeakPolarHBondContact O-CB 3.45Å; M328-Q331 PolarHBondContact O-N 3.23Å; L329-Q331 PolarHBondContact O-N 2.96Å
332H79.3Confident81.8Confident36 Ų3667.7 Ų67.717%0.16737%0.366CS..  trans-105.192.2-178-66.6-56.6000110.8M328 L329 S330 S334 M336M328-H332 PolarHBondContact O-CD2 2.83Å; M328-H332 VanDerWaalsContact O-CD2 3.22Å; L329-H332 PolarHBondContact O-N 2.83Å; S330-H332 PolarHBondContact O-N 3.42Å; H332-S334 VanDerWaalsContact C-N 3.35Å; H332-S334 PolarHBondContact O-N 3.07Å; H332-M336 HydrophobicContact CB-CE 3.42Å; H332-M336 VanDerWaalsContact CB-CE 3.42Å
333T71.8Confident79.5Confident121 Ų12174.3 Ų74.374%0.74240%0.399SS*.  trans-73.7-24.7-175.153.80000113.9
334S79.9Confident77.1Confident87 Ų8780.3 Ų80.361%0.60842%0.415SS*.SBendtrans-93.7137.2177.3-64.20000111.7H113 H332 M336H113-S334 PolarHBondContact CE1-O 3.44Å; H332-S334 VanDerWaalsContact C-N 3.35Å; H332-S334 PolarHBondContact O-N 3.07Å; S334-M336 PolarHBondContact O-N 3.06Å
335S79.5Confident74.4Confident33 Ų3388.4 Ų88.423%0.23143%0.433CS..  trans-57.7133.8170.1-74.40000110.6E112E112-S335 WeakPolarHBondContact O-CA 3.44Å; E112-S335 WeakPolarHBondContact O-CB 3.47Å; E112-S335 PolarHBondContact O-OG 3.33Å; E112-S335 VanDerWaalsContact O-OG 3.1Å
336M79.3Confident71.4Confident21 Ų2198.8 Ų98.810%0.10348%0.479CS..BIsolated β-bridgetrans-115.799.2180-76.1-176-9200108.5E112 H113 D114 L118 N121 V124 H332 S334E112-M336 PolarHBondContact O-N 2.8Å; H113-M336 WeakPolarHBondContact CA-O 3.28Å; H113-M336 PolarHBondContact ND1-N 2.85Å; D114-M336 PolarHBondContact N-O 3.5Å; D114-M336 VanDerWaalsContact N-O 3.09Å; L118-M336 HydrophobicContact CD2-CB 4.24Å; L118-M336 HydrophobicContact CD2-CE 3.29Å; L118-M336 HydrophobicContact CD2-SD 3.86Å; N121-M336 HydrophobicContact CB-SD 3.78Å; N121-M336 PolarHBondContact ND2-SD 3.07Å; V124-M336 HydrophobicContact CG2-CE 3.69Å; V124-M336 HydrophobicContact CG2-SD 3.63Å; H332-M336 HydrophobicContact CB-CE 3.42Å; H332-M336 VanDerWaalsContact CB-CE 3.42Å; S334-M336 PolarHBondContact O-N 3.06Å
337F75.2Confident69Low16 Ų1696.9 Ų96.97%0.0749%0.493CS..  trans-111.7142170.9-60.6-75.5000110V30 F110 C111 D114 Y339 L340 A341V30-F337 HydrophobicContact CB-CD2 3.9Å; V30-F337 HydrophobicContact CB-CE2 3.87Å; V30-F337 HydrophobicContact CB-CG 4.39Å; V30-F337 HydrophobicContact CB-CZ 4.35Å; V30-F337 HydrophobicContact CG1-CD2 3.99Å; V30-F337 HydrophobicContact CG1-CE2 3.72Å; V30-F337 HydrophobicContact CG1-CZ 4.46Å; F110-F337 HydrophobicContact CE2-CE2 4.23Å; F110-F337 AromaticContact CE2-CZ 3.86Å; F110-F337 HydrophobicContact CE2-CZ 3.86Å; F110-F337 AromaticContact CZ-CE2 3.81Å; F110-F337 HydrophobicContact CZ-CE2 3.81Å; F110-F337 AromaticContact CZ-CZ 3.65Å; F110-F337 HydrophobicContact CZ-CZ 3.65Å; C111-F337 VanDerWaalsContact O-CZ 3.22Å; C111-F337 WeakPolarHBondContact O-CZ 3.41Å; D114-F337 HydrophobicContact CB-CD1 4.2Å; D114-F337 WeakPolarHBondContact OD2-CA 3.4Å; D114-F337 WeakPolarHBondContact OD2-CB 3.5Å; D114-F337 WeakPolarHBondContact OD2-CD1 3.49Å; F337-Y339 PolarHBondContact O-N 2.88Å; F337-L340 HydrophobicContact CB-CD1 4.41Å; F337-L340 HydrophobicContact CB-CG 4.26Å; F337-L340 HydrophobicContact CD2-CD1 3.9Å; F337-L340 PolarHBondContact O-N 3.48Å; F337-A341 PolarHBondContact O-N 2.94Å
