A0A077Z444_TRITR Loading...

Splicing factor U2AF 35 kDa subunit

AlphaFold DB , UniProt , Accession A0A077Z444, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 220 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
1M68.7Low78.9Confident174 Ų17487.6 Ų87.686%0.85748%0.481SS*.  0-53.90-16360.417600111.8E3 Y4 L5M1-E3 PolarHBondContact O-N 2.99Å; M1-Y4 PolarHBondContact O-N 3.24Å; M1-L5 HydrophobicContact CE-CD2 4.37Å; M1-L5 HydrophobicContact CG-CD1 4.23Å; M1-L5 WeakPolarHBondContact O-CG 3.28Å; M1-L5 PolarHBondContact O-N 3.44Å
2A77.7Confident79.2Confident80 Ų8091.7 Ų91.766%0.66149%0.494SS*.Hα-helixtrans-57.3-44.3-179.900000114Y4 L5 A6A2-Y4 PolarHBondContact O-N 3.27Å; A2-L5 PolarHBondContact O-N 2.95Å; A2-A6 WeakPolarHBondContact O-CB 3.49Å; A2-A6 PolarHBondContact O-N 3.44Å
3E83.7Confident79.6Confident173 Ų17396.6 Ų96.681%0.80851%0.508SS*.Hα-helixtrans-60.9-43177.8-66176.7166.500112.8M1 A6 S7M1-E3 PolarHBondContact O-N 2.99Å; E3-A6 PolarHBondContact O-N 2.68Å; E3-S7 WeakPolarHBondContact O-CB 3.47Å; E3-S7 PolarHBondContact O-N 3.06Å
4Y80.1Confident80.1Confident137 Ų13790.2 Ų90.254%0.53748%0.475SS..Hα-helixtrans-62.5-45.7175.8177.5-103.6000111.1M1 A2 A6 S7 I8M1-Y4 PolarHBondContact O-N 3.24Å; A2-Y4 PolarHBondContact O-N 3.27Å; Y4-A6 PolarHBondContact O-N 3.39Å; Y4-S7 PolarHBondContact O-N 2.89Å; Y4-S7 VanDerWaalsContact O-N 3.15Å; Y4-S7 PolarHBondContact O-OG 3.42Å; Y4-I8 HydrophobicContact CD1-CD1 4.34Å; Y4-I8 HydrophobicContact CD2-CG2 4.49Å; Y4-I8 HydrophobicContact CE1-CD1 3.84Å; Y4-I8 HydrophobicContact CE1-CG2 4.32Å; Y4-I8 HydrophobicContact CE2-CG2 4Å; Y4-I8 PolarHBondContact O-N 3.11Å; Y4-I8 VanDerWaalsContact O-N 3.15Å
5L75.5Confident80.7Confident88 Ų8896.5 Ų96.546%0.46150%0.496SS..Hα-helixtrans-61.1-43177.6-68176.2000112M1 A2 S7 I8 F9M1-L5 HydrophobicContact CE-CD2 4.37Å; M1-L5 HydrophobicContact CG-CD1 4.23Å; M1-L5 WeakPolarHBondContact O-CG 3.28Å; M1-L5 PolarHBondContact O-N 3.44Å; A2-L5 PolarHBondContact O-N 2.95Å; L5-S7 VanDerWaalsContact C-N 3.31Å; L5-S7 PolarHBondContact O-N 3.46Å; L5-I8 HydrophobicContact CD2-CD1 4.24Å; L5-I8 WeakPolarHBondContact O-CG1 3.43Å; L5-I8 PolarHBondContact O-N 2.94Å; L5-F9 PolarHBondContact O-N 3.41Å; L5-F9 VanDerWaalsContact O-N 3.1Å
6A77.7Confident81.5Confident75 Ų7595.7 Ų95.762%0.6250%0.497SS*.Hα-helixtrans-62-38.6174.800000111.9A2 E3 Y4 I8A2-A6 WeakPolarHBondContact O-CB 3.49Å; A2-A6 PolarHBondContact O-N 3.44Å; E3-A6 PolarHBondContact O-N 2.68Å; Y4-A6 PolarHBondContact O-N 3.39Å; A6-I8 VanDerWaalsContact C-N 3.31Å; A6-I8 PolarHBondContact O-N 3.41Å
7S80.6Confident82.2Confident80 Ų8091.2 Ų91.256%0.55947%0.474SS*.Hα-helixtrans-69.8-24.5179.777.20000114.4E3 Y4 L5E3-S7 WeakPolarHBondContact O-CB 3.47Å; E3-S7 PolarHBondContact O-N 3.06Å; Y4-S7 PolarHBondContact O-N 2.89Å; Y4-S7 VanDerWaalsContact O-N 3.15Å; Y4-S7 PolarHBondContact O-OG 3.42Å; L5-S7 VanDerWaalsContact C-N 3.31Å; L5-S7 PolarHBondContact O-N 3.46Å
8I82.8Confident83Confident17 Ų1786.4 Ų86.49%0.08745%0.45CS..Hα-helixtrans-98.2-15.3179.665.8173.3000113Y4 L5 A6 G10 T11 K13 D14Y4-I8 HydrophobicContact CD1-CD1 4.34Å; Y4-I8 HydrophobicContact CD2-CG2 4.49Å; Y4-I8 HydrophobicContact CE1-CD1 3.84Å; Y4-I8 HydrophobicContact CE1-CG2 4.32Å; Y4-I8 HydrophobicContact CE2-CG2 4Å; Y4-I8 PolarHBondContact O-N 3.11Å; Y4-I8 VanDerWaalsContact O-N 3.15Å; L5-I8 HydrophobicContact CD2-CD1 4.24Å; L5-I8 WeakPolarHBondContact O-CG1 3.43Å; L5-I8 PolarHBondContact O-N 2.94Å; A6-I8 VanDerWaalsContact C-N 3.31Å; A6-I8 PolarHBondContact O-N 3.41Å; I8-G10 PolarHBondContact O-N 3.32Å; I8-T11 VanDerWaalsContact O-CB 3.3Å; I8-T11 WeakPolarHBondContact O-CB 3.31Å; I8-T11 WeakPolarHBondContact O-CG2 3.24Å; I8-T11 PolarHBondContact O-N 3.15Å; I8-T11 PolarHBondContact O-OG1 3.15Å; I8-K13 HydrophobicContact CB-CB 4.21Å; I8-K13 HydrophobicContact CG2-CB 4.05Å; I8-D14 WeakPolarHBondContact O-CB 3.49Å
9F80.6Confident83.6Confident94 Ų9482.1 Ų82.141%0.41243%0.427SS..THydrogen-bonded Turntrans-54.8130.1-175.6-174.2-99.6000111.9L5 T11 N17 F22L5-F9 PolarHBondContact O-N 3.41Å; L5-F9 VanDerWaalsContact O-N 3.1Å; F9-T11 PolarHBondContact O-N 3.1Å; F9-T11 VanDerWaalsContact O-N 3.15Å; F9-N17 WeakPolarHBondContact CD2-ND2 3.34Å; F9-N17 HydrophobicContact CE2-CB 4.44Å; F9-N17 VanDerWaalsContact CE2-ND2 3.29Å; F9-N17 WeakPolarHBondContact CE2-ND2 3.02Å; F9-F22 HydrophobicContact CD1-CE2 4.18Å; F9-F22 HydrophobicContact CD1-CZ 4.28Å; F9-F22 AromaticContact CE1-CD2 3.95Å; F9-F22 HydrophobicContact CE1-CD2 3.95Å; F9-F22 AromaticContact CE1-CE2 3.51Å; F9-F22 HydrophobicContact CE1-CE2 3.51Å; F9-F22 HydrophobicContact CE1-CZ 4.05Å; F9-F22 HydrophobicContact CZ-CE2 4.4Å
10G78.1Confident84.1Confident2 Ų280.2 Ų80.22%0.02142%0.416CS..THydrogen-bonded Turntrans72.9-2.1-178.600000115.3I8 S19 F22 K23I8-G10 PolarHBondContact O-N 3.32Å; G10-S19 WeakPolarHBondContact O-CB 3.24Å; G10-F22 VanDerWaalsContact CA-CD1 3.48Å; G10-K23 WeakPolarHBondContact O-CE 3.46Å
11T82.9Confident84.7Confident44 Ų4476.8 Ų76.827%0.2740%0.398SS..SBendtrans-91.2166.6173.478.90000111.3I8 F9 K13 D14I8-T11 VanDerWaalsContact O-CB 3.3Å; I8-T11 WeakPolarHBondContact O-CB 3.31Å; I8-T11 WeakPolarHBondContact O-CG2 3.24Å; I8-T11 PolarHBondContact O-N 3.15Å; I8-T11 PolarHBondContact O-OG1 3.15Å; F9-T11 PolarHBondContact O-N 3.1Å; F9-T11 VanDerWaalsContact O-N 3.15Å; T11-K13 PolarHBondContact O-N 3.46Å; T11-K13 VanDerWaalsContact O-N 3.16Å; T11-K13 PolarHBondContact OG1-N 3.43Å; T11-D14 VanDerWaalsContact O-CB 3.27Å; T11-D14 WeakPolarHBondContact O-CB 3.36Å; T11-D14 PolarHBondContact O-N 3.44Å
12E82Confident85.9Confident136 Ų13672 Ų7264%0.63637%0.372SS*.THydrogen-bonded Turntrans-64.8-16.9175.4-62.1-180174.100113.6D14E12-D14 VanDerWaalsContact C-N 3.29Å
13K84.4Confident86.7Confident156 Ų15671.3 Ų71.368%0.67835%0.354SS*.THydrogen-bonded Turntrans-77.2-18.3174.4-61.6-177.5-178.9177.60112.1I8 T11 K15I8-K13 HydrophobicContact CB-CB 4.21Å; I8-K13 HydrophobicContact CG2-CB 4.05Å; T11-K13 PolarHBondContact O-N 3.46Å; T11-K13 VanDerWaalsContact O-N 3.16Å; T11-K13 PolarHBondContact OG1-N 3.43Å; K13-K15 PolarHBondContact O-N 3.04Å
14D87.2Confident87.3Confident7 Ų763.1 Ų63.14%0.03732%0.316CS..  trans-68114169.9-162.9-24.8000109.4I8 T11 E12 V16 N17I8-D14 WeakPolarHBondContact O-CB 3.49Å; T11-D14 VanDerWaalsContact O-CB 3.27Å; T11-D14 WeakPolarHBondContact O-CB 3.36Å; T11-D14 PolarHBondContact O-N 3.44Å; E12-D14 VanDerWaalsContact C-N 3.29Å; D14-V16 WeakPolarHBondContact OD1-CA 3.46Å; D14-V16 WeakPolarHBondContact OD1-CB 3.29Å; D14-V16 PolarHBondContact OD1-N 3.21Å; D14-N17 PolarHBondContact OD1-N 2.86Å; D14-N17 VanDerWaalsContact OD2-CB 3.31Å; D14-N17 WeakPolarHBondContact OD2-CB 3.4Å; D14-N17 PolarHBondContact OD2-ND2 3.03Å
15K89.2Confident88.1Confident184 Ų18456.6 Ų56.680%0.829%0.291SS*.SBendtrans-88.9-10.1177.9-63.9-172.6179.8-178.10112.6K13K13-K15 PolarHBondContact O-N 3.04Å
16V92.9Very high89.2Confident84 Ų8453 Ų5351%0.50927%0.273SS..SBendtrans-98.6-51.4-176.8178.60000110.4D14 R35 I36D14-V16 WeakPolarHBondContact OD1-CA 3.46Å; D14-V16 WeakPolarHBondContact OD1-CB 3.29Å; D14-V16 PolarHBondContact OD1-N 3.21Å; V16-R35 WeakPolarHBondContact O-CA 3.44Å; V16-R35 WeakPolarHBondContact O-CB 3.27Å; V16-I36 HydrophobicContact CG1-CD1 3.83Å; V16-I36 HydrophobicContact CG1-CG1 4.46Å; V16-I36 PolarHBondContact O-N 2.72Å
17N94.1Very high90.1Very high20 Ų2050 Ų5011%0.10725%0.247CC..BIsolated β-bridgetrans-95.3144.3-175.9-53.5-68.8000112F9 D14 S19 R35 N38F9-N17 WeakPolarHBondContact CD2-ND2 3.34Å; F9-N17 HydrophobicContact CE2-CB 4.44Å; F9-N17 VanDerWaalsContact CE2-ND2 3.29Å; F9-N17 WeakPolarHBondContact CE2-ND2 3.02Å; D14-N17 PolarHBondContact OD1-N 2.86Å; D14-N17 VanDerWaalsContact OD2-CB 3.31Å; D14-N17 WeakPolarHBondContact OD2-CB 3.4Å; D14-N17 PolarHBondContact OD2-ND2 3.03Å; N17-S19 PolarHBondContact O-N 3.36Å; N17-R35 WeakPolarHBondContact O-CD 3.3Å; N17-N38 PolarHBondContact OD1-ND2 3.02Å
18C96Very high90.8Very high5 Ų551.3 Ų51.33%0.03424%0.24CC..  trans-74.5108.6177.2-175.30000110.6F20 Y21 F22 R35 I36 H37C18-F20 VanDerWaalsContact C-N 3.28Å; C18-F20 PolarHBondContact O-N 3.05Å; C18-Y21 PolarHBondContact O-N 2.9Å; C18-Y21 PolarHBondContact SG-N 3.15Å; C18-F22 WeakPolarHBondContact O-CB 3.48Å; C18-F22 PolarHBondContact O-N 3.25Å; C18-R35 HydrophobicContact CB-CB 3.85Å; C18-I36 PolarHBondContact N-O 3.22Å; C18-H37 WeakPolarHBondContact CB-CD2 3.46Å
19S93.3Very high91.4Very high3 Ų355.5 Ų55.52%0.02126%0.259CS..Hα-helixtrans-57.5-37176.657.40000113.6G10 N17 K23G10-S19 WeakPolarHBondContact O-CB 3.24Å; N17-S19 PolarHBondContact O-N 3.36Å; S19-K23 WeakPolarHBondContact O-CB 3.49Å; S19-K23 WeakPolarHBondContact O-CG 3.36Å; S19-K23 PolarHBondContact O-N 2.64Å; S19-K23 VanDerWaalsContact O-N 3.08Å
20F94.7Very high92.1Very high45 Ų4552.6 Ų52.620%0.19726%0.256CS..Hα-helixtrans-69.9-47.7178.2-71.4-63.3000112C18 F22 K23 I24 A26 N170 F171C18-F20 VanDerWaalsContact C-N 3.28Å; C18-F20 PolarHBondContact O-N 3.05Å; F20-F22 VanDerWaalsContact C-N 3.28Å; F20-F22 PolarHBondContact O-N 3.16Å; F20-K23 PolarHBondContact O-N 3.02Å; F20-I24 VanDerWaalsContact O-CB 3.22Å; F20-I24 WeakPolarHBondContact O-CB 3.44Å; F20-I24 VanDerWaalsContact O-CG1 3.29Å; F20-I24 WeakPolarHBondContact O-CG1 3.4Å; F20-I24 PolarHBondContact O-N 2.76Å; F20-A26 CarbonylContact C-O 3.57Å; F20-N170 HydrophobicContact CD1-CB 3.47Å; F20-N170 VanDerWaalsContact CD1-CB 3.47Å; F20-N170 HydrophobicContact CE1-CB 3.59Å; F20-N170 WeakPolarHBondContact CE1-ND2 3.31Å; F20-N170 WeakPolarHBondContact CE2-ND2 3.46Å; F20-N170 HydrophobicContact CG-CB 4.12Å; F20-N170 HydrophobicContact CZ-CB 4.31Å; F20-N170 WeakPolarHBondContact CZ-ND2 3.48Å; F20-F171 HydrophobicContact CE1-CE2 4.38Å; F20-F171 HydrophobicContact CE1-CZ 4.47Å
21Y96.4Very high92.8Very high9 Ų958.9 Ų58.94%0.03529%0.289CS..Hα-helixtrans-60-42176.6-176.1-94.3000111.2C18 K23 G25 H37 N38 R39 P146C18-Y21 PolarHBondContact O-N 2.9Å; C18-Y21 PolarHBondContact SG-N 3.15Å; Y21-K23 PolarHBondContact O-N 2.96Å; Y21-G25 VanDerWaalsContact CE2-O 3.25Å; Y21-G25 WeakPolarHBondContact CE2-O 3.06Å; Y21-G25 WeakPolarHBondContact O-CA 3.49Å; Y21-G25 PolarHBondContact O-N 2.82Å; Y21-H37 VanDerWaalsContact CB-CD2 3.4Å; Y21-H37 WeakPolarHBondContact CB-CD2 3.42Å; Y21-H37 HydrophobicContact CD1-CB 3.67Å; Y21-H37 HydrophobicContact CD2-CB 4.07Å; Y21-H37 AromaticContact CD2-CG 3.76Å; Y21-H37 AromaticContact CD2-ND1 3.82Å; Y21-H37 HydrophobicContact CE1-CB 3.92Å; Y21-H37 HydrophobicContact CE2-CB 4.3Å; Y21-H37 HydrophobicContact CG-CB 3.76Å; Y21-H37 AromaticContact CG-CD2 3.67Å; Y21-H37 AromaticContact CG-CG 3.56Å; Y21-N38 WeakPolarHBondContact CE1-O 3.47Å; Y21-R39 WeakPolarHBondContact OH-CG 3.42Å; Y21-P146 HydrophobicContact CD1-CG 4.28Å; Y21-P146 HydrophobicContact CE1-CG 3.96Å; Y21-P146 WeakPolarHBondContact O-CG 3.46Å
22F94.3Very high93.5Very high74 Ų7466.2 Ų66.233%0.32532%0.317SS..Hα-helixtrans-59.6-46.2177-179.5-102.5000112.7F9 G10 C18 F20F9-F22 HydrophobicContact CD1-CE2 4.18Å; F9-F22 HydrophobicContact CD1-CZ 4.28Å; F9-F22 AromaticContact CE1-CD2 3.95Å; F9-F22 HydrophobicContact CE1-CD2 3.95Å; F9-F22 AromaticContact CE1-CE2 3.51Å; F9-F22 HydrophobicContact CE1-CE2 3.51Å; F9-F22 HydrophobicContact CE1-CZ 4.05Å; F9-F22 HydrophobicContact CZ-CE2 4.4Å; G10-F22 VanDerWaalsContact CA-CD1 3.48Å; C18-F22 WeakPolarHBondContact O-CB 3.48Å; C18-F22 PolarHBondContact O-N 3.25Å; F20-F22 VanDerWaalsContact C-N 3.28Å; F20-F22 PolarHBondContact O-N 3.16Å
23K94.8Very high94.1Very high65 Ų6560.9 Ų60.928%0.28329%0.294SS..Hα-helixtrans-80.3-28.5-175.9-70.9-176.2178.3-168.60114.6G10 S19 F20 Y21 V147 A153G10-K23 WeakPolarHBondContact O-CE 3.46Å; S19-K23 WeakPolarHBondContact O-CB 3.49Å; S19-K23 WeakPolarHBondContact O-CG 3.36Å; S19-K23 PolarHBondContact O-N 2.64Å; S19-K23 VanDerWaalsContact O-N 3.08Å; F20-K23 PolarHBondContact O-N 3.02Å; Y21-K23 PolarHBondContact O-N 2.96Å; K23-V147 WeakPolarHBondContact O-CG2 3.44Å; K23-A153 WeakPolarHBondContact O-CB 3.36Å
24I96.4Very high94.7Very high0 Ų059.2 Ų59.20%030%0.302CS..Hα-helixtrans-119.8-16.5-166.1-46.2-64.6000111.4F20 A26 M109 Y114 V147 A153 N170 F171 M172F20-I24 VanDerWaalsContact O-CB 3.22Å; F20-I24 WeakPolarHBondContact O-CB 3.44Å; F20-I24 VanDerWaalsContact O-CG1 3.29Å; F20-I24 WeakPolarHBondContact O-CG1 3.4Å; F20-I24 PolarHBondContact O-N 2.76Å; I24-A26 PolarHBondContact O-N 3.25Å; I24-M109 HydrophobicContact CG2-CE 3.31Å; I24-M109 HydrophobicContact CG2-SD 3.48Å; I24-M109 WeakPolarHBondContact CG2-SD 3.2Å; I24-Y114 WeakPolarHBondContact O-CE1 3.47Å; I24-Y114 VanDerWaalsContact O-CZ 3.25Å; I24-Y114 PolarHBondContact O-OH 2.96Å; I24-V147 WeakPolarHBondContact O-CG2 3.35Å; I24-A153 HydrophobicContact CD1-CB 3.72Å; I24-A153 WeakPolarHBondContact CD1-O 3.23Å; I24-N170 VanDerWaalsContact CG1-O 3.31Å; I24-N170 WeakPolarHBondContact CG1-O 3.33Å; I24-F171 HydrophobicContact CD1-CD1 4.12Å; I24-M172 HydrophobicContact CG2-CE 4.11Å; I24-M172 HydrophobicContact CG2-CG 4.28Å
25G97Very high95.1Very high1 Ų162.9 Ų62.91%0.0132%0.316CS..SBendtrans70.95.5-172.100000113.9Y21Y21-G25 VanDerWaalsContact CE2-O 3.25Å; Y21-G25 WeakPolarHBondContact CE2-O 3.06Å; Y21-G25 WeakPolarHBondContact O-CA 3.49Å; Y21-G25 PolarHBondContact O-N 2.82Å
26A97Very high95.4Very high11 Ų1158.5 Ų58.59%0.09130%0.3CS..  trans-144.6155.5-177.900000111.1F20 I24 H108 M109F20-A26 CarbonylContact C-O 3.57Å; I24-A26 PolarHBondContact O-N 3.25Å; A26-H108 WeakPolarHBondContact CB-O 3.14Å; A26-M109 HydrophobicContact CB-SD 3.48Å; A26-M109 WeakPolarHBondContact CB-SD 3.17Å
27C96.7Very high95.6Very high12 Ų1255.8 Ų55.88%0.08128%0.282CS..  trans-148.8130.8-177.7176.60000109.6H29 G30 H37C27-H29 PolarHBondContact O-N 3.43Å; C27-H29 PolarHBondContact SG-N 3.36Å; C27-G30 PolarHBondContact O-N 3.29Å; C27-H37 WeakPolarHBondContact CB-CE1 3.5Å; C27-H37 WeakPolarHBondContact CB-NE2 3.47Å; C27-H37 PolarHBondContact SG-NE2 2.99Å; C27-H37 VanDerWaalsContact SG-NE2 3.41Å
28R95.9Very high95.6Very high108 Ų10858.1 Ų58.141%0.40829%0.294SS..THydrogen-bonded Turntrans-57.2-18.917762170.2141.2-123.35.9115.3H108 F168 N170R28-H108 PolarHBondContact N-CD2 3.08Å; R28-H108 VanDerWaalsContact N-CD2 3.35Å; R28-F168 PolarHBondContact NH1-O 3.39Å; R28-N170 PolarHBondContact NH1-ND2 2.83Å; R28-N170 PolarHBondContact NH1-OD1 3.31Å; R28-N170 PolarHBondContact NH2-ND2 2.89Å
29H96.1Very high95.5Very high105 Ų10564.6 Ų64.649%0.48632%0.318SS..THydrogen-bonded Turntrans-93.8-7.2178.5-52.3125.4000112.8C27 D31 K32 C33C27-H29 PolarHBondContact O-N 3.43Å; C27-H29 PolarHBondContact SG-N 3.36Å; H29-D31 PolarHBondContact O-N 3.43Å; H29-K32 CarbonylContact O-C 3.57Å; H29-K32 WeakPolarHBondContact O-CA 3.32Å; H29-K32 WeakPolarHBondContact O-CB 3.43Å; H29-K32 PolarHBondContact O-N 2.68Å; H29-C33 HydrophobicContact CB-CB 3.96Å; H29-C33 PolarHBondContact O-N 2.62Å
