A0A096NTM1_PAPAN Loading...

RFNG O-fucosylpeptide 3-beta-N-acetylglucosaminyltransferase

AlphaFold DB (A0A0D9S4T0), UniProt , Accession A0A096NTM1, Species PAPAN (Papio anubis, Olive baboon), Gene RFNG, Length 205 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
1M92.1Very high97Very high21 Ų2155.5 Ų55.510%0.10329%0.288CS..  0-63.90-160.252.755.200116.5V3 E4 Y5 F16 H18 F80 F99 D110 V114M1-V3 PolarHBondContact O-N 3.33Å; M1-E4 VanDerWaalsContact CA-OE1 3.25Å; M1-E4 WeakPolarHBondContact CA-OE1 3.48Å; M1-E4 PolarHBondContact N-OE1 3.14Å; M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 3.14Å; M1-Y5 PolarHBondContact O-N 2.91Å; M1-F16 HydrophobicContact SD-CE1 4.13Å; M1-F16 HydrophobicContact SD-CZ 3.92Å; M1-H18 HydrophobicContact CE-CB 4.15Å; M1-H18 VanDerWaalsContact CE-ND1 3.34Å; M1-H18 WeakPolarHBondContact CE-ND1 3.48Å; M1-F80 HydrophobicContact CE-CE1 4.12Å; M1-F80 HydrophobicContact CE-CZ 3.79Å; M1-F80 HydrophobicContact SD-CZ 4.17Å; M1-F99 HydrophobicContact CB-CD1 4.08Å; M1-F99 HydrophobicContact CB-CE1 3.6Å; M1-F99 HydrophobicContact CB-CZ 3.95Å; M1-F99 HydrophobicContact CG-CD1 4.14Å; M1-F99 HydrophobicContact CG-CD2 4.36Å; M1-F99 HydrophobicContact CG-CE1 3.59Å; M1-F99 HydrophobicContact CG-CE2 3.83Å; M1-F99 HydrophobicContact CG-CG 4.49Å; M1-F99 HydrophobicContact CG-CZ 3.41Å; M1-F99 VanDerWaalsContact CG-CZ 3.41Å; M1-D110 HydrophobicContact CB-CB 3.91Å; M1-D110 WeakPolarHBondContact CB-OD2 3.26Å; M1-D110 HydrophobicContact CG-CB 4.43Å; M1-D110 PolarHBondContact N-OD2 2.9Å; M1-V114 HydrophobicContact CG-CG2 4.36Å; M1-V114 HydrophobicContact SD-CG2 4.45Å
2S94.4Very high97Very high16 Ų1654.7 Ų54.711%0.11230%0.304CS..Hα-helixtrans-49.1-49.6-170.6-173.70000114.8Y5 D6S2-Y5 WeakPolarHBondContact O-CB 3.32Å; S2-Y5 PolarHBondContact O-N 2.67Å; S2-D6 PolarHBondContact O-N 3.36Å; S2-D6 VanDerWaalsContact O-N 3.1Å
3V96.8Very high97.2Very high108 Ų10864.2 Ų64.266%0.65533%0.332SS*.Hα-helixtrans-66.8-39.5179.4177.90000112.2M1 Y5 D6 K7M1-V3 PolarHBondContact O-N 3.33Å; V3-Y5 VanDerWaalsContact C-N 3.28Å; V3-Y5 PolarHBondContact O-N 2.7Å; V3-D6 PolarHBondContact O-N 3.35Å; V3-K7 HydrophobicContact CG1-CG 4.39Å; V3-K7 WeakPolarHBondContact O-CB 3.41Å; V3-K7 WeakPolarHBondContact O-CG 3.38Å; V3-K7 PolarHBondContact O-N 2.91Å
4E97.8Very high97.3Very high78 Ų7869.7 Ų69.736%0.36435%0.352SS..Hα-helixtrans-61.5-42.2178.2-61.2158-117.100110.7M1 K7 F8 F16 H18M1-E4 VanDerWaalsContact CA-OE1 3.25Å; M1-E4 WeakPolarHBondContact CA-OE1 3.48Å; M1-E4 PolarHBondContact N-OE1 3.14Å; M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 3.14Å; E4-K7 PolarHBondContact O-N 3.46Å; E4-F8 WeakPolarHBondContact O-CB 3.49Å; E4-F8 PolarHBondContact O-N 3.22Å; E4-F16 HydrophobicContact CB-CE2 4Å; E4-F16 HydrophobicContact CB-CZ 4.18Å; E4-H18 IonicContact OE2-CE1 2.88Å; E4-H18 IonicContact OE2-CG 2.67Å; E4-H18 IonicContact OE2-ND1 3.83Å; E4-H18 PolarHBondContact OE2-ND1 3.45Å
5Y98.1Very high97.4Very high3 Ų368.4 Ų68.41%0.01234%0.341CS..Hα-helixtrans-63.1-50.7178.2-176.1-84.8000111.6M1 S2 V3 K7 F8 I9 A87 M90 S91 A94M1-Y5 PolarHBondContact O-N 2.91Å; S2-Y5 WeakPolarHBondContact O-CB 3.32Å; S2-Y5 PolarHBondContact O-N 2.67Å; V3-Y5 VanDerWaalsContact C-N 3.28Å; V3-Y5 PolarHBondContact O-N 2.7Å; Y5-K7 VanDerWaalsContact C-N 3.32Å; Y5-K7 PolarHBondContact O-N 3.02Å; Y5-F8 WeakPolarHBondContact O-CB 3.23Å; Y5-F8 PolarHBondContact O-N 3.12Å; Y5-F8 VanDerWaalsContact O-N 3.1Å; Y5-I9 HydrophobicContact CD1-CG1 4.03Å; Y5-I9 HydrophobicContact CE1-CD1 4.04Å; Y5-I9 HydrophobicContact CE1-CG1 3.56Å; Y5-I9 WeakPolarHBondContact O-CG1 3.4Å; Y5-I9 PolarHBondContact O-N 2.66Å; Y5-A87 HydrophobicContact CE2-CB 4.12Å; Y5-A87 VanDerWaalsContact OH-C 3.25Å; Y5-A87 PolarHBondContact OH-O 3.32Å; Y5-M90 HydrophobicContact CE2-CB 4.36Å; Y5-M90 HydrophobicContact CE2-CE 4.17Å; Y5-M90 HydrophobicContact CE2-SD 4.46Å; Y5-M90 WeakPolarHBondContact OH-CB 3.32Å; Y5-S91 PolarHBondContact OH-N 3.23Å; Y5-A94 HydrophobicContact CD1-CB 3.94Å; Y5-A94 WeakPolarHBondContact CD1-O 3.37Å; Y5-A94 HydrophobicContact CD2-CB 4.18Å; Y5-A94 HydrophobicContact CE1-CB 3.61Å; Y5-A94 HydrophobicContact CE2-CB 3.84Å; Y5-A94 HydrophobicContact CG-CB 4.2Å
6D97.4Very high97.5Very high28 Ų2865 Ų6515%0.1532%0.324CS..Hα-helixtrans-59.8-43.2177.7-79.8-25.5000111.5S2 V3 F8 I9 E10 S95 L96S2-D6 PolarHBondContact O-N 3.36Å; S2-D6 VanDerWaalsContact O-N 3.1Å; V3-D6 PolarHBondContact O-N 3.35Å; D6-F8 VanDerWaalsContact C-N 3.3Å; D6-F8 PolarHBondContact O-N 3.49Å; D6-I9 PolarHBondContact O-N 3.17Å; D6-E10 WeakPolarHBondContact O-CG 3.35Å; D6-E10 PolarHBondContact O-N 3.44Å; D6-S95 WeakPolarHBondContact OD1-CA 3.34Å; D6-S95 WeakPolarHBondContact OD1-CB 3.44Å; D6-S95 PolarHBondContact OD1-OG 3.48Å; D6-L96 PolarHBondContact OD1-N 3.07Å; D6-L96 PolarHBondContact OD2-N 3.31Å; D6-L96 VanDerWaalsContact OD2-N 3.12Å
7K98.1Very high97.5Very high118 Ų11863.9 Ų63.951%0.51332%0.324SS..Hα-helixtrans-61.5-36.8174.9-72.3-40.7-173-164.20113.2V3 E4 Y5 E10 S11V3-K7 HydrophobicContact CG1-CG 4.39Å; V3-K7 WeakPolarHBondContact O-CB 3.41Å; V3-K7 WeakPolarHBondContact O-CG 3.38Å; V3-K7 PolarHBondContact O-N 2.91Å; E4-K7 PolarHBondContact O-N 3.46Å; Y5-K7 VanDerWaalsContact C-N 3.32Å; Y5-K7 PolarHBondContact O-N 3.02Å; K7-E10 VanDerWaalsContact CD-OE2 3.25Å; K7-E10 WeakPolarHBondContact CD-OE2 3.42Å; K7-E10 IonicContact NZ-OE1 2.72Å; K7-E10 PolarHBondContact NZ-OE1 3Å; K7-E10 IonicContact NZ-OE2 3.04Å; K7-E10 PolarHBondContact NZ-OE2 3.08Å; K7-S11 WeakPolarHBondContact O-CB 3.5Å; K7-S11 PolarHBondContact O-N 3.4Å
8F98.3Very high97.6Very high13 Ų1361.6 Ų61.66%0.05731%0.311CS..Hα-helixtrans-65.7-45.3173.8166.4-105.4000112.6E4 Y5 D6 E10 S11 R13 W15 F16 R84 A87E4-F8 WeakPolarHBondContact O-CB 3.49Å; E4-F8 PolarHBondContact O-N 3.22Å; Y5-F8 WeakPolarHBondContact O-CB 3.23Å; Y5-F8 PolarHBondContact O-N 3.12Å; Y5-F8 VanDerWaalsContact O-N 3.1Å; D6-F8 VanDerWaalsContact C-N 3.3Å; D6-F8 PolarHBondContact O-N 3.49Å; F8-E10 VanDerWaalsContact C-N 3.34Å; F8-E10 PolarHBondContact O-N 3.12Å; F8-S11 PolarHBondContact O-N 3.43Å; F8-S11 PolarHBondContact O-OG 3.01Å; F8-R13 HydrophobicContact CD2-CB 4.32Å; F8-R13 HydrophobicContact CE2-CB 4Å; F8-R13 VanDerWaalsContact CE2-O 3.26Å; F8-R13 WeakPolarHBondContact CE2-O 3.33Å; F8-R13 WeakPolarHBondContact CZ-O 3.46Å; F8-W15 VanDerWaalsContact CE2-O 3.23Å; F8-W15 WeakPolarHBondContact CE2-O 3.44Å; F8-F16 HydrophobicContact CB-CB 4.4Å; F8-F16 HydrophobicContact CB-CD2 3.56Å; F8-F16 HydrophobicContact CB-CE2 4.25Å; F8-F16 HydrophobicContact CB-CG 4.34Å; F8-F16 HydrophobicContact CD1-CB 3.66Å; F8-F16 HydrophobicContact CD1-CD2 4.27Å; F8-F16 HydrophobicContact CD1-CG 4.21Å; F8-F16 HydrophobicContact CD2-CB 3.74Å; F8-F16 HydrophobicContact CD2-CD2 4.26Å; F8-F16 HydrophobicContact CE1-CB 3.76Å; F8-F16 HydrophobicContact CE2-CB 3.86Å; F8-F16 VanDerWaalsContact CE2-N 3.34Å; F8-F16 HydrophobicContact CG-CB 3.63Å; F8-F16 AromaticContact CG-CD2 3.75Å; F8-F16 HydrophobicContact CG-CD2 3.75Å; F8-F16 HydrophobicContact CG-CG 4.07Å; F8-F16 HydrophobicContact CZ-CB 3.85Å; F8-R84 HydrophobicContact CZ-CB 4.09Å; F8-R84 HydrophobicContact CZ-CG 4.34Å; F8-A87 HydrophobicContact CD1-CB 4.21Å; F8-A87 HydrophobicContact CE1-CB 3.57Å
9I98Very high97.6Very high30 Ų3061.3 Ų61.315%0.15431%0.313CS..Hα-helixtrans-58.3-48.8178.3-64.8-59000110.4Y5 D6 S11 G12 R84 A87 L88Y5-I9 HydrophobicContact CD1-CG1 4.03Å; Y5-I9 HydrophobicContact CE1-CD1 4.04Å; Y5-I9 HydrophobicContact CE1-CG1 3.56Å; Y5-I9 WeakPolarHBondContact O-CG1 3.4Å; Y5-I9 PolarHBondContact O-N 2.66Å; D6-I9 PolarHBondContact O-N 3.17Å; I9-S11 VanDerWaalsContact C-N 3.3Å; I9-S11 PolarHBondContact O-N 3.38Å; I9-G12 PolarHBondContact O-N 3.38Å; I9-R84 PolarHBondContact O-NH1 2.91Å; I9-R84 PolarHBondContact O-NH2 2.97Å; I9-R84 VanDerWaalsContact O-NH2 3.08Å; I9-A87 HydrophobicContact CD1-CB 4Å; I9-L88 HydrophobicContact CD1-CD2 4.2Å
10E97.7Very high97.6Very high135 Ų13561.4 Ų61.463%0.63131%0.314SS*.Hα-helixtrans-57.4-39.2176.1-72.7174.4-17200112.6D6 K7 F8 G12D6-E10 WeakPolarHBondContact O-CG 3.35Å; D6-E10 PolarHBondContact O-N 3.44Å; K7-E10 VanDerWaalsContact CD-OE2 3.25Å; K7-E10 WeakPolarHBondContact CD-OE2 3.42Å; K7-E10 IonicContact NZ-OE1 2.72Å; K7-E10 PolarHBondContact NZ-OE1 3Å; K7-E10 IonicContact NZ-OE2 3.04Å; K7-E10 PolarHBondContact NZ-OE2 3.08Å; F8-E10 VanDerWaalsContact C-N 3.34Å; F8-E10 PolarHBondContact O-N 3.12Å; E10-G12 PolarHBondContact O-N 3Å; E10-G12 VanDerWaalsContact O-N 3.12Å
11S98.3Very high97.6Very high60 Ų6066.1 Ų66.142%0.4234%0.34SS..Hα-helixtrans-65.7-16.3-17476.90000115.2K7 F8 I9 R13K7-S11 WeakPolarHBondContact O-CB 3.5Å; K7-S11 PolarHBondContact O-N 3.4Å; F8-S11 PolarHBondContact O-N 3.43Å; F8-S11 PolarHBondContact O-OG 3.01Å; I9-S11 VanDerWaalsContact C-N 3.3Å; I9-S11 PolarHBondContact O-N 3.38Å; S11-R13 PolarHBondContact O-N 3.2Å; S11-R13 VanDerWaalsContact O-N 3.12Å; S11-R13 WeakPolarHBondContact OG-CB 3.22Å; S11-R13 VanDerWaalsContact OG-CG 3.23Å; S11-R13 WeakPolarHBondContact OG-CG 3.43Å; S11-R13 PolarHBondContact OG-N 2.98Å
12G97.8Very high97.9Very high46 Ų4666 Ų6647%0.47434%0.34SS..THydrogen-bonded Turntrans67.85.1-174.500000114.9I9 E10I9-G12 PolarHBondContact O-N 3.38Å; E10-G12 PolarHBondContact O-N 3Å; E10-G12 VanDerWaalsContact O-N 3.12Å
13R98.6Very high98.1Very high179 Ų17966.2 Ų66.268%0.67534%0.34SS*.  trans-71.2156.8-176.5-62.6-67.3-175.1178.31.1111.9F8 S11 R84F8-R13 HydrophobicContact CD2-CB 4.32Å; F8-R13 HydrophobicContact CE2-CB 4Å; F8-R13 VanDerWaalsContact CE2-O 3.26Å; F8-R13 WeakPolarHBondContact CE2-O 3.33Å; F8-R13 WeakPolarHBondContact CZ-O 3.46Å; S11-R13 PolarHBondContact O-N 3.2Å; S11-R13 VanDerWaalsContact O-N 3.12Å; S11-R13 WeakPolarHBondContact OG-CB 3.22Å; S11-R13 VanDerWaalsContact OG-CG 3.23Å; S11-R13 WeakPolarHBondContact OG-CG 3.43Å; S11-R13 PolarHBondContact OG-N 2.98Å; R13-R84 VanDerWaalsContact O-CD 3.32Å; R13-R84 WeakPolarHBondContact O-CD 3.36Å; R13-R84 PolarHBondContact O-NH1 3.37Å
14K98.6Very high98.2Very high141 Ų14162.4 Ų62.461%0.61331%0.314SS*.SBendtrans-78.5-27.7-173.9-71.9176.1175.1-177.70114.2P39 R84K14-P39 HydrophobicContact CB-CB 3.8Å; K14-P39 HydrophobicContact CB-CG 4.25Å; K14-P39 HydrophobicContact CD-CG 4.1Å; K14-P39 HydrophobicContact CG-CB 4.21Å; K14-P39 HydrophobicContact CG-CG 4.16Å; K14-R84 WeakPolarHBondContact O-CB 3.49Å; K14-R84 PolarHBondContact O-N 2.68Å