338E81.1Confident66.5Low87 Ų8789.7 Ų89.741%0.40748%0.475SS..G310 helixtrans-53-40.6174.5-179-175.6-157.800110.8D114 A116 A158 L340 A341D114-E338 PolarHBondContact OD2-N 3.03Å; A116-E338 HydrophobicContact CB-CB 3.9Å; A116-E338 HydrophobicContact CB-CG 4.27Å; A158-E338 WeakPolarHBondContact CB-OE2 3.4Å; E338-L340 PolarHBondContact O-N 3.38Å; E338-L340 VanDerWaalsContact O-N 3.14Å; E338-A341 WeakPolarHBondContact O-CB 3.49Å; E338-A341 PolarHBondContact O-N 3.11Å
339Y73.4Confident64.2Low107 Ų10793.1 Ų93.142%0.4251%0.505SS..G310 helixtrans-57.5-29177.6-176.1-95000113.8K29 V30 Q32 F337K29-Y339 WeakPolarHBondContact CE-OH 3.28Å; K29-Y339 HydrophobicContact CG-CE1 4.19Å; V30-Y339 WeakPolarHBondContact O-CB 3.2Å; Q32-Y339 HydrophobicContact CB-CD2 4.36Å; Q32-Y339 HydrophobicContact CB-CE2 3.71Å; F337-Y339 PolarHBondContact O-N 2.88Å
340L71.9Confident62.3Low76 Ų7696.4 Ų96.440%0.39853%0.526SS..G310 helixtrans-95.6-7.5179.2-59.3179.7000112.7F337 E338F337-L340 HydrophobicContact CB-CD1 4.41Å; F337-L340 HydrophobicContact CB-CG 4.26Å; F337-L340 HydrophobicContact CD2-CD1 3.9Å; F337-L340 PolarHBondContact O-N 3.48Å; E338-L340 PolarHBondContact O-N 3.38Å; E338-L340 VanDerWaalsContact O-N 3.14Å
341A71.1Confident60.6Low35 Ų3594.3 Ų94.329%0.28951%0.511SS..SBendtrans-73.9139.7-177.300000110.9F337 E338 L343F337-A341 PolarHBondContact O-N 2.94Å; E338-A341 WeakPolarHBondContact O-CB 3.49Å; E338-A341 PolarHBondContact O-N 3.11Å; A341-L343 PolarHBondContact O-N 3.01Å
342P55.1Low58.7Low118 Ų11893.4 Ų93.477%0.76652%0.516SS*.  trans-58.7125.3171.2-19.429.9000110R344P342-R344 PolarHBondContact O-N 2.91Å
343L50.9Low57.1Low167 Ų16794.9 Ų94.987%0.87453%0.528SS*.  trans-52.3106.1174.6-78.9154000109.5A341 R345A341-L343 PolarHBondContact O-N 3.01Å; L343-R345 PolarHBondContact O-N 3.25Å
344R47.2Very low55.6Low180 Ų18093.8 Ų93.868%0.67951%0.514SS*.  trans-65.4133.1172.9-89.8-176.2161.6-175.1-7.8109.2P342P342-R344 PolarHBondContact O-N 2.91Å
345R38.1Very low53.6Low245 Ų24597 Ų9793%0.92552%0.52SS*.SBendtrans-35.2129.1-176.9-81.1176.4169.7171.5-3.8114.5L343L343-R345 PolarHBondContact O-N 3.25Å
346K33.9Very low51.7Low219 Ų21998.4 Ų98.495%0.95252%0.524SS*.SBendtrans23.890.8149-63.8-175177.9-176.50116.1
347G37.6Very low49.5Very low80 Ų80101.2 Ų101.283%0.82554%0.544SS*.SBendtrans-154.9-48.3165.600000113.1
348A36.4Very low47.6Very low42 Ų42106.3 Ų106.335%0.34757%0.568SS.*  trans-160.2125.2166.300000107.4W194W194-A348 HydrophobicContact CZ2-CB 4.26Å