30G94.2Very high95.7Very high33 Ų3366.1 Ų66.134%0.3433%0.328SS..G310 helixtrans49.5-137.2-177.800000112.2C27 K32 C33 H37C27-G30 PolarHBondContact O-N 3.29Å; G30-K32 PolarHBondContact O-N 2.89Å; G30-C33 WeakPolarHBondContact O-CB 3.44Å; G30-C33 PolarHBondContact O-N 2.83Å; G30-H37 PolarHBondContact O-CE1 3.46Å
31D94Very high95.7Very high135 Ų13569.7 Ų69.772%0.72235%0.353SS*.G310 helixtrans-71.1-10178.2-58.2-48.5000113.9H29 C33 R39H29-D31 PolarHBondContact O-N 3.43Å; D31-C33 VanDerWaalsContact C-N 3.25Å; D31-C33 PolarHBondContact O-N 3.3Å; D31-R39 IonicContact OD1-NH1 4Å; D31-R39 IonicContact OD1-NH2 3.08Å; D31-R39 PolarHBondContact OD1-NH2 2.85Å; D31-R39 VanDerWaalsContact OD1-NH2 3.08Å
32K96.1Very high95.8Very high198 Ų19875.7 Ų75.786%0.86138%0.38SS*.G310 helixtrans-86.36.5173.5-59.4178.5-177.5173.50112.6H29 G30 S34H29-K32 CarbonylContact O-C 3.57Å; H29-K32 WeakPolarHBondContact O-CA 3.32Å; H29-K32 WeakPolarHBondContact O-CB 3.43Å; H29-K32 PolarHBondContact O-N 2.68Å; G30-K32 PolarHBondContact O-N 2.89Å; K32-S34 PolarHBondContact O-N 2.69Å
33C96.4Very high95.9Very high23 Ų2372.7 Ų72.716%0.15537%0.368CS..  trans-60135.7177.2-163.20000110.7H29 G30 D31 R35 H37H29-C33 HydrophobicContact CB-CB 3.96Å; H29-C33 PolarHBondContact O-N 2.62Å; G30-C33 WeakPolarHBondContact O-CB 3.44Å; G30-C33 PolarHBondContact O-N 2.83Å; D31-C33 VanDerWaalsContact C-N 3.25Å; D31-C33 PolarHBondContact O-N 3.3Å; C33-R35 PolarHBondContact O-N 3.42Å; C33-H37 WeakPolarHBondContact CB-NE2 3.2Å; C33-H37 PolarHBondContact SG-NE2 2.78Å
34S95.9Very high96.1Very high121 Ų12172.3 Ų72.385%0.84637%0.367SS*.SBendtrans-72.4-8.5174.656.60000113.7K32K32-S34 PolarHBondContact O-N 2.69Å
35R95.3Very high96.2Very high84 Ų8472.4 Ų72.432%0.31737%0.368SS..SBendtrans-114.5158.3177.9-63.9-177.3-174.7156.2-3.9110.2V16 N17 C18 C33V16-R35 WeakPolarHBondContact O-CA 3.44Å; V16-R35 WeakPolarHBondContact O-CB 3.27Å; N17-R35 WeakPolarHBondContact O-CD 3.3Å; C18-R35 HydrophobicContact CB-CB 3.85Å; C33-R35 PolarHBondContact O-N 3.42Å
36I95.9Very high96.3Very high92 Ų9272.3 Ų72.347%0.47237%0.367SS..BIsolated β-bridgetrans-75.4133.6-176.7-59.4178.2000110.7V16 C18 N38V16-I36 HydrophobicContact CG1-CD1 3.83Å; V16-I36 HydrophobicContact CG1-CG1 4.46Å; V16-I36 PolarHBondContact O-N 2.72Å; C18-I36 PolarHBondContact N-O 3.22Å; I36-N38 WeakPolarHBondContact CG2-OD1 3.36Å
37H96.8Very high96.4Very high27 Ų2771.9 Ų71.913%0.12536%0.363CS..  trans-98.3102.5168.5-67.9173.8000109.2C18 Y21 C27 G30 C33 R39C18-H37 WeakPolarHBondContact CB-CD2 3.46Å; Y21-H37 VanDerWaalsContact CB-CD2 3.4Å; Y21-H37 WeakPolarHBondContact CB-CD2 3.42Å; Y21-H37 HydrophobicContact CD1-CB 3.67Å; Y21-H37 HydrophobicContact CD2-CB 4.07Å; Y21-H37 AromaticContact CD2-CG 3.76Å; Y21-H37 AromaticContact CD2-ND1 3.82Å; Y21-H37 HydrophobicContact CE1-CB 3.92Å; Y21-H37 HydrophobicContact CE2-CB 4.3Å; Y21-H37 HydrophobicContact CG-CB 3.76Å; Y21-H37 AromaticContact CG-CD2 3.67Å; Y21-H37 AromaticContact CG-CG 3.56Å; C27-H37 WeakPolarHBondContact CB-CE1 3.5Å; C27-H37 WeakPolarHBondContact CB-NE2 3.47Å; C27-H37 PolarHBondContact SG-NE2 2.99Å; C27-H37 VanDerWaalsContact SG-NE2 3.41Å; G30-H37 PolarHBondContact O-CE1 3.46Å; C33-H37 WeakPolarHBondContact CB-NE2 3.2Å; C33-H37 PolarHBondContact SG-NE2 2.78Å; H37-R39 PolarHBondContact O-N 3.31Å; H37-R39 VanDerWaalsContact O-N 3.13Å
38N93.9Very high96.5Very high70 Ų7071.4 Ų71.437%0.37436%0.36SS..  trans-79.495.4178.1-64.6-47.8000110N17 Y21 I36N17-N38 PolarHBondContact OD1-ND2 3.02Å; Y21-N38 WeakPolarHBondContact CE1-O 3.47Å; I36-N38 WeakPolarHBondContact CG2-OD1 3.36Å
39R94.9Very high96.6Very high141 Ų14169.7 Ų69.753%0.53236%0.356SS..  trans-68.1122.4172.7-69.7-174.6173.590-4.4109.2Y21 D31 H37 E143Y21-R39 WeakPolarHBondContact OH-CG 3.42Å; D31-R39 IonicContact OD1-NH1 4Å; D31-R39 IonicContact OD1-NH2 3.08Å; D31-R39 PolarHBondContact OD1-NH2 2.85Å; D31-R39 VanDerWaalsContact OD1-NH2 3.08Å; H37-R39 PolarHBondContact O-N 3.31Å; H37-R39 VanDerWaalsContact O-N 3.13Å; R39-E143 IonicContact NE-OE2 2.75Å
40P96.4Very high96.6Very high34 Ų3467.5 Ų67.522%0.22135%0.349CS..  trans-68.9145-178.727.7-33.5000111.3F42 L144P40-F42 WeakPolarHBondContact CB-O 3.47Å; P40-L144 HydrophobicContact CG-CB 3.82Å
41T96.2Very high96.7Very high120 Ų12066.6 Ų66.674%0.73634%0.336SS*.SBendtrans-86-19.2171.849.50000112.7
42F97.1Very high96.8Very high136 Ų13660.5 Ų60.560%0.59630%0.303SS*.SBendtrans-146.3143.8172.857.4-88.7000108.4P40 E120P40-F42 WeakPolarHBondContact CB-O 3.47Å; F42-E120 VanDerWaalsContact CD2-OE2 3.31Å; F42-E120 WeakPolarHBondContact CD2-OE2 3.48Å
43S98.1Very high96.6Very high10 Ų1055.7 Ų55.77%0.0728%0.283CS..  trans-162.8151.6175.3-176.40000109.1T45 A123 S145S43-T45 VanDerWaalsContact C-N 3.26Å; S43-T45 PolarHBondContact OG-N 3Å; S43-T45 PolarHBondContact OG-O 3.31Å; S43-A123 WeakPolarHBondContact O-CB 3.41Å; S43-S145 WeakPolarHBondContact CB-O 3.4Å; S43-S145 PolarHBondContact OG-O 2.75Å
44Q98.4Very high96Very high57 Ų5755.4 Ų55.427%0.26628%0.28SS..SBendtrans-75.7-20.6166.4-69.1-177.1-49.600111.7K116 F117 R118 E120Q44-K116 HydrophobicContact CB-CG 4.2Å; Q44-K116 CarbonylContact O-C 3.56Å; Q44-K116 WeakPolarHBondContact O-CA 3.43Å; Q44-F117 WeakPolarHBondContact CB-O 3.31Å; Q44-F117 PolarHBondContact O-N 3.22Å; Q44-R118 PolarHBondContact NE2-O 2.71Å; Q44-E120 HydrophobicContact CB-CG 4.42Å; Q44-E120 HydrophobicContact CG-CG 3.47Å; Q44-E120 VanDerWaalsContact CG-CG 3.47Å
45T98.7Very high95.3Very high2 Ų251 Ų511%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-106.2134.7-172.2-50.60000110.6S43 I115 S145 V147 F150S43-T45 VanDerWaalsContact C-N 3.26Å; S43-T45 PolarHBondContact OG-N 3Å; S43-T45 PolarHBondContact OG-O 3.31Å; T45-I115 CarbonylContact C-O 3.6Å; T45-I115 WeakPolarHBondContact CA-O 3.35Å; T45-S145 PolarHBondContact O-N 3.38Å; T45-V147 WeakPolarHBondContact CB-O 3.48Å; T45-V147 HydrophobicContact CG2-CB 4.49Å; T45-V147 PolarHBondContact OG1-O 3.27Å; T45-F150 HydrophobicContact CG2-CE1 4.36Å; T45-F150 HydrophobicContact CG2-CZ 3.76Å
46I98.8Very high94.2Very high0 Ų051.1 Ų51.10%025%0.251CS..EExtended strand (participates in β ladder)trans-114.1155.5170.172.2168.8000110L48 Y114 I115 F117 A123 A126 V127 L130 E143 L144I46-L48 HydrophobicContact CD1-CD2 3.85Å; I46-L48 HydrophobicContact CD1-CG 4.48Å; I46-L48 HydrophobicContact CG1-CD2 4.5Å; I46-Y114 WeakPolarHBondContact O-CA 3.46Å; I46-I115 HydrophobicContact CD1-CB 4.38Å; I46-I115 HydrophobicContact CD1-CD1 4.13Å; I46-I115 HydrophobicContact CG1-CB 3.83Å; I46-I115 HydrophobicContact CG1-CD1 4.32Å; I46-I115 PolarHBondContact N-O 3.4Å; I46-I115 PolarHBondContact O-N 2.92Å; I46-F117 HydrophobicContact CD1-CE2 3.82Å; I46-F117 HydrophobicContact CD1-CZ 4.36Å; I46-F117 HydrophobicContact CG1-CE2 3.96Å; I46-F117 HydrophobicContact CG2-CD2 4.43Å; I46-F117 HydrophobicContact CG2-CE2 4.09Å; I46-A123 HydrophobicContact CG2-CB 3.65Å; I46-A126 HydrophobicContact CD1-CB 4.02Å; I46-V127 HydrophobicContact CB-CG2 4.04Å; I46-V127 HydrophobicContact CG2-CG2 3.58Å; I46-L130 HydrophobicContact CD1-CD1 3.94Å; I46-E143 CarbonylContact C-O 3.5Å; I46-E143 VanDerWaalsContact CA-O 3.26Å; I46-E143 WeakPolarHBondContact CA-O 3.47Å; I46-L144 HydrophobicContact CG2-CD2 4.21Å
47L98.7Very high93Very high1 Ų150.6 Ų50.61%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-117.1125.3171.5168.657.8000108.6Q49 N112 Y114 A142 E143L47-Q49 HydrophobicContact CD2-CG 4.19Å; L47-Q49 HydrophobicContact CG-CG 4.09Å; L47-N112 HydrophobicContact CD1-CB 3.61Å; L47-Y114 HydrophobicContact CB-CD1 4.46Å; L47-Y114 HydrophobicContact CB-CE1 4.32Å; L47-Y114 HydrophobicContact CD1-CD1 4.26Å; L47-Y114 HydrophobicContact CD1-CD2 4.26Å; L47-Y114 HydrophobicContact CD1-CE1 3.9Å; L47-Y114 HydrophobicContact CD1-CE2 3.86Å; L47-Y114 HydrophobicContact CD1-CG 4.43Å; L47-Y114 HydrophobicContact CD2-CE1 4.37Å; L47-Y114 HydrophobicContact CG-CE1 4.43Å; L47-A142 CarbonylContact O-C 3.58Å; L47-A142 WeakPolarHBondContact O-CA 3.37Å; L47-E143 HydrophobicContact CB-CG 4.13Å; L47-E143 PolarHBondContact N-O 3.09Å; L47-E143 PolarHBondContact O-N 3.07Å
48L98.6Very high91.4Very high2 Ų251.8 Ų51.81%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-100.3108.3165.3-44.2-179.4000107.7I46 N50 L51 I85 N112 V113 I115 L130 I140 Y141 A142I46-L48 HydrophobicContact CD1-CD2 3.85Å; I46-L48 HydrophobicContact CD1-CG 4.48Å; I46-L48 HydrophobicContact CG1-CD2 4.5Å; L48-N50 PolarHBondContact O-N 3.02Å; L48-L51 HydrophobicContact CB-CB 4.09Å; L48-L51 HydrophobicContact CB-CD2 3.92Å; L48-L51 HydrophobicContact CD1-CD2 3.47Å; L48-L51 VanDerWaalsContact CD1-CD2 3.47Å; L48-L51 HydrophobicContact CG-CD2 4.33Å; L48-I85 HydrophobicContact CD1-CG2 4.46Å; L48-N112 WeakPolarHBondContact O-CA 3.26Å; L48-V113 HydrophobicContact CB-CB 4.14Å; L48-V113 HydrophobicContact CD1-CB 4.46Å; L48-V113 HydrophobicContact CG-CB 4.48Å; L48-V113 PolarHBondContact N-O 2.74Å; L48-V113 PolarHBondContact O-N 3.36Å; L48-I115 HydrophobicContact CD1-CD1 3.66Å; L48-I115 HydrophobicContact CG-CD1 4.18Å; L48-L130 HydrophobicContact CD1-CD1 4.4Å; L48-L130 HydrophobicContact CD2-CD1 3.78Å; L48-I140 HydrophobicContact CD2-CG2 4.15Å; L48-Y141 CarbonylContact C-O 3.57Å; L48-Y141 WeakPolarHBondContact CA-O 3.44Å; L48-A142 HydrophobicContact CD2-CB 3.46Å; L48-A142 VanDerWaalsContact CD2-CB 3.46Å
49Q97.6Very high89.6Confident72 Ų7255.4 Ų55.434%0.33627%0.273SS..THydrogen-bonded Turntrans-71.2130.9-173.4-62-178.72.400110.7L47 L51 N112 Y141 E143L47-Q49 HydrophobicContact CD2-CG 4.19Å; L47-Q49 HydrophobicContact CG-CG 4.09Å; Q49-L51 PolarHBondContact O-N 3.25Å; Q49-N112 WeakPolarHBondContact CA-OD1 3.49Å; Q49-Y141 PolarHBondContact N-O 2.91Å; Q49-E143 PolarHBondContact NE2-OE1 2.63Å
50N96Very high87.5Confident60 Ų6057.4 Ų57.432%0.32129%0.288SS..THydrogen-bonded Turntrans46.830.8172.8-48.3122.5000115L48 Q53 E107 I110 N112L48-N50 PolarHBondContact O-N 3.02Å; N50-Q53 PolarHBondContact O-NE2 3.46Å; N50-E107 PolarHBondContact ND2-O 3.41Å; N50-I110 WeakPolarHBondContact CA-O 3.43Å; N50-I110 PolarHBondContact ND2-O 2.93Å; N50-N112 PolarHBondContact N-OD1 2.81Å
51L97.3Very high85.3Confident14 Ų1463.2 Ų63.27%0.07331%0.306CS..  trans-73-38.7-173.4-176.265.9000112L48 Q49 Q53 F81 I85 G111 V113 F135 I140L48-L51 HydrophobicContact CB-CB 4.09Å; L48-L51 HydrophobicContact CB-CD2 3.92Å; L48-L51 HydrophobicContact CD1-CD2 3.47Å; L48-L51 VanDerWaalsContact CD1-CD2 3.47Å; L48-L51 HydrophobicContact CG-CD2 4.33Å; Q49-L51 PolarHBondContact O-N 3.25Å; L51-Q53 PolarHBondContact O-N 2.65Å; L51-F81 HydrophobicContact CD2-CZ 4.42Å; L51-F81 HydrophobicContact CG-CE2 4.27Å; L51-F81 HydrophobicContact CG-CZ 4.25Å; L51-I85 HydrophobicContact CD2-CD1 3.89Å; L51-I85 HydrophobicContact CD2-CG1 4.34Å; L51-G111 PolarHBondContact N-O 3.4Å; L51-G111 VanDerWaalsContact N-O 3.15Å; L51-V113 HydrophobicContact CB-CG2 4.04Å; L51-V113 HydrophobicContact CD2-CG2 4.34Å; L51-F135 HydrophobicContact CD1-CB 3.85Å; L51-F135 HydrophobicContact CD1-CD1 3.92Å; L51-F135 HydrophobicContact CD1-CG 4.09Å; L51-F135 HydrophobicContact CG-CD1 4.39Å; L51-I140 HydrophobicContact CD1-CG1 4.03Å; L51-I140 HydrophobicContact CD1-CG2 4.45Å
52Y96.4Very high83.2Confident6 Ų659.9 Ų59.92%0.02429%0.291CS..  trans-80.4119176.7178.5-117.2000110.9N54 F78 F81 V101 G111 K175Y52-N54 HydrophobicContact CE1-CB 3.84Å; Y52-F78 HydrophobicContact CD2-CD2 4.26Å; Y52-F78 HydrophobicContact CE1-CD2 4.09Å; Y52-F78 AromaticContact CE2-CD2 3.71Å; Y52-F78 HydrophobicContact CE2-CD2 3.71Å; Y52-F78 HydrophobicContact CE2-CE2 4.49Å; Y52-F78 AromaticContact CZ-CD2 3.61Å; Y52-F81 HydrophobicContact CD2-CB 4.27Å; Y52-F81 AromaticContact CD2-CD1 3.39Å; Y52-F81 HydrophobicContact CD2-CD1 3.39Å; Y52-F81 AromaticContact CD2-CD2 3.97Å; Y52-F81 HydrophobicContact CD2-CD2 3.97Å; Y52-F81 AromaticContact CD2-CE1 3.62Å; Y52-F81 HydrophobicContact CD2-CE1 3.62Å; Y52-F81 HydrophobicContact CD2-CE2 4.16Å; Y52-F81 AromaticContact CD2-CG 3.59Å; Y52-F81 HydrophobicContact CD2-CG 3.59Å; Y52-F81 AromaticContact CD2-CZ 3.99Å; Y52-F81 HydrophobicContact CD2-CZ 3.99Å; Y52-F81 HydrophobicContact CE2-CB 4.29Å; Y52-F81 HydrophobicContact CE2-CD1 4.04Å; Y52-F81 HydrophobicContact CE2-CG 4.1Å; Y52-F81 HydrophobicContact CG-CD1 4.12Å; Y52-F81 AromaticContact CG-CE1 3.91Å; Y52-F81 HydrophobicContact CG-CE1 3.91Å; Y52-F81 HydrophobicContact CG-CZ 4.22Å; Y52-V101 HydrophobicContact CD1-CG1 3.84Å; Y52-V101 HydrophobicContact CG-CG1 3.86Å; Y52-G111 PolarHBondContact N-O 3.26Å; Y52-G111 VanDerWaalsContact O-CA 3.26Å; Y52-G111 WeakPolarHBondContact O-CA 3.16Å; Y52-K175 HydrophobicContact CE1-CD 3.79Å; Y52-K175 WeakPolarHBondContact OH-CE 3.18Å
53Q91.8Very high81Confident97 Ų9762.1 Ų62.145%0.45330%0.303SS..  trans-98.9106.2174.2-62-61.5-35.700109.4N50 L51 P55 M138N50-Q53 PolarHBondContact O-NE2 3.46Å; L51-Q53 PolarHBondContact O-N 2.65Å; Q53-P55 VanDerWaalsContact O-CD 3.31Å; Q53-P55 WeakPolarHBondContact O-CD 3.48Å; Q53-M138 HydrophobicContact CG-CE 3.74Å
54N83.2Confident78.7Confident17 Ų1766.3 Ų66.39%0.09134%0.338CS..  trans-72.9120.4176.4-173-24.8000109.5Y52 K56 M57 D58 K175Y52-N54 HydrophobicContact CE1-CB 3.84Å; N54-K56 PolarHBondContact O-N 3.08Å; N54-K56 VanDerWaalsContact O-N 3.09Å; N54-K56 PolarHBondContact OD1-N 3.24Å; N54-M57 HydrophobicContact CB-CB 4.23Å; N54-M57 HydrophobicContact CB-CG 4.06Å; N54-M57 PolarHBondContact O-N 2.99Å; N54-D58 PolarHBondContact O-N 3.35Å; N54-K175 PolarHBondContact ND2-NZ 3.43Å
55P80.6Confident76.6Confident29 Ų2964.8 Ų64.819%0.18834%0.335CS..THydrogen-bonded Turntrans-56.6-26.5178.9-25.735.2000114.8Q53Q53-P55 VanDerWaalsContact O-CD 3.31Å; Q53-P55 WeakPolarHBondContact O-CD 3.48Å
56K73.7Confident74.5Confident86 Ų8670 Ų7037%0.37436%0.362SS..THydrogen-bonded Turntrans-74.5-23.2176.4-72.9-178.7171170.30113.4N54 D71 E74N54-K56 PolarHBondContact O-N 3.08Å; N54-K56 VanDerWaalsContact O-N 3.09Å; N54-K56 PolarHBondContact OD1-N 3.24Å; K56-D71 IonicContact NZ-OD1 3.33Å; K56-D71 PolarHBondContact NZ-OD1 2.84Å; K56-E74 WeakPolarHBondContact CD-OE2 3.29Å; K56-E74 WeakPolarHBondContact CE-OE2 3.48Å; K56-E74 IonicContact NZ-OE2 2.63Å; K56-E74 PolarHBondContact NZ-OE2 3.03Å
57M69.5Low72.6Confident81 Ų8177.8 Ų77.840%0.39940%0.403SS..THydrogen-bonded Turntrans-98.3-11.7-174.8-65.6-60.8-63.100113.4N54 I59 I105 I110N54-M57 HydrophobicContact CB-CB 4.23Å; N54-M57 HydrophobicContact CB-CG 4.06Å; N54-M57 PolarHBondContact O-N 2.99Å; M57-I59 PolarHBondContact O-N 3.36Å; M57-I105 HydrophobicContact CE-CB 4.41Å; M57-I105 HydrophobicContact CE-CG1 4.18Å; M57-I105 HydrophobicContact CE-CG2 3.86Å; M57-I110 HydrophobicContact CB-CD1 4.23Å; M57-I110 HydrophobicContact CE-CD1 4.08Å; M57-I110 HydrophobicContact CG-CD1 4.29Å