15W98.8Very high98.2Very high50 Ų5061 Ų6119%0.18931%0.31CS..EExtended strand (participates in β ladder)trans-138131.4-172.7-67.5106000109.9F8 L34 F37 P39 V43F8-W15 VanDerWaalsContact CE2-O 3.23Å; F8-W15 WeakPolarHBondContact CE2-O 3.44Å; W15-L34 HydrophobicContact CB-CD1 4.02Å; W15-L34 HydrophobicContact CD2-CB 4.34Å; W15-L34 HydrophobicContact CD2-CD1 4.02Å; W15-L34 HydrophobicContact CD2-CD2 3.93Å; W15-L34 HydrophobicContact CD2-CG 4.32Å; W15-L34 HydrophobicContact CE3-CD1 4.48Å; W15-L34 HydrophobicContact CE3-CD2 3.72Å; W15-L34 HydrophobicContact CG-CD1 3.79Å; W15-L34 HydrophobicContact CH2-CD2 4.21Å; W15-L34 HydrophobicContact CZ2-CB 4.29Å; W15-L34 HydrophobicContact CZ2-CD2 4.38Å; W15-L34 HydrophobicContact CZ3-CD2 3.87Å; W15-F37 HydrophobicContact CH2-CB 3.76Å; W15-F37 HydrophobicContact CZ2-CB 3.98Å; W15-P39 HydrophobicContact CZ2-CB 4.37Å; W15-V43 HydrophobicContact CH2-CB 3.97Å; W15-V43 HydrophobicContact CH2-CG1 3.83Å; W15-V43 HydrophobicContact CH2-CG2 4.3Å; W15-V43 HydrophobicContact CZ3-CB 3.99Å; W15-V43 HydrophobicContact CZ3-CG1 3.82Å
16F98.7Very high98.2Very high14 Ų1461.2 Ų61.26%0.06131%0.312CS..EExtended strand (participates in β ladder)trans-98.7130.4165.2175-108.2000107.3M1 E4 F8 H18 F80 C81 L82M1-F16 HydrophobicContact SD-CE1 4.13Å; M1-F16 HydrophobicContact SD-CZ 3.92Å; E4-F16 HydrophobicContact CB-CE2 4Å; E4-F16 HydrophobicContact CB-CZ 4.18Å; F8-F16 HydrophobicContact CB-CB 4.4Å; F8-F16 HydrophobicContact CB-CD2 3.56Å; F8-F16 HydrophobicContact CB-CE2 4.25Å; F8-F16 HydrophobicContact CB-CG 4.34Å; F8-F16 HydrophobicContact CD1-CB 3.66Å; F8-F16 HydrophobicContact CD1-CD2 4.27Å; F8-F16 HydrophobicContact CD1-CG 4.21Å; F8-F16 HydrophobicContact CD2-CB 3.74Å; F8-F16 HydrophobicContact CD2-CD2 4.26Å; F8-F16 HydrophobicContact CE1-CB 3.76Å; F8-F16 HydrophobicContact CE2-CB 3.86Å; F8-F16 VanDerWaalsContact CE2-N 3.34Å; F8-F16 HydrophobicContact CG-CB 3.63Å; F8-F16 AromaticContact CG-CD2 3.75Å; F8-F16 HydrophobicContact CG-CD2 3.75Å; F8-F16 HydrophobicContact CG-CG 4.07Å; F8-F16 HydrophobicContact CZ-CB 3.85Å; F16-H18 HydrophobicContact CE1-CB 3.94Å; F16-H18 HydrophobicContact CZ-CB 4.02Å; F16-F80 HydrophobicContact CD1-CE2 4.27Å; F16-F80 AromaticContact CE1-CE2 3.85Å; F16-F80 HydrophobicContact CE1-CE2 3.85Å; F16-F80 HydrophobicContact CE1-CZ 4.22Å; F16-C81 CarbonylContact O-C 3.43Å; F16-C81 WeakPolarHBondContact O-CA 3.25Å; F16-C81 WeakPolarHBondContact O-CB 3.39Å; F16-L82 HydrophobicContact CB-CB 4.31Å; F16-L82 HydrophobicContact CD1-CB 4.3Å; F16-L82 HydrophobicContact CD1-CD1 3.89Å; F16-L82 HydrophobicContact CD1-CG 4.3Å; F16-L82 HydrophobicContact CE1-CD1 4.38Å; F16-L82 PolarHBondContact N-O 3.36Å; F16-L82 PolarHBondContact O-N 3.14Å
17C98.8Very high98.3Very high47 Ų4763.2 Ų63.232%0.31833%0.326SS..EExtended strand (participates in β ladder)trans-132.1126168.7-63.50000108.3F80 C81C17-F80 CarbonylContact C-O 3.5Å; C17-F80 WeakPolarHBondContact CA-O 3.35Å; C17-C81 HydrophobicContact CB-CB 4.16Å; C17-C81 WeakPolarHBondContact CB-SG 3.45Å; C17-C81 WeakPolarHBondContact SG-CB 3.25Å; C17-C81 CovalentContact SG-SG 2.05Å; C17-C81 PolarHBondContact SG-SG 3.02Å
18H98.7Very high98.3Very high21 Ų2167.5 Ų67.510%0.09734%0.339CS..EExtended strand (participates in β ladder)trans-98.4141.2175173.280.3000109.3M1 E4 F16 D20 G79 F80M1-H18 HydrophobicContact CE-CB 4.15Å; M1-H18 VanDerWaalsContact CE-ND1 3.34Å; M1-H18 WeakPolarHBondContact CE-ND1 3.48Å; E4-H18 IonicContact OE2-CE1 2.88Å; E4-H18 IonicContact OE2-CG 2.67Å; E4-H18 IonicContact OE2-ND1 3.83Å; E4-H18 PolarHBondContact OE2-ND1 3.45Å; F16-H18 HydrophobicContact CE1-CB 3.94Å; F16-H18 HydrophobicContact CZ-CB 4.02Å; H18-D20 IonicContact CE1-OD1 3.52Å; H18-D20 IonicContact NE2-OD1 3.5Å; H18-G79 CarbonylContact O-C 3.59Å; H18-G79 WeakPolarHBondContact O-CA 3.44Å; H18-F80 HydrophobicContact CB-CD1 4.18Å; H18-F80 HydrophobicContact CB-CE1 3.69Å; H18-F80 HydrophobicContact CB-CE2 4.06Å; H18-F80 HydrophobicContact CB-CZ 3.62Å; H18-F80 AromaticContact CD2-CE1 3.5Å; H18-F80 AromaticContact CG-CE1 3.84Å; H18-F80 PolarHBondContact N-O 2.72Å; H18-F80 PolarHBondContact O-N 3.5Å
19V98.4Very high98.3Very high57 Ų5767.9 Ų67.935%0.34534%0.344SS..  trans-148.8151173.7-66.40000108.6N23 V25 T152V19-N23 HydrophobicContact CB-CB 3.96Å; V19-V25 HydrophobicContact CB-CG2 4.33Å; V19-V25 HydrophobicContact CG1-CG2 3.77Å; V19-V25 HydrophobicContact CG2-CG2 4.05Å; V19-T152 HydrophobicContact CG1-CG2 4.04Å
20D97.6Very high98.3Very high62 Ų6267.8 Ų67.833%0.33234%0.343SS..  trans-83.6169174.6-73-26.9000111.7H18 D22 N23 G77H18-D20 IonicContact CE1-OD1 3.52Å; H18-D20 IonicContact NE2-OD1 3.5Å; D20-D22 PolarHBondContact O-N 3.12Å; D20-N23 PolarHBondContact N-OD1 3.38Å; D20-N23 WeakPolarHBondContact O-CB 3.44Å; D20-N23 PolarHBondContact O-N 2.85Å; D20-N23 VanDerWaalsContact O-N 3.16Å; D20-G77 WeakPolarHBondContact OD2-CA 3.44Å; D20-G77 PolarHBondContact OD2-N 2.97Å
21D97.2Very high98.4Very high161 Ų16167.4 Ų67.486%0.86135%0.345SS*.THydrogen-bonded Turntrans-69.4-15.4-179.865.1-8.6000113.9
22D97.5Very high98.4Very high20 Ų2071.2 Ų71.211%0.10736%0.356CS..THydrogen-bonded Turntrans-93.38.1174.175.212000113.8D20 H135 S154 Y155 F180D20-D22 PolarHBondContact O-N 3.12Å; D22-H135 IonicContact OD2-CE1 2.75Å; D22-H135 PolarHBondContact OD2-CE1 3.25Å; D22-H135 IonicContact OD2-ND1 3.36Å; D22-H135 PolarHBondContact OD2-ND1 3.48Å; D22-S154 WeakPolarHBondContact O-CA 3.34Å; D22-S154 PolarHBondContact OD1-OG 2.85Å; D22-Y155 HydrophobicContact CB-CD1 4.3Å; D22-Y155 HydrophobicContact CB-CE1 3.71Å; D22-Y155 HydrophobicContact CB-CE2 4.21Å; D22-Y155 WeakPolarHBondContact O-CD1 3.4Å; D22-Y155 WeakPolarHBondContact O-CE1 3.36Å; D22-F180 WeakPolarHBondContact O-CE2 3.35Å; D22-F180 WeakPolarHBondContact O-CZ 3.49Å
23N98.6Very high98.4Very high19 Ų1970.1 Ų70.110%0.10234%0.339CS..PPolyproline II helixtrans-98140.1-179.1-69.1174.5000112.5V19 D20 G77 L153V19-N23 HydrophobicContact CB-CB 3.96Å; D20-N23 PolarHBondContact N-OD1 3.38Å; D20-N23 WeakPolarHBondContact O-CB 3.44Å; D20-N23 PolarHBondContact O-N 2.85Å; D20-N23 VanDerWaalsContact O-N 3.16Å; N23-G77 PolarHBondContact ND2-O 3.02Å; N23-L153 CarbonylContact C-O 3.46Å; N23-L153 WeakPolarHBondContact CA-O 3.42Å
24Y98.6Very high98.4Very high28 Ų2862.2 Ų62.211%0.1131%0.31CS..EExtended strand (participates in β ladder)trans-100.6123.4166.6-172.7-82.7000109.5T152 L153 F180 V183 H184 L187Y24-T152 CarbonylContact O-C 3.52Å; Y24-T152 VanDerWaalsContact O-CA 3.27Å; Y24-T152 WeakPolarHBondContact O-CA 3.25Å; Y24-L153 PolarHBondContact N-O 3.09Å; Y24-L153 PolarHBondContact O-N 3.47Å; Y24-F180 VanDerWaalsContact CB-CZ 3.44Å; Y24-F180 HydrophobicContact CD2-CB 4Å; Y24-F180 HydrophobicContact CD2-CD1 4.37Å; Y24-F180 HydrophobicContact CD2-CD2 4.1Å; Y24-F180 AromaticContact CD2-CG 3.92Å; Y24-F180 HydrophobicContact CD2-CG 3.92Å; Y24-F180 HydrophobicContact CG-CD1 4.42Å; Y24-F180 HydrophobicContact CG-CG 4.37Å; Y24-V183 HydrophobicContact CD1-CG1 3.96Å; Y24-V183 HydrophobicContact CE1-CG1 3.72Å; Y24-V183 HydrophobicContact CE2-CG1 4.44Å; Y24-V183 HydrophobicContact CG-CG1 4.44Å; Y24-H184 HydrophobicContact CE2-CB 3.99Å; Y24-H184 WeakPolarHBondContact OH-CA 3.37Å; Y24-H184 PolarHBondContact OH-ND1 2.95Å; Y24-H184 VanDerWaalsContact OH-ND1 3.15Å; Y24-L187 HydrophobicContact CE1-CD1 3.57Å
25V98.8Very high98.4Very high48 Ų4859.5 Ų59.529%0.29131%0.309SS..EExtended strand (participates in β ladder)trans-102.1128.8178.1-175.30000110.7V19 P27 L30 T152V19-V25 HydrophobicContact CB-CG2 4.33Å; V19-V25 HydrophobicContact CG1-CG2 3.77Å; V19-V25 HydrophobicContact CG2-CG2 4.05Å; V25-P27 WeakPolarHBondContact O-CD 3.37Å; V25-L30 HydrophobicContact CG1-CD2 4.18Å; V25-T152 HydrophobicContact CG2-CG2 4.41Å
26N98.6Very high98.4Very high9 Ų961.3 Ų61.35%0.04833%0.329CS..  trans-94.298166.8-176.6-14.4000110R28 S29 L30 L148 Q150 V151N26-R28 VanDerWaalsContact C-N 3.25Å; N26-R28 PolarHBondContact O-N 2.89Å; N26-R28 PolarHBondContact OD1-N 2.9Å; N26-S29 PolarHBondContact ND2-OG 2.92Å; N26-S29 VanDerWaalsContact ND2-OG 3.16Å; N26-S29 PolarHBondContact O-N 2.98Å; N26-S29 PolarHBondContact OD1-N 3.3Å; N26-L30 WeakPolarHBondContact O-CB 3.23Å; N26-L30 PolarHBondContact O-N 3.07Å; N26-L148 PolarHBondContact ND2-O 3.48Å; N26-Q150 WeakPolarHBondContact CB-O 3.42Å; N26-Q150 PolarHBondContact ND2-O 3.22Å; N26-V151 PolarHBondContact N-O 2.79Å
27P98.2Very high98.3Very high70 Ų7063.5 Ų63.546%0.45534%0.338SS..Hα-helixtrans-65.2-27.3-174.425.9-35.4000113.2V25 L31V25-P27 WeakPolarHBondContact O-CD 3.37Å; P27-L31 VanDerWaalsContact O-CB 3.31Å; P27-L31 WeakPolarHBondContact O-CB 3.42Å; P27-L31 PolarHBondContact O-N 3.25Å
28R98.3Very high98.3Very high208 Ų20863.4 Ų63.479%0.78534%0.338SS*.Hα-helixtrans-68.9-48.1178.2-175.1178-177.81720.8111N26 L31 H32N26-R28 VanDerWaalsContact C-N 3.25Å; N26-R28 PolarHBondContact O-N 2.89Å; N26-R28 PolarHBondContact OD1-N 2.9Å; R28-L31 PolarHBondContact O-N 3.22Å; R28-H32 WeakPolarHBondContact O-CB 3.48Å; R28-H32 PolarHBondContact O-N 3.31Å
29S98.6Very high98.3Very high21 Ų2164 Ų6415%0.14734%0.344CS..Hα-helixtrans-64.7-40.5175.1-690000111.8N26 H32 L33 Q149N26-S29 PolarHBondContact ND2-OG 2.92Å; N26-S29 VanDerWaalsContact ND2-OG 3.16Å; N26-S29 PolarHBondContact O-N 2.98Å; N26-S29 PolarHBondContact OD1-N 3.3Å; S29-H32 PolarHBondContact O-N 3.48Å; S29-L33 PolarHBondContact O-N 2.93Å; S29-Q149 VanDerWaalsContact CB-O 3.28Å; S29-Q149 WeakPolarHBondContact CB-O 3.37Å; S29-Q149 PolarHBondContact OG-O 3.38Å
30L98.8Very high98.2Very high28 Ų2865.6 Ų65.615%0.14736%0.357CS..Hα-helixtrans-58.7-50.6176-179.659.6000111.2V25 N26 H32 L33 L34 V151V25-L30 HydrophobicContact CG1-CD2 4.18Å; N26-L30 WeakPolarHBondContact O-CB 3.23Å; N26-L30 PolarHBondContact O-N 3.07Å; L30-H32 VanDerWaalsContact C-N 3.33Å; L30-H32 PolarHBondContact O-N 2.98Å; L30-L33 PolarHBondContact O-N 3.1Å; L30-L34 HydrophobicContact CD1-CD1 3.81Å; L30-L34 HydrophobicContact CD1-CD2 4.45Å; L30-L34 HydrophobicContact CD1-CG 3.93Å; L30-L34 HydrophobicContact CG-CD1 3.91Å; L30-L34 HydrophobicContact CG-CG 4.35Å; L30-L34 WeakPolarHBondContact O-CB 3.41Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 2.53Å; L30-V151 HydrophobicContact CB-CG1 3.98Å; L30-V151 HydrophobicContact CD1-CG1 3.65Å; L30-V151 HydrophobicContact CG-CG1 4.36Å
31L98.5Very high98.2Very high127 Ų12767.7 Ų67.767%0.66537%0.365SS*.Hα-helixtrans-60.4-43.4179.1-179.962.9000111.7P27 R28 L34 S35P27-L31 VanDerWaalsContact O-CB 3.31Å; P27-L31 WeakPolarHBondContact O-CB 3.42Å; P27-L31 PolarHBondContact O-N 3.25Å; R28-L31 PolarHBondContact O-N 3.22Å; L31-L34 PolarHBondContact O-N 2.81Å; L31-S35 WeakPolarHBondContact O-CB 3.13Å; L31-S35 PolarHBondContact O-N 2.94Å