349A40.7Very low45.3Very low82 Ų82106.9 Ų106.968%0.67858%0.579SS**PPolyproline II helixtrans-61.9141.5160.300000106.9
350P46.6Very low43.4Very low69 Ų69111.1 Ų111.145%0.44860%0.6SS.*PPolyproline II helixtrans-50.1132.7167.721-29.5000107.6W194W194-P350 HydrophobicContact CH2-CB 4.18Å; W194-P350 HydrophobicContact CZ3-CB 4.25Å
351P44.2Very low41.5Very low30 Ų30114.9 Ų114.920%0.19562%0.615CS.*PPolyproline II helixtrans-53.4134.3-176.320.1-31.6000106.7L193 W194 V353L193-P351 HydrophobicContact CB-CG 4.43Å; W194-P351 HydrophobicContact CD2-CG 4.26Å; W194-P351 HydrophobicContact CG-CG 4.45Å; W194-P351 HydrophobicContact CZ2-CG 4.35Å; P351-V353 PolarHBondContact O-N 2.76Å; P351-V353 VanDerWaalsContact O-N 3.11Å
352P39.4Very low39.5Very low111 Ų111121.5 Ų121.572%0.72164%0.64SS**PPolyproline II helixtrans-51.7130.1176.721.8-30.9000106.6Q354P352-Q354 VanDerWaalsContact C-N 3.31Å; P352-Q354 PolarHBondContact O-N 3.41Å
353V45Very low38.4Very low66 Ų66119.5 Ų119.540%0.464%0.641SS.*  trans-58.5106.4177.7-161.90000105.5T34 P351 Q355T34-V353 WeakPolarHBondContact OG1-CB 3.24Å; T34-V353 WeakPolarHBondContact OG1-CG1 3.09Å; P351-V353 PolarHBondContact O-N 2.76Å; P351-V353 VanDerWaalsContact O-N 3.11Å; V353-Q355 PolarHBondContact O-N 2.94Å
354Q41Very low37.7Very low98 Ų98119.1 Ų119.146%0.45863%0.63SS.*  trans-62115.8-172.6-82.9174.6-3.500106R189 P352 L356R189-Q354 VanDerWaalsContact NH2-CD 3.27Å; P352-Q354 VanDerWaalsContact C-N 3.31Å; P352-Q354 PolarHBondContact O-N 3.41Å; Q354-L356 PolarHBondContact O-N 2.91Å
355Q37.8Very low37.1Very low155 Ų155116.7 Ų116.772%0.72463%0.626SS**  trans-53.7113.5166.9-73.8-179.35.900105.7V353V353-Q355 PolarHBondContact O-N 2.94Å
356L39.2Very low37Very low62 Ų62107.7 Ų107.733%0.32560%0.596SS.*PPolyproline II helixtrans-49.7129.3170.5-91.4157.4000106.7L175 T187 R189 Q354 Q358L175-L356 HydrophobicContact CD2-CD1 3.48Å; L175-L356 VanDerWaalsContact CD2-CD1 3.48Å; T187-L356 HydrophobicContact CG2-CD2 4.07Å; R189-L356 HydrophobicContact CB-CD2 4.47Å; R189-L356 WeakPolarHBondContact O-CD2 3.37Å; Q354-L356 PolarHBondContact O-N 2.91Å; L356-Q358 PolarHBondContact O-N 3.12Å; L356-Q358 VanDerWaalsContact O-N 3.15Å
357P33.4Very low36.7Very low80 Ų80105.4 Ų105.452%0.51958%0.581SS.*PPolyproline II helixtrans-51.9128.6162-16.328.2000106.2P359P357-P359 VanDerWaalsContact O-N 3.08Å
358Q36.2Very low36.4Very low123 Ų123105.9 Ų105.958%0.57557%0.568SS**PPolyproline II helixtrans-47.4125.5164.3-81.6179.1-7.900105.8N59 L356 K360N59-Q358 PolarHBondContact O-NE2 3.29Å; L356-Q358 PolarHBondContact O-N 3.12Å; L356-Q358 VanDerWaalsContact O-N 3.15Å; Q358-K360 PolarHBondContact O-N 3.3Å
359P32.5Very low36.2Very low99 Ų99114.3 Ų114.364%0.64360%0.597SS**  trans-53.8115.7-177.419.3-29000106.8P357 Q361P357-P359 VanDerWaalsContact O-N 3.08Å; P359-Q361 PolarHBondContact O-N 2.57Å
360K32.2Very low36Very low197 Ų197116 Ų11686%0.85759%0.593SS**  trans-53.9119.4163.5-80.9-173.7175.7-177.50104.2Q358 E362Q358-K360 PolarHBondContact O-N 3.3Å; K360-E362 PolarHBondContact O-N 3.24Å