58D64.7Low71.2Confident52 Ų5280.3 Ų80.328%0.27843%0.43SS..  trans-69.8101.4178.2-174.1-6.3000110.5N54 H60 R61 A62N54-D58 PolarHBondContact O-N 3.35Å; D58-H60 PolarHBondContact O-N 3.32Å; D58-H60 WeakPolarHBondContact OD1-CB 3.44Å; D58-H60 PolarHBondContact OD1-N 2.82Å; D58-R61 HydrophobicContact CB-CB 4.13Å; D58-R61 PolarHBondContact O-N 3.18Å; D58-R61 VanDerWaalsContact OD2-CD 3.29Å; D58-R61 WeakPolarHBondContact OD2-CD 3.49Å; D58-R61 WeakPolarHBondContact OD2-CG 3.43Å; D58-A62 PolarHBondContact O-N 2.91Å; D58-A62 VanDerWaalsContact O-N 3.15Å
59I54.9Low70.1Confident147 Ų14782.9 Ų82.975%0.75445%0.446SS*.THydrogen-bonded Turntrans-56.2-31.5178.6-60.1168.9000110.9M57 R61 A62M57-I59 PolarHBondContact O-N 3.36Å; I59-R61 VanDerWaalsContact C-N 3.34Å; I59-A62 WeakPolarHBondContact O-CB 3.43Å
60H51.7Low69.5Low182 Ų18283 Ų8384%0.84345%0.451SS*.THydrogen-bonded Turntrans-79.9-15-179.7-67.8-71000113.5D58D58-H60 PolarHBondContact O-N 3.32Å; D58-H60 WeakPolarHBondContact OD1-CB 3.44Å; D58-H60 PolarHBondContact OD1-N 2.82Å
61R50.2Low69.2Low156 Ų15685.9 Ų85.959%0.58947%0.467SS*.THydrogen-bonded Turntrans-105.2-1.1174.3-73.9-176.9154.7-169.3-4.8114D58 I59 E63 A64 A65D58-R61 HydrophobicContact CB-CB 4.13Å; D58-R61 PolarHBondContact O-N 3.18Å; D58-R61 VanDerWaalsContact OD2-CD 3.29Å; D58-R61 WeakPolarHBondContact OD2-CD 3.49Å; D58-R61 WeakPolarHBondContact OD2-CG 3.43Å; I59-R61 VanDerWaalsContact C-N 3.34Å; R61-E63 PolarHBondContact O-N 2.89Å; R61-A64 PolarHBondContact O-N 2.91Å; R61-A65 HydrophobicContact CB-CB 4.15Å; R61-A65 PolarHBondContact O-N 3.39Å
62A50.9Low68.8Low51 Ų5188.8 Ų88.842%0.42149%0.492SS..THydrogen-bonded Turntrans-55.5-26.3-168.400000115.3D58 I59 L66D58-A62 PolarHBondContact O-N 2.91Å; D58-A62 VanDerWaalsContact O-N 3.15Å; I59-A62 WeakPolarHBondContact O-CB 3.43Å; A62-L66 VanDerWaalsContact O-CB 3.27Å; A62-L66 WeakPolarHBondContact O-CB 3.36Å
63E51.9Low68.6Low183 Ų18393.1 Ų93.186%0.85551%0.513SS*.THydrogen-bonded Turntrans-83.3-35.7-178.8-125.7-179.517800113.6R61R61-E63 PolarHBondContact O-N 2.89Å
64A49.4Very low68.5Low97 Ų9789.7 Ų89.780%0.80250%0.497SS*.THydrogen-bonded Turntrans-101.9-31.7-17300000113.7R61R61-A64 PolarHBondContact O-N 2.91Å
65A54.4Low69.1Low26 Ų2691.8 Ų91.822%0.21551%0.506CS..SBendtrans-84.7-27.9-176.900000113.3R61 L67 V69R61-A65 HydrophobicContact CB-CB 4.15Å; R61-A65 PolarHBondContact O-N 3.39Å; A65-L67 PolarHBondContact O-N 3.23Å; A65-V69 WeakPolarHBondContact O-CG2 3.18Å
66L55.1Low69.7Low110 Ų11095.8 Ų95.858%0.57652%0.522SS*.THydrogen-bonded Turntrans-73.1-27.7-170.1-16373.2000113.6A62 G68A62-L66 VanDerWaalsContact O-CB 3.27Å; A62-L66 WeakPolarHBondContact O-CB 3.36Å; L66-G68 PolarHBondContact O-N 3.24Å
67L58.8Low70.7Confident164 Ų16495.3 Ų95.386%0.85952%0.521SS*.THydrogen-bonded Turntrans-85.81-170.2-72.2173.7000115.4A65A65-L67 PolarHBondContact O-N 3.23Å
68G69.3Low72Confident55 Ų5591.4 Ų91.457%0.56750%0.502SS*.THydrogen-bonded Turntrans-149.6-7-173.900000117.9L66 T70 Q73L66-G68 PolarHBondContact O-N 3.24Å; G68-T70 PolarHBondContact O-N 3.07Å; G68-Q73 PolarHBondContact O-OE1 2.87Å
69V75.1Confident73.6Confident56 Ų5690 Ų9034%0.33949%0.494SS..  trans-77.7110.4179.3179.60000109.4A65 Q73 E74A65-V69 WeakPolarHBondContact O-CG2 3.18Å; V69-Q73 HydrophobicContact CG1-CB 3.97Å; V69-E74 HydrophobicContact CG1-CB 4.3Å
70T85.5Confident75.6Confident75 Ų7587.9 Ų87.946%0.4648%0.481SS..  trans-68.6154.6173.362.30000111G68 A72 Q73 E74G68-T70 PolarHBondContact O-N 3.07Å; T70-A72 PolarHBondContact O-N 3Å; T70-A72 VanDerWaalsContact O-N 3.13Å; T70-Q73 PolarHBondContact O-N 3.23Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.48Å; T70-Q73 PolarHBondContact OG1-N 3.48Å; T70-Q73 PolarHBondContact OG1-OE1 3.26Å; T70-E74 PolarHBondContact O-N 2.6Å
71D88Confident77.8Confident120 Ų12079.8 Ų79.864%0.64244%0.444SS*.Hα-helixtrans-57.4-29174.7-63.6-24.4000112.3K56 Q75K56-D71 IonicContact NZ-OD1 3.33Å; K56-D71 PolarHBondContact NZ-OD1 2.84Å; D71-Q75 WeakPolarHBondContact O-CB 3.42Å; D71-Q75 PolarHBondContact O-N 3.03Å
72A90.4Very high80.1Confident74 Ų7472.6 Ų72.661%0.61242%0.417SS*.Hα-helixtrans-68-42.7174.900000112.7T70 Q75 Q76T70-A72 PolarHBondContact O-N 3Å; T70-A72 VanDerWaalsContact O-N 3.13Å; A72-Q75 PolarHBondContact O-N 2.81Å; A72-Q76 WeakPolarHBondContact O-CB 3.37Å; A72-Q76 PolarHBondContact O-N 2.89Å
73Q90.8Very high82.3Confident97 Ų9773.1 Ų73.145%0.45341%0.411SS..Hα-helixtrans-67.6-37.6175.7-74164.7-41.800111.5G68 V69 T70 Q76 H77G68-Q73 PolarHBondContact O-OE1 2.87Å; V69-Q73 HydrophobicContact CG1-CB 3.97Å; T70-Q73 PolarHBondContact O-N 3.23Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.48Å; T70-Q73 PolarHBondContact OG1-N 3.48Å; T70-Q73 PolarHBondContact OG1-OE1 3.26Å; Q73-Q76 PolarHBondContact O-N 3.23Å; Q73-H77 WeakPolarHBondContact O-CB 3.33Å; Q73-H77 PolarHBondContact O-N 2.64Å
74E90.8Very high84.5Confident26 Ų2669.9 Ų69.912%0.12140%0.396CS..Hα-helixtrans-63.2-46.8174.2-175.2-174175.400111.5K56 V69 T70 Q76 H77 F78 K175K56-E74 WeakPolarHBondContact CD-OE2 3.29Å; K56-E74 WeakPolarHBondContact CE-OE2 3.48Å; K56-E74 IonicContact NZ-OE2 2.63Å; K56-E74 PolarHBondContact NZ-OE2 3.03Å; V69-E74 HydrophobicContact CG1-CB 4.3Å; T70-E74 PolarHBondContact O-N 2.6Å; E74-Q76 VanDerWaalsContact C-N 3.29Å; E74-Q76 PolarHBondContact O-N 3.2Å; E74-H77 PolarHBondContact O-N 3.08Å; E74-F78 WeakPolarHBondContact O-CB 3.26Å; E74-F78 PolarHBondContact O-N 2.83Å; E74-K175 IonicContact OE1-NZ 3.97Å; E74-K175 PolarHBondContact OE1-NZ 3.4Å
75Q94.6Very high86.9Confident61 Ų6165.8 Ų65.829%0.28536%0.36SS..Hα-helixtrans-61.1-41.1177.1-174.167.158.900111.2D71 A72 F78 D79 P176D71-Q75 WeakPolarHBondContact O-CB 3.42Å; D71-Q75 PolarHBondContact O-N 3.03Å; A72-Q75 PolarHBondContact O-N 2.81Å; Q75-F78 PolarHBondContact O-N 2.8Å; Q75-D79 PolarHBondContact NE2-OD1 3.01Å; Q75-D79 WeakPolarHBondContact O-CB 3.44Å; Q75-D79 PolarHBondContact O-N 3.31Å; Q75-P176 PolarHBondContact NE2-O 2.93Å
76Q95Very high89Confident112 Ų11264.6 Ų64.652%0.52335%0.35SS..Hα-helixtrans-61.2-50.7176-179.7-179-3.100111.4A72 Q73 E74 F78 D79 E80A72-Q76 WeakPolarHBondContact O-CB 3.37Å; A72-Q76 PolarHBondContact O-N 2.89Å; Q73-Q76 PolarHBondContact O-N 3.23Å; E74-Q76 VanDerWaalsContact C-N 3.29Å; E74-Q76 PolarHBondContact O-N 3.2Å; Q76-F78 VanDerWaalsContact C-N 3.25Å; Q76-F78 PolarHBondContact O-N 3.46Å; Q76-D79 PolarHBondContact O-N 2.96Å; Q76-E80 HydrophobicContact CG-CG 4.42Å; Q76-E80 VanDerWaalsContact CG-OE1 3.31Å; Q76-E80 WeakPolarHBondContact CG-OE1 3.32Å; Q76-E80 PolarHBondContact NE2-OE1 2.97Å; Q76-E80 WeakPolarHBondContact O-CB 3.4Å; Q76-E80 WeakPolarHBondContact O-CG 3.2Å; Q76-E80 PolarHBondContact O-N 3.18Å
77H94.3Very high91Very high76 Ų7661.5 Ų61.535%0.35234%0.336SS..Hα-helixtrans-57.8-40.2177.5174.1-84.1000111.8Q73 E74 F81Q73-H77 WeakPolarHBondContact O-CB 3.33Å; Q73-H77 PolarHBondContact O-N 2.64Å; E74-H77 PolarHBondContact O-N 3.08Å; H77-F81 WeakPolarHBondContact O-CB 3.41Å; H77-F81 PolarHBondContact O-N 2.89Å; H77-F81 VanDerWaalsContact O-N 3.11Å
78F96.6Very high92.9Very high0 Ų056.3 Ų56.30%031%0.307CS..Hα-helixtrans-68-43.4176.4178.3-119.8000112.9Y52 E74 Q75 Q76 F81 F82 V101 K175 P176 I177Y52-F78 HydrophobicContact CD2-CD2 4.26Å; Y52-F78 HydrophobicContact CE1-CD2 4.09Å; Y52-F78 AromaticContact CE2-CD2 3.71Å; Y52-F78 HydrophobicContact CE2-CD2 3.71Å; Y52-F78 HydrophobicContact CE2-CE2 4.49Å; Y52-F78 AromaticContact CZ-CD2 3.61Å; E74-F78 WeakPolarHBondContact O-CB 3.26Å; E74-F78 PolarHBondContact O-N 2.83Å; Q75-F78 PolarHBondContact O-N 2.8Å; Q76-F78 VanDerWaalsContact C-N 3.25Å; Q76-F78 PolarHBondContact O-N 3.46Å; F78-F81 HydrophobicContact CD2-CD1 4.35Å; F78-F81 HydrophobicContact CE2-CD1 4.36Å; F78-F81 PolarHBondContact O-N 2.82Å; F78-F82 HydrophobicContact CE2-CD2 4.48Å; F78-F82 AromaticContact CZ-CD2 3.97Å; F78-F82 HydrophobicContact CZ-CD2 3.97Å; F78-F82 WeakPolarHBondContact O-CB 3.43Å; F78-F82 PolarHBondContact O-N 3.22Å; F78-V101 HydrophobicContact CE2-CB 3.75Å; F78-V101 HydrophobicContact CE2-CG1 3.9Å; F78-V101 HydrophobicContact CE2-CG2 3.85Å; F78-V101 HydrophobicContact CZ-CB 3.9Å; F78-V101 HydrophobicContact CZ-CG2 4.02Å; F78-K175 HydrophobicContact CB-CD 4.28Å; F78-K175 HydrophobicContact CD1-CB 4.47Å; F78-K175 HydrophobicContact CD1-CD 3.89Å; F78-K175 HydrophobicContact CD1-CG 3.85Å; F78-K175 HydrophobicContact CD2-CD 3.57Å; F78-K175 HydrophobicContact CD2-CG 4.28Å; F78-K175 HydrophobicContact CE1-CB 3.85Å; F78-K175 HydrophobicContact CE1-CD 4.09Å; F78-K175 HydrophobicContact CE1-CG 3.72Å; F78-K175 WeakPolarHBondContact CE1-O 3.26Å; F78-K175 HydrophobicContact CE2-CB 4.02Å; F78-K175 HydrophobicContact CE2-CD 3.78Å; F78-K175 HydrophobicContact CE2-CG 4.15Å; F78-K175 HydrophobicContact CG-CD 3.62Å; F78-K175 HydrophobicContact CG-CG 4.12Å; F78-K175 HydrophobicContact CZ-CB 3.6Å; F78-K175 HydrophobicContact CZ-CD 4.04Å; F78-K175 HydrophobicContact CZ-CG 3.88Å; F78-K175 WeakPolarHBondContact CZ-O 3.45Å; F78-P176 WeakPolarHBondContact CE1-O 3.41Å; F78-I177 HydrophobicContact CD1-CG2 4.33Å; F78-I177 HydrophobicContact CE1-CB 4.44Å; F78-I177 HydrophobicContact CE1-CG2 3.58Å; F78-I177 HydrophobicContact CZ-CG2 4.11Å
79D97.7Very high94.3Very high21 Ų2153.9 Ų53.911%0.11228%0.281CS..Hα-helixtrans-62.9-41.9177.8-85.612.7000111.6Q75 Q76 F82 E83 S178 L181Q75-D79 PolarHBondContact NE2-OD1 3.01Å; Q75-D79 WeakPolarHBondContact O-CB 3.44Å; Q75-D79 PolarHBondContact O-N 3.31Å; Q76-D79 PolarHBondContact O-N 2.96Å; D79-F82 PolarHBondContact O-N 3.14Å; D79-E83 VanDerWaalsContact O-CB 3.32Å; D79-E83 WeakPolarHBondContact O-CB 3.43Å; D79-E83 PolarHBondContact O-N 3.47Å; D79-S178 PolarHBondContact OD1-N 2.84Å; D79-S178 WeakPolarHBondContact OD2-CB 3.45Å; D79-S178 PolarHBondContact OD2-OG 2.95Å; D79-L181 HydrophobicContact CB-CD2 3.68Å; D79-L181 VanDerWaalsContact O-CD2 3.32Å; D79-L181 WeakPolarHBondContact O-CD2 3.33Å
80E97.2Very high95.4Very high103 Ų10354.1 Ų54.148%0.48128%0.278SS..Hα-helixtrans-60.8-49.8175.4-74.1170.7-175.700111.1Q76 F82 E83 E84Q76-E80 HydrophobicContact CG-CG 4.42Å; Q76-E80 VanDerWaalsContact CG-OE1 3.31Å; Q76-E80 WeakPolarHBondContact CG-OE1 3.32Å; Q76-E80 PolarHBondContact NE2-OE1 2.97Å; Q76-E80 WeakPolarHBondContact O-CB 3.4Å; Q76-E80 WeakPolarHBondContact O-CG 3.2Å; Q76-E80 PolarHBondContact O-N 3.18Å; E80-F82 VanDerWaalsContact C-N 3.35Å; E80-F82 PolarHBondContact O-N 3.25Å; E80-E83 PolarHBondContact O-N 2.84Å; E80-E84 WeakPolarHBondContact O-CB 3.17Å; E80-E84 PolarHBondContact O-N 2.77Å
81F97.9Very high95.9Very high13 Ų1357.7 Ų57.76%0.05729%0.29CS..Hα-helixtrans-55.9-48.6173.9166.9-94.9000111.9L51 Y52 H77 F78 E83 E84 I85 V101 V113 F135L51-F81 HydrophobicContact CD2-CZ 4.42Å; L51-F81 HydrophobicContact CG-CE2 4.27Å; L51-F81 HydrophobicContact CG-CZ 4.25Å; Y52-F81 HydrophobicContact CD2-CB 4.27Å; Y52-F81 AromaticContact CD2-CD1 3.39Å; Y52-F81 HydrophobicContact CD2-CD1 3.39Å; Y52-F81 AromaticContact CD2-CD2 3.97Å; Y52-F81 HydrophobicContact CD2-CD2 3.97Å; Y52-F81 AromaticContact CD2-CE1 3.62Å; Y52-F81 HydrophobicContact CD2-CE1 3.62Å; Y52-F81 HydrophobicContact CD2-CE2 4.16Å; Y52-F81 AromaticContact CD2-CG 3.59Å; Y52-F81 HydrophobicContact CD2-CG 3.59Å; Y52-F81 AromaticContact CD2-CZ 3.99Å; Y52-F81 HydrophobicContact CD2-CZ 3.99Å; Y52-F81 HydrophobicContact CE2-CB 4.29Å; Y52-F81 HydrophobicContact CE2-CD1 4.04Å; Y52-F81 HydrophobicContact CE2-CG 4.1Å; Y52-F81 HydrophobicContact CG-CD1 4.12Å; Y52-F81 AromaticContact CG-CE1 3.91Å; Y52-F81 HydrophobicContact CG-CE1 3.91Å; Y52-F81 HydrophobicContact CG-CZ 4.22Å; H77-F81 WeakPolarHBondContact O-CB 3.41Å; H77-F81 PolarHBondContact O-N 2.89Å; H77-F81 VanDerWaalsContact O-N 3.11Å; F78-F81 HydrophobicContact CD2-CD1 4.35Å; F78-F81 HydrophobicContact CE2-CD1 4.36Å; F78-F81 PolarHBondContact O-N 2.82Å; F81-E83 PolarHBondContact O-N 3.27Å; F81-E84 PolarHBondContact O-N 2.64Å; F81-I85 HydrophobicContact CD2-CG1 4.19Å; F81-I85 HydrophobicContact CE1-CG1 4.31Å; F81-I85 HydrophobicContact CE2-CD1 4.27Å; F81-I85 HydrophobicContact CE2-CG1 3.75Å; F81-I85 HydrophobicContact CZ-CG1 3.82Å; F81-I85 WeakPolarHBondContact O-CG1 3.38Å; F81-I85 PolarHBondContact O-N 3.13Å; F81-V101 HydrophobicContact CE1-CG1 4.41Å; F81-V101 HydrophobicContact CE1-CG2 4.11Å; F81-V113 HydrophobicContact CE1-CG2 4.05Å; F81-V113 HydrophobicContact CZ-CG2 3.82Å; F81-F135 AromaticContact CD2-CE1 3.66Å; F81-F135 HydrophobicContact CD2-CE1 3.66Å; F81-F135 AromaticContact CD2-CZ 3.71Å; F81-F135 HydrophobicContact CD2-CZ 3.71Å; F81-F135 HydrophobicContact CE2-CD1 4.38Å; F81-F135 AromaticContact CE2-CE1 3.58Å; F81-F135 HydrophobicContact CE2-CE1 3.58Å; F81-F135 AromaticContact CE2-CZ 3.91Å; F81-F135 HydrophobicContact CE2-CZ 3.91Å
82F98.5Very high96.4Very high5 Ų556.4 Ų56.42%0.02228%0.279CS..Hα-helixtrans-64.5-43.2-177.2-169.4-76.2000111.2F78 D79 E80 F86 M99 V101 I177 L181 L185 Y186F78-F82 HydrophobicContact CE2-CD2 4.48Å; F78-F82 AromaticContact CZ-CD2 3.97Å; F78-F82 HydrophobicContact CZ-CD2 3.97Å; F78-F82 WeakPolarHBondContact O-CB 3.43Å; F78-F82 PolarHBondContact O-N 3.22Å; D79-F82 PolarHBondContact O-N 3.14Å; E80-F82 VanDerWaalsContact C-N 3.35Å; E80-F82 PolarHBondContact O-N 3.25Å; F82-F86 HydrophobicContact CD1-CB 4.36Å; F82-F86 HydrophobicContact CE1-CB 4.37Å; F82-F86 AromaticContact CE1-CD2 3.96Å; F82-F86 HydrophobicContact CE1-CD2 3.96Å; F82-F86 HydrophobicContact CE1-CG 4.47Å; F82-F86 WeakPolarHBondContact O-CB 3.46Å; F82-F86 PolarHBondContact O-N 3.45Å; F82-M99 HydrophobicContact CB-CE 4.31Å; F82-M99 HydrophobicContact CD1-CE 3.46Å; F82-M99 VanDerWaalsContact CD1-CE 3.46Å; F82-M99 HydrophobicContact CD2-CE 3.46Å; F82-M99 VanDerWaalsContact CD2-CE 3.46Å; F82-M99 HydrophobicContact CE1-CE 3.47Å; F82-M99 VanDerWaalsContact CE1-CE 3.47Å; F82-M99 HydrophobicContact CE2-CB 4.35Å; F82-M99 HydrophobicContact CE2-CE 3.47Å; F82-M99 VanDerWaalsContact CE2-CE 3.47Å; F82-M99 HydrophobicContact CE2-CG 4.15Å; F82-M99 WeakPolarHBondContact CE2-O 3.28Å; F82-M99 HydrophobicContact CG-CE 3.45Å; F82-M99 VanDerWaalsContact CG-CE 3.45Å; F82-M99 HydrophobicContact CZ-CB 3.88Å; F82-M99 HydrophobicContact CZ-CE 3.47Å; F82-M99 VanDerWaalsContact CZ-CE 3.47Å; F82-M99 HydrophobicContact CZ-CG 4.12Å; F82-M99 WeakPolarHBondContact CZ-O 3.39Å; F82-M99 VanDerWaalsContact O-CE 3.26Å; F82-M99 WeakPolarHBondContact O-CE 3.43Å; F82-V101 HydrophobicContact CD2-CG2 3.84Å; F82-V101 HydrophobicContact CE2-CG2 4.15Å; F82-I177 HydrophobicContact CB-CG2 3.92Å; F82-I177 HydrophobicContact CD1-CD1 4.45Å; F82-I177 HydrophobicContact CD1-CG2 3.76Å; F82-I177 HydrophobicContact CD2-CG2 3.34Å; F82-I177 HydrophobicContact CE1-CD1 3.98Å; F82-I177 HydrophobicContact CE1-CG2 4.06Å; F82-I177 HydrophobicContact CE2-CG2 3.67Å; F82-I177 HydrophobicContact CG-CG2 3.39Å; F82-I177 HydrophobicContact CZ-CD1 4.16Å; F82-I177 HydrophobicContact CZ-CG2 4.02Å; F82-L181 HydrophobicContact CB-CD2 4.11Å; F82-L181 HydrophobicContact CD1-CD2 4.1Å; F82-L181 HydrophobicContact CG-CD2 4.4Å; F82-L185 HydrophobicContact CD1-CD1 3.67Å; F82-L185 HydrophobicContact CE1-CD1 3.65Å; F82-Y186 HydrophobicContact CE1-CE2 4.49Å