32H98.5Very high98.3Very high140 Ų14063.1 Ų63.165%0.64834%0.341SS*.Hα-helixtrans-59-48.2176.8-178.5-89.8000111.5R28 S29 L30 S35R28-H32 WeakPolarHBondContact O-CB 3.48Å; R28-H32 PolarHBondContact O-N 3.31Å; S29-H32 PolarHBondContact O-N 3.48Å; L30-H32 VanDerWaalsContact C-N 3.33Å; L30-H32 PolarHBondContact O-N 2.98Å; H32-S35 PolarHBondContact O-N 3.39Å; H32-S35 PolarHBondContact O-OG 3.43Å
33L98.6Very high98.3Very high23 Ų2362.3 Ų62.312%0.1234%0.337CS..Hα-helixtrans-58.4-53.6176.2175.863.2000111.6S29 L30 S35 S36 F37 L45 L131 F132 V151S29-L33 PolarHBondContact O-N 2.93Å; L30-L33 PolarHBondContact O-N 3.1Å; L33-S35 PolarHBondContact O-N 3.46Å; L33-S36 WeakPolarHBondContact O-CB 3.39Å; L33-S36 PolarHBondContact O-N 3.1Å; L33-S36 VanDerWaalsContact O-N 3.16Å; L33-F37 HydrophobicContact CD1-CE2 4.19Å; L33-F37 WeakPolarHBondContact O-CD2 3.49Å; L33-L45 HydrophobicContact CG-CD1 4.47Å; L33-L131 HydrophobicContact CD1-CD1 4.38Å; L33-L131 HydrophobicContact CD2-CD1 4.38Å; L33-F132 HydrophobicContact CD2-CE2 3.58Å; L33-F132 HydrophobicContact CD2-CZ 3.98Å; L33-V151 HydrophobicContact CB-CG2 4.42Å; L33-V151 HydrophobicContact CD2-CG2 4.08Å
34L98.6Very high98.3Very high13 Ų1361.4 Ų61.47%0.06833%0.332CS..Hα-helixtrans-64.9-27.3-176.1-64.8-178.6000112.9W15 L30 L31 S36 F37 L45 C81W15-L34 HydrophobicContact CB-CD1 4.02Å; W15-L34 HydrophobicContact CD2-CB 4.34Å; W15-L34 HydrophobicContact CD2-CD1 4.02Å; W15-L34 HydrophobicContact CD2-CD2 3.93Å; W15-L34 HydrophobicContact CD2-CG 4.32Å; W15-L34 HydrophobicContact CE3-CD1 4.48Å; W15-L34 HydrophobicContact CE3-CD2 3.72Å; W15-L34 HydrophobicContact CG-CD1 3.79Å; W15-L34 HydrophobicContact CH2-CD2 4.21Å; W15-L34 HydrophobicContact CZ2-CB 4.29Å; W15-L34 HydrophobicContact CZ2-CD2 4.38Å; W15-L34 HydrophobicContact CZ3-CD2 3.87Å; L30-L34 HydrophobicContact CD1-CD1 3.81Å; L30-L34 HydrophobicContact CD1-CD2 4.45Å; L30-L34 HydrophobicContact CD1-CG 3.93Å; L30-L34 HydrophobicContact CG-CD1 3.91Å; L30-L34 HydrophobicContact CG-CG 4.35Å; L30-L34 WeakPolarHBondContact O-CB 3.41Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 2.53Å; L31-L34 PolarHBondContact O-N 2.81Å; L34-S36 PolarHBondContact O-N 3.08Å; L34-F37 PolarHBondContact O-N 2.92Å; L34-L45 HydrophobicContact CD2-CD1 3.8Å; L34-C81 HydrophobicContact CD2-CB 4.09Å
35S98.2Very high98.3Very high84 Ų8460.3 Ų60.359%0.58733%0.328SS*.THydrogen-bonded Turntrans-65.9-16.4177.775.30000114.1L31 H32 L33 F37L31-S35 WeakPolarHBondContact O-CB 3.13Å; L31-S35 PolarHBondContact O-N 2.94Å; H32-S35 PolarHBondContact O-N 3.39Å; H32-S35 PolarHBondContact O-OG 3.43Å; L33-S35 PolarHBondContact O-N 3.46Å; S35-F37 PolarHBondContact O-N 2.97Å
36S97.9Very high98.3Very high87 Ų8758 Ų5861%0.60831%0.314SS*.THydrogen-bonded Turntrans-78-4.7177.5-57.90000113.3L33 L34L33-S36 WeakPolarHBondContact O-CB 3.39Å; L33-S36 PolarHBondContact O-N 3.1Å; L33-S36 VanDerWaalsContact O-N 3.16Å; L34-S36 PolarHBondContact O-N 3.08Å
37F98.3Very high98.3Very high61 Ų6161 Ų6127%0.26832%0.324SS..SBendtrans-128.3150.9-173.7-59.4-82.9000112W15 L33 L34 S35 V43 L45 L127W15-F37 HydrophobicContact CH2-CB 3.76Å; W15-F37 HydrophobicContact CZ2-CB 3.98Å; L33-F37 HydrophobicContact CD1-CE2 4.19Å; L33-F37 WeakPolarHBondContact O-CD2 3.49Å; L34-F37 PolarHBondContact O-N 2.92Å; S35-F37 PolarHBondContact O-N 2.97Å; F37-V43 HydrophobicContact CB-CG1 4.42Å; F37-V43 HydrophobicContact CB-CG2 4.06Å; F37-V43 HydrophobicContact CD1-CG1 4.18Å; F37-V43 HydrophobicContact CD1-CG2 4.1Å; F37-V43 HydrophobicContact CG-CG1 4.13Å; F37-V43 HydrophobicContact CG-CG2 4.32Å; F37-L45 HydrophobicContact CD2-CD1 3.94Å; F37-L45 HydrophobicContact CE2-CD1 3.76Å; F37-L45 HydrophobicContact CE2-CD2 3.97Å; F37-L45 HydrophobicContact CE2-CG 4.46Å; F37-L45 HydrophobicContact CZ-CD1 4.41Å; F37-L45 HydrophobicContact CZ-CD2 3.9Å; F37-L127 HydrophobicContact CD1-CD1 4.36Å; F37-L127 HydrophobicContact CE1-CD1 3.68Å; F37-L127 HydrophobicContact CZ-CD1 4.22Å
38S98.1Very high98.1Very high45 Ų4559 Ų5932%0.31531%0.311SS..  trans-81.5131.9168.7-179.60000110.7S40 Q41S38-S40 PolarHBondContact O-N 3.12Å; S38-S40 VanDerWaalsContact O-N 3.14Å; S38-S40 PolarHBondContact OG-N 3.23Å; S38-S40 PolarHBondContact OG-OG 3.19Å; S38-Q41 PolarHBondContact O-N 3.12Å; S38-Q41 VanDerWaalsContact O-N 3.14Å
39P97.9Very high97.4Very high33 Ų3351.3 Ų51.321%0.21429%0.29CS..THydrogen-bonded Turntrans-70.2-6.5176.231.5-37.5000113.7K14 W15 R84 G85K14-P39 HydrophobicContact CB-CB 3.8Å; K14-P39 HydrophobicContact CB-CG 4.25Å; K14-P39 HydrophobicContact CD-CG 4.1Å; K14-P39 HydrophobicContact CG-CB 4.21Å; K14-P39 HydrophobicContact CG-CG 4.16Å; W15-P39 HydrophobicContact CZ2-CB 4.37Å; P39-R84 PolarHBondContact O-N 3.38Å; P39-G85 PolarHBondContact O-N 2.97Å
40S97.9Very high96.9Very high90 Ų9053.7 Ų53.763%0.62930%0.301SS*.THydrogen-bonded Turntrans-91.1-11.3173.969.90000113.6S38S38-S40 PolarHBondContact O-N 3.12Å; S38-S40 VanDerWaalsContact O-N 3.14Å; S38-S40 PolarHBondContact OG-N 3.23Å; S38-S40 PolarHBondContact OG-OG 3.19Å
41Q97.1Very high96.6Very high106 Ų10659.3 Ų59.350%0.49533%0.331SS..SBendtrans-82.9170.8175.7-72.8173.6-49.900110.9S38 V43 S83S38-Q41 PolarHBondContact O-N 3.12Å; S38-Q41 VanDerWaalsContact O-N 3.14Å; Q41-V43 HydrophobicContact CB-CG2 4Å; Q41-V43 PolarHBondContact O-N 2.71Å; Q41-S83 WeakPolarHBondContact O-CB 3.3Å; Q41-S83 PolarHBondContact O-OG 3.29Å
42D98.4Very high96.3Very high65 Ų6558 Ų5835%0.34832%0.321SS..  trans-87.185.7175.7-64.8-12.9000109.9L86 K89 A124D42-L86 HydrophobicContact CB-CD1 4.21Å; D42-K89 WeakPolarHBondContact OD1-CD 3.45Å; D42-K89 WeakPolarHBondContact OD1-CE 3.08Å; D42-K89 IonicContact OD1-NZ 2.7Å; D42-K89 PolarHBondContact OD1-NZ 2.86Å; D42-K89 IonicContact OD2-NZ 2.67Å; D42-K89 PolarHBondContact OD2-NZ 3.36Å; D42-A124 HydrophobicContact CB-CB 4.18Å
43V98.8Very high96.1Very high4 Ų453.3 Ų53.32%0.02430%0.303CS..  trans-113.1120.1-177.1-177.70000110.3W15 F37 Q41 L45 L82 S83 L86 L127W15-V43 HydrophobicContact CH2-CB 3.97Å; W15-V43 HydrophobicContact CH2-CG1 3.83Å; W15-V43 HydrophobicContact CH2-CG2 4.3Å; W15-V43 HydrophobicContact CZ3-CB 3.99Å; W15-V43 HydrophobicContact CZ3-CG1 3.82Å; F37-V43 HydrophobicContact CB-CG1 4.42Å; F37-V43 HydrophobicContact CB-CG2 4.06Å; F37-V43 HydrophobicContact CD1-CG1 4.18Å; F37-V43 HydrophobicContact CD1-CG2 4.1Å; F37-V43 HydrophobicContact CG-CG1 4.13Å; F37-V43 HydrophobicContact CG-CG2 4.32Å; Q41-V43 HydrophobicContact CB-CG2 4Å; Q41-V43 PolarHBondContact O-N 2.71Å; V43-L45 HydrophobicContact CG1-CD1 3.68Å; V43-L45 HydrophobicContact CG1-CG 3.72Å; V43-L82 WeakPolarHBondContact O-CA 3.44Å; V43-S83 PolarHBondContact N-OG 3.3Å; V43-S83 PolarHBondContact O-N 3.42Å; V43-S83 PolarHBondContact O-OG 2.92Å; V43-S83 VanDerWaalsContact O-OG 3.09Å; V43-L86 WeakPolarHBondContact O-CD2 3.19Å; V43-L127 HydrophobicContact CG1-CD1 4.14Å
44Y98.8Very high95.9Very high0 Ų053.7 Ų53.70%031%0.305CS..EExtended strand (participates in β ladder)trans-123.7114.1168.9178.4-155000108.3A74 F80 C81 L82 V114 V118 L126 L127Y44-A74 HydrophobicContact CE2-CB 3.78Å; Y44-A74 WeakPolarHBondContact OH-CB 3.37Å; Y44-A74 PolarHBondContact OH-N 3.4Å; Y44-F80 HydrophobicContact CD2-CD2 4.41Å; Y44-F80 HydrophobicContact CE2-CB 4.03Å; Y44-F80 AromaticContact CE2-CD2 3.74Å; Y44-F80 HydrophobicContact CE2-CD2 3.74Å; Y44-F80 HydrophobicContact CE2-CE2 4.46Å; Y44-F80 HydrophobicContact CE2-CG 4.02Å; Y44-C81 WeakPolarHBondContact CA-O 3.34Å; Y44-L82 HydrophobicContact CD2-CD2 3.38Å; Y44-L82 HydrophobicContact CD2-CG 4.3Å; Y44-L82 HydrophobicContact CE2-CD2 4.04Å; Y44-L82 HydrophobicContact CG-CD2 3.78Å; Y44-V114 HydrophobicContact CE2-CG1 4.06Å; Y44-V118 HydrophobicContact CD1-CB 4.04Å; Y44-V118 HydrophobicContact CD1-CG1 3.61Å; Y44-V118 HydrophobicContact CD1-CG2 4.29Å; Y44-V118 HydrophobicContact CE1-CB 4.36Å; Y44-V118 HydrophobicContact CE1-CG1 4.38Å; Y44-V118 HydrophobicContact CG-CG1 4.12Å; Y44-L126 HydrophobicContact CD1-CB 3.93Å; Y44-L126 HydrophobicContact CD1-CD1 3.71Å; Y44-L126 HydrophobicContact CD1-CG 4.42Å; Y44-L126 HydrophobicContact CD2-CD1 4.11Å; Y44-L126 HydrophobicContact CE1-CB 4.19Å; Y44-L126 HydrophobicContact CE1-CD1 3.78Å; Y44-L126 HydrophobicContact CE1-CG 4.48Å; Y44-L126 HydrophobicContact CE2-CD1 4.14Å; Y44-L126 HydrophobicContact CG-CD1 3.92Å; Y44-L127 WeakPolarHBondContact O-CB 3.34Å; Y44-L127 PolarHBondContact O-N 2.77Å
45L98.6Very high95.6Very high4 Ų458.2 Ų58.22%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-116.5137.8-175.6-73.8159.8000110.2L33 L34 F37 V43 F80 C81 L127L33-L45 HydrophobicContact CG-CD1 4.47Å; L34-L45 HydrophobicContact CD2-CD1 3.8Å; F37-L45 HydrophobicContact CD2-CD1 3.94Å; F37-L45 HydrophobicContact CE2-CD1 3.76Å; F37-L45 HydrophobicContact CE2-CD2 3.97Å; F37-L45 HydrophobicContact CE2-CG 4.46Å; F37-L45 HydrophobicContact CZ-CD1 4.41Å; F37-L45 HydrophobicContact CZ-CD2 3.9Å; V43-L45 HydrophobicContact CG1-CD1 3.68Å; V43-L45 HydrophobicContact CG1-CG 3.72Å; L45-F80 CarbonylContact O-C 3.56Å; L45-F80 VanDerWaalsContact O-CA 3.25Å; L45-F80 WeakPolarHBondContact O-CA 3.31Å; L45-F80 VanDerWaalsContact O-CB 3.32Å; L45-F80 WeakPolarHBondContact O-CB 3.44Å; L45-C81 HydrophobicContact CB-CB 4.49Å; L45-C81 PolarHBondContact N-O 2.93Å; L45-C81 PolarHBondContact O-N 2.97Å; L45-L127 HydrophobicContact CD2-CB 3.65Å; L45-L127 HydrophobicContact CD2-CD1 4.28Å; L45-L127 HydrophobicContact CG-CB 4.4Å
46G98.4Very high95.1Very high0 Ų054.4 Ų54.40%030%0.299CS..EExtended strand (participates in β ladder)trans170.7-170.8173.100000111.7L127 H128 S129G46-L127 PolarHBondContact N-O 3.49Å; G46-H128 WeakPolarHBondContact O-CA 3.46Å; G46-S129 PolarHBondContact O-N 3.16Å
47R97.4Very high94.4Very high71 Ų7154.1 Ų54.127%0.26829%0.294SS..  trans-101.1129.7175.2-167.7-171.6-161.9121.9-11.3110.4A74 T75 A78 F132 H133 E137R47-A74 CarbonylContact O-C 3.47Å; R47-A74 VanDerWaalsContact O-CA 3.25Å; R47-A74 WeakPolarHBondContact O-CA 3.43Å; R47-T75 PolarHBondContact O-N 3.27Å; R47-T75 PolarHBondContact O-OG1 3.26Å; R47-A78 HydrophobicContact CB-CB 4.22Å; R47-F132 HydrophobicContact CB-CB 4.21Å; R47-F132 WeakPolarHBondContact CD-O 3.5Å; R47-F132 PolarHBondContact NH1-O 3.16Å; R47-F132 VanDerWaalsContact NH1-O 3.11Å; R47-H133 PolarHBondContact NH1-CE1 2.91Å; R47-H133 PolarHBondContact NH1-ND1 3.31Å; R47-E137 VanDerWaalsContact CD-OE1 3.25Å; R47-E137 WeakPolarHBondContact CD-OE1 3.35Å; R47-E137 IonicContact CZ-OE1 3.51Å; R47-E137 IonicContact CZ-OE2 3.93Å; R47-E137 IonicContact NE-OE1 3.16Å; R47-E137 PolarHBondContact NE-OE1 3.22Å; R47-E137 IonicContact NE-OE2 2.8Å; R47-E137 IonicContact NH1-OE1 3.43Å; R47-E137 PolarHBondContact NH1-OE1 3.21Å; R47-E137 IonicContact NH1-OE2 3.75Å; R47-E137 PolarHBondContact NH1-OE2 2.93Å; R47-E137 VanDerWaalsContact NH2-CD 3.3Å; R47-E137 IonicContact NH2-OE1 3.65Å; R47-E137 IonicContact NH2-OE2 2.67Å; R47-E137 PolarHBondContact NH2-OE2 3.41Å