361Q32.1Very low35.4Very low154 Ų154118.4 Ų118.472%0.7260%0.601SS**  trans-61.980.5177.7-76.5176.1-6.200108.6P359 G363P359-Q361 PolarHBondContact O-N 2.57Å; Q361-G363 PolarHBondContact O-N 2.81Å
362E30Very low34.9Very low174 Ų174123.3 Ų123.381%0.81362%0.624SS**SBendtrans-79.486.4153.1-76.2-174.9173.500106K360 Y364K360-E362 PolarHBondContact O-N 3.24Å; E362-Y364 PolarHBondContact O-N 3.22Å
363G32.5Very low34.7Very low77 Ų77124.1 Ų124.179%0.79462%0.618SS**SBendtrans63.3-9158.800000119.3Q361 Q365Q361-G363 PolarHBondContact O-N 2.81Å; G363-Q365 PolarHBondContact O-N 2.77Å
364Y35.6Very low34Very low159 Ų159127.7 Ų127.762%0.62463%0.632SS**  trans-96.697.8-173.6-143.2-95.9000110.9H184 E362 D366H184-Y364 PolarHBondContact ND1-OH 2.73Å; E362-Y364 PolarHBondContact O-N 3.22Å; Y364-D366 PolarHBondContact O-N 3.36Å
365Q33.9Very low33.5Very low128 Ų128129.7 Ų129.760%0.59864%0.643SS**  trans-62.6106.6166.2-68.1-178.9-22.700107.7G363 R367G363-Q365 PolarHBondContact O-N 2.77Å; Q365-R367 HydrophobicContact CB-CG 3.8Å; Q365-R367 PolarHBondContact O-N 3.22Å
366D35.8Very low33.2Very low57 Ų57127.9 Ų127.931%0.30564%0.637SS.*  trans-61.570156.9-103.8-26.8000107I66 R70 R177 Y364 V368I66-D366 HydrophobicContact CD1-CB 3.57Å; R70-D366 IonicContact NH2-OD1 3.09Å; R70-D366 IonicContact NH2-OD2 2.69Å; R70-D366 PolarHBondContact NH2-OD2 3.07Å; R177-D366 IonicContact CZ-OD1 3.92Å; R177-D366 IonicContact NH1-OD1 3.49Å; R177-D366 PolarHBondContact NH1-OD1 2.68Å; R177-D366 IonicContact NH2-OD1 2.7Å; R177-D366 PolarHBondContact NH2-OD1 2.84Å; R177-D366 IonicContact NH2-OD2 3.82Å; R177-D366 PolarHBondContact NH2-OD2 3.5Å; R177-D366 VanDerWaalsContact NH2-OD2 3.09Å; Y364-D366 PolarHBondContact O-N 3.36Å; D366-V368 VanDerWaalsContact C-N 3.32Å; D366-V368 PolarHBondContact O-N 3.31Å
367R29.1Very low32.8Very low170 Ų170132.9 Ų132.964%0.64266%0.661SS**  trans-70.397.8170.3-69.9-164.8-174.1-174.23.2106.3Q365 F369Q365-R367 HydrophobicContact CB-CG 3.8Å; Q365-R367 PolarHBondContact O-N 3.22Å; R367-F369 VanDerWaalsContact C-N 3.26Å; R367-F369 HydrophobicContact CB-CE2 4.43Å; R367-F369 PolarHBondContact O-N 3Å
368V30.9Very low32.7Very low90 Ų90137.3 Ų137.355%0.54567%0.673SS.*  trans-64.198.9156.2-174.20000105.2I66 D366I66-V368 HydrophobicContact CD1-CG2 4.11Å; I66-V368 HydrophobicContact CG1-CG2 4.31Å; D366-V368 VanDerWaalsContact C-N 3.32Å; D366-V368 PolarHBondContact O-N 3.31Å
369F32Very low32.4Very low220 Ų220138.6 Ų138.697%0.96568%0.682SS**  trans-65.80157.6-73.6-83000109.3K73 R367K73-F369 PolarHBondContact NZ-O 3.11Å; R367-F369 VanDerWaalsContact C-N 3.26Å; R367-F369 HydrophobicContact CB-CE2 4.43Å; R367-F369 PolarHBondContact O-N 3Å

Retrieved 369 of 369 residues in 276.4 ms (Link to these results)

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