83E98.1Very high96.8Very high62 Ų6253.3 Ų53.329%0.2925%0.251SS..Hα-helixtrans-64-41.9178.2-172.7156.1-145.300112D79 E80 F81 T87 L181 R184 L185D79-E83 VanDerWaalsContact O-CB 3.32Å; D79-E83 WeakPolarHBondContact O-CB 3.43Å; D79-E83 PolarHBondContact O-N 3.47Å; E80-E83 PolarHBondContact O-N 2.84Å; F81-E83 PolarHBondContact O-N 3.27Å; E83-T87 VanDerWaalsContact O-CB 3.28Å; E83-T87 WeakPolarHBondContact O-CB 3.45Å; E83-T87 PolarHBondContact O-N 3.41Å; E83-T87 PolarHBondContact O-OG1 3.4Å; E83-L181 HydrophobicContact CB-CD1 3.83Å; E83-L181 HydrophobicContact CG-CD1 4.06Å; E83-R184 VanDerWaalsContact CD-NH1 3.26Å; E83-R184 WeakPolarHBondContact OE1-CD 3.29Å; E83-R184 IonicContact OE1-CZ 3.98Å; E83-R184 IonicContact OE1-NH1 3.96Å; E83-R184 PolarHBondContact OE1-NH1 3.24Å; E83-R184 IonicContact OE2-NH1 2.87Å; E83-R184 PolarHBondContact OE2-NH1 3.03Å; E83-L185 HydrophobicContact CG-CD2 4.39Å
84E98.1Very high97.1Very high115 Ų11549.4 Ų49.454%0.53724%0.237SC..Hα-helixtrans-61.4-53177.9-174.3176.6170.900111.2E80 F81 F86 E88 F135E80-E84 WeakPolarHBondContact O-CB 3.17Å; E80-E84 PolarHBondContact O-N 2.77Å; F81-E84 PolarHBondContact O-N 2.64Å; E84-F86 PolarHBondContact O-N 3.48Å; E84-E88 WeakPolarHBondContact O-CB 3.48Å; E84-E88 PolarHBondContact O-N 3.08Å; E84-E88 VanDerWaalsContact O-N 3.09Å; E84-F135 HydrophobicContact CG-CE2 4.24Å; E84-F135 WeakPolarHBondContact OE1-CE2 3.3Å
85I98.4Very high97.4Very high10 Ų1051.5 Ų51.55%0.05125%0.247CC..Hα-helixtrans-63.2-46179.1-61.2-56.4000110.9L48 L51 F81 T87 V89 M99 I115 F135L48-I85 HydrophobicContact CD1-CG2 4.46Å; L51-I85 HydrophobicContact CD2-CD1 3.89Å; L51-I85 HydrophobicContact CD2-CG1 4.34Å; F81-I85 HydrophobicContact CD2-CG1 4.19Å; F81-I85 HydrophobicContact CE1-CG1 4.31Å; F81-I85 HydrophobicContact CE2-CD1 4.27Å; F81-I85 HydrophobicContact CE2-CG1 3.75Å; F81-I85 HydrophobicContact CZ-CG1 3.82Å; F81-I85 WeakPolarHBondContact O-CG1 3.38Å; F81-I85 PolarHBondContact O-N 3.13Å; I85-T87 PolarHBondContact O-N 3.28Å; I85-V89 HydrophobicContact CG2-CG2 4.1Å; I85-V89 VanDerWaalsContact O-CB 3.22Å; I85-V89 WeakPolarHBondContact O-CB 3.29Å; I85-V89 WeakPolarHBondContact O-CG2 3.48Å; I85-V89 PolarHBondContact O-N 2.74Å; I85-M99 HydrophobicContact CB-CE 4.3Å; I85-M99 HydrophobicContact CB-SD 4.44Å; I85-M99 HydrophobicContact CG2-CE 4.33Å; I85-M99 HydrophobicContact CG2-SD 3.84Å; I85-I115 HydrophobicContact CG2-CD1 4.28Å; I85-F135 HydrophobicContact CD1-CD2 3.75Å; I85-F135 HydrophobicContact CD1-CE1 4.48Å; I85-F135 HydrophobicContact CD1-CE2 3.53Å; I85-F135 HydrophobicContact CD1-CG 4.32Å; I85-F135 HydrophobicContact CD1-CZ 3.93Å; I85-F135 HydrophobicContact CG1-CE2 4.46Å; I85-F135 HydrophobicContact CG1-CZ 4.5Å
86F98.5Very high97.6Very high1 Ų148.6 Ų48.60%0.00423%0.233CC..Hα-helixtrans-59.9-50.7-177.5-171.7-81.6000111.6F82 E84 E90 I96 M99 L185 Y186F82-F86 HydrophobicContact CD1-CB 4.36Å; F82-F86 HydrophobicContact CE1-CB 4.37Å; F82-F86 AromaticContact CE1-CD2 3.96Å; F82-F86 HydrophobicContact CE1-CD2 3.96Å; F82-F86 HydrophobicContact CE1-CG 4.47Å; F82-F86 WeakPolarHBondContact O-CB 3.46Å; F82-F86 PolarHBondContact O-N 3.45Å; E84-F86 PolarHBondContact O-N 3.48Å; F86-E90 HydrophobicContact CE1-CB 4.49Å; F86-E90 WeakPolarHBondContact O-CB 3.31Å; F86-E90 PolarHBondContact O-N 2.94Å; F86-I96 HydrophobicContact CD1-CD1 4.49Å; F86-I96 HydrophobicContact CD2-CD1 3.96Å; F86-I96 HydrophobicContact CD2-CG2 4.27Å; F86-I96 HydrophobicContact CE2-CB 3.97Å; F86-I96 HydrophobicContact CE2-CD1 4.13Å; F86-I96 HydrophobicContact CE2-CG2 3.68Å; F86-I96 HydrophobicContact CG-CD1 4.16Å; F86-I96 HydrophobicContact CZ-CB 4.11Å; F86-I96 HydrophobicContact CZ-CD1 4.47Å; F86-I96 HydrophobicContact CZ-CG2 4.29Å; F86-I96 WeakPolarHBondContact O-CD1 3.44Å; F86-M99 HydrophobicContact CB-CE 3.75Å; F86-M99 HydrophobicContact CB-SD 4.31Å; F86-M99 HydrophobicContact CD2-CB 4.06Å; F86-M99 HydrophobicContact CD2-CE 4.2Å; F86-M99 HydrophobicContact CD2-SD 4.33Å; F86-M99 HydrophobicContact CE2-CB 4.45Å; F86-L185 HydrophobicContact CB-CD1 4.01Å; F86-L185 HydrophobicContact CD1-CB 4.26Å; F86-L185 HydrophobicContact CD1-CD1 4.02Å; F86-L185 HydrophobicContact CD1-CD2 3.83Å; F86-L185 HydrophobicContact CD1-CG 4.25Å; F86-L185 HydrophobicContact CD2-CD1 4.18Å; F86-L185 HydrophobicContact CE1-CB 4.03Å; F86-L185 HydrophobicContact CE1-CD2 4.26Å; F86-L185 HydrophobicContact CG-CD1 3.8Å; F86-L185 HydrophobicContact CG-CD2 4.41Å; F86-L185 HydrophobicContact CZ-CB 4.23Å; F86-Y186 AromaticContact CE2-CE1 3.87Å; F86-Y186 HydrophobicContact CE2-CE1 3.87Å; F86-Y186 HydrophobicContact CE2-CE2 4.23Å; F86-Y186 AromaticContact CE2-CZ 3.6Å; F86-Y186 WeakPolarHBondContact CE2-OH 3.48Å; F86-Y186 HydrophobicContact CZ-CE1 4.15Å
87T97.7Very high97.7Very high46 Ų4647.2 Ų47.228%0.28223%0.227SC..Hα-helixtrans-66.6-47-175.2-52.40000110.7E83 I85 V89 E90 E91E83-T87 VanDerWaalsContact O-CB 3.28Å; E83-T87 WeakPolarHBondContact O-CB 3.45Å; E83-T87 PolarHBondContact O-N 3.41Å; E83-T87 PolarHBondContact O-OG1 3.4Å; I85-T87 PolarHBondContact O-N 3.28Å; T87-V89 PolarHBondContact O-N 2.96Å; T87-E90 PolarHBondContact O-N 3Å; T87-E91 HydrophobicContact CG2-CG 4.3Å; T87-E91 WeakPolarHBondContact CG2-OE1 3.16Å; T87-E91 WeakPolarHBondContact O-CB 3.48Å; T87-E91 VanDerWaalsContact O-CG 3.29Å; T87-E91 WeakPolarHBondContact O-CG 3.22Å; T87-E91 PolarHBondContact O-N 3.43Å
88E98Very high97.8Very high55 Ų5547.1 Ų47.126%0.25723%0.227SC..Hα-helixtrans-60.3-45179.9176.166.8-175.400112.3E84 K92 R133E84-E88 WeakPolarHBondContact O-CB 3.48Å; E84-E88 PolarHBondContact O-N 3.08Å; E84-E88 VanDerWaalsContact O-N 3.09Å; E88-K92 WeakPolarHBondContact O-CB 3.41Å; E88-K92 WeakPolarHBondContact O-CG 3.25Å; E88-K92 PolarHBondContact O-N 3.23Å; E88-K92 WeakPolarHBondContact OE1-CD 3.36Å; E88-K92 WeakPolarHBondContact OE1-CE 3.4Å; E88-K92 IonicContact OE1-NZ 2.69Å; E88-K92 PolarHBondContact OE1-NZ 2.98Å; E88-K92 IonicContact OE2-NZ 3.23Å; E88-R133 IonicContact OE1-CZ 3.84Å; E88-R133 IonicContact OE1-NH1 2.89Å; E88-R133 PolarHBondContact OE1-NH1 2.53Å; E88-R133 IonicContact OE1-NH2 2.94Å; E88-R133 PolarHBondContact OE1-NH2 2.86Å
89V98.5Very high97.9Very high3 Ų347.3 Ų47.32%0.01823%0.227CC..Hα-helixtrans-70.3-42-179.7170.90000110.9I85 T87 Y93 I96 I115 F117I85-V89 HydrophobicContact CG2-CG2 4.1Å; I85-V89 VanDerWaalsContact O-CB 3.22Å; I85-V89 WeakPolarHBondContact O-CB 3.29Å; I85-V89 WeakPolarHBondContact O-CG2 3.48Å; I85-V89 PolarHBondContact O-N 2.74Å; T87-V89 PolarHBondContact O-N 2.96Å; V89-Y93 HydrophobicContact CB-CD2 4.15Å; V89-Y93 HydrophobicContact CB-CE2 4.42Å; V89-Y93 HydrophobicContact CG1-CD2 3.82Å; V89-Y93 HydrophobicContact CG1-CE2 4.43Å; V89-Y93 HydrophobicContact CG2-CD2 4.41Å; V89-Y93 HydrophobicContact CG2-CE2 4.23Å; V89-Y93 VanDerWaalsContact O-CD2 3.27Å; V89-Y93 WeakPolarHBondContact O-CD2 3.22Å; V89-Y93 PolarHBondContact O-N 2.93Å; V89-I96 HydrophobicContact CB-CD1 4.03Å; V89-I96 HydrophobicContact CG1-CD1 3.8Å; V89-I96 HydrophobicContact CG1-CG1 4.27Å; V89-I115 HydrophobicContact CG1-CD1 4.17Å; V89-I115 HydrophobicContact CG1-CG2 4.14Å; V89-I115 HydrophobicContact CG2-CD1 4.2Å; V89-F117 HydrophobicContact CG1-CE1 3.69Å; V89-F117 HydrophobicContact CG1-CE2 4.47Å; V89-F117 HydrophobicContact CG1-CZ 3.37Å
90E98Very high97.9Very high61 Ų6147.3 Ų47.329%0.28523%0.227SC..Hα-helixtrans-64-45.2179.3-178.3171.7-11800111.8F86 T87 G94 I96 R189F86-E90 HydrophobicContact CE1-CB 4.49Å; F86-E90 WeakPolarHBondContact O-CB 3.31Å; F86-E90 PolarHBondContact O-N 2.94Å; T87-E90 PolarHBondContact O-N 3Å; E90-G94 WeakPolarHBondContact CA-O 3.43Å; E90-G94 PolarHBondContact O-N 3.36Å; E90-I96 HydrophobicContact CB-CD1 3.99Å; E90-I96 HydrophobicContact CB-CG1 4.21Å; E90-R189 IonicContact OE1-CZ 3.05Å; E90-R189 IonicContact OE1-NE 2.89Å; E90-R189 IonicContact OE1-NH2 3.94Å; E90-R189 PolarHBondContact OE1-NH2 3.43Å
91E97.4Very high98Very high151 Ų15142.4 Ų42.471%0.70621%0.205SC*.Hα-helixtrans-68.8-35.4-177.9-72.3-177.6176.900112.8T87T87-E91 HydrophobicContact CG2-CG 4.3Å; T87-E91 WeakPolarHBondContact CG2-OE1 3.16Å; T87-E91 WeakPolarHBondContact O-CB 3.48Å; T87-E91 VanDerWaalsContact O-CG 3.29Å; T87-E91 WeakPolarHBondContact O-CG 3.22Å; T87-E91 PolarHBondContact O-N 3.43Å
92K98.1Very high98Very high92 Ų9241.9 Ų41.940%0.420%0.202SC..Hα-helixtrans-90-35.2-174.6-72.2-172.7173.6-179.40114.8E88 K125E88-K92 WeakPolarHBondContact O-CB 3.41Å; E88-K92 WeakPolarHBondContact O-CG 3.25Å; E88-K92 PolarHBondContact O-N 3.23Å; E88-K92 WeakPolarHBondContact OE1-CD 3.36Å; E88-K92 WeakPolarHBondContact OE1-CE 3.4Å; E88-K92 IonicContact OE1-NZ 2.69Å; E88-K92 PolarHBondContact OE1-NZ 2.98Å; E88-K92 IonicContact OE2-NZ 3.23Å; K92-K125 PolarHBondContact O-NZ 2.79Å
93Y98.4Very high97.8Very high10 Ų1043.8 Ų43.84%0.03921%0.213CC..THydrogen-bonded Turntrans-112.6-47.1-169.5-47.4-62000112.3V89 D122 K125 A126 D129 L130 R133V89-Y93 HydrophobicContact CB-CD2 4.15Å; V89-Y93 HydrophobicContact CB-CE2 4.42Å; V89-Y93 HydrophobicContact CG1-CD2 3.82Å; V89-Y93 HydrophobicContact CG1-CE2 4.43Å; V89-Y93 HydrophobicContact CG2-CD2 4.41Å; V89-Y93 HydrophobicContact CG2-CE2 4.23Å; V89-Y93 VanDerWaalsContact O-CD2 3.27Å; V89-Y93 WeakPolarHBondContact O-CD2 3.22Å; V89-Y93 PolarHBondContact O-N 2.93Å; Y93-D122 WeakPolarHBondContact O-CB 3.34Å; Y93-D122 VanDerWaalsContact O-CG 3.23Å; Y93-K125 HydrophobicContact CD1-CD 4.3Å; Y93-K125 HydrophobicContact CD1-CG 4.24Å; Y93-A126 HydrophobicContact CD1-CB 4.02Å; Y93-A126 HydrophobicContact CD2-CB 3.68Å; Y93-A126 HydrophobicContact CE2-CB 4.19Å; Y93-A126 HydrophobicContact CG-CB 3.57Å; Y93-D129 HydrophobicContact CE1-CB 3.62Å; Y93-D129 WeakPolarHBondContact CE1-OD2 3.48Å; Y93-D129 PolarHBondContact OH-OD2 3.24Å; Y93-L130 HydrophobicContact CE2-CD1 4.08Å; Y93-L130 HydrophobicContact CE2-CD2 3.9Å; Y93-L130 HydrophobicContact CE2-CG 3.87Å; Y93-L130 VanDerWaalsContact OH-CD2 3.26Å; Y93-L130 WeakPolarHBondContact OH-CD2 3.35Å; Y93-L130 WeakPolarHBondContact OH-CG 3.32Å; Y93-R133 PolarHBondContact OH-NH1 3.34Å
94G97.6Very high97.8Very high15 Ų1541 Ų4116%0.15520%0.2CC..  trans157.8-179176.700000114.5E90 I96 D122E90-G94 WeakPolarHBondContact CA-O 3.43Å; E90-G94 PolarHBondContact O-N 3.36Å; G94-I96 PolarHBondContact O-N 3.11Å; G94-D122 WeakPolarHBondContact CA-OD2 3.32Å
95E97.6Very high97.5Very high69 Ų6940 Ų4032%0.32220%0.197SC..  trans-63.4121-173.1-175.9-177.4175.700111.8F117 R118 R189E95-F117 CarbonylContact O-C 3.42Å; E95-F117 WeakPolarHBondContact O-CA 3.45Å; E95-R118 HydrophobicContact CB-CB 4.14Å; E95-R118 HydrophobicContact CG-CB 4.46Å; E95-R118 PolarHBondContact O-N 3.3Å; E95-R118 IonicContact OE1-NH1 3.5Å; E95-R118 WeakPolarHBondContact OE2-CD 3.14Å; E95-R118 IonicContact OE2-CZ 3.7Å; E95-R118 IonicContact OE2-NE 3.73Å; E95-R118 IonicContact OE2-NH1 2.86Å; E95-R118 PolarHBondContact OE2-NH1 3.25Å; E95-R189 IonicContact OE1-CZ 3.38Å; E95-R189 IonicContact OE1-NE 3.7Å; E95-R189 IonicContact OE1-NH1 3.67Å; E95-R189 PolarHBondContact OE1-NH1 3.01Å
96I97.9Very high97.3Very high0 Ų039.8 Ų39.80%020%0.198CC..EExtended strand (participates in β ladder)trans-84.5115.3178.4-63.7175.4000110.5F86 V89 E90 G94 M99 I115 K116 F117 R189F86-I96 HydrophobicContact CD1-CD1 4.49Å; F86-I96 HydrophobicContact CD2-CD1 3.96Å; F86-I96 HydrophobicContact CD2-CG2 4.27Å; F86-I96 HydrophobicContact CE2-CB 3.97Å; F86-I96 HydrophobicContact CE2-CD1 4.13Å; F86-I96 HydrophobicContact CE2-CG2 3.68Å; F86-I96 HydrophobicContact CG-CD1 4.16Å; F86-I96 HydrophobicContact CZ-CB 4.11Å; F86-I96 HydrophobicContact CZ-CD1 4.47Å; F86-I96 HydrophobicContact CZ-CG2 4.29Å; F86-I96 WeakPolarHBondContact O-CD1 3.44Å; V89-I96 HydrophobicContact CB-CD1 4.03Å; V89-I96 HydrophobicContact CG1-CD1 3.8Å; V89-I96 HydrophobicContact CG1-CG1 4.27Å; E90-I96 HydrophobicContact CB-CD1 3.99Å; E90-I96 HydrophobicContact CB-CG1 4.21Å; G94-I96 PolarHBondContact O-N 3.11Å; I96-M99 HydrophobicContact CG2-CB 4.14Å; I96-I115 HydrophobicContact CB-CG2 4.49Å; I96-I115 HydrophobicContact CD1-CG2 4.02Å; I96-I115 HydrophobicContact CG1-CG2 3.86Å; I96-I115 HydrophobicContact CG2-CG2 3.99Å; I96-K116 CarbonylContact C-O 3.57Å; I96-F117 HydrophobicContact CG1-CD1 4.38Å; I96-F117 HydrophobicContact CG1-CE1 4.2Å; I96-R189 PolarHBondContact O-NH1 3.4Å; I96-R189 PolarHBondContact O-NH2 3.22Å
97E96.9Very high97.1Very high83 Ų8347.8 Ų47.839%0.38824%0.235SC..EExtended strand (participates in β ladder)trans-67.5-44.5171.6-68.4-169.7162.100112.6K116 R118E97-K116 HydrophobicContact CB-CG 4.33Å; E97-K116 PolarHBondContact N-O 2.83Å; E97-K116 VanDerWaalsContact OE2-CE 3.24Å; E97-K116 WeakPolarHBondContact OE2-CE 3.29Å; E97-K116 IonicContact OE2-NZ 2.63Å; E97-R118 HydrophobicContact CG-CB 4.14Å
98E97.3Very high97Very high75 Ų7547.4 Ų47.435%0.3523%0.23SC..EExtended strand (participates in β ladder)trans-154.6137.4-176.2-169.2173.3168.600110.5N100 K116 F150E98-N100 PolarHBondContact OE1-ND2 2.93Å; E98-K116 PolarHBondContact N-O 2.91Å; E98-K116 PolarHBondContact O-N 3.5Å; E98-F150 HydrophobicContact CB-CD2 4.39Å; E98-F150 HydrophobicContact CB-CE2 4.23Å; E98-F150 HydrophobicContact CG-CD2 4.14Å; E98-F150 HydrophobicContact CG-CE2 4.31Å
99M98.5Very high96.9Very high3 Ų344.8 Ų44.82%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-127132.5171.3-176171.789.700110.4F82 I85 F86 I96 V113 Y114 I115 Y186F82-M99 HydrophobicContact CB-CE 4.31Å; F82-M99 HydrophobicContact CD1-CE 3.46Å; F82-M99 VanDerWaalsContact CD1-CE 3.46Å; F82-M99 HydrophobicContact CD2-CE 3.46Å; F82-M99 VanDerWaalsContact CD2-CE 3.46Å; F82-M99 HydrophobicContact CE1-CE 3.47Å; F82-M99 VanDerWaalsContact CE1-CE 3.47Å; F82-M99 HydrophobicContact CE2-CB 4.35Å; F82-M99 HydrophobicContact CE2-CE 3.47Å; F82-M99 VanDerWaalsContact CE2-CE 3.47Å; F82-M99 HydrophobicContact CE2-CG 4.15Å; F82-M99 WeakPolarHBondContact CE2-O 3.28Å; F82-M99 HydrophobicContact CG-CE 3.45Å; F82-M99 VanDerWaalsContact CG-CE 3.45Å; F82-M99 HydrophobicContact CZ-CB 3.88Å; F82-M99 HydrophobicContact CZ-CE 3.47Å; F82-M99 VanDerWaalsContact CZ-CE 3.47Å; F82-M99 HydrophobicContact CZ-CG 4.12Å; F82-M99 WeakPolarHBondContact CZ-O 3.39Å; F82-M99 VanDerWaalsContact O-CE 3.26Å; F82-M99 WeakPolarHBondContact O-CE 3.43Å; I85-M99 HydrophobicContact CB-CE 4.3Å; I85-M99 HydrophobicContact CB-SD 4.44Å; I85-M99 HydrophobicContact CG2-CE 4.33Å; I85-M99 HydrophobicContact CG2-SD 3.84Å; F86-M99 HydrophobicContact CB-CE 3.75Å; F86-M99 HydrophobicContact CB-SD 4.31Å; F86-M99 HydrophobicContact CD2-CB 4.06Å; F86-M99 HydrophobicContact CD2-CE 4.2Å; F86-M99 HydrophobicContact CD2-SD 4.33Å; F86-M99 HydrophobicContact CE2-CB 4.45Å; I96-M99 HydrophobicContact CG2-CB 4.14Å; M99-V113 HydrophobicContact CG-CG1 3.95Å; M99-V113 HydrophobicContact SD-CG1 4.02Å; M99-Y114 CarbonylContact C-O 3.58Å; M99-Y114 VanDerWaalsContact CA-O 3.26Å; M99-Y114 WeakPolarHBondContact CA-O 3.37Å; M99-I115 HydrophobicContact CB-CG1 4.31Å; M99-I115 HydrophobicContact CG-CG1 3.66Å; M99-I115 HydrophobicContact SD-CD1 4.17Å; M99-I115 HydrophobicContact SD-CG1 3.68Å; M99-Y186 PolarHBondContact N-OH 2.97Å