48P95.1Very high93.2Very high28 Ų2854.2 Ų54.218%0.18230%0.295CS..BIsolated β-bridgetrans-66.3142.7171.631.1-37.6000111.3W72 F73 L126P48-W72 HydrophobicContact CB-CE3 3.87Å; P48-W72 HydrophobicContact CB-CZ3 4.14Å; P48-F73 WeakPolarHBondContact CA-O 3.13Å; P48-L126 HydrophobicContact CB-CD2 4.14Å
49S82.3Confident91.6Very high47 Ų4761.5 Ų61.533%0.32932%0.316SS..SBendtrans-78.7-28.4-179.6-155.40000113.8T75S49-T75 WeakPolarHBondContact CA-OG1 3.49Å; S49-T75 WeakPolarHBondContact CB-OG1 3.27Å; S49-T75 PolarHBondContact N-OG1 3.01Å; S49-T75 PolarHBondContact OG-OG1 3.04Å
50L89.8Confident89.8Confident72 Ų7263 Ų6338%0.37732%0.324SS..SBendtrans-121169.7-176.3-61177.5000110.5H52 I54 W72L50-H52 VanDerWaalsContact C-N 3.3Å; L50-H52 WeakPolarHBondContact CB-O 3.2Å; L50-I54 HydrophobicContact CD1-CG2 3.39Å; L50-W72 WeakPolarHBondContact O-CZ3 3.5Å
51D90.8Very high87.4Confident145 Ų14568.4 Ų68.478%0.77534%0.339SS*.SBendtrans-88.72.7169.965.5-14.8000113W72D51-W72 WeakPolarHBondContact O-CH2 3.09Å
52H92.3Very high85.5Confident100 Ų10066.8 Ų66.846%0.46335%0.352SS..SBendtrans-143.9154.517859.3-83.6000111.2L50 W72L50-H52 VanDerWaalsContact C-N 3.3Å; L50-H52 WeakPolarHBondContact CB-O 3.2Å; H52-W72 VanDerWaalsContact CA-CH2 3.47Å
53P94.2Very high83.4Confident41 Ų4167.4 Ų67.427%0.26637%0.373SS..  trans-69.2150.8174.230.1-34.5000111F71 W72P53-F71 CarbonylContact C-O 3.5Å; P53-F71 WeakPolarHBondContact CA-O 3.41Å; P53-F71 VanDerWaalsContact CB-O 3.29Å; P53-F71 WeakPolarHBondContact CB-O 3.32Å; P53-W72 HydrophobicContact CB-CD2 4.2Å; P53-W72 HydrophobicContact CB-CG 4.3Å; P53-W72 HydrophobicContact CG-CZ2 4.49Å
54I94.4Very high81.3Confident32 Ų3278.4 Ų78.416%0.16441%0.414CS..EExtended strand (participates in β ladder)trans-89.9167173.564.2170000111L50 K70 F71 F73 L108 C112L50-I54 HydrophobicContact CD1-CG2 3.39Å; I54-K70 VanDerWaalsContact O-CA 3.31Å; I54-K70 WeakPolarHBondContact O-CA 3.32Å; I54-F71 HydrophobicContact CD1-CE2 3.56Å; I54-F71 HydrophobicContact CD1-CZ 3.55Å; I54-F71 HydrophobicContact CG1-CD2 4.1Å; I54-F71 HydrophobicContact CG1-CE1 4.1Å; I54-F71 HydrophobicContact CG1-CE2 3.54Å; I54-F71 HydrophobicContact CG1-CZ 3.51Å; I54-F71 PolarHBondContact N-O 2.95Å; I54-F71 PolarHBondContact O-N 3.34Å; I54-F73 HydrophobicContact CD1-CD1 3.84Å; I54-F73 HydrophobicContact CD1-CE1 3.87Å; I54-F73 HydrophobicContact CG1-CD1 4.07Å; I54-F73 HydrophobicContact CG1-CE1 4.22Å; I54-F73 HydrophobicContact CG2-CD1 4.5Å; I54-F73 HydrophobicContact CG2-CE1 3.89Å; I54-L108 HydrophobicContact CD1-CD2 4.31Å; I54-C112 HydrophobicContact CD1-CB 4.1Å
55E92.7Very high79.2Confident108 Ų10882.8 Ų82.851%0.50544%0.441SS..EExtended strand (participates in β ladder)trans-116.1130.5-179.8-54.8-165.7164.900110.7T68 V69 K70E55-T68 HydrophobicContact CB-CG2 3.77Å; E55-T68 HydrophobicContact CG-CG2 4.21Å; E55-T68 WeakPolarHBondContact OE2-CG2 3.31Å; E55-V69 CarbonylContact C-O 3.52Å; E55-V69 WeakPolarHBondContact CA-O 3.3Å; E55-K70 HydrophobicContact CG-CD 4.44Å; E55-K70 HydrophobicContact CG-CG 4.11Å; E55-K70 WeakPolarHBondContact OE1-CE 3.5Å; E55-K70 IonicContact OE1-NZ 2.96Å; E55-K70 PolarHBondContact OE1-NZ 3.29Å
56A88Confident77.7Confident4 Ų487.1 Ų87.13%0.03347%0.467CS..EExtended strand (participates in β ladder)trans-111.1140.4167.800000110T68 V69 F71 L108 Y116A56-T68 WeakPolarHBondContact O-CA 3.41Å; A56-V69 PolarHBondContact N-O 2.85Å; A56-V69 PolarHBondContact O-N 2.77Å; A56-F71 HydrophobicContact CB-CE1 3.5Å; A56-F71 HydrophobicContact CB-CZ 4.05Å; A56-L108 HydrophobicContact CB-CD1 4.22Å; A56-Y116 HydrophobicContact CB-CD2 3.9Å; A56-Y116 HydrophobicContact CB-CE2 4.05Å
57T83.1Confident76.7Confident81 Ų8189.8 Ų89.850%0.49748%0.483SS..EExtended strand (participates in β ladder)trans-99.6114.6179.8-56.90000109.3V66T57-V66 HydrophobicContact CG2-CG1 3.14Å
58E73Confident76.2Confident63 Ų6389.9 Ų89.929%0.29449%0.492SS..EExtended strand (participates in β ladder)trans-95.7129.5175.3-173.5177.8-147.800110.3V66 T67E58-V66 WeakPolarHBondContact O-CA 3.46Å; E58-T67 PolarHBondContact N-O 2.05Å; E58-T67 PolarHBondContact O-N 3.04Å; E58-T67 VanDerWaalsContact O-N 3.17Å; E58-T67 PolarHBondContact OE2-OG1 3.34Å
59R65.5Low76Confident198 Ų19890 Ų9075%0.74749%0.493SS*.EExtended strand (participates in β ladder)trans-96.7105.2173.8-67-179.1-179.9172.4-0.7108.5
60V59Low76.6Confident65 Ų6594.2 Ų94.239%0.39451%0.505SS..  trans-67136175.2-175.20000109.8G62 G63 T65V60-G62 PolarHBondContact O-N 3.42Å; V60-G62 VanDerWaalsContact O-N 3.12Å; V60-G63 PolarHBondContact O-N 3.47Å; V60-T65 PolarHBondContact N-O 3.05Å
61Q48.5Very low76.9Confident202 Ų20290.8 Ų90.894%0.94449%0.487SS*.THydrogen-bonded Turntrans-55.4117.4172.6-74-176.7-1.700109.6
62G56.6Low77.2Confident73 Ų7387.1 Ų87.175%0.75346%0.462SS*.THydrogen-bonded Turntrans122.4-5.3-172.700000114.8V60 R64V60-G62 PolarHBondContact O-N 3.42Å; V60-G62 VanDerWaalsContact O-N 3.12Å; G62-R64 VanDerWaalsContact C-N 3.33Å; G62-R64 PolarHBondContact O-N 2.93Å
63G53.9Low77.5Confident77 Ų7783.2 Ų83.279%0.79444%0.444SS*.SBendtrans74.16.7157.600000117.4V60V60-G63 PolarHBondContact O-N 3.47Å
64R54.1Low77.7Confident236 Ų23681.2 Ų81.289%0.89143%0.431SS*.SBendtrans-119.3-12.7-174.9-69.7-179.970120-1.5115.9G62G62-R64 VanDerWaalsContact C-N 3.33Å; G62-R64 PolarHBondContact O-N 2.93Å
65T56Low77.8Confident92 Ų9280.1 Ų80.156%0.56443%0.426SS*.  trans-126.4117-179.6-2.60000109.9V60V60-T65 PolarHBondContact N-O 3.05Å
66V67.4Low78.1Confident94 Ų9475.2 Ų75.257%0.5740%0.404SS*.EExtended strand (participates in β ladder)trans-99.7112.7171.2173.90000106.4T57 E58T57-V66 HydrophobicContact CG2-CG1 3.14Å; E58-V66 WeakPolarHBondContact O-CA 3.46Å
67T77.8Confident78.5Confident56 Ų5675.4 Ų75.434%0.34441%0.406SS..EExtended strand (participates in β ladder)trans-96.1125.5174.635.10000108.8E58E58-T67 PolarHBondContact N-O 2.05Å; E58-T67 PolarHBondContact O-N 3.04Å; E58-T67 VanDerWaalsContact O-N 3.17Å; E58-T67 PolarHBondContact OE2-OG1 3.34Å
68T85.6Confident79.2Confident74 Ų7471.5 Ų71.545%0.45438%0.383SS..EExtended strand (participates in β ladder)trans-96.2124.1174.2-55.40000108.8E55 A56E55-T68 HydrophobicContact CB-CG2 3.77Å; E55-T68 HydrophobicContact CG-CG2 4.21Å; E55-T68 WeakPolarHBondContact OE2-CG2 3.31Å; A56-T68 WeakPolarHBondContact O-CA 3.41Å
69V91.1Very high80.4Confident31 Ų3168.5 Ų68.519%0.18837%0.369CS..EExtended strand (participates in β ladder)trans-108.6128.8177.5-175.60000108.5E55 A56 F71 Y116 G120E55-V69 CarbonylContact C-O 3.52Å; E55-V69 WeakPolarHBondContact CA-O 3.3Å; A56-V69 PolarHBondContact N-O 2.85Å; A56-V69 PolarHBondContact O-N 2.77Å; V69-F71 HydrophobicContact CG1-CD1 4.34Å; V69-Y116 HydrophobicContact CB-CE2 4.43Å; V69-G120 VanDerWaalsContact CG1-CA 3.47Å
70K94.7Very high82Confident134 Ų13459.1 Ų59.158%0.58333%0.333SS*.EExtended strand (participates in β ladder)trans-100132.8174.5-52.5-159.5-173.8-144.30110I54 E55I54-K70 VanDerWaalsContact O-CA 3.31Å; I54-K70 WeakPolarHBondContact O-CA 3.32Å; E55-K70 HydrophobicContact CG-CD 4.44Å; E55-K70 HydrophobicContact CG-CG 4.11Å; E55-K70 WeakPolarHBondContact OE1-CE 3.5Å; E55-K70 IonicContact OE1-NZ 2.96Å; E55-K70 PolarHBondContact OE1-NZ 3.29Å
71F96.3Very high83.9Confident1 Ų156.1 Ų56.10%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-154.5154.8-178.956.8-80.6000112.7P53 I54 A56 V69 L108 C112 Y116 E119P53-F71 CarbonylContact C-O 3.5Å; P53-F71 WeakPolarHBondContact CA-O 3.41Å; P53-F71 VanDerWaalsContact CB-O 3.29Å; P53-F71 WeakPolarHBondContact CB-O 3.32Å; I54-F71 HydrophobicContact CD1-CE2 3.56Å; I54-F71 HydrophobicContact CD1-CZ 3.55Å; I54-F71 HydrophobicContact CG1-CD2 4.1Å; I54-F71 HydrophobicContact CG1-CE1 4.1Å; I54-F71 HydrophobicContact CG1-CE2 3.54Å; I54-F71 HydrophobicContact CG1-CZ 3.51Å; I54-F71 PolarHBondContact N-O 2.95Å; I54-F71 PolarHBondContact O-N 3.34Å; A56-F71 HydrophobicContact CB-CE1 3.5Å; A56-F71 HydrophobicContact CB-CZ 4.05Å; V69-F71 HydrophobicContact CG1-CD1 4.34Å; F71-L108 HydrophobicContact CE1-CD1 4.49Å; F71-L108 HydrophobicContact CE2-CD1 4.27Å; F71-L108 HydrophobicContact CZ-CD1 3.56Å; F71-C112 WeakPolarHBondContact CE2-O 3.49Å; F71-Y116 HydrophobicContact CD1-CD2 4.16Å; F71-Y116 AromaticContact CE1-CD2 3.84Å; F71-Y116 HydrophobicContact CE1-CD2 3.84Å; F71-Y116 HydrophobicContact CE1-CG 4.5Å; F71-Y116 HydrophobicContact CZ-CD2 4.24Å; F71-Y116 HydrophobicContact CZ-CG 4.47Å; F71-E119 HydrophobicContact CB-CB 3.7Å; F71-E119 HydrophobicContact CB-CG 4.49Å
72W97.7Very high86.3Confident68 Ų6846.5 Ų46.526%0.25827%0.27SS..  trans-89.6156.9166.2-61.590.8000111.3P48 L50 D51 H52 P53 G115 E119 L126P48-W72 HydrophobicContact CB-CE3 3.87Å; P48-W72 HydrophobicContact CB-CZ3 4.14Å; L50-W72 WeakPolarHBondContact O-CZ3 3.5Å; D51-W72 WeakPolarHBondContact O-CH2 3.09Å; H52-W72 VanDerWaalsContact CA-CH2 3.47Å; P53-W72 HydrophobicContact CB-CD2 4.2Å; P53-W72 HydrophobicContact CB-CG 4.3Å; P53-W72 HydrophobicContact CG-CZ2 4.49Å; W72-G115 WeakPolarHBondContact O-CA 3.36Å; W72-E119 PolarHBondContact N-OE2 2.97Å; W72-L126 HydrophobicContact CB-CB 4.23Å; W72-L126 HydrophobicContact CB-CD2 4.13Å
73F98Very high88.3Confident17 Ų1743 Ų438%0.07523%0.234CC..  trans-142.2148173.270.6-80.6000109.8P48 I54 D111 C112P48-F73 WeakPolarHBondContact CA-O 3.13Å; I54-F73 HydrophobicContact CD1-CD1 3.84Å; I54-F73 HydrophobicContact CD1-CE1 3.87Å; I54-F73 HydrophobicContact CG1-CD1 4.07Å; I54-F73 HydrophobicContact CG1-CE1 4.22Å; I54-F73 HydrophobicContact CG2-CD1 4.5Å; I54-F73 HydrophobicContact CG2-CE1 3.89Å; F73-D111 HydrophobicContact CD2-CB 4.36Å; F73-C112 WeakPolarHBondContact CE2-SG 3.46Å; F73-C112 VanDerWaalsContact CZ-SG 3.55Å
74A98.3Very high90.4Very high0 Ų042.1 Ų42.10%021%0.207CC..BIsolated β-bridgetrans-79.3135.8171.400000109.7Y44 R47 G76 F80 L126Y44-A74 HydrophobicContact CE2-CB 3.78Å; Y44-A74 WeakPolarHBondContact OH-CB 3.37Å; Y44-A74 PolarHBondContact OH-N 3.4Å; R47-A74 CarbonylContact O-C 3.47Å; R47-A74 VanDerWaalsContact O-CA 3.25Å; R47-A74 WeakPolarHBondContact O-CA 3.43Å; A74-G76 PolarHBondContact O-N 3.44Å; A74-F80 HydrophobicContact CB-CB 3.55Å; A74-F80 HydrophobicContact CB-CD1 4.49Å; A74-F80 HydrophobicContact CB-CG 4.22Å; A74-L126 HydrophobicContact CB-CD1 3.82Å; A74-L126 HydrophobicContact CB-CD2 4.48Å
75T97.6Very high92.6Very high8 Ų831.6 Ų31.65%0.04917%0.172CC..  trans-61.7121.6175.4-53.20000110.6R47 S49 G77 A78 G79 L136R47-T75 PolarHBondContact O-N 3.27Å; R47-T75 PolarHBondContact O-OG1 3.26Å; S49-T75 WeakPolarHBondContact CA-OG1 3.49Å; S49-T75 WeakPolarHBondContact CB-OG1 3.27Å; S49-T75 PolarHBondContact N-OG1 3.01Å; S49-T75 PolarHBondContact OG-OG1 3.04Å; T75-G77 PolarHBondContact O-N 3.34Å; T75-A78 HydrophobicContact CG2-CB 4.42Å; T75-A78 PolarHBondContact O-N 3.44Å; T75-A78 VanDerWaalsContact O-N 3.08Å; T75-G79 PolarHBondContact O-N 3.04Å; T75-L136 HydrophobicContact CG2-CD1 4.01Å
76G97.4Very high94.6Very high5 Ų527.2 Ų27.25%0.05215%0.145CC..G310 helixtrans-53.4-50.8179.800000112.8A74 A78 G79 D111A74-G76 PolarHBondContact O-N 3.44Å; G76-A78 PolarHBondContact O-N 3.37Å; G76-A78 VanDerWaalsContact O-N 3.16Å; G76-G79 WeakPolarHBondContact O-CA 3.18Å; G76-G79 PolarHBondContact O-N 3.21Å; G76-D111 PolarHBondContact N-OD2 3.32Å
77G96.8Very high96.1Very high8 Ų822.8 Ų22.88%0.08212%0.118CC..G310 helixtrans-74.41.4179.700000116.1D20 N23 T75 S134D20-G77 WeakPolarHBondContact OD2-CA 3.44Å; D20-G77 PolarHBondContact OD2-N 2.97Å; N23-G77 PolarHBondContact ND2-O 3.02Å; T75-G77 PolarHBondContact O-N 3.34Å; G77-S134 WeakPolarHBondContact O-CA 3.46Å
78A98.3Very high97.1Very high0 Ų024.2 Ų24.20%012%0.123CC..G310 helixtrans-91.8-14.6162.300000111.4R47 T75 G76 F132 T152R47-A78 HydrophobicContact CB-CB 4.22Å; T75-A78 HydrophobicContact CG2-CB 4.42Å; T75-A78 PolarHBondContact O-N 3.44Å; T75-A78 VanDerWaalsContact O-N 3.08Å; G76-A78 PolarHBondContact O-N 3.37Å; G76-A78 VanDerWaalsContact O-N 3.16Å; A78-F132 HydrophobicContact CB-CB 4.23Å; A78-T152 WeakPolarHBondContact O-CB 3.08Å; A78-T152 PolarHBondContact O-OG1 3.3Å
79G98.6Very high97.7Very high0 Ų025.4 Ų25.40%012%0.122CC..  trans76.2153.1-165.300000113.5H18 T75 G76 F132H18-G79 CarbonylContact O-C 3.59Å; H18-G79 WeakPolarHBondContact O-CA 3.44Å; T75-G79 PolarHBondContact O-N 3.04Å; G76-G79 WeakPolarHBondContact O-CA 3.18Å; G76-G79 PolarHBondContact O-N 3.21Å; G79-F132 VanDerWaalsContact O-CD1 3.26Å; G79-F132 WeakPolarHBondContact O-CD1 3.23Å
80F98.8Very high98.1Very high1 Ų124 Ų240%0.00411%0.113CC..EExtended strand (participates in β ladder)trans-150.2162.3176.666.2-97.4000111M1 F16 C17 H18 Y44 L45 A74 L82 V114M1-F80 HydrophobicContact CE-CE1 4.12Å; M1-F80 HydrophobicContact CE-CZ 3.79Å; M1-F80 HydrophobicContact SD-CZ 4.17Å; F16-F80 HydrophobicContact CD1-CE2 4.27Å; F16-F80 AromaticContact CE1-CE2 3.85Å; F16-F80 HydrophobicContact CE1-CE2 3.85Å; F16-F80 HydrophobicContact CE1-CZ 4.22Å; C17-F80 CarbonylContact C-O 3.5Å; C17-F80 WeakPolarHBondContact CA-O 3.35Å; H18-F80 HydrophobicContact CB-CD1 4.18Å; H18-F80 HydrophobicContact CB-CE1 3.69Å; H18-F80 HydrophobicContact CB-CE2 4.06Å; H18-F80 HydrophobicContact CB-CZ 3.62Å; H18-F80 AromaticContact CD2-CE1 3.5Å; H18-F80 AromaticContact CG-CE1 3.84Å; H18-F80 PolarHBondContact N-O 2.72Å; H18-F80 PolarHBondContact O-N 3.5Å; Y44-F80 HydrophobicContact CD2-CD2 4.41Å; Y44-F80 HydrophobicContact CE2-CB 4.03Å; Y44-F80 AromaticContact CE2-CD2 3.74Å; Y44-F80 HydrophobicContact CE2-CD2 3.74Å; Y44-F80 HydrophobicContact CE2-CE2 4.46Å; Y44-F80 HydrophobicContact CE2-CG 4.02Å; L45-F80 CarbonylContact O-C 3.56Å; L45-F80 VanDerWaalsContact O-CA 3.25Å; L45-F80 WeakPolarHBondContact O-CA 3.31Å; L45-F80 VanDerWaalsContact O-CB 3.32Å; L45-F80 WeakPolarHBondContact O-CB 3.44Å; A74-F80 HydrophobicContact CB-CB 3.55Å; A74-F80 HydrophobicContact CB-CD1 4.49Å; A74-F80 HydrophobicContact CB-CG 4.22Å; F80-L82 HydrophobicContact CD2-CG 4.32Å; F80-L82 HydrophobicContact CE2-CD1 4.11Å; F80-L82 HydrophobicContact CE2-CG 4.24Å; F80-V114 HydrophobicContact CE2-CG1 4.07Å; F80-V114 HydrophobicContact CE2-CG2 4.49Å; F80-V114 HydrophobicContact CZ-CG1 4.33Å; F80-V114 HydrophobicContact CZ-CG2 4.05Å
81C98.9Very high98.2Very high1 Ų119 Ų191%0.00710%0.096CC..EExtended strand (participates in β ladder)trans-130.4142.5177.3-60.80000113F16 C17 L34 Y44 L45F16-C81 CarbonylContact O-C 3.43Å; F16-C81 WeakPolarHBondContact O-CA 3.25Å; F16-C81 WeakPolarHBondContact O-CB 3.39Å; C17-C81 HydrophobicContact CB-CB 4.16Å; C17-C81 WeakPolarHBondContact CB-SG 3.45Å; C17-C81 WeakPolarHBondContact SG-CB 3.25Å; C17-C81 CovalentContact SG-SG 2.05Å; C17-C81 PolarHBondContact SG-SG 3.02Å; L34-C81 HydrophobicContact CD2-CB 4.09Å; Y44-C81 WeakPolarHBondContact CA-O 3.34Å; L45-C81 HydrophobicContact CB-CB 4.49Å; L45-C81 PolarHBondContact N-O 2.93Å; L45-C81 PolarHBondContact O-N 2.97Å
82L98.9Very high98.2Very high0 Ų023.1 Ų23.10%012%0.122CC..EExtended strand (participates in β ladder)trans-119.4133.7173.4-61.3168000109.5F16 V43 Y44 F80 L86 M90 V114 V118F16-L82 HydrophobicContact CB-CB 4.31Å; F16-L82 HydrophobicContact CD1-CB 4.3Å; F16-L82 HydrophobicContact CD1-CD1 3.89Å; F16-L82 HydrophobicContact CD1-CG 4.3Å; F16-L82 HydrophobicContact CE1-CD1 4.38Å; F16-L82 PolarHBondContact N-O 3.36Å; F16-L82 PolarHBondContact O-N 3.14Å; V43-L82 WeakPolarHBondContact O-CA 3.44Å; Y44-L82 HydrophobicContact CD2-CD2 3.38Å; Y44-L82 HydrophobicContact CD2-CG 4.3Å; Y44-L82 HydrophobicContact CE2-CD2 4.04Å; Y44-L82 HydrophobicContact CG-CD2 3.78Å; F80-L82 HydrophobicContact CD2-CG 4.32Å; F80-L82 HydrophobicContact CE2-CD1 4.11Å; F80-L82 HydrophobicContact CE2-CG 4.24Å; L82-L86 HydrophobicContact CD2-CD2 3.7Å; L82-L86 HydrophobicContact CD2-CG 4.4Å; L82-M90 HydrophobicContact CD1-CE 3.89Å; L82-M90 HydrophobicContact CD1-SD 3.75Å; L82-M90 HydrophobicContact CD2-SD 4.21Å; L82-V114 HydrophobicContact CD1-CG1 4.2Å; L82-V114 HydrophobicContact CD2-CG1 4.48Å; L82-V118 HydrophobicContact CD2-CG2 4.16Å
83S98.8Very high98.2Very high0 Ų024.1 Ų24.10%013%0.126CC..EExtended strand (participates in β ladder)trans-65.5151.4165.551.20000111.4Q41 V43 G85 L86 A87Q41-S83 WeakPolarHBondContact O-CB 3.3Å; Q41-S83 PolarHBondContact O-OG 3.29Å; V43-S83 PolarHBondContact N-OG 3.3Å; V43-S83 PolarHBondContact O-N 3.42Å; V43-S83 PolarHBondContact O-OG 2.92Å; V43-S83 VanDerWaalsContact O-OG 3.09Å; S83-G85 VanDerWaalsContact C-N 3.27Å; S83-G85 PolarHBondContact O-N 2.95Å; S83-L86 PolarHBondContact O-N 3.2Å; S83-L86 WeakPolarHBondContact OG-CB 3.47Å; S83-L86 PolarHBondContact OG-N 3.41Å; S83-A87 PolarHBondContact O-N 3.12Å
84R98.6Very high98.2Very high59 Ų5923.3 Ų23.322%0.22312%0.123CC..Hα-helixtrans-58.5-40174.5-173179.2-172.570.95.2112.1F8 I9 R13 K14 P39 L86 A87 L88F8-R84 HydrophobicContact CZ-CB 4.09Å; F8-R84 HydrophobicContact CZ-CG 4.34Å; I9-R84 PolarHBondContact O-NH1 2.91Å; I9-R84 PolarHBondContact O-NH2 2.97Å; I9-R84 VanDerWaalsContact O-NH2 3.08Å; R13-R84 VanDerWaalsContact O-CD 3.32Å; R13-R84 WeakPolarHBondContact O-CD 3.36Å; R13-R84 PolarHBondContact O-NH1 3.37Å; K14-R84 WeakPolarHBondContact O-CB 3.49Å; K14-R84 PolarHBondContact O-N 2.68Å; P39-R84 PolarHBondContact O-N 3.38Å; R84-L86 PolarHBondContact O-N 3.35Å; R84-A87 PolarHBondContact O-N 2.92Å; R84-L88 HydrophobicContact CG-CD1 3.97Å; R84-L88 HydrophobicContact CG-CG 4.22Å; R84-L88 WeakPolarHBondContact O-CG 3.28Å; R84-L88 PolarHBondContact O-N 3.33Å
85G98.5Very high98Very high15 Ų1524.1 Ų24.116%0.15513%0.128CC..Hα-helixtrans-56-49.3177.900000112.1P39 S83 K89P39-G85 PolarHBondContact O-N 2.97Å; S83-G85 VanDerWaalsContact C-N 3.27Å; S83-G85 PolarHBondContact O-N 2.95Å; G85-K89 PolarHBondContact O-N 2.97Å
86L98.8Very high97.7Very high0 Ų031.3 Ų31.30%017%0.165CC..Hα-helixtrans-64.7-47.6176.2-176.653.4000112.2D42 V43 L82 S83 R84 L88 K89 M90 V118 L122 A124D42-L86 HydrophobicContact CB-CD1 4.21Å; V43-L86 WeakPolarHBondContact O-CD2 3.19Å; L82-L86 HydrophobicContact CD2-CD2 3.7Å; L82-L86 HydrophobicContact CD2-CG 4.4Å; S83-L86 PolarHBondContact O-N 3.2Å; S83-L86 WeakPolarHBondContact OG-CB 3.47Å; S83-L86 PolarHBondContact OG-N 3.41Å; R84-L86 PolarHBondContact O-N 3.35Å; L86-L88 VanDerWaalsContact C-N 3.35Å; L86-L88 PolarHBondContact O-N 3.27Å; L86-K89 WeakPolarHBondContact O-CA 3.17Å; L86-K89 WeakPolarHBondContact O-CB 3.45Å; L86-K89 PolarHBondContact O-N 3.34Å; L86-M90 HydrophobicContact CG-CG 4.47Å; L86-M90 HydrophobicContact CG-SD 4.14Å; L86-M90 WeakPolarHBondContact O-CG 3.37Å; L86-M90 PolarHBondContact O-N 3.33Å; L86-V118 HydrophobicContact CD1-CG1 4.37Å; L86-V118 HydrophobicContact CD2-CG1 3.85Å; L86-V118 HydrophobicContact CD2-CG2 4.06Å; L86-V118 HydrophobicContact CG-CG2 4.4Å; L86-L122 HydrophobicContact CD1-CD1 3.94Å; L86-A124 HydrophobicContact CD1-CB 4.11Å
87A98.6Very high97.2Very high0 Ų032.4 Ų32.40%018%0.177CC..Hα-helixtrans-56.7-48.4179.300000110.8Y5 F8 I9 S83 R84 K89 M90 S91Y5-A87 HydrophobicContact CE2-CB 4.12Å; Y5-A87 VanDerWaalsContact OH-C 3.25Å; Y5-A87 PolarHBondContact OH-O 3.32Å; F8-A87 HydrophobicContact CD1-CB 4.21Å; F8-A87 HydrophobicContact CE1-CB 3.57Å; I9-A87 HydrophobicContact CD1-CB 4Å; S83-A87 PolarHBondContact O-N 3.12Å; R84-A87 PolarHBondContact O-N 2.92Å; A87-K89 PolarHBondContact O-N 3.31Å; A87-M90 WeakPolarHBondContact O-CA 3.34Å; A87-M90 WeakPolarHBondContact O-CB 3.25Å; A87-M90 PolarHBondContact O-N 3.22Å; A87-S91 PolarHBondContact O-N 3.24Å
88L98.4Very high97.2Very high86 Ų8634.1 Ų34.145%0.4519%0.187SC..Hα-helixtrans-56.2-30.4177.6-70.2169.7000113.8I9 R84 L86 S91I9-L88 HydrophobicContact CD1-CD2 4.2Å; R84-L88 HydrophobicContact CG-CD1 3.97Å; R84-L88 HydrophobicContact CG-CG 4.22Å; R84-L88 WeakPolarHBondContact O-CG 3.28Å; R84-L88 PolarHBondContact O-N 3.33Å; L86-L88 VanDerWaalsContact C-N 3.35Å; L86-L88 PolarHBondContact O-N 3.27Å; L88-S91 WeakPolarHBondContact O-CB 3.48Å; L88-S91 PolarHBondContact O-OG 2.89Å
89K98.6Very high97.1Very high99 Ų9934.2 Ų34.243%0.4319%0.188SC..Hα-helixtrans-75-29.3173.3-67.2172.9175170.50113.3D42 G85 L86 A87 S91 P92 L122D42-K89 WeakPolarHBondContact OD1-CD 3.45Å; D42-K89 WeakPolarHBondContact OD1-CE 3.08Å; D42-K89 IonicContact OD1-NZ 2.7Å; D42-K89 PolarHBondContact OD1-NZ 2.86Å; D42-K89 IonicContact OD2-NZ 2.67Å; D42-K89 PolarHBondContact OD2-NZ 3.36Å; G85-K89 PolarHBondContact O-N 2.97Å; L86-K89 WeakPolarHBondContact O-CA 3.17Å; L86-K89 WeakPolarHBondContact O-CB 3.45Å; L86-K89 PolarHBondContact O-N 3.34Å; A87-K89 PolarHBondContact O-N 3.31Å; K89-S91 VanDerWaalsContact C-N 3.26Å; K89-S91 PolarHBondContact O-N 2.74Å; K89-P92 VanDerWaalsContact O-CD 3.22Å; K89-P92 WeakPolarHBondContact O-CD 3.09Å; K89-L122 HydrophobicContact CB-CD1 3.96Å; K89-L122 HydrophobicContact CB-CD2 4.07Å