100N98.4Very high96.8Very high21 Ų2146.9 Ų46.911%0.11223%0.228CC..EExtended strand (participates in β ladder)trans-133.6138-173.4-77.9-40.2000110.3E98 V113 Y114 F150 L174E98-N100 PolarHBondContact OE1-ND2 2.93Å; N100-V113 CarbonylContact O-C 3.55Å; N100-V113 WeakPolarHBondContact O-CA 3.43Å; N100-Y114 PolarHBondContact N-O 2.83Å; N100-Y114 PolarHBondContact O-N 2.86Å; N100-F150 WeakPolarHBondContact ND2-CD2 3.26Å; N100-F150 VanDerWaalsContact ND2-CG 3.33Å; N100-F150 WeakPolarHBondContact ND2-CG 3.47Å; N100-L174 HydrophobicContact CB-CD1 4.29Å; N100-L174 HydrophobicContact CB-CD2 3.79Å; N100-L174 WeakPolarHBondContact OD1-CD1 3.43Å
101V98.4Very high96.7Very high1 Ų144.1 Ų44.11%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-120.1130.2178.5-1740000109.5Y52 F78 F81 F82 N112 V113 L174 K175Y52-V101 HydrophobicContact CD1-CG1 3.84Å; Y52-V101 HydrophobicContact CG-CG1 3.86Å; F78-V101 HydrophobicContact CE2-CB 3.75Å; F78-V101 HydrophobicContact CE2-CG1 3.9Å; F78-V101 HydrophobicContact CE2-CG2 3.85Å; F78-V101 HydrophobicContact CZ-CB 3.9Å; F78-V101 HydrophobicContact CZ-CG2 4.02Å; F81-V101 HydrophobicContact CE1-CG1 4.41Å; F81-V101 HydrophobicContact CE1-CG2 4.11Å; F82-V101 HydrophobicContact CD2-CG2 3.84Å; F82-V101 HydrophobicContact CE2-CG2 4.15Å; V101-N112 WeakPolarHBondContact CA-O 3.12Å; V101-V113 HydrophobicContact CG1-CG2 4.25Å; V101-V113 HydrophobicContact CG2-CG1 4.25Å; V101-V113 HydrophobicContact CG2-CG2 4.12Å; V101-L174 WeakPolarHBondContact O-CA 3.22Å; V101-K175 PolarHBondContact O-N 2.94Å
102C97.7Very high96.8Very high1 Ų137 Ų371%0.00718%0.183CC..BIsolated β-bridgetrans-83125.6-178.7-69.40000112.2N104 M109 G111 N112 Y114 H173C102-N104 VanDerWaalsContact C-N 3.32Å; C102-M109 WeakPolarHBondContact CB-O 3.15Å; C102-G111 WeakPolarHBondContact O-CA 3.27Å; C102-G111 PolarHBondContact O-N 3.49Å; C102-N112 HydrophobicContact CB-CB 4.19Å; C102-N112 PolarHBondContact N-O 3.02Å; C102-Y114 VanDerWaalsContact SG-CE2 3.56Å; C102-H173 CarbonylContact C-O 3.55Å; C102-H173 VanDerWaalsContact CA-O 3.31Å; C102-H173 WeakPolarHBondContact CA-O 3.49Å
103D95.4Very high96.8Very high45 Ų4532.7 Ų32.724%0.24116%0.164CC..  trans-96.716.9170.3-155.247.1000111.4Y158 H173 K175D103-Y158 PolarHBondContact OD2-OH 3.14Å; D103-H173 HydrophobicContact CB-CB 4.46Å; D103-H173 PolarHBondContact N-O 3.45Å; D103-K175 HydrophobicContact CB-CB 4.03Å; D103-K175 IonicContact OD1-NZ 3.11Å; D103-K175 PolarHBondContact OD1-NZ 3.37Å
104N96.1Very high96.8Very high3 Ų332.2 Ų32.22%0.01616%0.162CC..  trans-61.6148.6174.1-69.880.2000110.4C102 M109 I110 F171 H173C102-N104 VanDerWaalsContact C-N 3.32Å; N104-M109 HydrophobicContact CB-CB 3.42Å; N104-M109 VanDerWaalsContact CB-CB 3.42Å; N104-M109 HydrophobicContact CB-CG 4.43Å; N104-I110 VanDerWaalsContact O-CA 3.26Å; N104-I110 WeakPolarHBondContact O-CA 3.45Å; N104-I110 VanDerWaalsContact O-CB 3.23Å; N104-I110 WeakPolarHBondContact O-CB 3.39Å; N104-I110 VanDerWaalsContact O-CG1 3.26Å; N104-I110 WeakPolarHBondContact O-CG1 3.39Å; N104-F171 PolarHBondContact ND2-O 3.11Å; N104-H173 PolarHBondContact OD1-N 3.42Å
105I93.3Very high96.9Very high95 Ų9531.5 Ų31.549%0.48716%0.155SC..  trans-88.7-26.9174.3-62.8169.4000111.4M57 E107M57-I105 HydrophobicContact CE-CB 4.41Å; M57-I105 HydrophobicContact CE-CG1 4.18Å; M57-I105 HydrophobicContact CE-CG2 3.86Å; I105-E107 PolarHBondContact O-N 2.97Å
106G94.3Very high96.9Very high6 Ų629.9 Ų29.96%0.06215%0.147CC..SBendtrans-64.5132.8-177.600000111.6H108 M109 I110 G167G106-H108 VanDerWaalsContact C-N 3.25Å; G106-H108 PolarHBondContact O-N 2.96Å; G106-H108 VanDerWaalsContact O-N 3.14Å; G106-M109 PolarHBondContact O-N 2.84Å; G106-I110 PolarHBondContact O-N 3.35Å; G106-G167 WeakPolarHBondContact CA-O 3.31Å
107E93.9Very high97Very high169 Ų16929.9 Ų29.979%0.7915%0.147SC*.THydrogen-bonded Turntrans-49.7-42-175.9-174.8-177.4176.600113.7N50 I105 M109N50-E107 PolarHBondContact ND2-O 3.41Å; I105-E107 PolarHBondContact O-N 2.97Å; E107-M109 PolarHBondContact O-N 3.42Å; E107-M109 VanDerWaalsContact O-N 3.11Å
108H95.5Very high97Very high37 Ų3732.4 Ų32.417%0.17115%0.153CC..THydrogen-bonded Turntrans-64.9-10.8177.666.1-64000115.5A26 R28 G106 N112 N170A26-H108 WeakPolarHBondContact CB-O 3.14Å; R28-H108 PolarHBondContact N-CD2 3.08Å; R28-H108 VanDerWaalsContact N-CD2 3.35Å; G106-H108 VanDerWaalsContact C-N 3.25Å; G106-H108 PolarHBondContact O-N 2.96Å; G106-H108 VanDerWaalsContact O-N 3.14Å; H108-N112 PolarHBondContact O-ND2 2.79Å; H108-N112 VanDerWaalsContact O-ND2 3.15Å; H108-N170 PolarHBondContact NE2-OD1 3.18Å
109M96.6Very high97Very high1 Ų136.1 Ų36.11%0.00516%0.164CC..THydrogen-bonded Turntrans-130.7-24.4-173.8-67.1-62.9-6500114.2I24 A26 C102 N104 G106 E107 G111 N112 Y114 M172I24-M109 HydrophobicContact CG2-CE 3.31Å; I24-M109 HydrophobicContact CG2-SD 3.48Å; I24-M109 WeakPolarHBondContact CG2-SD 3.2Å; A26-M109 HydrophobicContact CB-SD 3.48Å; A26-M109 WeakPolarHBondContact CB-SD 3.17Å; C102-M109 WeakPolarHBondContact CB-O 3.15Å; N104-M109 HydrophobicContact CB-CB 3.42Å; N104-M109 VanDerWaalsContact CB-CB 3.42Å; N104-M109 HydrophobicContact CB-CG 4.43Å; G106-M109 PolarHBondContact O-N 2.84Å; E107-M109 PolarHBondContact O-N 3.42Å; E107-M109 VanDerWaalsContact O-N 3.11Å; M109-G111 PolarHBondContact O-N 2.8Å; M109-N112 WeakPolarHBondContact CA-ND2 3.43Å; M109-N112 VanDerWaalsContact O-CB 3.31Å; M109-N112 WeakPolarHBondContact O-CB 3.4Å; M109-N112 PolarHBondContact O-N 2.94Å; M109-N112 VanDerWaalsContact O-N 3.14Å; M109-Y114 HydrophobicContact CE-CE2 4.49Å; M109-M172 HydrophobicContact CE-CG 3.8Å
110I95.6Very high97Very high47 Ų4739.6 Ų39.624%0.24118%0.18CC..THydrogen-bonded Turntrans-57125.5-170.9-175.1165.2000111.4N50 M57 N104 G106 N112N50-I110 WeakPolarHBondContact CA-O 3.43Å; N50-I110 PolarHBondContact ND2-O 2.93Å; M57-I110 HydrophobicContact CB-CD1 4.23Å; M57-I110 HydrophobicContact CE-CD1 4.08Å; M57-I110 HydrophobicContact CG-CD1 4.29Å; N104-I110 VanDerWaalsContact O-CA 3.26Å; N104-I110 WeakPolarHBondContact O-CA 3.45Å; N104-I110 VanDerWaalsContact O-CB 3.23Å; N104-I110 WeakPolarHBondContact O-CB 3.39Å; N104-I110 VanDerWaalsContact O-CG1 3.26Å; N104-I110 WeakPolarHBondContact O-CG1 3.39Å; G106-I110 PolarHBondContact O-N 3.35Å; I110-N112 PolarHBondContact O-N 2.8Å; I110-N112 VanDerWaalsContact O-N 3.07Å
111G96.5Very high97Very high2 Ų244.9 Ų44.92%0.02120%0.204CC..THydrogen-bonded Turntrans68.56.7176.400000115.6L51 Y52 C102 M109 V113L51-G111 PolarHBondContact N-O 3.4Å; L51-G111 VanDerWaalsContact N-O 3.15Å; Y52-G111 PolarHBondContact N-O 3.26Å; Y52-G111 VanDerWaalsContact O-CA 3.26Å; Y52-G111 WeakPolarHBondContact O-CA 3.16Å; C102-G111 WeakPolarHBondContact O-CA 3.27Å; C102-G111 PolarHBondContact O-N 3.49Å; M109-G111 PolarHBondContact O-N 2.8Å; G111-V113 PolarHBondContact O-N 2.89Å
112N98.4Very high97Very high3 Ų346.1 Ų46.12%0.01621%0.21CC..  trans-60.8131.5174.9-78.7-0.1000110.4L47 L48 Q49 N50 V101 C102 H108 M109 I110 Y114L47-N112 HydrophobicContact CD1-CB 3.61Å; L48-N112 WeakPolarHBondContact O-CA 3.26Å; Q49-N112 WeakPolarHBondContact CA-OD1 3.49Å; N50-N112 PolarHBondContact N-OD1 2.81Å; V101-N112 WeakPolarHBondContact CA-O 3.12Å; C102-N112 HydrophobicContact CB-CB 4.19Å; C102-N112 PolarHBondContact N-O 3.02Å; H108-N112 PolarHBondContact O-ND2 2.79Å; H108-N112 VanDerWaalsContact O-ND2 3.15Å; M109-N112 WeakPolarHBondContact CA-ND2 3.43Å; M109-N112 VanDerWaalsContact O-CB 3.31Å; M109-N112 WeakPolarHBondContact O-CB 3.4Å; M109-N112 PolarHBondContact O-N 2.94Å; M109-N112 VanDerWaalsContact O-N 3.14Å; I110-N112 PolarHBondContact O-N 2.8Å; I110-N112 VanDerWaalsContact O-N 3.07Å; N112-Y114 HydrophobicContact CB-CD2 4.44Å; N112-Y114 HydrophobicContact CB-CE2 3.74Å
113V98.7Very high97.1Very high0 Ų046.1 Ų46.10%021%0.21CC..EExtended strand (participates in β ladder)trans-108.5121.3175.3-175.10000108.6L48 L51 F81 M99 N100 V101 G111 I115L48-V113 HydrophobicContact CB-CB 4.14Å; L48-V113 HydrophobicContact CD1-CB 4.46Å; L48-V113 HydrophobicContact CG-CB 4.48Å; L48-V113 PolarHBondContact N-O 2.74Å; L48-V113 PolarHBondContact O-N 3.36Å; L51-V113 HydrophobicContact CB-CG2 4.04Å; L51-V113 HydrophobicContact CD2-CG2 4.34Å; F81-V113 HydrophobicContact CE1-CG2 4.05Å; F81-V113 HydrophobicContact CZ-CG2 3.82Å; M99-V113 HydrophobicContact CG-CG1 3.95Å; M99-V113 HydrophobicContact SD-CG1 4.02Å; N100-V113 CarbonylContact O-C 3.55Å; N100-V113 WeakPolarHBondContact O-CA 3.43Å; V101-V113 HydrophobicContact CG1-CG2 4.25Å; V101-V113 HydrophobicContact CG2-CG1 4.25Å; V101-V113 HydrophobicContact CG2-CG2 4.12Å; G111-V113 PolarHBondContact O-N 2.89Å; V113-I115 HydrophobicContact CG1-CD1 4.17Å; V113-I115 HydrophobicContact CG1-CG1 4.08Å
114Y98.8Very high97.2Very high0 Ų046.7 Ų46.70%021%0.213CC..EExtended strand (participates in β ladder)trans-103.3129.7174.3-65.4-99.2000109.2I24 I46 L47 M99 N100 C102 M109 N112 V147 F150 M172I24-Y114 WeakPolarHBondContact O-CE1 3.47Å; I24-Y114 VanDerWaalsContact O-CZ 3.25Å; I24-Y114 PolarHBondContact O-OH 2.96Å; I46-Y114 WeakPolarHBondContact O-CA 3.46Å; L47-Y114 HydrophobicContact CB-CD1 4.46Å; L47-Y114 HydrophobicContact CB-CE1 4.32Å; L47-Y114 HydrophobicContact CD1-CD1 4.26Å; L47-Y114 HydrophobicContact CD1-CD2 4.26Å; L47-Y114 HydrophobicContact CD1-CE1 3.9Å; L47-Y114 HydrophobicContact CD1-CE2 3.86Å; L47-Y114 HydrophobicContact CD1-CG 4.43Å; L47-Y114 HydrophobicContact CD2-CE1 4.37Å; L47-Y114 HydrophobicContact CG-CE1 4.43Å; M99-Y114 CarbonylContact C-O 3.58Å; M99-Y114 VanDerWaalsContact CA-O 3.26Å; M99-Y114 WeakPolarHBondContact CA-O 3.37Å; N100-Y114 PolarHBondContact N-O 2.83Å; N100-Y114 PolarHBondContact O-N 2.86Å; C102-Y114 VanDerWaalsContact SG-CE2 3.56Å; M109-Y114 HydrophobicContact CE-CE2 4.49Å; N112-Y114 HydrophobicContact CB-CD2 4.44Å; N112-Y114 HydrophobicContact CB-CE2 3.74Å; Y114-V147 HydrophobicContact CD1-CG2 4.47Å; Y114-V147 HydrophobicContact CE1-CG2 4.1Å; Y114-F150 VanDerWaalsContact CB-CE1 3.41Å; Y114-F150 AromaticContact CD1-CE1 3.97Å; Y114-F150 HydrophobicContact CD1-CE1 3.97Å; Y114-F150 AromaticContact CG-CE1 3.82Å; Y114-F150 HydrophobicContact CG-CE1 3.82Å; Y114-F150 HydrophobicContact CG-CZ 4.43Å; Y114-M172 HydrophobicContact CD1-CE 3.72Å; Y114-M172 HydrophobicContact CD2-CE 3.86Å; Y114-M172 HydrophobicContact CD2-SD 4.21Å; Y114-M172 HydrophobicContact CE1-CE 3.35Å; Y114-M172 HydrophobicContact CE2-CE 3.54Å; Y114-M172 HydrophobicContact CE2-SD 4.17Å; Y114-M172 HydrophobicContact CG-CE 3.96Å
115I98.8Very high97.3Very high0 Ų051.8 Ų51.80%024%0.235CC..EExtended strand (participates in β ladder)trans-127.1117.6178.1-62.2150.6000107.5T45 I46 L48 I85 V89 I96 M99 V113 F117T45-I115 CarbonylContact C-O 3.6Å; T45-I115 WeakPolarHBondContact CA-O 3.35Å; I46-I115 HydrophobicContact CD1-CB 4.38Å; I46-I115 HydrophobicContact CD1-CD1 4.13Å; I46-I115 HydrophobicContact CG1-CB 3.83Å; I46-I115 HydrophobicContact CG1-CD1 4.32Å; I46-I115 PolarHBondContact N-O 3.4Å; I46-I115 PolarHBondContact O-N 2.92Å; L48-I115 HydrophobicContact CD1-CD1 3.66Å; L48-I115 HydrophobicContact CG-CD1 4.18Å; I85-I115 HydrophobicContact CG2-CD1 4.28Å; V89-I115 HydrophobicContact CG1-CD1 4.17Å; V89-I115 HydrophobicContact CG1-CG2 4.14Å; V89-I115 HydrophobicContact CG2-CD1 4.2Å; I96-I115 HydrophobicContact CB-CG2 4.49Å; I96-I115 HydrophobicContact CD1-CG2 4.02Å; I96-I115 HydrophobicContact CG1-CG2 3.86Å; I96-I115 HydrophobicContact CG2-CG2 3.99Å; M99-I115 HydrophobicContact CB-CG1 4.31Å; M99-I115 HydrophobicContact CG-CG1 3.66Å; M99-I115 HydrophobicContact SD-CD1 4.17Å; M99-I115 HydrophobicContact SD-CG1 3.68Å; V113-I115 HydrophobicContact CG1-CD1 4.17Å; V113-I115 HydrophobicContact CG1-CG1 4.08Å; I115-F117 HydrophobicContact CB-CE2 4.42Å; I115-F117 HydrophobicContact CG2-CD2 4.11Å; I115-F117 HydrophobicContact CG2-CE1 4.35Å; I115-F117 HydrophobicContact CG2-CE2 3.72Å; I115-F117 HydrophobicContact CG2-CZ 3.87Å
116K98.6Very high97.6Very high36 Ų3647.2 Ų47.216%0.15721%0.212CC..EExtended strand (participates in β ladder)trans-98119.3171-176.8174.8-178.2177.10109Q44 I96 E97 E98 T148 F150Q44-K116 HydrophobicContact CB-CG 4.2Å; Q44-K116 CarbonylContact O-C 3.56Å; Q44-K116 WeakPolarHBondContact O-CA 3.43Å; I96-K116 CarbonylContact C-O 3.57Å; E97-K116 HydrophobicContact CB-CG 4.33Å; E97-K116 PolarHBondContact N-O 2.83Å; E97-K116 VanDerWaalsContact OE2-CE 3.24Å; E97-K116 WeakPolarHBondContact OE2-CE 3.29Å; E97-K116 IonicContact OE2-NZ 2.63Å; E98-K116 PolarHBondContact N-O 2.91Å; E98-K116 PolarHBondContact O-N 3.5Å; K116-T148 PolarHBondContact NZ-O 3.15Å; K116-F150 HydrophobicContact CB-CE2 3.83Å; K116-F150 HydrophobicContact CB-CZ 4.35Å; K116-F150 HydrophobicContact CD-CE2 4.43Å
117F98.6Very high97.8Very high0 Ų048 Ų480%022%0.215CC..EExtended strand (participates in β ladder)trans-86.8160.9173.1-67.6-87.9000111.2Q44 I46 V89 E95 I96 I115 R119 D122 A123 A126Q44-F117 WeakPolarHBondContact CB-O 3.31Å; Q44-F117 PolarHBondContact O-N 3.22Å; I46-F117 HydrophobicContact CD1-CE2 3.82Å; I46-F117 HydrophobicContact CD1-CZ 4.36Å; I46-F117 HydrophobicContact CG1-CE2 3.96Å; I46-F117 HydrophobicContact CG2-CD2 4.43Å; I46-F117 HydrophobicContact CG2-CE2 4.09Å; V89-F117 HydrophobicContact CG1-CE1 3.69Å; V89-F117 HydrophobicContact CG1-CE2 4.47Å; V89-F117 HydrophobicContact CG1-CZ 3.37Å; E95-F117 CarbonylContact O-C 3.42Å; E95-F117 WeakPolarHBondContact O-CA 3.45Å; I96-F117 HydrophobicContact CG1-CD1 4.38Å; I96-F117 HydrophobicContact CG1-CE1 4.2Å; I115-F117 HydrophobicContact CB-CE2 4.42Å; I115-F117 HydrophobicContact CG2-CD2 4.11Å; I115-F117 HydrophobicContact CG2-CE1 4.35Å; I115-F117 HydrophobicContact CG2-CE2 3.72Å; I115-F117 HydrophobicContact CG2-CZ 3.87Å; F117-R119 VanDerWaalsContact C-N 3.28Å; F117-R119 WeakPolarHBondContact CB-O 3.2Å; F117-D122 HydrophobicContact CB-CB 4.2Å; F117-D122 HydrophobicContact CD1-CB 3.84Å; F117-D122 HydrophobicContact CE1-CB 4.43Å; F117-D122 HydrophobicContact CG-CB 4.09Å; F117-A123 HydrophobicContact CD2-CB 3.65Å; F117-A123 HydrophobicContact CE2-CB 4.22Å; F117-A123 HydrophobicContact CG-CB 4.38Å; F117-A126 HydrophobicContact CE2-CB 3.94Å; F117-A126 HydrophobicContact CZ-CB 3.69Å
118R97.8Very high98Very high135 Ų13546 Ų4651%0.50920%0.204SC..SBendtrans-68.2-30.8170.4-174.9171.8-174139.610.4112.4Q44 E95 E97Q44-R118 PolarHBondContact NE2-O 2.71Å; E95-R118 HydrophobicContact CB-CB 4.14Å; E95-R118 HydrophobicContact CG-CB 4.46Å; E95-R118 PolarHBondContact O-N 3.3Å; E95-R118 IonicContact OE1-NH1 3.5Å; E95-R118 WeakPolarHBondContact OE2-CD 3.14Å; E95-R118 IonicContact OE2-CZ 3.7Å; E95-R118 IonicContact OE2-NE 3.73Å; E95-R118 IonicContact OE2-NH1 2.86Å; E95-R118 PolarHBondContact OE2-NH1 3.25Å; E97-R118 HydrophobicContact CG-CB 4.14Å