90M98.6Very high96.8Very high1 Ų139.5 Ų39.51%0.00521%0.214CC..Hα-helixtrans-73.1-17175.3-63.4168.262.100112.8Y5 L82 L86 A87 P92 W93 A94 V114 I117 V118 L122Y5-M90 HydrophobicContact CE2-CB 4.36Å; Y5-M90 HydrophobicContact CE2-CE 4.17Å; Y5-M90 HydrophobicContact CE2-SD 4.46Å; Y5-M90 WeakPolarHBondContact OH-CB 3.32Å; L82-M90 HydrophobicContact CD1-CE 3.89Å; L82-M90 HydrophobicContact CD1-SD 3.75Å; L82-M90 HydrophobicContact CD2-SD 4.21Å; L86-M90 HydrophobicContact CG-CG 4.47Å; L86-M90 HydrophobicContact CG-SD 4.14Å; L86-M90 WeakPolarHBondContact O-CG 3.37Å; L86-M90 PolarHBondContact O-N 3.33Å; A87-M90 WeakPolarHBondContact O-CA 3.34Å; A87-M90 WeakPolarHBondContact O-CB 3.25Å; A87-M90 PolarHBondContact O-N 3.22Å; M90-P92 VanDerWaalsContact C-N 3.34Å; M90-P92 WeakPolarHBondContact O-CD 3.07Å; M90-P92 VanDerWaalsContact O-N 3.12Å; M90-W93 PolarHBondContact O-N 2.76Å; M90-A94 HydrophobicContact CB-CB 4.18Å; M90-A94 WeakPolarHBondContact O-CB 3.41Å; M90-A94 PolarHBondContact O-N 3.47Å; M90-V114 HydrophobicContact CE-CG1 4.14Å; M90-I117 HydrophobicContact CB-CG2 3.92Å; M90-I117 HydrophobicContact CE-CB 4.5Å; M90-I117 HydrophobicContact CE-CG2 4.3Å; M90-I117 HydrophobicContact CG-CG2 3.8Å; M90-V118 HydrophobicContact CE-CG2 4Å; M90-V118 HydrophobicContact CG-CG2 4.26Å; M90-V118 HydrophobicContact SD-CG2 3.62Å; M90-L122 HydrophobicContact CB-CD1 4.35Å; M90-L122 HydrophobicContact CG-CD1 3.57Å
91S97Very high96.6Very high31 Ų3143 Ų4322%0.21724%0.239CC..Hα-helixtrans-48.1-39-174.9-72.90000116.3Y5 A87 L88 K89 W93 A94 S95Y5-S91 PolarHBondContact OH-N 3.23Å; A87-S91 PolarHBondContact O-N 3.24Å; L88-S91 WeakPolarHBondContact O-CB 3.48Å; L88-S91 PolarHBondContact O-OG 2.89Å; K89-S91 VanDerWaalsContact C-N 3.26Å; K89-S91 PolarHBondContact O-N 2.74Å; S91-W93 PolarHBondContact O-N 2.83Å; S91-W93 VanDerWaalsContact O-N 3.14Å; S91-A94 PolarHBondContact O-N 2.85Å; S91-S95 WeakPolarHBondContact O-CB 3.44Å; S91-S95 PolarHBondContact O-N 2.99Å
92P97.5Very high96.4Very high87 Ų8743.6 Ų43.657%0.56524%0.242SC*.Hα-helixtrans-59.5-23.8177-23.935.1000114.6K89 M90K89-P92 VanDerWaalsContact O-CD 3.22Å; K89-P92 WeakPolarHBondContact O-CD 3.09Å; M90-P92 VanDerWaalsContact C-N 3.34Å; M90-P92 WeakPolarHBondContact O-CD 3.07Å; M90-P92 VanDerWaalsContact O-N 3.12Å
93W97.7Very high96.2Very high89 Ų8944.1 Ų44.134%0.33725%0.247SC..Hα-helixtrans-112.8-14.9-179.5-58.9-83.4000113.4M90 S91 S98 F99 T102 I117 L121 L122M90-W93 PolarHBondContact O-N 2.76Å; S91-W93 PolarHBondContact O-N 2.83Å; S91-W93 VanDerWaalsContact O-N 3.14Å; W93-S98 CarbonylContact O-C 3.04Å; W93-S98 VanDerWaalsContact O-O 3.04Å; W93-F99 WeakPolarHBondContact O-CA 3.48Å; W93-F99 PolarHBondContact O-N 3.06Å; W93-F99 VanDerWaalsContact O-N 3.08Å; W93-T102 HydrophobicContact CB-CG2 4.39Å; W93-T102 PolarHBondContact O-OG1 2.9Å; W93-I117 HydrophobicContact CB-CD1 3.81Å; W93-I117 HydrophobicContact CB-CG1 3.92Å; W93-I117 HydrophobicContact CB-CG2 4.12Å; W93-I117 HydrophobicContact CE3-CG2 4.17Å; W93-L121 HydrophobicContact CD2-CD1 3.82Å; W93-L121 HydrophobicContact CG-CD1 3.78Å; W93-L121 HydrophobicContact CZ2-CB 4.49Å; W93-L121 HydrophobicContact CZ2-CD1 4.3Å; W93-L122 HydrophobicContact CH2-CD2 4.32Å; W93-L122 HydrophobicContact CZ3-CD2 3.79Å; W93-L122 HydrophobicContact CZ3-CG 4.34Å
94A96.9Very high95.9Very high0 Ų050.5 Ų50.50%028%0.277CS..Hα-helixtrans-119.7-22.2-169.700000114.9Y5 M90 S91 F99 I117Y5-A94 HydrophobicContact CD1-CB 3.94Å; Y5-A94 WeakPolarHBondContact CD1-O 3.37Å; Y5-A94 HydrophobicContact CD2-CB 4.18Å; Y5-A94 HydrophobicContact CE1-CB 3.61Å; Y5-A94 HydrophobicContact CE2-CB 3.84Å; Y5-A94 HydrophobicContact CG-CB 4.2Å; M90-A94 HydrophobicContact CB-CB 4.18Å; M90-A94 WeakPolarHBondContact O-CB 3.41Å; M90-A94 PolarHBondContact O-N 3.47Å; S91-A94 PolarHBondContact O-N 2.85Å; A94-F99 HydrophobicContact CB-CD2 4.04Å; A94-F99 WeakPolarHBondContact O-CB 3.47Å; A94-I117 HydrophobicContact CB-CD1 4.35Å
95S94.5Very high95.5Very high17 Ų1753.9 Ų53.912%0.11930%0.295CS..THydrogen-bonded Turntrans-96162.2-174.5-1580000112.7D6 S91 G97 S98D6-S95 WeakPolarHBondContact OD1-CA 3.34Å; D6-S95 WeakPolarHBondContact OD1-CB 3.44Å; D6-S95 PolarHBondContact OD1-OG 3.48Å; S91-S95 WeakPolarHBondContact O-CB 3.44Å; S91-S95 PolarHBondContact O-N 2.99Å; S95-G97 PolarHBondContact O-N 3.45Å; S95-S98 WeakPolarHBondContact O-CB 3.02Å; S95-S98 PolarHBondContact O-N 3.27Å; S95-S98 PolarHBondContact O-OG 2.86Å
96L91.7Very high95.2Very high158 Ų15854 Ų5483%0.82729%0.292SS*.THydrogen-bonded Turntrans56.537.5172.5-54.8176.6000112.9D6 S98D6-L96 PolarHBondContact OD1-N 3.07Å; D6-L96 PolarHBondContact OD2-N 3.31Å; D6-L96 VanDerWaalsContact OD2-N 3.12Å; L96-S98 VanDerWaalsContact C-N 3.27Å; L96-S98 PolarHBondContact O-N 2.96Å
97G87.8Confident94.9Very high28 Ų2863.8 Ų63.829%0.28933%0.329SS..THydrogen-bonded Turntrans81.5-8.3-177.500000115.4S95 F99 M100S95-G97 PolarHBondContact O-N 3.45Å; G97-F99 PolarHBondContact O-N 3.32Å; G97-F99 VanDerWaalsContact O-N 3.12Å; G97-M100 PolarHBondContact O-N 2.84Å; G97-M100 VanDerWaalsContact O-N 3.12Å
98S94.9Very high94.7Very high44 Ų4465.4 Ų65.431%0.30834%0.338SS..Hα-helixtrans-60-24.9179.2-65.80000113.3W93 S95 L96 M100 S101 T102W93-S98 CarbonylContact O-C 3.04Å; W93-S98 VanDerWaalsContact O-O 3.04Å; S95-S98 WeakPolarHBondContact O-CB 3.02Å; S95-S98 PolarHBondContact O-N 3.27Å; S95-S98 PolarHBondContact O-OG 2.86Å; L96-S98 VanDerWaalsContact C-N 3.27Å; L96-S98 PolarHBondContact O-N 2.96Å; S98-M100 VanDerWaalsContact C-N 3.28Å; S98-M100 PolarHBondContact O-N 3.19Å; S98-S101 PolarHBondContact O-N 3.17Å; S98-T102 PolarHBondContact O-N 2.92Å; S98-T102 PolarHBondContact O-OG1 3.39Å
99F96.3Very high94.6Very high2 Ų265.1 Ų65.11%0.00934%0.341CS..Hα-helixtrans-56.9-43.3176.1-169.3-90.4000112M1 W93 A94 G97 T102 A103 D110 T113 V114 I117M1-F99 HydrophobicContact CB-CD1 4.08Å; M1-F99 HydrophobicContact CB-CE1 3.6Å; M1-F99 HydrophobicContact CB-CZ 3.95Å; M1-F99 HydrophobicContact CG-CD1 4.14Å; M1-F99 HydrophobicContact CG-CD2 4.36Å; M1-F99 HydrophobicContact CG-CE1 3.59Å; M1-F99 HydrophobicContact CG-CE2 3.83Å; M1-F99 HydrophobicContact CG-CG 4.49Å; M1-F99 HydrophobicContact CG-CZ 3.41Å; M1-F99 VanDerWaalsContact CG-CZ 3.41Å; W93-F99 WeakPolarHBondContact O-CA 3.48Å; W93-F99 PolarHBondContact O-N 3.06Å; W93-F99 VanDerWaalsContact O-N 3.08Å; A94-F99 HydrophobicContact CB-CD2 4.04Å; A94-F99 WeakPolarHBondContact O-CB 3.47Å; G97-F99 PolarHBondContact O-N 3.32Å; G97-F99 VanDerWaalsContact O-N 3.12Å; F99-T102 PolarHBondContact O-N 3.17Å; F99-A103 WeakPolarHBondContact O-CB 3.49Å; F99-A103 PolarHBondContact O-N 2.76Å; F99-D110 HydrophobicContact CE1-CB 4.1Å; F99-D110 HydrophobicContact CZ-CB 4.27Å; F99-D110 WeakPolarHBondContact CZ-O 3.5Å; F99-T113 HydrophobicContact CD2-CG2 4.49Å; F99-T113 HydrophobicContact CE1-CG2 4.33Å; F99-T113 HydrophobicContact CE2-CG2 3.9Å; F99-T113 HydrophobicContact CZ-CG2 3.81Å; F99-V114 HydrophobicContact CE2-CG2 3.75Å; F99-V114 HydrophobicContact CZ-CG2 3.95Å; F99-I117 HydrophobicContact CD2-CD1 4.15Å; F99-I117 HydrophobicContact CE2-CD1 4.17Å
100M94.1Very high94.5Very high112 Ų11264 Ų6455%0.55234%0.34SS*.Hα-helixtrans-64.8-46.2-179.6-66177.662.200111G97 S98 T102 A103 E104G97-M100 PolarHBondContact O-N 2.84Å; G97-M100 VanDerWaalsContact O-N 3.12Å; S98-M100 VanDerWaalsContact C-N 3.28Å; S98-M100 PolarHBondContact O-N 3.19Å; M100-T102 VanDerWaalsContact C-N 3.31Å; M100-T102 PolarHBondContact O-N 2.84Å; M100-A103 PolarHBondContact O-N 3.35Å; M100-E104 WeakPolarHBondContact O-CB 3.41Å; M100-E104 WeakPolarHBondContact O-CG 3.37Å; M100-E104 PolarHBondContact O-N 2.85Å
101S94.3Very high94.4Very high75 Ų7565.4 Ų65.452%0.52435%0.347SS..Hα-helixtrans-61.9-39.4177-550000112.1S98 Q105S98-S101 PolarHBondContact O-N 3.17Å; S101-Q105 VanDerWaalsContact O-CB 3.3Å; S101-Q105 WeakPolarHBondContact O-CB 3.31Å; S101-Q105 PolarHBondContact O-N 2.74Å
102T94.4Very high94.5Very high12 Ų1264.4 Ų64.47%0.07434%0.34CS..Hα-helixtrans-63.4-50.4175.7-570000110.6W93 S98 F99 M100 E104 Q105 V106 T113 Y116 I117W93-T102 HydrophobicContact CB-CG2 4.39Å; W93-T102 PolarHBondContact O-OG1 2.9Å; S98-T102 PolarHBondContact O-N 2.92Å; S98-T102 PolarHBondContact O-OG1 3.39Å; F99-T102 PolarHBondContact O-N 3.17Å; M100-T102 VanDerWaalsContact C-N 3.31Å; M100-T102 PolarHBondContact O-N 2.84Å; T102-E104 VanDerWaalsContact C-N 3.35Å; T102-E104 PolarHBondContact O-N 3.47Å; T102-Q105 WeakPolarHBondContact O-CB 3.34Å; T102-Q105 PolarHBondContact O-N 2.8Å; T102-V106 WeakPolarHBondContact O-CG2 3.43Å; T102-V106 PolarHBondContact O-N 3.49Å; T102-V106 VanDerWaalsContact O-N 3.09Å; T102-T113 HydrophobicContact CG2-CG2 4.03Å; T102-Y116 HydrophobicContact CG2-CD1 4.34Å; T102-Y116 HydrophobicContact CG2-CE1 4.36Å; T102-I117 HydrophobicContact CG2-CD1 4.12Å; T102-I117 HydrophobicContact CG2-CG1 4.04Å
103A94.1Very high94.5Very high12 Ų1260.3 Ų60.310%0.09931%0.314CS..Hα-helixtrans-58.1-44.3178.600000112.3F99 M100 V106 R107 L108 T113F99-A103 WeakPolarHBondContact O-CB 3.49Å; F99-A103 PolarHBondContact O-N 2.76Å; M100-A103 PolarHBondContact O-N 3.35Å; A103-V106 PolarHBondContact O-N 3.09Å; A103-R107 VanDerWaalsContact O-CA 3.31Å; A103-R107 WeakPolarHBondContact O-CA 3.48Å; A103-R107 PolarHBondContact O-N 3.18Å; A103-L108 PolarHBondContact O-N 3.21Å; A103-T113 HydrophobicContact CB-CG2 3.96Å; A103-T113 WeakPolarHBondContact CB-OG1 3.38Å
104E92.8Very high94.5Very high134 Ų13456.1 Ų56.163%0.62630%0.298SS*.Hα-helixtrans-64.2-39.7176.4-74.4176.2179.600112.5M100 T102 R107M100-E104 WeakPolarHBondContact O-CB 3.41Å; M100-E104 WeakPolarHBondContact O-CG 3.37Å; M100-E104 PolarHBondContact O-N 2.85Å; T102-E104 VanDerWaalsContact C-N 3.35Å; T102-E104 PolarHBondContact O-N 3.47Å; E104-R107 WeakPolarHBondContact O-CG 3.42Å; E104-R107 PolarHBondContact O-N 3.42Å
105Q90.9Very high94.5Very high130 Ų13056.1 Ų56.161%0.60730%0.298SS*.Hα-helixtrans-63-46179-179.7-180-59.100111.5S101 T102S101-Q105 VanDerWaalsContact O-CB 3.3Å; S101-Q105 WeakPolarHBondContact O-CB 3.31Å; S101-Q105 PolarHBondContact O-N 2.74Å; T102-Q105 WeakPolarHBondContact O-CB 3.34Å; T102-Q105 PolarHBondContact O-N 2.8Å
106V91.5Very high94.7Very high16 Ų1655.5 Ų55.510%0.09729%0.293CS..Hα-helixtrans-87.6-11.6-179-59.40000113.6T102 A103 L108 Y116T102-V106 WeakPolarHBondContact O-CG2 3.43Å; T102-V106 PolarHBondContact O-N 3.49Å; T102-V106 VanDerWaalsContact O-N 3.09Å; A103-V106 PolarHBondContact O-N 3.09Å; V106-L108 VanDerWaalsContact C-N 3.32Å; V106-L108 HydrophobicContact CB-CD1 4.09Å; V106-L108 HydrophobicContact CB-CG 4.17Å; V106-L108 HydrophobicContact CG2-CB 3.82Å; V106-L108 HydrophobicContact CG2-CD1 3.66Å; V106-L108 HydrophobicContact CG2-CG 3.72Å; V106-L108 PolarHBondContact O-N 2.85Å; V106-Y116 HydrophobicContact CG1-CD1 3.84Å; V106-Y116 HydrophobicContact CG1-CE1 3.45Å; V106-Y116 VanDerWaalsContact CG1-CE1 3.45Å; V106-Y116 HydrophobicContact CG1-CE2 4.28Å; V106-Y116 HydrophobicContact CG1-CG 4.38Å; V106-Y116 HydrophobicContact CG2-CD1 4.43Å
107R93.1Very high95Very high206 Ų20648 Ų4878%0.77725%0.254SS*.THydrogen-bonded Turntrans56.743.6-179-54.6178.7177.3-156.5-5.7112.7A103 E104A103-R107 VanDerWaalsContact O-CA 3.31Å; A103-R107 WeakPolarHBondContact O-CA 3.48Å; A103-R107 PolarHBondContact O-N 3.18Å; E104-R107 WeakPolarHBondContact O-CG 3.42Å; E104-R107 PolarHBondContact O-N 3.42Å