119R98.2Very high98.2Very high154 Ų15447.3 Ų47.358%0.58121%0.212SC*.SBendtrans-125.4141.8-175.5-64.6-177.8175.8177-1.5110.5F117 E121 D122F117-R119 VanDerWaalsContact C-N 3.28Å; F117-R119 WeakPolarHBondContact CB-O 3.2Å; R119-E121 VanDerWaalsContact C-N 3.29Å; R119-E121 WeakPolarHBondContact CB-OE2 3.4Å; R119-D122 HydrophobicContact CB-CB 4.4Å; R119-D122 PolarHBondContact O-N 3.47Å
120E98.2Very high98.3Very high76 Ų7647.5 Ų47.536%0.35521%0.213SC..Hα-helixtrans-70.5-29.9179.4-62.2-177.8169.200111.5F42 Q44 D122 A123 D124F42-E120 VanDerWaalsContact CD2-OE2 3.31Å; F42-E120 WeakPolarHBondContact CD2-OE2 3.48Å; Q44-E120 HydrophobicContact CB-CG 4.42Å; Q44-E120 HydrophobicContact CG-CG 3.47Å; Q44-E120 VanDerWaalsContact CG-CG 3.47Å; E120-D122 VanDerWaalsContact C-N 3.31Å; E120-D122 PolarHBondContact O-N 3.15Å; E120-A123 WeakPolarHBondContact O-CB 3.45Å; E120-A123 PolarHBondContact O-N 3.25Å; E120-D124 PolarHBondContact O-N 2.87Å
121E98.4Very high98.4Very high131 Ų13148.8 Ų48.861%0.61222%0.221SC*.Hα-helixtrans-66.6-34.7177.5-57.583.3177.300112R119 A123 K125R119-E121 VanDerWaalsContact C-N 3.29Å; R119-E121 WeakPolarHBondContact CB-OE2 3.4Å; E121-A123 VanDerWaalsContact C-N 3.34Å; E121-K125 WeakPolarHBondContact O-CB 3.49Å; E121-K125 PolarHBondContact O-N 2.88Å
122D98.6Very high98.5Very high28 Ų2853.4 Ų53.415%0.1525%0.249CC..Hα-helixtrans-67.9-39.1177.3-61.4-15.6000110.1Y93 G94 F117 R119 E120 A126Y93-D122 WeakPolarHBondContact O-CB 3.34Å; Y93-D122 VanDerWaalsContact O-CG 3.23Å; G94-D122 WeakPolarHBondContact CA-OD2 3.32Å; F117-D122 HydrophobicContact CB-CB 4.2Å; F117-D122 HydrophobicContact CD1-CB 3.84Å; F117-D122 HydrophobicContact CE1-CB 4.43Å; F117-D122 HydrophobicContact CG-CB 4.09Å; R119-D122 HydrophobicContact CB-CB 4.4Å; R119-D122 PolarHBondContact O-N 3.47Å; E120-D122 VanDerWaalsContact C-N 3.31Å; E120-D122 PolarHBondContact O-N 3.15Å; D122-A126 VanDerWaalsContact O-CB 3.29Å; D122-A126 WeakPolarHBondContact O-CB 3.37Å; D122-A126 PolarHBondContact O-N 3.35Å
123A98.7Very high98.4Very high0 Ų056.2 Ų56.20%026%0.259CS..Hα-helixtrans-64.5-47.417500000112.3S43 I46 F117 E120 E121 K125 A126 V127 L144S43-A123 WeakPolarHBondContact O-CB 3.41Å; I46-A123 HydrophobicContact CG2-CB 3.65Å; F117-A123 HydrophobicContact CD2-CB 3.65Å; F117-A123 HydrophobicContact CE2-CB 4.22Å; F117-A123 HydrophobicContact CG-CB 4.38Å; E120-A123 WeakPolarHBondContact O-CB 3.45Å; E120-A123 PolarHBondContact O-N 3.25Å; E121-A123 VanDerWaalsContact C-N 3.34Å; A123-K125 PolarHBondContact O-N 3.35Å; A123-A126 PolarHBondContact O-N 2.93Å; A123-V127 WeakPolarHBondContact O-CG2 2.96Å; A123-V127 PolarHBondContact O-N 2.8Å; A123-L144 HydrophobicContact CB-CD2 4.22Å
124D98.4Very high98.4Very high58 Ų5864.5 Ų64.531%0.3129%0.29SS..Hα-helixtrans-60.7-44.1176.6172.973.7000111.8E120 V127 K128E120-D124 PolarHBondContact O-N 2.87Å; D124-V127 PolarHBondContact O-N 3.2Å; D124-K128 WeakPolarHBondContact O-CG 3.39Å; D124-K128 PolarHBondContact O-N 3.44Å; D124-K128 WeakPolarHBondContact OD1-CE 2.94Å; D124-K128 IonicContact OD1-NZ 2.64Å; D124-K128 PolarHBondContact OD1-NZ 2.9Å; D124-K128 VanDerWaalsContact OD1-NZ 3.08Å; D124-K128 WeakPolarHBondContact OD2-CE 3.34Å; D124-K128 IonicContact OD2-NZ 2.6Å; D124-K128 PolarHBondContact OD2-NZ 3.21Å
125K98.5Very high98.2Very high109 Ų10966.5 Ų66.547%0.47430%0.299SS..Hα-helixtrans-60.3-45.9173.9-174.8-169.4176.8-163.10111.4K92 Y93 E121 A123 K128 D129K92-K125 PolarHBondContact O-NZ 2.79Å; Y93-K125 HydrophobicContact CD1-CD 4.3Å; Y93-K125 HydrophobicContact CD1-CG 4.24Å; E121-K125 WeakPolarHBondContact O-CB 3.49Å; E121-K125 PolarHBondContact O-N 2.88Å; A123-K125 PolarHBondContact O-N 3.35Å; K125-K128 PolarHBondContact O-N 3.39Å; K125-D129 PolarHBondContact O-N 3.05Å; K125-D129 VanDerWaalsContact O-N 3.08Å
126A98.7Very high97.9Very high0 Ų070 Ų700%034%0.335CS..Hα-helixtrans-60.1-46.4179.700000111.8I46 Y93 F117 D122 A123 K128 D129 L130I46-A126 HydrophobicContact CD1-CB 4.02Å; Y93-A126 HydrophobicContact CD1-CB 4.02Å; Y93-A126 HydrophobicContact CD2-CB 3.68Å; Y93-A126 HydrophobicContact CE2-CB 4.19Å; Y93-A126 HydrophobicContact CG-CB 3.57Å; F117-A126 HydrophobicContact CE2-CB 3.94Å; F117-A126 HydrophobicContact CZ-CB 3.69Å; D122-A126 VanDerWaalsContact O-CB 3.29Å; D122-A126 WeakPolarHBondContact O-CB 3.37Å; D122-A126 PolarHBondContact O-N 3.35Å; A123-A126 PolarHBondContact O-N 2.93Å; A126-K128 VanDerWaalsContact C-N 3.34Å; A126-K128 PolarHBondContact O-N 3.01Å; A126-D129 PolarHBondContact O-N 3.49Å; A126-L130 HydrophobicContact CB-CD1 4.17Å; A126-L130 WeakPolarHBondContact O-CB 3.43Å; A126-L130 WeakPolarHBondContact O-CG 3.26Å; A126-L130 PolarHBondContact O-N 3.04Å
127V98.6Very high97.6Very high21 Ų2171.2 Ų71.213%0.12736%0.358CS..Hα-helixtrans-59.3-45.1178.2170.40000111.4I46 A123 D124 N131 L144I46-V127 HydrophobicContact CB-CG2 4.04Å; I46-V127 HydrophobicContact CG2-CG2 3.58Å; A123-V127 WeakPolarHBondContact O-CG2 2.96Å; A123-V127 PolarHBondContact O-N 2.8Å; D124-V127 PolarHBondContact O-N 3.2Å; V127-N131 PolarHBondContact O-N 3.08Å; V127-N131 PolarHBondContact O-ND2 2.98Å; V127-L144 HydrophobicContact CG2-CD2 3.99Å; V127-L144 HydrophobicContact CG2-CG 4.26Å
128K98.3Very high97.4Very high129 Ų12975.3 Ų75.356%0.56138%0.378SS*.Hα-helixtrans-64-44.8-178.9-72.2168.5-177.8165.10112.3D124 K125 A126D124-K128 WeakPolarHBondContact O-CG 3.39Å; D124-K128 PolarHBondContact O-N 3.44Å; D124-K128 WeakPolarHBondContact OD1-CE 2.94Å; D124-K128 IonicContact OD1-NZ 2.64Å; D124-K128 PolarHBondContact OD1-NZ 2.9Å; D124-K128 VanDerWaalsContact OD1-NZ 3.08Å; D124-K128 WeakPolarHBondContact OD2-CE 3.34Å; D124-K128 IonicContact OD2-NZ 2.6Å; D124-K128 PolarHBondContact OD2-NZ 3.21Å; K125-K128 PolarHBondContact O-N 3.39Å; A126-K128 VanDerWaalsContact C-N 3.34Å; A126-K128 PolarHBondContact O-N 3.01Å
129D98.6Very high97.4Very high63 Ų6371.2 Ų71.234%0.33737%0.369SS..Hα-helixtrans-75.7-47.3-178.5-168.353.7000112Y93 K125 A126 N131 T132 R133Y93-D129 HydrophobicContact CE1-CB 3.62Å; Y93-D129 WeakPolarHBondContact CE1-OD2 3.48Å; Y93-D129 PolarHBondContact OH-OD2 3.24Å; K125-D129 PolarHBondContact O-N 3.05Å; K125-D129 VanDerWaalsContact O-N 3.08Å; A126-D129 PolarHBondContact O-N 3.49Å; D129-N131 VanDerWaalsContact C-N 3.27Å; D129-N131 PolarHBondContact O-N 3.49Å; D129-T132 WeakPolarHBondContact O-CB 3.32Å; D129-T132 PolarHBondContact O-N 3.2Å; D129-T132 PolarHBondContact O-OG1 3.44Å; D129-R133 WeakPolarHBondContact O-CG 3.2Å
130L98.6Very high97.4Very high5 Ų564.3 Ų64.33%0.02634%0.344CS..Hα-helixtrans-59.9-34.7-176-72.2170.2000112.9I46 L48 Y93 A126 T132 R133 I140 A142I46-L130 HydrophobicContact CD1-CD1 3.94Å; L48-L130 HydrophobicContact CD1-CD1 4.4Å; L48-L130 HydrophobicContact CD2-CD1 3.78Å; Y93-L130 HydrophobicContact CE2-CD1 4.08Å; Y93-L130 HydrophobicContact CE2-CD2 3.9Å; Y93-L130 HydrophobicContact CE2-CG 3.87Å; Y93-L130 VanDerWaalsContact OH-CD2 3.26Å; Y93-L130 WeakPolarHBondContact OH-CD2 3.35Å; Y93-L130 WeakPolarHBondContact OH-CG 3.32Å; A126-L130 HydrophobicContact CB-CD1 4.17Å; A126-L130 WeakPolarHBondContact O-CB 3.43Å; A126-L130 WeakPolarHBondContact O-CG 3.26Å; A126-L130 PolarHBondContact O-N 3.04Å; L130-T132 PolarHBondContact O-N 2.94Å; L130-T132 VanDerWaalsContact O-N 3.11Å; L130-R133 WeakPolarHBondContact O-CB 3.15Å; L130-R133 PolarHBondContact O-N 2.89Å; L130-I140 HydrophobicContact CB-CG2 4.24Å; L130-I140 HydrophobicContact CD2-CD1 4.09Å; L130-A142 HydrophobicContact CB-CB 3.97Å
131N98.4Very high97.4Very high74 Ų7467.4 Ų67.440%0.39635%0.353SS..THydrogen-bonded Turntrans-65.8-10175.2-80.2-57.5000114.1V127 D129 I140 A142V127-N131 PolarHBondContact O-N 3.08Å; V127-N131 PolarHBondContact O-ND2 2.98Å; D129-N131 VanDerWaalsContact C-N 3.27Å; D129-N131 PolarHBondContact O-N 3.49Å; N131-I140 PolarHBondContact OD1-O 3.09Å; N131-A142 PolarHBondContact ND2-O 3.46Å; N131-A142 PolarHBondContact OD1-N 3.44Å; N131-A142 PolarHBondContact OD1-O 2.87Å
132T98.1Very high97.4Very high100 Ų10061.6 Ų61.661%0.61333%0.328SS*.THydrogen-bonded Turntrans-96.70.2172.873.30000112.9D129 L130D129-T132 WeakPolarHBondContact O-CB 3.32Å; D129-T132 PolarHBondContact O-N 3.2Å; D129-T132 PolarHBondContact O-OG1 3.44Å; L130-T132 PolarHBondContact O-N 2.94Å; L130-T132 VanDerWaalsContact O-N 3.11Å
133R98Very high97.4Very high61 Ų6162 Ų6223%0.2333%0.329CS..  trans-114.4165-168.6-63.2-175.861.4-177.6-3.9112.1E88 Y93 D129 L130 I140E88-R133 IonicContact OE1-CZ 3.84Å; E88-R133 IonicContact OE1-NH1 2.89Å; E88-R133 PolarHBondContact OE1-NH1 2.53Å; E88-R133 IonicContact OE1-NH2 2.94Å; E88-R133 PolarHBondContact OE1-NH2 2.86Å; Y93-R133 PolarHBondContact OH-NH1 3.34Å; D129-R133 WeakPolarHBondContact O-CG 3.2Å; L130-R133 WeakPolarHBondContact O-CB 3.15Å; L130-R133 PolarHBondContact O-N 2.89Å; R133-I140 HydrophobicContact CB-CD1 4.12Å; R133-I140 PolarHBondContact O-N 3.5Å
134W97Very high97.3Very high174 Ų17463 Ų6366%0.65933%0.334SS*.EExtended strand (participates in β ladder)trans-125.6147.3-177.8-66.662.1000109.4G137 M138W134-G137 VanDerWaalsContact CZ3-O 3.32Å; W134-G137 WeakPolarHBondContact CZ3-O 3.34Å; W134-M138 CarbonylContact C-O 3.49Å; W134-M138 WeakPolarHBondContact CA-O 3.46Å
135F95.9Very high97.3Very high42 Ų4260.3 Ų60.318%0.18432%0.32CS..EExtended strand (participates in β ladder)trans-138129.2175-174.8-95.9000109L51 F81 E84 I85 G137 M138 I140L51-F135 HydrophobicContact CD1-CB 3.85Å; L51-F135 HydrophobicContact CD1-CD1 3.92Å; L51-F135 HydrophobicContact CD1-CG 4.09Å; L51-F135 HydrophobicContact CG-CD1 4.39Å; F81-F135 AromaticContact CD2-CE1 3.66Å; F81-F135 HydrophobicContact CD2-CE1 3.66Å; F81-F135 AromaticContact CD2-CZ 3.71Å; F81-F135 HydrophobicContact CD2-CZ 3.71Å; F81-F135 HydrophobicContact CE2-CD1 4.38Å; F81-F135 AromaticContact CE2-CE1 3.58Å; F81-F135 HydrophobicContact CE2-CE1 3.58Å; F81-F135 AromaticContact CE2-CZ 3.91Å; F81-F135 HydrophobicContact CE2-CZ 3.91Å; E84-F135 HydrophobicContact CG-CE2 4.24Å; E84-F135 WeakPolarHBondContact OE1-CE2 3.3Å; I85-F135 HydrophobicContact CD1-CD2 3.75Å; I85-F135 HydrophobicContact CD1-CE1 4.48Å; I85-F135 HydrophobicContact CD1-CE2 3.53Å; I85-F135 HydrophobicContact CD1-CG 4.32Å; I85-F135 HydrophobicContact CD1-CZ 3.93Å; I85-F135 HydrophobicContact CG1-CE2 4.46Å; I85-F135 HydrophobicContact CG1-CZ 4.5Å; F135-G137 PolarHBondContact O-N 3.37Å; F135-G137 VanDerWaalsContact O-N 3.11Å; F135-M138 PolarHBondContact N-O 2.98Å; F135-M138 PolarHBondContact O-N 3.4Å; F135-I140 HydrophobicContact CB-CD1 4.01Å; F135-I140 HydrophobicContact CB-CG1 3.94Å
136G91Very high97.3Very high74 Ų7455.9 Ų55.976%0.76330%0.302SS*.THydrogen-bonded Turntrans57.227.6-178.900000114.7M138G136-M138 VanDerWaalsContact C-N 3.33Å
137G93.1Very high97.2Very high62 Ų6256 Ų5664%0.63930%0.303SS*.THydrogen-bonded Turntrans79.48.6-176.500000115.2W134 F135W134-G137 VanDerWaalsContact CZ3-O 3.32Å; W134-G137 WeakPolarHBondContact CZ3-O 3.34Å; F135-G137 PolarHBondContact O-N 3.37Å; F135-G137 VanDerWaalsContact O-N 3.11Å
138M93.9Very high96.9Very high85 Ų8559.9 Ų59.942%0.41933%0.326SS..EExtended strand (participates in β ladder)trans-117.1147.7175.6-66.7177.4-67.200111.3Q53 W134 F135 G136Q53-M138 HydrophobicContact CG-CE 3.74Å; W134-M138 CarbonylContact C-O 3.49Å; W134-M138 WeakPolarHBondContact CA-O 3.46Å; F135-M138 PolarHBondContact N-O 2.98Å; F135-M138 PolarHBondContact O-N 3.4Å; G136-M138 VanDerWaalsContact C-N 3.33Å
139P97.4Very high96.7Very high49 Ų4956 Ų5632%0.31831%0.312SS..EExtended strand (participates in β ladder)trans-65145.4171.929.1-35000110.7Y141P139-Y141 HydrophobicContact CG-CE2 3.98Å
140I98.4Very high96.6Very high10 Ų1053.2 Ų53.25%0.05130%0.297CS..  trans-87.9130.8174.1-56.2175.3000108.9L48 L51 L130 N131 R133 F135L48-I140 HydrophobicContact CD2-CG2 4.15Å; L51-I140 HydrophobicContact CD1-CG1 4.03Å; L51-I140 HydrophobicContact CD1-CG2 4.45Å; L130-I140 HydrophobicContact CB-CG2 4.24Å; L130-I140 HydrophobicContact CD2-CD1 4.09Å; N131-I140 PolarHBondContact OD1-O 3.09Å; R133-I140 HydrophobicContact CB-CD1 4.12Å; R133-I140 PolarHBondContact O-N 3.5Å; F135-I140 HydrophobicContact CB-CD1 4.01Å; F135-I140 HydrophobicContact CB-CG1 3.94Å
141Y98.1Very high96.4Very high141 Ų14162.2 Ų62.255%0.55333%0.331SS*.  trans-104.8101.4173-62.9-73.9000109.8L48 Q49 P139L48-Y141 CarbonylContact C-O 3.57Å; L48-Y141 WeakPolarHBondContact CA-O 3.44Å; Q49-Y141 PolarHBondContact N-O 2.91Å; P139-Y141 HydrophobicContact CG-CE2 3.98Å
142A98.6Very high96Very high9 Ų964.6 Ų64.67%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-108.9138.4-178.100000111.4L47 L48 L130 N131L47-A142 CarbonylContact O-C 3.58Å; L47-A142 WeakPolarHBondContact O-CA 3.37Å; L48-A142 HydrophobicContact CD2-CB 3.46Å; L48-A142 VanDerWaalsContact CD2-CB 3.46Å; L130-A142 HydrophobicContact CB-CB 3.97Å; N131-A142 PolarHBondContact ND2-O 3.46Å; N131-A142 PolarHBondContact OD1-N 3.44Å; N131-A142 PolarHBondContact OD1-O 2.87Å
143E98.3Very high95.9Very high36 Ų3659.9 Ų59.917%0.16831%0.31CS..EExtended strand (participates in β ladder)trans-143.4157.5171.466.6-177.1160.100112R39 I46 L47 Q49R39-E143 IonicContact NE-OE2 2.75Å; I46-E143 CarbonylContact C-O 3.5Å; I46-E143 VanDerWaalsContact CA-O 3.26Å; I46-E143 WeakPolarHBondContact CA-O 3.47Å; L47-E143 HydrophobicContact CB-CG 4.13Å; L47-E143 PolarHBondContact N-O 3.09Å; L47-E143 PolarHBondContact O-N 3.07Å; Q49-E143 PolarHBondContact NE2-OE1 2.63Å
144L98.7Very high95.9Very high22 Ų2257.5 Ų57.512%0.11530%0.303CS..EExtended strand (participates in β ladder)trans-67.5133168.4-65.9175.7000109P40 I46 A123 V127P40-L144 HydrophobicContact CG-CB 3.82Å; I46-L144 HydrophobicContact CG2-CD2 4.21Å; A123-L144 HydrophobicContact CB-CD2 4.22Å; V127-L144 HydrophobicContact CG2-CD2 3.99Å; V127-L144 HydrophobicContact CG2-CG 4.26Å
145S98.3Very high95.9Very high1 Ų149.4 Ų49.41%0.00727%0.273CS..  trans-104.1137.1-177.4-169.70000110.8S43 T45 V147S43-S145 WeakPolarHBondContact CB-O 3.4Å; S43-S145 PolarHBondContact OG-O 2.75Å; T45-S145 PolarHBondContact O-N 3.38Å; S145-V147 PolarHBondContact O-N 3.26Å; S145-V147 WeakPolarHBondContact OG-CG2 3.45Å
146P97.2Very high95.9Very high16 Ų1656.2 Ų56.210%0.10430%0.297CS..  trans-72.3-6.6174.931.7-37.2000113.3Y21 T148Y21-P146 HydrophobicContact CD1-CG 4.28Å; Y21-P146 HydrophobicContact CE1-CG 3.96Å; Y21-P146 WeakPolarHBondContact O-CG 3.46Å; P146-T148 PolarHBondContact O-N 2.63Å
147V97.3Very high96.1Very high3 Ų356.8 Ų56.82%0.01828%0.28CS..  trans-70.1115-175.9-175.50000110.6K23 I24 T45 Y114 S145 F150 A153 M172K23-V147 WeakPolarHBondContact O-CG2 3.44Å; I24-V147 WeakPolarHBondContact O-CG2 3.35Å; T45-V147 WeakPolarHBondContact CB-O 3.48Å; T45-V147 HydrophobicContact CG2-CB 4.49Å; T45-V147 PolarHBondContact OG1-O 3.27Å; Y114-V147 HydrophobicContact CD1-CG2 4.47Å; Y114-V147 HydrophobicContact CE1-CG2 4.1Å; S145-V147 PolarHBondContact O-N 3.26Å; S145-V147 WeakPolarHBondContact OG-CG2 3.45Å; V147-F150 HydrophobicContact CG1-CD1 3.82Å; V147-F150 HydrophobicContact CG1-CE1 3.84Å; V147-A153 HydrophobicContact CG1-CB 4.3Å; V147-M172 HydrophobicContact CG1-CE 4.3Å; V147-M172 HydrophobicContact CG2-CE 4.15Å