108L93.3Very high95.5Very high34 Ų3446.6 Ų46.618%0.17824%0.24CC..  trans-113.8152.4179.1-65.2174.6000110.8I54 A56 F71 A103 V106 C112 T113I54-L108 HydrophobicContact CD1-CD2 4.31Å; A56-L108 HydrophobicContact CB-CD1 4.22Å; F71-L108 HydrophobicContact CE1-CD1 4.49Å; F71-L108 HydrophobicContact CE2-CD1 4.27Å; F71-L108 HydrophobicContact CZ-CD1 3.56Å; A103-L108 PolarHBondContact O-N 3.21Å; V106-L108 VanDerWaalsContact C-N 3.32Å; V106-L108 HydrophobicContact CB-CD1 4.09Å; V106-L108 HydrophobicContact CB-CG 4.17Å; V106-L108 HydrophobicContact CG2-CB 3.82Å; V106-L108 HydrophobicContact CG2-CD1 3.66Å; V106-L108 HydrophobicContact CG2-CG 3.72Å; V106-L108 PolarHBondContact O-N 2.85Å; L108-C112 HydrophobicContact CB-CB 3.74Å; L108-C112 HydrophobicContact CD1-CB 4.19Å; L108-C112 HydrophobicContact CD2-CB 4.31Å; L108-C112 HydrophobicContact CG-CB 4.31Å; L108-T113 PolarHBondContact O-OG1 3.17Å
109P95.9Very high95.6Very high81 Ų8146.1 Ų46.153%0.52623%0.233SC..  trans-57.4166.2165.6-22.433.5000112.7D111 C112 T113P109-D111 PolarHBondContact O-N 2.84Å; P109-C112 PolarHBondContact O-N 3.22Å; P109-T113 WeakPolarHBondContact O-CB 3.27Å; P109-T113 PolarHBondContact O-N 3.38Å; P109-T113 PolarHBondContact O-OG1 2.89Å
110D97.3Very high95.5Very high74 Ų7447.1 Ų47.140%0.39624%0.243SC..Hα-helixtrans-57.1-46.8-176.7-795.7000112.5M1 F99 T113 V114M1-D110 HydrophobicContact CB-CB 3.91Å; M1-D110 WeakPolarHBondContact CB-OD2 3.26Å; M1-D110 HydrophobicContact CG-CB 4.43Å; M1-D110 PolarHBondContact N-OD2 2.9Å; F99-D110 HydrophobicContact CE1-CB 4.1Å; F99-D110 HydrophobicContact CZ-CB 4.27Å; F99-D110 WeakPolarHBondContact CZ-O 3.5Å; D110-T113 WeakPolarHBondContact O-CB 3.21Å; D110-T113 PolarHBondContact O-N 3.16Å; D110-V114 WeakPolarHBondContact O-CG2 3.37Å; D110-V114 PolarHBondContact O-N 3.43Å
111D97.6Very high95.6Very high31 Ų3144.2 Ų44.217%0.16623%0.23CC..Hα-helixtrans-65.8-42.4-178.563.7-12.3000112.9F73 G76 P109 T113 V114 G115F73-D111 HydrophobicContact CD2-CB 4.36Å; G76-D111 PolarHBondContact N-OD2 3.32Å; P109-D111 PolarHBondContact O-N 2.84Å; D111-T113 VanDerWaalsContact C-N 3.32Å; D111-T113 PolarHBondContact O-N 3.43Å; D111-V114 PolarHBondContact O-N 2.82Å; D111-G115 PolarHBondContact O-N 3.26Å; D111-G115 VanDerWaalsContact O-N 3.07Å
112C97.3Very high95.7Very high11 Ų1143.1 Ų43.17%0.07422%0.218CC..Hα-helixtrans-62.3-39.4171.9-65.40000111.3I54 F71 F73 L108 P109 G115 Y116I54-C112 HydrophobicContact CD1-CB 4.1Å; F71-C112 WeakPolarHBondContact CE2-O 3.49Å; F73-C112 WeakPolarHBondContact CE2-SG 3.46Å; F73-C112 VanDerWaalsContact CZ-SG 3.55Å; L108-C112 HydrophobicContact CB-CB 3.74Å; L108-C112 HydrophobicContact CD1-CB 4.19Å; L108-C112 HydrophobicContact CD2-CB 4.31Å; L108-C112 HydrophobicContact CG-CB 4.31Å; P109-C112 PolarHBondContact O-N 3.22Å; C112-G115 PolarHBondContact O-N 3.23Å; C112-Y116 WeakPolarHBondContact O-CB 3.48Å; C112-Y116 PolarHBondContact O-N 3.35Å
113T97.6Very high95.8Very high0 Ų045.4 Ų45.40%024%0.244CC..Hα-helixtrans-65.3-39.8177-59.90000111.4F99 T102 A103 L108 P109 D110 D111 Y116 I117F99-T113 HydrophobicContact CD2-CG2 4.49Å; F99-T113 HydrophobicContact CE1-CG2 4.33Å; F99-T113 HydrophobicContact CE2-CG2 3.9Å; F99-T113 HydrophobicContact CZ-CG2 3.81Å; T102-T113 HydrophobicContact CG2-CG2 4.03Å; A103-T113 HydrophobicContact CB-CG2 3.96Å; A103-T113 WeakPolarHBondContact CB-OG1 3.38Å; L108-T113 PolarHBondContact O-OG1 3.17Å; P109-T113 WeakPolarHBondContact O-CB 3.27Å; P109-T113 PolarHBondContact O-N 3.38Å; P109-T113 PolarHBondContact O-OG1 2.89Å; D110-T113 WeakPolarHBondContact O-CB 3.21Å; D110-T113 PolarHBondContact O-N 3.16Å; D111-T113 VanDerWaalsContact C-N 3.32Å; D111-T113 PolarHBondContact O-N 3.43Å; T113-Y116 PolarHBondContact O-N 3.22Å; T113-I117 HydrophobicContact CG2-CD1 4.12Å; T113-I117 VanDerWaalsContact O-CG1 3.31Å; T113-I117 WeakPolarHBondContact O-CG1 3.21Å; T113-I117 PolarHBondContact O-N 2.79Å
114V98.3Very high95.9Very high2 Ų245.5 Ų45.51%0.01225%0.245CC..Hα-helixtrans-59.2-48.3171.7172.50000110.6M1 Y44 F80 L82 M90 F99 D110 D111 Y116 I117 V118M1-V114 HydrophobicContact CG-CG2 4.36Å; M1-V114 HydrophobicContact SD-CG2 4.45Å; Y44-V114 HydrophobicContact CE2-CG1 4.06Å; F80-V114 HydrophobicContact CE2-CG1 4.07Å; F80-V114 HydrophobicContact CE2-CG2 4.49Å; F80-V114 HydrophobicContact CZ-CG1 4.33Å; F80-V114 HydrophobicContact CZ-CG2 4.05Å; L82-V114 HydrophobicContact CD1-CG1 4.2Å; L82-V114 HydrophobicContact CD2-CG1 4.48Å; M90-V114 HydrophobicContact CE-CG1 4.14Å; F99-V114 HydrophobicContact CE2-CG2 3.75Å; F99-V114 HydrophobicContact CZ-CG2 3.95Å; D110-V114 WeakPolarHBondContact O-CG2 3.37Å; D110-V114 PolarHBondContact O-N 3.43Å; D111-V114 PolarHBondContact O-N 2.82Å; V114-Y116 VanDerWaalsContact C-N 3.34Å; V114-Y116 PolarHBondContact O-N 3.15Å; V114-I117 PolarHBondContact O-N 3.16Å; V114-V118 HydrophobicContact CG1-CG2 4.29Å; V114-V118 WeakPolarHBondContact O-CB 3.35Å; V114-V118 VanDerWaalsContact O-CG2 3.27Å; V114-V118 WeakPolarHBondContact O-CG2 3.26Å; V114-V118 PolarHBondContact O-N 3.06Å
115G97.9Very high96.2Very high0 Ų048.5 Ų48.50%025%0.25CS..Hα-helixtrans-59.5-42.217600000113.3W72 D111 C112 V118 E119W72-G115 WeakPolarHBondContact O-CA 3.36Å; D111-G115 PolarHBondContact O-N 3.26Å; D111-G115 VanDerWaalsContact O-N 3.07Å; C112-G115 PolarHBondContact O-N 3.23Å; G115-V118 PolarHBondContact O-N 3.36Å; G115-E119 PolarHBondContact O-N 2.87Å
116Y97.3Very high96.5Very high3 Ų342.7 Ų42.71%0.01222%0.223CC..Iπ-helixtrans-60.9-46.1176.3172-105.8000112.1A56 V69 F71 T102 V106 C112 T113 V114 G120 L121A56-Y116 HydrophobicContact CB-CD2 3.9Å; A56-Y116 HydrophobicContact CB-CE2 4.05Å; V69-Y116 HydrophobicContact CB-CE2 4.43Å; F71-Y116 HydrophobicContact CD1-CD2 4.16Å; F71-Y116 AromaticContact CE1-CD2 3.84Å; F71-Y116 HydrophobicContact CE1-CD2 3.84Å; F71-Y116 HydrophobicContact CE1-CG 4.5Å; F71-Y116 HydrophobicContact CZ-CD2 4.24Å; F71-Y116 HydrophobicContact CZ-CG 4.47Å; T102-Y116 HydrophobicContact CG2-CD1 4.34Å; T102-Y116 HydrophobicContact CG2-CE1 4.36Å; V106-Y116 HydrophobicContact CG1-CD1 3.84Å; V106-Y116 HydrophobicContact CG1-CE1 3.45Å; V106-Y116 VanDerWaalsContact CG1-CE1 3.45Å; V106-Y116 HydrophobicContact CG1-CE2 4.28Å; V106-Y116 HydrophobicContact CG1-CG 4.38Å; V106-Y116 HydrophobicContact CG2-CD1 4.43Å; C112-Y116 WeakPolarHBondContact O-CB 3.48Å; C112-Y116 PolarHBondContact O-N 3.35Å; T113-Y116 PolarHBondContact O-N 3.22Å; V114-Y116 VanDerWaalsContact C-N 3.34Å; V114-Y116 PolarHBondContact O-N 3.15Å; Y116-G120 CarbonylContact O-C 3.57Å; Y116-G120 WeakPolarHBondContact O-CA 3.25Å; Y116-G120 PolarHBondContact O-N 2.56Å; Y116-L121 HydrophobicContact CD1-CD1 4.21Å; Y116-L121 HydrophobicContact CD1-CG 4.35Å; Y116-L121 HydrophobicContact CE1-CD1 3.67Å; Y116-L121 HydrophobicContact CE1-CD2 4.09Å; Y116-L121 HydrophobicContact CE1-CG 3.83Å; Y116-L121 HydrophobicContact CE2-CD2 4.46Å; Y116-L121 PolarHBondContact O-N 3.11Å
117I98Very high96.8Very high0 Ų045.1 Ų45.10%024%0.236CC..Iπ-helixtrans-63.8-46.7177.2-62.9165.9000110.1M90 W93 A94 F99 T102 T113 V114 L121 L122M90-I117 HydrophobicContact CB-CG2 3.92Å; M90-I117 HydrophobicContact CE-CB 4.5Å; M90-I117 HydrophobicContact CE-CG2 4.3Å; M90-I117 HydrophobicContact CG-CG2 3.8Å; W93-I117 HydrophobicContact CB-CD1 3.81Å; W93-I117 HydrophobicContact CB-CG1 3.92Å; W93-I117 HydrophobicContact CB-CG2 4.12Å; W93-I117 HydrophobicContact CE3-CG2 4.17Å; A94-I117 HydrophobicContact CB-CD1 4.35Å; F99-I117 HydrophobicContact CD2-CD1 4.15Å; F99-I117 HydrophobicContact CE2-CD1 4.17Å; T102-I117 HydrophobicContact CG2-CD1 4.12Å; T102-I117 HydrophobicContact CG2-CG1 4.04Å; T113-I117 HydrophobicContact CG2-CD1 4.12Å; T113-I117 VanDerWaalsContact O-CG1 3.31Å; T113-I117 WeakPolarHBondContact O-CG1 3.21Å; T113-I117 PolarHBondContact O-N 2.79Å; V114-I117 PolarHBondContact O-N 3.16Å; I117-L121 HydrophobicContact CG1-CD1 4.38Å; I117-L121 WeakPolarHBondContact O-CB 3.27Å; I117-L121 PolarHBondContact O-N 2.83Å; I117-L122 HydrophobicContact CG2-CD1 4.32Å; I117-L122 WeakPolarHBondContact O-CG 3.29Å; I117-L122 PolarHBondContact O-N 3.37Å
118V98.3Very high97Very high0 Ų040.2 Ų40.20%022%0.221CC..Iπ-helixtrans-70-53-173.7173.10000112.7Y44 L82 L86 M90 V114 G115 L122 G123 A124Y44-V118 HydrophobicContact CD1-CB 4.04Å; Y44-V118 HydrophobicContact CD1-CG1 3.61Å; Y44-V118 HydrophobicContact CD1-CG2 4.29Å; Y44-V118 HydrophobicContact CE1-CB 4.36Å; Y44-V118 HydrophobicContact CE1-CG1 4.38Å; Y44-V118 HydrophobicContact CG-CG1 4.12Å; L82-V118 HydrophobicContact CD2-CG2 4.16Å; L86-V118 HydrophobicContact CD1-CG1 4.37Å; L86-V118 HydrophobicContact CD2-CG1 3.85Å; L86-V118 HydrophobicContact CD2-CG2 4.06Å; L86-V118 HydrophobicContact CG-CG2 4.4Å; M90-V118 HydrophobicContact CE-CG2 4Å; M90-V118 HydrophobicContact CG-CG2 4.26Å; M90-V118 HydrophobicContact SD-CG2 3.62Å; V114-V118 HydrophobicContact CG1-CG2 4.29Å; V114-V118 WeakPolarHBondContact O-CB 3.35Å; V114-V118 VanDerWaalsContact O-CG2 3.27Å; V114-V118 WeakPolarHBondContact O-CG2 3.26Å; V114-V118 PolarHBondContact O-N 3.06Å; G115-V118 PolarHBondContact O-N 3.36Å; V118-L122 WeakPolarHBondContact O-CB 3.44Å; V118-G123 PolarHBondContact O-N 3.15Å; V118-A124 HydrophobicContact CG1-CB 3.83Å; V118-A124 PolarHBondContact O-N 3.03Å
119E97.2Very high97.2Very high33 Ų3339.1 Ų39.115%0.15422%0.216CC..Iπ-helixtrans-90.6-42.8-177.7-60.7-148.5158.500112.3F71 W72 G115 G123 A124 R125 L126F71-E119 HydrophobicContact CB-CB 3.7Å; F71-E119 HydrophobicContact CB-CG 4.49Å; W72-E119 PolarHBondContact N-OE2 2.97Å; G115-E119 PolarHBondContact O-N 2.87Å; E119-G123 WeakPolarHBondContact O-CA 3.34Å; E119-G123 PolarHBondContact O-N 3.01Å; E119-A124 VanDerWaalsContact CA-O 3.32Å; E119-A124 WeakPolarHBondContact CA-O 3.31Å; E119-A124 WeakPolarHBondContact CG-O 2.99Å; E119-R125 WeakPolarHBondContact OE1-CA 3.21Å; E119-L126 PolarHBondContact OE1-N 2.89Å
120G94.4Very high97.3Very high23 Ų2339.9 Ų39.924%0.23722%0.221CC..Iπ-helixtrans-73.8-40.1-173.300000114V69 Y116V69-G120 VanDerWaalsContact CG1-CA 3.47Å; Y116-G120 CarbonylContact O-C 3.57Å; Y116-G120 WeakPolarHBondContact O-CA 3.25Å; Y116-G120 PolarHBondContact O-N 2.56Å
121L95.4Very high97.3Very high52 Ų5238.5 Ų38.527%0.27221%0.214SC..Iπ-helixtrans-99.6-43.5-178.4-59.4-179.9000113W93 Y116 I117W93-L121 HydrophobicContact CD2-CD1 3.82Å; W93-L121 HydrophobicContact CG-CD1 3.78Å; W93-L121 HydrophobicContact CZ2-CB 4.49Å; W93-L121 HydrophobicContact CZ2-CD1 4.3Å; Y116-L121 HydrophobicContact CD1-CD1 4.21Å; Y116-L121 HydrophobicContact CD1-CG 4.35Å; Y116-L121 HydrophobicContact CE1-CD1 3.67Å; Y116-L121 HydrophobicContact CE1-CD2 4.09Å; Y116-L121 HydrophobicContact CE1-CG 3.83Å; Y116-L121 HydrophobicContact CE2-CD2 4.46Å; Y116-L121 PolarHBondContact O-N 3.11Å; I117-L121 HydrophobicContact CG1-CD1 4.38Å; I117-L121 WeakPolarHBondContact O-CB 3.27Å; I117-L121 PolarHBondContact O-N 2.83Å