148T92.9Very high96.3Very high101 Ų10157 Ų5762%0.6226%0.262SS*.  trans-104.5-29.7179.550.70000113.5K116 P146K116-T148 PolarHBondContact NZ-O 3.15Å; P146-T148 PolarHBondContact O-N 2.63Å
149D93.3Very high96.2Very high48 Ų4859.1 Ų59.126%0.25727%0.271SS..  trans-130.7108.9177.6-170.3-14.6000111R151 E152D149-R151 PolarHBondContact O-N 2.87Å; D149-R151 VanDerWaalsContact OD1-CB 3.24Å; D149-R151 WeakPolarHBondContact OD1-CB 3.31Å; D149-R151 WeakPolarHBondContact OD1-CG 3.49Å; D149-R151 IonicContact OD1-CZ 3.39Å; D149-R151 PolarHBondContact OD1-N 2.86Å; D149-R151 IonicContact OD1-NE 3.22Å; D149-R151 PolarHBondContact OD1-NE 2.9Å; D149-R151 IonicContact OD1-NH2 2.72Å; D149-R151 IonicContact OD2-CZ 3.82Å; D149-R151 IonicContact OD2-NE 3.94Å; D149-R151 PolarHBondContact OD2-NE 3.22Å; D149-R151 IonicContact OD2-NH2 3.95Å; D149-R151 PolarHBondContact OD2-NH2 2.68Å; D149-E152 PolarHBondContact O-N 3.39Å
150F96.2Very high96.1Very high5 Ų564.2 Ų64.22%0.02229%0.292CS..Hα-helixtrans-64.5-24.8178.7-70-64.3000113.3T45 E98 N100 Y114 K116 V147 E152 A153 C154 M172T45-F150 HydrophobicContact CG2-CE1 4.36Å; T45-F150 HydrophobicContact CG2-CZ 3.76Å; E98-F150 HydrophobicContact CB-CD2 4.39Å; E98-F150 HydrophobicContact CB-CE2 4.23Å; E98-F150 HydrophobicContact CG-CD2 4.14Å; E98-F150 HydrophobicContact CG-CE2 4.31Å; N100-F150 WeakPolarHBondContact ND2-CD2 3.26Å; N100-F150 VanDerWaalsContact ND2-CG 3.33Å; N100-F150 WeakPolarHBondContact ND2-CG 3.47Å; Y114-F150 VanDerWaalsContact CB-CE1 3.41Å; Y114-F150 AromaticContact CD1-CE1 3.97Å; Y114-F150 HydrophobicContact CD1-CE1 3.97Å; Y114-F150 AromaticContact CG-CE1 3.82Å; Y114-F150 HydrophobicContact CG-CE1 3.82Å; Y114-F150 HydrophobicContact CG-CZ 4.43Å; K116-F150 HydrophobicContact CB-CE2 3.83Å; K116-F150 HydrophobicContact CB-CZ 4.35Å; K116-F150 HydrophobicContact CD-CE2 4.43Å; V147-F150 HydrophobicContact CG1-CD1 3.82Å; V147-F150 HydrophobicContact CG1-CE1 3.84Å; F150-E152 VanDerWaalsContact C-N 3.25Å; F150-E152 PolarHBondContact O-N 3.11Å; F150-A153 CarbonylContact O-C 3.57Å; F150-A153 WeakPolarHBondContact O-CA 3.26Å; F150-A153 WeakPolarHBondContact O-CB 3.41Å; F150-A153 PolarHBondContact O-N 2.97Å; F150-C154 PolarHBondContact O-N 2.86Å; F150-C154 PolarHBondContact O-SG 2.85Å; F150-M172 HydrophobicContact CD1-CE 4.18Å; F150-M172 HydrophobicContact CD1-SD 3.88Å; F150-M172 HydrophobicContact CE1-CE 4.26Å; F150-M172 HydrophobicContact CE1-SD 4.35Å
151R93.6Very high95.8Very high194 Ų19467.2 Ų67.273%0.73233%0.325SS*.Hα-helixtrans-65.6-31.5-178.3-58.5174.7-62.21704.2112.2D149D149-R151 PolarHBondContact O-N 2.87Å; D149-R151 VanDerWaalsContact OD1-CB 3.24Å; D149-R151 WeakPolarHBondContact OD1-CB 3.31Å; D149-R151 WeakPolarHBondContact OD1-CG 3.49Å; D149-R151 IonicContact OD1-CZ 3.39Å; D149-R151 PolarHBondContact OD1-N 2.86Å; D149-R151 IonicContact OD1-NE 3.22Å; D149-R151 PolarHBondContact OD1-NE 2.9Å; D149-R151 IonicContact OD1-NH2 2.72Å; D149-R151 IonicContact OD2-CZ 3.82Å; D149-R151 IonicContact OD2-NE 3.94Å; D149-R151 PolarHBondContact OD2-NE 3.22Å; D149-R151 IonicContact OD2-NH2 3.95Å; D149-R151 PolarHBondContact OD2-NH2 2.68Å
152E91.6Very high95.6Very high124 Ų12466.4 Ų66.458%0.57933%0.331SS*.Hα-helixtrans-80.5-21.7174.6-62.1-160.7171.100112.7D149 F150D149-E152 PolarHBondContact O-N 3.39Å; F150-E152 VanDerWaalsContact C-N 3.25Å; F150-E152 PolarHBondContact O-N 3.11Å
153A96Very high95.6Very high0 Ų067.2 Ų67.20%034%0.336CS..Hα-helixtrans-84.3-26.5177.900000113.1K23 I24 V147 F150 F171 M172K23-A153 WeakPolarHBondContact O-CB 3.36Å; I24-A153 HydrophobicContact CD1-CB 3.72Å; I24-A153 WeakPolarHBondContact CD1-O 3.23Å; V147-A153 HydrophobicContact CG1-CB 4.3Å; F150-A153 CarbonylContact O-C 3.57Å; F150-A153 WeakPolarHBondContact O-CA 3.26Å; F150-A153 WeakPolarHBondContact O-CB 3.41Å; F150-A153 PolarHBondContact O-N 2.97Å; A153-F171 CarbonylContact O-C 3.59Å; A153-F171 WeakPolarHBondContact O-CA 3.45Å; A153-F171 WeakPolarHBondContact O-CB 3.35Å; A153-M172 HydrophobicContact CB-CE 3.76Å; A153-M172 HydrophobicContact CB-CG 4.13Å; A153-M172 HydrophobicContact CB-SD 3.73Å; A153-M172 PolarHBondContact O-N 3.41Å
154C96.8Very high95.3Very high11 Ų1169.3 Ų69.37%0.07437%0.367CS..BIsolated β-bridgetrans-70.8141.4-177.6-70.70000113.1F150 R156 L174F150-C154 PolarHBondContact O-N 2.86Å; F150-C154 PolarHBondContact O-SG 2.85Å; C154-R156 PolarHBondContact O-N 2.99Å; C154-L174 WeakPolarHBondContact SG-CD1 3.47Å
155C97.2Very high95.2Very high4 Ų472.6 Ų72.63%0.02738%0.38CS..  trans-80.3103.3176.1-173.40000110.5Q157 Y158 E159 F171 M172 H173C155-Q157 PolarHBondContact O-N 3.02Å; C155-Y158 WeakPolarHBondContact O-CB 3.41Å; C155-Y158 PolarHBondContact O-N 2.95Å; C155-E159 PolarHBondContact O-N 3.15Å; C155-F171 HydrophobicContact CB-CB 3.53Å; C155-M172 PolarHBondContact N-O 3.42Å; C155-H173 VanDerWaalsContact CB-CD2 3.46Å; C155-H173 WeakPolarHBondContact CB-CD2 3.26Å
156R95.5Very high94.8Very high185 Ų18574 Ų7470%0.69840%0.395SS*.Hα-helixtrans-54.6-35.9176.8-67.2-175.3175.8178.2-1.3113.9C154 Y158 E159 M160C154-R156 PolarHBondContact O-N 2.99Å; R156-Y158 VanDerWaalsContact C-N 3.34Å; R156-E159 PolarHBondContact O-N 3.26Å; R156-M160 VanDerWaalsContact O-CG 3.3Å; R156-M160 WeakPolarHBondContact O-CG 3.45Å; R156-M160 PolarHBondContact O-N 2.74Å; R156-M160 VanDerWaalsContact O-N 3.14Å
157Q96.5Very high94.6Very high86 Ų8674.7 Ų74.740%0.40241%0.405SS..Hα-helixtrans-67.1-37.1177.3-66.5179.8-57.900111.5C155 M160 G161 D162 C163C155-Q157 PolarHBondContact O-N 3.02Å; Q157-M160 CarbonylContact O-C 3.58Å; Q157-M160 PolarHBondContact O-N 2.91Å; Q157-G161 PolarHBondContact O-N 3.5Å; Q157-G161 VanDerWaalsContact O-N 3.15Å; Q157-D162 CarbonylContact O-C 3.53Å; Q157-D162 PolarHBondContact O-N 2.88Å; Q157-C163 HydrophobicContact CB-CB 4.02Å; Q157-C163 PolarHBondContact O-N 2.89Å
158Y96.2Very high94.5Very high67 Ų6782.5 Ų82.526%0.26344%0.439SS..Hα-helixtrans-71.4-39.8177-179.3-94.1000111.3D103 C155 R156 M160 G161 C163 H173D103-Y158 PolarHBondContact OD2-OH 3.14Å; C155-Y158 WeakPolarHBondContact O-CB 3.41Å; C155-Y158 PolarHBondContact O-N 2.95Å; R156-Y158 VanDerWaalsContact C-N 3.34Å; Y158-M160 PolarHBondContact O-N 2.92Å; Y158-G161 PolarHBondContact O-N 3.07Å; Y158-C163 HydrophobicContact CD2-CB 4.47Å; Y158-H173 VanDerWaalsContact CB-CD2 3.45Å; Y158-H173 WeakPolarHBondContact CB-CD2 3.42Å; Y158-H173 HydrophobicContact CD1-CB 3.75Å; Y158-H173 AromaticContact CD1-CG 3.98Å; Y158-H173 HydrophobicContact CD2-CB 3.77Å; Y158-H173 AromaticContact CD2-CD2 3.83Å; Y158-H173 AromaticContact CD2-CE1 3.61Å; Y158-H173 AromaticContact CD2-CG 3.34Å; Y158-H173 AromaticContact CD2-ND1 3.2Å; Y158-H173 WeakPolarHBondContact CD2-ND1 3.44Å; Y158-H173 AromaticContact CD2-NE2 3.99Å; Y158-H173 HydrophobicContact CE1-CB 3.77Å; Y158-H173 HydrophobicContact CE2-CB 3.77Å; Y158-H173 AromaticContact CE2-CG 3.77Å; Y158-H173 AromaticContact CE2-ND1 3.58Å; Y158-H173 HydrophobicContact CG-CB 3.75Å; Y158-H173 AromaticContact CG-CD2 3.59Å; Y158-H173 AromaticContact CG-CG 3.44Å; Y158-H173 VanDerWaalsContact CG-CG 3.44Å; Y158-H173 AromaticContact CG-ND1 3.8Å
159E93.3Very high94.7Very high130 Ų13077.7 Ų77.761%0.60741%0.409SS*.Hα-helixtrans-57.6-31.5172.1-69.3-179.3162.500112.4C155 R156C155-E159 PolarHBondContact O-N 3.15Å; R156-E159 PolarHBondContact O-N 3.26Å
160M94Very high94.8Very high156 Ų15675.9 Ų75.977%0.76840%0.4SS*.THydrogen-bonded Turntrans-85.9-4.6174.8-65.6175.5-174.200113.8R156 Q157 Y158R156-M160 VanDerWaalsContact O-CG 3.3Å; R156-M160 WeakPolarHBondContact O-CG 3.45Å; R156-M160 PolarHBondContact O-N 2.74Å; R156-M160 VanDerWaalsContact O-N 3.14Å; Q157-M160 CarbonylContact O-C 3.58Å; Q157-M160 PolarHBondContact O-N 2.91Å; Y158-M160 PolarHBondContact O-N 2.92Å
161G92.7Very high94.9Very high72 Ų7278.3 Ų78.374%0.74241%0.41SS*.THydrogen-bonded Turntrans79.417.2-178.800000115.5Q157 Y158Q157-G161 PolarHBondContact O-N 3.5Å; Q157-G161 VanDerWaalsContact O-N 3.15Å; Y158-G161 PolarHBondContact O-N 3.07Å
162D94.4Very high95.1Very high124 Ų12469.1 Ų69.166%0.66338%0.376SS*.  trans-129.328.4-170-167.235.1000113.4Q157 G164Q157-D162 CarbonylContact O-C 3.53Å; Q157-D162 PolarHBondContact O-N 2.88Å; D162-G164 PolarHBondContact O-N 2.86Å
163C96.8Very high95.4Very high27 Ų2763.8 Ų63.818%0.18235%0.351CS..  trans-82.596.8176.7-170.50000112.1Q157 Y158 K165 H173Q157-C163 HydrophobicContact CB-CB 4.02Å; Q157-C163 PolarHBondContact O-N 2.89Å; Y158-C163 HydrophobicContact CD2-CB 4.47Å; C163-K165 VanDerWaalsContact C-N 3.27Å; C163-K165 PolarHBondContact O-N 3.11Å; C163-H173 VanDerWaalsContact SG-CE1 3.51Å; C163-H173 PolarHBondContact SG-NE2 2.96Å
164G93.8Very high95.4Very high80 Ų8065.6 Ų65.683%0.82536%0.36SS*.THydrogen-bonded Turntrans-79.69.9175.700000116.3D162D162-G164 PolarHBondContact O-N 2.86Å
165K94.9Very high95.4Very high91 Ų9166 Ų6640%0.39636%0.361SS..THydrogen-bonded Turntrans-81.7-13.9-173.1-66.8178.1-174.7170.60114.3C163 G167 F168 C169C163-K165 VanDerWaalsContact C-N 3.27Å; C163-K165 PolarHBondContact O-N 3.11Å; K165-G167 PolarHBondContact O-N 3.3Å; K165-F168 WeakPolarHBondContact O-CB 3.42Å; K165-F168 PolarHBondContact O-N 3.2Å; K165-C169 HydrophobicContact CB-CB 3.81Å; K165-C169 HydrophobicContact CD-CB 4.31Å
166G91.8Very high95.3Very high31 Ų3169.9 Ų69.932%0.3239%0.386SS..G310 helixtrans49.9-132.9-177.100000112.6F168 C169G166-F168 PolarHBondContact O-N 3.14Å; G166-F168 VanDerWaalsContact O-N 3.11Å; G166-C169 PolarHBondContact O-N 3.11Å
167G92.3Very high95.4Very high30 Ų3062.3 Ų62.331%0.30936%0.359SS..G310 helixtrans-65.2-7.717800000115.9G106 K165G106-G167 WeakPolarHBondContact CA-O 3.31Å; K165-G167 PolarHBondContact O-N 3.3Å
168F95Very high95.4Very high166 Ų16659.6 Ų59.673%0.72835%0.35SS*.G310 helixtrans-93.7-3.7-179.8-60.2-76.8000114.1R28 K165 G166 N170R28-F168 PolarHBondContact NH1-O 3.39Å; K165-F168 WeakPolarHBondContact O-CB 3.42Å; K165-F168 PolarHBondContact O-N 3.2Å; G166-F168 PolarHBondContact O-N 3.14Å; G166-F168 VanDerWaalsContact O-N 3.11Å; F168-N170 PolarHBondContact O-N 2.99Å
169C96.9Very high95.3Very high0 Ų066.9 Ų66.90%038%0.377CS..  trans-70.1126.3175.3-163.50000110.8K165 G166 H173K165-C169 HydrophobicContact CB-CB 3.81Å; K165-C169 HydrophobicContact CD-CB 4.31Å; G166-C169 PolarHBondContact O-N 3.11Å; C169-H173 PolarHBondContact SG-NE2 3.33Å
170N95.9Very high95.5Very high11 Ų1166.5 Ų66.56%0.05938%0.375CS..  trans-98.92.2174.4-53.3-50.4000113.3F20 I24 R28 H108 F168F20-N170 HydrophobicContact CD1-CB 3.47Å; F20-N170 VanDerWaalsContact CD1-CB 3.47Å; F20-N170 HydrophobicContact CE1-CB 3.59Å; F20-N170 WeakPolarHBondContact CE1-ND2 3.31Å; F20-N170 WeakPolarHBondContact CE2-ND2 3.46Å; F20-N170 HydrophobicContact CG-CB 4.12Å; F20-N170 HydrophobicContact CZ-CB 4.31Å; F20-N170 WeakPolarHBondContact CZ-ND2 3.48Å; I24-N170 VanDerWaalsContact CG1-O 3.31Å; I24-N170 WeakPolarHBondContact CG1-O 3.33Å; R28-N170 PolarHBondContact NH1-ND2 2.83Å; R28-N170 PolarHBondContact NH1-OD1 3.31Å; R28-N170 PolarHBondContact NH2-ND2 2.89Å; H108-N170 PolarHBondContact NE2-OD1 3.18Å; F168-N170 PolarHBondContact O-N 2.99Å
171F97.4Very high95.6Very high55 Ų5559.1 Ų59.124%0.24134%0.338CS..SBendtrans-100.5148.9177.4-68.8-84000109F20 I24 N104 A153 C155 H173F20-F171 HydrophobicContact CE1-CE2 4.38Å; F20-F171 HydrophobicContact CE1-CZ 4.47Å; I24-F171 HydrophobicContact CD1-CD1 4.12Å; N104-F171 PolarHBondContact ND2-O 3.11Å; A153-F171 CarbonylContact O-C 3.59Å; A153-F171 WeakPolarHBondContact O-CA 3.45Å; A153-F171 WeakPolarHBondContact O-CB 3.35Å; C155-F171 HydrophobicContact CB-CB 3.53Å; F171-H173 PolarHBondContact O-CD2 3.13Å; F171-H173 PolarHBondContact O-N 2.97Å
172M97.9Very high95.7Very high2 Ų263.3 Ų63.31%0.0133%0.332CS..BIsolated β-bridgetrans-63.7121.9-176.1-61-178.9-179.300110.5I24 M109 Y114 V147 F150 A153 C155 L174I24-M172 HydrophobicContact CG2-CE 4.11Å; I24-M172 HydrophobicContact CG2-CG 4.28Å; M109-M172 HydrophobicContact CE-CG 3.8Å; Y114-M172 HydrophobicContact CD1-CE 3.72Å; Y114-M172 HydrophobicContact CD2-CE 3.86Å; Y114-M172 HydrophobicContact CD2-SD 4.21Å; Y114-M172 HydrophobicContact CE1-CE 3.35Å; Y114-M172 HydrophobicContact CE2-CE 3.54Å; Y114-M172 HydrophobicContact CE2-SD 4.17Å; Y114-M172 HydrophobicContact CG-CE 3.96Å; V147-M172 HydrophobicContact CG1-CE 4.3Å; V147-M172 HydrophobicContact CG2-CE 4.15Å; F150-M172 HydrophobicContact CD1-CE 4.18Å; F150-M172 HydrophobicContact CD1-SD 3.88Å; F150-M172 HydrophobicContact CE1-CE 4.26Å; F150-M172 HydrophobicContact CE1-SD 4.35Å; A153-M172 HydrophobicContact CB-CE 3.76Å; A153-M172 HydrophobicContact CB-CG 4.13Å; A153-M172 HydrophobicContact CB-SD 3.73Å; A153-M172 PolarHBondContact O-N 3.41Å; C155-M172 PolarHBondContact N-O 3.42Å; M172-L174 HydrophobicContact CB-CD2 3.83Å; M172-L174 HydrophobicContact CB-CG 4.39Å; M172-L174 HydrophobicContact SD-CD2 4.42Å
173H97.4Very high95.7Very high12 Ų1265.8 Ų65.86%0.05633%0.332CS..  trans-92.7108.5163.9-70.5-170.6000106C102 D103 N104 C155 Y158 C163 C169 F171C102-H173 CarbonylContact C-O 3.55Å; C102-H173 VanDerWaalsContact CA-O 3.31Å; C102-H173 WeakPolarHBondContact CA-O 3.49Å; D103-H173 HydrophobicContact CB-CB 4.46Å; D103-H173 PolarHBondContact N-O 3.45Å; N104-H173 PolarHBondContact OD1-N 3.42Å; C155-H173 VanDerWaalsContact CB-CD2 3.46Å; C155-H173 WeakPolarHBondContact CB-CD2 3.26Å; Y158-H173 VanDerWaalsContact CB-CD2 3.45Å; Y158-H173 WeakPolarHBondContact CB-CD2 3.42Å; Y158-H173 HydrophobicContact CD1-CB 3.75Å; Y158-H173 AromaticContact CD1-CG 3.98Å; Y158-H173 HydrophobicContact CD2-CB 3.77Å; Y158-H173 AromaticContact CD2-CD2 3.83Å; Y158-H173 AromaticContact CD2-CE1 3.61Å; Y158-H173 AromaticContact CD2-CG 3.34Å; Y158-H173 AromaticContact CD2-ND1 3.2Å; Y158-H173 WeakPolarHBondContact CD2-ND1 3.44Å; Y158-H173 AromaticContact CD2-NE2 3.99Å; Y158-H173 HydrophobicContact CE1-CB 3.77Å; Y158-H173 HydrophobicContact CE2-CB 3.77Å; Y158-H173 AromaticContact CE2-CG 3.77Å; Y158-H173 AromaticContact CE2-ND1 3.58Å; Y158-H173 HydrophobicContact CG-CB 3.75Å; Y158-H173 AromaticContact CG-CD2 3.59Å; Y158-H173 AromaticContact CG-CG 3.44Å; Y158-H173 VanDerWaalsContact CG-CG 3.44Å; Y158-H173 AromaticContact CG-ND1 3.8Å; C163-H173 VanDerWaalsContact SG-CE1 3.51Å; C163-H173 PolarHBondContact SG-NE2 2.96Å; C169-H173 PolarHBondContact SG-NE2 3.33Å; F171-H173 PolarHBondContact O-CD2 3.13Å; F171-H173 PolarHBondContact O-N 2.97Å
174L97.2Very high95.6Very high37 Ų3768.4 Ų68.419%0.19434%0.338CS..BIsolated β-bridgetrans-90.2124.8-174.1-62.7-172.2000111.2N100 V101 C154 M172 P176N100-L174 HydrophobicContact CB-CD1 4.29Å; N100-L174 HydrophobicContact CB-CD2 3.79Å; N100-L174 WeakPolarHBondContact OD1-CD1 3.43Å; V101-L174 WeakPolarHBondContact O-CA 3.22Å; C154-L174 WeakPolarHBondContact SG-CD1 3.47Å; M172-L174 HydrophobicContact CB-CD2 3.83Å; M172-L174 HydrophobicContact CB-CG 4.39Å; M172-L174 HydrophobicContact SD-CD2 4.42Å; L174-P176 WeakPolarHBondContact O-CD 3.45Å
175K95.9Very high95.7Very high19 Ų1965.4 Ų65.48%0.08330%0.303CS..PPolyproline II helixtrans-72.8119.9172.1-160.1171.6-174.5980109.3Y52 N54 E74 F78 V101 D103Y52-K175 HydrophobicContact CE1-CD 3.79Å; Y52-K175 WeakPolarHBondContact OH-CE 3.18Å; N54-K175 PolarHBondContact ND2-NZ 3.43Å; E74-K175 IonicContact OE1-NZ 3.97Å; E74-K175 PolarHBondContact OE1-NZ 3.4Å; F78-K175 HydrophobicContact CB-CD 4.28Å; F78-K175 HydrophobicContact CD1-CB 4.47Å; F78-K175 HydrophobicContact CD1-CD 3.89Å; F78-K175 HydrophobicContact CD1-CG 3.85Å; F78-K175 HydrophobicContact CD2-CD 3.57Å; F78-K175 HydrophobicContact CD2-CG 4.28Å; F78-K175 HydrophobicContact CE1-CB 3.85Å; F78-K175 HydrophobicContact CE1-CD 4.09Å; F78-K175 HydrophobicContact CE1-CG 3.72Å; F78-K175 WeakPolarHBondContact CE1-O 3.26Å; F78-K175 HydrophobicContact CE2-CB 4.02Å; F78-K175 HydrophobicContact CE2-CD 3.78Å; F78-K175 HydrophobicContact CE2-CG 4.15Å; F78-K175 HydrophobicContact CG-CD 3.62Å; F78-K175 HydrophobicContact CG-CG 4.12Å; F78-K175 HydrophobicContact CZ-CB 3.6Å; F78-K175 HydrophobicContact CZ-CD 4.04Å; F78-K175 HydrophobicContact CZ-CG 3.88Å; F78-K175 WeakPolarHBondContact CZ-O 3.45Å; V101-K175 PolarHBondContact O-N 2.94Å; D103-K175 HydrophobicContact CB-CB 4.03Å; D103-K175 IonicContact OD1-NZ 3.11Å; D103-K175 PolarHBondContact OD1-NZ 3.37Å
176P95.7Very high95.5Very high87 Ų8763.5 Ų63.557%0.56529%0.294SS*.PPolyproline II helixtrans-76.2131.8-17729.9-33.8000111.3Q75 F78 L174Q75-P176 PolarHBondContact NE2-O 2.93Å; F78-P176 WeakPolarHBondContact CE1-O 3.41Å; L174-P176 WeakPolarHBondContact O-CD 3.45Å
177I96.7Very high95.1Very high25 Ų2563.7 Ų63.713%0.12830%0.296CS..PPolyproline II helixtrans-74.9156.616656.3172.7000110.9F78 F82 L181 R182 Y186F78-I177 HydrophobicContact CD1-CG2 4.33Å; F78-I177 HydrophobicContact CE1-CB 4.44Å; F78-I177 HydrophobicContact CE1-CG2 3.58Å; F78-I177 HydrophobicContact CZ-CG2 4.11Å; F82-I177 HydrophobicContact CB-CG2 3.92Å; F82-I177 HydrophobicContact CD1-CD1 4.45Å; F82-I177 HydrophobicContact CD1-CG2 3.76Å; F82-I177 HydrophobicContact CD2-CG2 3.34Å; F82-I177 HydrophobicContact CE1-CD1 3.98Å; F82-I177 HydrophobicContact CE1-CG2 4.06Å; F82-I177 HydrophobicContact CE2-CG2 3.67Å; F82-I177 HydrophobicContact CG-CG2 3.39Å; F82-I177 HydrophobicContact CZ-CD1 4.16Å; F82-I177 HydrophobicContact CZ-CG2 4.02Å; I177-L181 HydrophobicContact CB-CD2 4.07Å; I177-L181 HydrophobicContact CD1-CG 4.45Å; I177-L181 HydrophobicContact CG2-CD2 4.01Å; I177-R182 HydrophobicContact CD1-CB 3.63Å; I177-R182 HydrophobicContact CD1-CG 4.05Å; I177-R182 HydrophobicContact CG1-CB 4.03Å; I177-Y186 HydrophobicContact CD1-CE2 4.24Å
178S96.9Very high93.8Very high29 Ų2971.6 Ų71.620%0.20332%0.317CS..PPolyproline II helixtrans-60.2152.8175.275.20000112.1D79 E180 L181 R182D79-S178 PolarHBondContact OD1-N 2.84Å; D79-S178 WeakPolarHBondContact OD2-CB 3.45Å; D79-S178 PolarHBondContact OD2-OG 2.95Å; S178-E180 PolarHBondContact O-N 3.23Å; S178-L181 PolarHBondContact O-N 3.33Å; S178-L181 WeakPolarHBondContact OG-CB 3.07Å; S178-L181 PolarHBondContact OG-N 2.63Å; S178-L181 VanDerWaalsContact OG-N 3.11Å; S178-R182 WeakPolarHBondContact O-CB 3.45Å; S178-R182 PolarHBondContact O-N 2.97Å
179R95.2Very high92.2Very high221 Ų22166.8 Ų66.883%0.83429%0.293SS*.Hα-helixtrans-59.4-30.9176-69.4-177.8169.8-155.3-2.5112.2R183R179-R183 WeakPolarHBondContact O-CB 3.31Å; R179-R183 PolarHBondContact O-N 3.47Å
180E95.8Very high89.9Confident122 Ų12277.5 Ų77.557%0.5733%0.334SS*.Hα-helixtrans-71.5-51.7178.2-166.5-168.5138.900111S178 R182 R183 R184S178-E180 PolarHBondContact O-N 3.23Å; E180-R182 VanDerWaalsContact C-N 3.32Å; E180-R182 PolarHBondContact O-N 2.69Å; E180-R183 WeakPolarHBondContact O-CB 3.32Å; E180-R183 PolarHBondContact O-N 3.29Å; E180-R183 VanDerWaalsContact O-N 3.08Å; E180-R184 PolarHBondContact O-N 2.89Å; E180-R184 IonicContact OE1-CZ 2.63Å; E180-R184 IonicContact OE1-NH2 3.08Å; E180-R184 PolarHBondContact OE1-NH2 3.01Å
181L96.6Very high87.5Confident0 Ų087.6 Ų87.60%037%0.371CS..Hα-helixtrans-58-45.9177.517960.4000110.9D79 F82 E83 I177 S178 R183 R184 L185D79-L181 HydrophobicContact CB-CD2 3.68Å; D79-L181 VanDerWaalsContact O-CD2 3.32Å; D79-L181 WeakPolarHBondContact O-CD2 3.33Å; F82-L181 HydrophobicContact CB-CD2 4.11Å; F82-L181 HydrophobicContact CD1-CD2 4.1Å; F82-L181 HydrophobicContact CG-CD2 4.4Å; E83-L181 HydrophobicContact CB-CD1 3.83Å; E83-L181 HydrophobicContact CG-CD1 4.06Å; I177-L181 HydrophobicContact CB-CD2 4.07Å; I177-L181 HydrophobicContact CD1-CG 4.45Å; I177-L181 HydrophobicContact CG2-CD2 4.01Å; S178-L181 PolarHBondContact O-N 3.33Å; S178-L181 WeakPolarHBondContact OG-CB 3.07Å; S178-L181 PolarHBondContact OG-N 2.63Å; S178-L181 VanDerWaalsContact OG-N 3.11Å; L181-R183 VanDerWaalsContact C-N 3.26Å; L181-R183 PolarHBondContact O-N 2.99Å; L181-R184 WeakPolarHBondContact O-CB 3.34Å; L181-R184 PolarHBondContact O-N 3.44Å; L181-L185 HydrophobicContact CD1-CD1 3.66Å; L181-L185 HydrophobicContact CD1-CD2 4.3Å; L181-L185 HydrophobicContact CD1-CG 3.75Å; L181-L185 HydrophobicContact CD2-CD1 4.5Å; L181-L185 HydrophobicContact CG-CD1 3.92Å; L181-L185 HydrophobicContact CG-CG 4.31Å; L181-L185 PolarHBondContact O-N 3.01Å
182R95.8Very high84.9Confident161 Ų16191.1 Ų91.161%0.60840%0.397SS*.Hα-helixtrans-55.5-41.6176-169.4172.4-174.1133.34.4112.3I177 S178 E180 Y186I177-R182 HydrophobicContact CD1-CB 3.63Å; I177-R182 HydrophobicContact CD1-CG 4.05Å; I177-R182 HydrophobicContact CG1-CB 4.03Å; S178-R182 WeakPolarHBondContact O-CB 3.45Å; S178-R182 PolarHBondContact O-N 2.97Å; E180-R182 VanDerWaalsContact C-N 3.32Å; E180-R182 PolarHBondContact O-N 2.69Å; R182-Y186 HydrophobicContact CG-CD2 4.09Å; R182-Y186 WeakPolarHBondContact O-CB 3.32Å; R182-Y186 PolarHBondContact O-N 3.21Å; R182-Y186 VanDerWaalsContact O-N 3.07Å
183R94.5Very high81.9Confident176 Ų17692.5 Ų92.566%0.66441%0.412SS*.Hα-helixtrans-68.9-36.4177.5-170.9-172.1-61.2137.60.7111.5R179 E180 L181 G187R179-R183 WeakPolarHBondContact O-CB 3.31Å; R179-R183 PolarHBondContact O-N 3.47Å; E180-R183 WeakPolarHBondContact O-CB 3.32Å; E180-R183 PolarHBondContact O-N 3.29Å; E180-R183 VanDerWaalsContact O-N 3.08Å; L181-R183 VanDerWaalsContact C-N 3.26Å; L181-R183 PolarHBondContact O-N 2.99Å; R183-G187 WeakPolarHBondContact O-CA 3.27Å; R183-G187 PolarHBondContact O-N 3.04Å
184R94.4Very high79.7Confident81 Ų8198.2 Ų98.231%0.30645%0.451SS..Hα-helixtrans-68-49.1-178.6-160.9-176.2-49117.34.6111.8E83 E180 L181 R188E83-R184 VanDerWaalsContact CD-NH1 3.26Å; E83-R184 WeakPolarHBondContact OE1-CD 3.29Å; E83-R184 IonicContact OE1-CZ 3.98Å; E83-R184 IonicContact OE1-NH1 3.96Å; E83-R184 PolarHBondContact OE1-NH1 3.24Å; E83-R184 IonicContact OE2-NH1 2.87Å; E83-R184 PolarHBondContact OE2-NH1 3.03Å; E180-R184 PolarHBondContact O-N 2.89Å; E180-R184 IonicContact OE1-CZ 2.63Å; E180-R184 IonicContact OE1-NH2 3.08Å; E180-R184 PolarHBondContact OE1-NH2 3.01Å; L181-R184 WeakPolarHBondContact O-CB 3.34Å; L181-R184 PolarHBondContact O-N 3.44Å; R184-R188 WeakPolarHBondContact O-CG 3.43Å
185L94.5Very high77Confident17 Ų17105.3 Ų105.39%0.08948%0.476CS..Hα-helixtrans-74.2-54.4-177.6-60.2-178.9000111.7F82 E83 F86 L181F82-L185 HydrophobicContact CD1-CD1 3.67Å; F82-L185 HydrophobicContact CE1-CD1 3.65Å; E83-L185 HydrophobicContact CG-CD2 4.39Å; F86-L185 HydrophobicContact CB-CD1 4.01Å; F86-L185 HydrophobicContact CD1-CB 4.26Å; F86-L185 HydrophobicContact CD1-CD1 4.02Å; F86-L185 HydrophobicContact CD1-CD2 3.83Å; F86-L185 HydrophobicContact CD1-CG 4.25Å; F86-L185 HydrophobicContact CD2-CD1 4.18Å; F86-L185 HydrophobicContact CE1-CB 4.03Å; F86-L185 HydrophobicContact CE1-CD2 4.26Å; F86-L185 HydrophobicContact CG-CD1 3.8Å; F86-L185 HydrophobicContact CG-CD2 4.41Å; F86-L185 HydrophobicContact CZ-CB 4.23Å; L181-L185 HydrophobicContact CD1-CD1 3.66Å; L181-L185 HydrophobicContact CD1-CD2 4.3Å; L181-L185 HydrophobicContact CD1-CG 3.75Å; L181-L185 HydrophobicContact CD2-CD1 4.5Å; L181-L185 HydrophobicContact CG-CD1 3.92Å; L181-L185 HydrophobicContact CG-CG 4.31Å; L181-L185 PolarHBondContact O-N 3.01Å
186Y91.9Very high74.4Confident51 Ų51109.7 Ų109.720%0.250%0.5CS..Hα-helixtrans-91.1-24.6-174-62-83.3000113.9F82 F86 M99 I177 R182 R188 R189F82-Y186 HydrophobicContact CE1-CE2 4.49Å; F86-Y186 AromaticContact CE2-CE1 3.87Å; F86-Y186 HydrophobicContact CE2-CE1 3.87Å; F86-Y186 HydrophobicContact CE2-CE2 4.23Å; F86-Y186 AromaticContact CE2-CZ 3.6Å; F86-Y186 WeakPolarHBondContact CE2-OH 3.48Å; F86-Y186 HydrophobicContact CZ-CE1 4.15Å; M99-Y186 PolarHBondContact N-OH 2.97Å; I177-Y186 HydrophobicContact CD1-CE2 4.24Å; R182-Y186 HydrophobicContact CG-CD2 4.09Å; R182-Y186 WeakPolarHBondContact O-CB 3.32Å; R182-Y186 PolarHBondContact O-N 3.21Å; R182-Y186 VanDerWaalsContact O-N 3.07Å; Y186-R188 VanDerWaalsContact C-N 3.34Å; Y186-R188 PolarHBondContact O-N 3.11Å; Y186-R189 PolarHBondContact O-N 2.95Å
187G83.2Confident71.7Confident36 Ų36116.5 Ų116.537%0.37152%0.515SS..Hα-helixtrans-73-22.8-175.500000114.2R183 R189R183-G187 WeakPolarHBondContact O-CA 3.27Å; R183-G187 PolarHBondContact O-N 3.04Å; G187-R189 PolarHBondContact O-N 3.09Å
188R64.8Low69.1Low196 Ų196125.4 Ų125.474%0.7455%0.547SS*.G310 helixtrans-62.3-26.9174.4-74.1-177.8179.5-1323112.4R184 Y186 R190 R191R184-R188 WeakPolarHBondContact O-CG 3.43Å; Y186-R188 VanDerWaalsContact C-N 3.34Å; Y186-R188 PolarHBondContact O-N 3.11Å; R188-R190 PolarHBondContact O-N 3.39Å; R188-R191 PolarHBondContact O-N 3.44Å
189R61.8Low66.2Low64 Ų64135.1 Ų135.124%0.24258%0.579CS.*G310 helixtrans-75-20.4-173.5-62.9-169.6-177.4-174.220.3115.5E90 E95 I96 Y186 G187 R191E90-R189 IonicContact OE1-CZ 3.05Å; E90-R189 IonicContact OE1-NE 2.89Å; E90-R189 IonicContact OE1-NH2 3.94Å; E90-R189 PolarHBondContact OE1-NH2 3.43Å; E95-R189 IonicContact OE1-CZ 3.38Å; E95-R189 IonicContact OE1-NE 3.7Å; E95-R189 IonicContact OE1-NH1 3.67Å; E95-R189 PolarHBondContact OE1-NH1 3.01Å; I96-R189 PolarHBondContact O-NH1 3.4Å; I96-R189 PolarHBondContact O-NH2 3.22Å; Y186-R189 PolarHBondContact O-N 2.95Å; G187-R189 PolarHBondContact O-N 3.09Å; R189-R191 PolarHBondContact O-N 3.15Å
190R49.2Very low63.7Low226 Ų226129.5 Ų129.585%0.85357%0.573SS**G310 helixtrans-73.3-3.5176.1-71.5-167.5-179.3-168.11.1114R188R188-R190 PolarHBondContact O-N 3.39Å
191R45.6Very low60.9Low223 Ų223135 Ų13584%0.84259%0.589SS**G310 helixtrans-103.1-0.5-175.3-71.5-171.3177.5178.61115.6R188 R189R188-R191 PolarHBondContact O-N 3.44Å; R189-R191 PolarHBondContact O-N 3.15Å
192T42.4Very low58.2Low128 Ų128140.4 Ų140.479%0.78563%0.627SS**  trans-103.750.7178.227.10000112.3
193G35.3Very low55.3Low32 Ų32144.8 Ų144.833%0.3364%0.644SS.*  trans-102.4122.3158.200000109.3Y195 D196G193-Y195 PolarHBondContact O-N 3.01Å; G193-D196 PolarHBondContact O-N 3.19Å; G193-D196 VanDerWaalsContact O-N 3.11Å
194P50.3Low52.5Low132 Ų132141.4 Ų141.486%0.85765%0.647SS**G310 helixtrans-55.5-17.5174.2-24.132.9000113.6
195Y41.8Very low49.7Very low185 Ų185149.6 Ų149.673%0.72568%0.678SS**G310 helixtrans-83.7-14.7-179.1-158.1-105000114.9G193 R197G193-Y195 PolarHBondContact O-N 3.01Å; Y195-R197 PolarHBondContact O-N 2.95Å
196D41.2Very low46.8Very low111 Ų111151.8 Ų151.859%0.59470%0.704SS**G310 helixtrans-89.67.8-177.4-92-40.5000115.1G193 R198G193-D196 PolarHBondContact O-N 3.19Å; G193-D196 VanDerWaalsContact O-N 3.11Å; D196-R198 PolarHBondContact O-N 3.04Å
197R38.4Very low44.1Very low230 Ų230159.8 Ų159.887%0.86873%0.734SS**G310 helixtrans-78.6-4.3167.1-73.5-173.6-173.2168.63.3113.7Y195Y195-R197 PolarHBondContact O-N 2.95Å
198R40.9Very low41.8Very low212 Ų212166 Ų16680%0.876%0.759SS**G310 helixtrans-92.70.7-177.3-69.8-162.9-178.5-154.42.6116D196D196-R198 PolarHBondContact O-N 3.04Å
199R37Very low40.5Very low233 Ų233165.7 Ų165.788%0.87976%0.763SS**SBendtrans-107.2-0.1177.8-126.5177.5-173.7-165.72116.8
200S42.8Very low39Very low103 Ų103165.1 Ų165.172%0.7278%0.777SS**SBendtrans-105.959.7174.1-54.40000111.3
201R37.2Very low38.3Very low237 Ų237158.4 Ų158.489%0.89478%0.778SS**SBendtrans-179.581.4162.7-101.9156.7-168.5-1754.7111.1
202S38.6Very low37.9Very low115 Ų115157.6 Ų157.680%0.80478%0.777SS**  trans170.464144.436.50000110.9
203R35.9Very low37.4Very low252 Ų252155.2 Ų155.295%0.95178%0.777SS**  trans-122.562.9148.7-75.8-171.8179.2175.6-0.8107.9
204S36.3Very low37.5Very low105 Ų105157.9 Ų157.973%0.73480%0.796SS**SBendtrans-140.1118.8161.2-62.40000106.7
205R34.8Very low36.7Very low254 Ų254162.2 Ų162.296%0.95880%0.796SS**  trans83.4116.9159-57.8176.7179.1175.7-1.4116.9
206G34.4Very low36.3Very low62 Ų62165.1 Ų165.164%0.63981%0.805SS**  trans125.286.6144.700000112.6
207R35Very low36Very low219 Ų219163.2 Ų163.283%0.82681%0.812SS**  -171.488.2119.3-95.7160-158.7-1475.1107.5F209R207-F209 VanDerWaalsContact C-N 3.32Å; R207-F209 HydrophobicContact CB-CD2 4.35Å; R207-F209 PolarHBondContact O-N 3.19Å
208D35.1Very low35.8Very low166 Ų166163.6 Ų163.689%0.88881%0.813SS**  trans-35.9103.5141.9-65-73.7000108.6
209F36.8Very low35.4Very low190 Ų190163.7 Ų163.783%0.83382%0.815SS**  trans-98.2115.4163.2-113.7-92000106.3R207 G211R207-F209 VanDerWaalsContact C-N 3.32Å; R207-F209 HydrophobicContact CB-CD2 4.35Å; R207-F209 PolarHBondContact O-N 3.19Å; F209-G211 PolarHBondContact O-N 3.03Å
210G31Very low35.8Very low52 Ų52166.3 Ų166.354%0.53683%0.834SS.*  trans-53.2127.7-166.700000114.1Y212G210-Y212 VanDerWaalsContact O-CE1 3.28Å; G210-Y212 WeakPolarHBondContact O-CE1 3.4Å
211G34.6Very low35.5Very low85 Ų85169.5 Ų169.588%0.87684%0.839SS**  trans-93.785.8156.900000108.9F209F209-G211 PolarHBondContact O-N 3.03Å
212Y36Very low35.4Very low206 Ų206165.9 Ų165.981%0.80884%0.836SS**  trans-83.4120.7168.832.8-91.1000109.4G210G210-Y212 VanDerWaalsContact O-CE1 3.28Å; G210-Y212 WeakPolarHBondContact O-CE1 3.4Å
213G33Very low35.2Very low78 Ų78168.8 Ų168.880%0.80484%0.838SS**  trans74.2149.4161.100000114.7
214A36.8Very low35.2Very low88 Ų88163.9 Ų163.973%0.72783%0.832SS**  cis-163.3141.95.800000107.8
215R33.8Very low35.1Very low224 Ų224167.6 Ų167.685%0.84584%0.838SS**  trans59.2116.6136.2-69.7-179.6173.9-169-1.2119.4
216R32.9Very low35.1Very low245 Ų245161.8 Ų161.893%0.92583%0.83SS**  65128.1120.5-69.5-172.8171.1-157.8-1.2118.7
217G34.7Very low35.2Very low71 Ų71168.9 Ų168.973%0.73284%0.843SS**  trans151.276.9150.800000110.3
218R33.3Very low35.2Very low238 Ų238165.1 Ų165.190%0.89885%0.845SS**  60.1110.4103.3-94.8-169-176.9-168.91.1114
219Y34.1Very low35.2Very low214 Ų214165 Ų16584%0.83984%0.841SS**  trans-10.8122.4143.6-56.3-87.6000115.3
220F45.2Very low35Very low289 Ų289162.7 Ų162.7100%1.26884%0.842SS**  -141.10114.8-80.5-77.4000107.9

Retrieved 220 of 220 residues in 83.9 ms (Link to these results)

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