122L97.2Very high97.4Very high51 Ų5137.2 Ų37.227%0.26721%0.206SC..THydrogen-bonded Turntrans-90.9-15.4-176.1-67.4174000113.9L86 K89 M90 W93 I117 V118 A124L86-L122 HydrophobicContact CD1-CD1 3.94Å; K89-L122 HydrophobicContact CB-CD1 3.96Å; K89-L122 HydrophobicContact CB-CD2 4.07Å; M90-L122 HydrophobicContact CB-CD1 4.35Å; M90-L122 HydrophobicContact CG-CD1 3.57Å; W93-L122 HydrophobicContact CH2-CD2 4.32Å; W93-L122 HydrophobicContact CZ3-CD2 3.79Å; W93-L122 HydrophobicContact CZ3-CG 4.34Å; I117-L122 HydrophobicContact CG2-CD1 4.32Å; I117-L122 WeakPolarHBondContact O-CG 3.29Å; I117-L122 PolarHBondContact O-N 3.37Å; V118-L122 WeakPolarHBondContact O-CB 3.44Å; L122-A124 PolarHBondContact O-N 2.93Å
123G96.3Very high97.4Very high60 Ų6037 Ų3762%0.61920%0.204SC*.  trans6911.5-179.400000114.7V118 E119V118-G123 PolarHBondContact O-N 3.15Å; E119-G123 WeakPolarHBondContact O-CA 3.34Å; E119-G123 PolarHBondContact O-N 3.01Å
124A97.6Very high97.4Very high14 Ų1437.1 Ų37.112%0.11621%0.205CC..  trans-73.1177.7168.700000109.8D42 L86 V118 E119 L122D42-A124 HydrophobicContact CB-CB 4.18Å; L86-A124 HydrophobicContact CD1-CB 4.11Å; V118-A124 HydrophobicContact CG1-CB 3.83Å; V118-A124 PolarHBondContact O-N 3.03Å; E119-A124 VanDerWaalsContact CA-O 3.32Å; E119-A124 WeakPolarHBondContact CA-O 3.31Å; E119-A124 WeakPolarHBondContact CG-O 2.99Å; L122-A124 PolarHBondContact O-N 2.93Å
125R97.2Very high97.3Very high197 Ų19739.7 Ų39.774%0.74322%0.217SC*.  trans-130.4144.9-178.8-63.8-173.3-174-169.21112E119 L127E119-R125 WeakPolarHBondContact OE1-CA 3.21Å; R125-L127 PolarHBondContact O-N 2.82Å
126L98.4Very high97.2Very high9 Ų945.6 Ų45.65%0.04725%0.248CC..EExtended strand (participates in β ladder)trans-64.2121.9163.4178.563.1000108.9Y44 P48 W72 A74 E119 H128Y44-L126 HydrophobicContact CD1-CB 3.93Å; Y44-L126 HydrophobicContact CD1-CD1 3.71Å; Y44-L126 HydrophobicContact CD1-CG 4.42Å; Y44-L126 HydrophobicContact CD2-CD1 4.11Å; Y44-L126 HydrophobicContact CE1-CB 4.19Å; Y44-L126 HydrophobicContact CE1-CD1 3.78Å; Y44-L126 HydrophobicContact CE1-CG 4.48Å; Y44-L126 HydrophobicContact CE2-CD1 4.14Å; Y44-L126 HydrophobicContact CG-CD1 3.92Å; P48-L126 HydrophobicContact CB-CD2 4.14Å; W72-L126 HydrophobicContact CB-CB 4.23Å; W72-L126 HydrophobicContact CB-CD2 4.13Å; A74-L126 HydrophobicContact CB-CD1 3.82Å; A74-L126 HydrophobicContact CB-CD2 4.48Å; E119-L126 PolarHBondContact OE1-N 2.89Å; L126-H128 PolarHBondContact O-CD2 3.48Å
127L98.3Very high97.1Very high67 Ų6747.1 Ų47.135%0.35126%0.255SS..EExtended strand (participates in β ladder)trans-89.1106.3169.3-58.4-174.8000108.1F37 V43 Y44 L45 G46 R125 S129F37-L127 HydrophobicContact CD1-CD1 4.36Å; F37-L127 HydrophobicContact CE1-CD1 3.68Å; F37-L127 HydrophobicContact CZ-CD1 4.22Å; V43-L127 HydrophobicContact CG1-CD1 4.14Å; Y44-L127 WeakPolarHBondContact O-CB 3.34Å; Y44-L127 PolarHBondContact O-N 2.77Å; L45-L127 HydrophobicContact CD2-CB 3.65Å; L45-L127 HydrophobicContact CD2-CD1 4.28Å; L45-L127 HydrophobicContact CG-CB 4.4Å; G46-L127 PolarHBondContact N-O 3.49Å; R125-L127 PolarHBondContact O-N 2.82Å; L127-S129 PolarHBondContact O-N 3.04Å
128H96.9Very high97Very high103 Ų10350.4 Ų50.448%0.47727%0.273SS..EExtended strand (participates in β ladder)trans-65.3124.8-177.7-65.5-163.7000109.7G46 L126G46-H128 WeakPolarHBondContact O-CA 3.46Å; L126-H128 PolarHBondContact O-CD2 3.48Å
129S97.7Very high97Very high10 Ų1050.4 Ų50.47%0.0727%0.273CS..  trans-122.5123.2175.81750000110.3G46 L127 L131 F132G46-S129 PolarHBondContact O-N 3.16Å; L127-S129 PolarHBondContact O-N 3.04Å; S129-L131 PolarHBondContact O-N 3.08Å; S129-L131 PolarHBondContact OG-N 3.38Å; S129-F132 WeakPolarHBondContact OG-CD2 3.38Å
130P96.8Very high96.9Very high97 Ų9754 Ų5463%0.6329%0.29SS*.THydrogen-bonded Turntrans-76.34177.834.7-37.2000112.8H133 Q150P130-H133 PolarHBondContact O-CE1 3.16Å; P130-H133 PolarHBondContact O-NE2 3.28Å; P130-Q150 PolarHBondContact O-OE1 3.26Å
131L98.4Very high96.9Very high46 Ų4662.5 Ų62.524%0.24132%0.315CS..THydrogen-bonded Turntrans-90.7-6.6-177.2-57.9177.7000113.4L33 S129 V151 T152L33-L131 HydrophobicContact CD1-CD1 4.38Å; L33-L131 HydrophobicContact CD2-CD1 4.38Å; S129-L131 PolarHBondContact O-N 3.08Å; S129-L131 PolarHBondContact OG-N 3.38Å; L131-V151 HydrophobicContact CB-CB 4Å; L131-V151 HydrophobicContact CB-CG2 3.67Å; L131-V151 HydrophobicContact CD1-CG2 3.97Å; L131-V151 HydrophobicContact CG-CG2 4.46Å; L131-V151 WeakPolarHBondContact O-CA 3.21Å; L131-V151 WeakPolarHBondContact O-CB 3.45Å; L131-V151 PolarHBondContact O-N 2.67Å; L131-T152 PolarHBondContact O-N 3.43Å
132F98.6Very high96.9Very high3 Ų361 Ų611%0.01331%0.307CS..  trans-103.5131.2178.2-64.9-97000109.8L33 R47 A78 G79 S129 V151 T152L33-F132 HydrophobicContact CD2-CE2 3.58Å; L33-F132 HydrophobicContact CD2-CZ 3.98Å; R47-F132 HydrophobicContact CB-CB 4.21Å; R47-F132 WeakPolarHBondContact CD-O 3.5Å; R47-F132 PolarHBondContact NH1-O 3.16Å; R47-F132 VanDerWaalsContact NH1-O 3.11Å; A78-F132 HydrophobicContact CB-CB 4.23Å; G79-F132 VanDerWaalsContact O-CD1 3.26Å; G79-F132 WeakPolarHBondContact O-CD1 3.23Å; S129-F132 WeakPolarHBondContact OG-CD2 3.38Å; F132-V151 HydrophobicContact CD1-CG1 4.11Å; F132-V151 HydrophobicContact CE1-CB 4.41Å; F132-V151 HydrophobicContact CE1-CG1 3.59Å; F132-V151 HydrophobicContact CE2-CG1 4.37Å; F132-V151 HydrophobicContact CZ-CB 4.41Å; F132-V151 HydrophobicContact CZ-CG1 3.74Å; F132-T152 WeakPolarHBondContact CA-OG1 3.12Å; F132-T152 HydrophobicContact CD1-CG2 3.86Å; F132-T152 HydrophobicContact CE1-CG2 4.27Å
133H98.3Very high96.8Very high7 Ų761.9 Ų61.93%0.03232%0.316CS..  trans-133.8130.2-173.7-59.5-80.2000113.1R47 P130 E137 L139 L142 Q150 T152 L153R47-H133 PolarHBondContact NH1-CE1 2.91Å; R47-H133 PolarHBondContact NH1-ND1 3.31Å; P130-H133 PolarHBondContact O-CE1 3.16Å; P130-H133 PolarHBondContact O-NE2 3.28Å; H133-E137 WeakPolarHBondContact CA-OE1 3.33Å; H133-E137 IonicContact ND1-OE1 3.88Å; H133-E137 IonicContact ND1-OE2 2.76Å; H133-E137 PolarHBondContact ND1-OE2 3.37Å; H133-L139 HydrophobicContact CB-CD2 4.09Å; H133-L142 HydrophobicContact CB-CD1 4.2Å; H133-L142 VanDerWaalsContact CE1-CD2 3.49Å; H133-L142 WeakPolarHBondContact CE1-CD2 3.11Å; H133-L142 WeakPolarHBondContact ND1-CD2 3.38Å; H133-Q150 PolarHBondContact NE2-OE1 3.28Å; H133-T152 PolarHBondContact CD2-O 2.98Å; H133-T152 VanDerWaalsContact CD2-O 3.3Å; H133-T152 PolarHBondContact N-O 2.03Å; H133-T152 PolarHBondContact N-OG1 3.24Å; H133-T152 VanDerWaalsContact N-OG1 3.11Å; H133-L153 HydrophobicContact CB-CD2 4.4Å
134S97.5Very high96.4Very high3 Ų362.3 Ų62.32%0.02131%0.308CS..  trans-108.4155.5176.6171.70000111.4G77 L136 E137G77-S134 WeakPolarHBondContact O-CA 3.46Å; S134-L136 PolarHBondContact O-N 3.48Å; S134-L136 VanDerWaalsContact O-N 3.13Å; S134-L136 WeakPolarHBondContact OG-CG 3.33Å; S134-L136 PolarHBondContact OG-N 3.34Å; S134-L136 VanDerWaalsContact OG-N 3.08Å; S134-E137 PolarHBondContact N-OE1 3.39Å; S134-E137 WeakPolarHBondContact O-CB 3.45Å; S134-E137 PolarHBondContact O-N 2.96Å
135H96.3Very high96.1Very high55 Ų5569 Ų6926%0.25534%0.341SS..THydrogen-bonded Turntrans-66.6-2.3168.165.8-116.2000114.3D22 L139 S154 Y155 N163D22-H135 IonicContact OD2-CE1 2.75Å; D22-H135 PolarHBondContact OD2-CE1 3.25Å; D22-H135 IonicContact OD2-ND1 3.36Å; D22-H135 PolarHBondContact OD2-ND1 3.48Å; H135-L139 HydrophobicContact CB-CD1 4.39Å; H135-S154 PolarHBondContact N-OG 3.45Å; H135-S154 PolarHBondContact ND1-OG 3.39Å; H135-Y155 VanDerWaalsContact CB-O 3.25Å; H135-Y155 WeakPolarHBondContact CB-O 3.47Å; H135-Y155 PolarHBondContact ND1-O 2.83Å; H135-N163 PolarHBondContact O-ND2 2.96Å
136L95.1Very high95.9Very high124 Ų12461.6 Ų61.665%0.64932%0.318SS*.THydrogen-bonded Turntrans-74.6-12.5167-60.8-179.8000112.2T75 S134T75-L136 HydrophobicContact CG2-CD1 4.01Å; S134-L136 PolarHBondContact O-N 3.48Å; S134-L136 VanDerWaalsContact O-N 3.13Å; S134-L136 WeakPolarHBondContact OG-CG 3.33Å; S134-L136 PolarHBondContact OG-N 3.34Å; S134-L136 VanDerWaalsContact OG-N 3.08Å
137E95.6Very high95.7Very high35 Ų3561.5 Ų61.516%0.16432%0.317CS..SBendtrans-91.4167.5172.7-59.1173.6-124.500112R47 H133 S134 L139 N163R47-E137 VanDerWaalsContact CD-OE1 3.25Å; R47-E137 WeakPolarHBondContact CD-OE1 3.35Å; R47-E137 IonicContact CZ-OE1 3.51Å; R47-E137 IonicContact CZ-OE2 3.93Å; R47-E137 IonicContact NE-OE1 3.16Å; R47-E137 PolarHBondContact NE-OE1 3.22Å; R47-E137 IonicContact NE-OE2 2.8Å; R47-E137 IonicContact NH1-OE1 3.43Å; R47-E137 PolarHBondContact NH1-OE1 3.21Å; R47-E137 IonicContact NH1-OE2 3.75Å; R47-E137 PolarHBondContact NH1-OE2 2.93Å; R47-E137 VanDerWaalsContact NH2-CD 3.3Å; R47-E137 IonicContact NH2-OE1 3.65Å; R47-E137 IonicContact NH2-OE2 2.67Å; R47-E137 PolarHBondContact NH2-OE2 3.41Å; H133-E137 WeakPolarHBondContact CA-OE1 3.33Å; H133-E137 IonicContact ND1-OE1 3.88Å; H133-E137 IonicContact ND1-OE2 2.76Å; H133-E137 PolarHBondContact ND1-OE2 3.37Å; S134-E137 PolarHBondContact N-OE1 3.39Å; S134-E137 WeakPolarHBondContact O-CB 3.45Å; S134-E137 PolarHBondContact O-N 2.96Å; E137-L139 PolarHBondContact O-N 2.76Å; E137-N163 PolarHBondContact O-ND2 3.39Å; E137-N163 PolarHBondContact O-OD1 3.01Å
138N96.3Very high95.6Very high70 Ų7061.2 Ų61.237%0.37432%0.316SS..  trans-83.990.8165.8-172.8-24.4000110Q140 R141N138-Q140 PolarHBondContact O-N 3.37Å; N138-Q140 WeakPolarHBondContact OD1-CB 3.49Å; N138-Q140 PolarHBondContact OD1-N 3.43Å; N138-R141 HydrophobicContact CB-CG 4.23Å; N138-R141 PolarHBondContact ND2-NE 2.75Å; N138-R141 WeakPolarHBondContact O-CB 3.43Å; N138-R141 PolarHBondContact O-N 3.3Å
139L97.1Very high95.6Very high0 Ų061.9 Ų61.90%032%0.319CS..G310 helixtrans-65.3-22.4-175.2-64.4173.6000113.2H133 H135 E137 R141 L142 S154 N163 V164 V165H133-L139 HydrophobicContact CB-CD2 4.09Å; H135-L139 HydrophobicContact CB-CD1 4.39Å; E137-L139 PolarHBondContact O-N 2.76Å; L139-R141 PolarHBondContact O-N 2.96Å; L139-L142 HydrophobicContact CD2-CD1 3.89Å; L139-L142 WeakPolarHBondContact O-CB 3.4Å; L139-L142 PolarHBondContact O-N 3.11Å; L139-S154 WeakPolarHBondContact CD1-O 2.99Å; L139-N163 WeakPolarHBondContact CB-OD1 3.37Å; L139-N163 PolarHBondContact N-OD1 3.14Å; L139-V164 CarbonylContact C-O 3.58Å; L139-V165 HydrophobicContact CB-CG1 4.17Å
140Q95.4Very high95.6Very high109 Ų10962.2 Ų62.251%0.50932%0.32SS..G310 helixtrans-67.5-19.9175.4-59.1179.3-2800112.5N138 H162 V164N138-Q140 PolarHBondContact O-N 3.37Å; N138-Q140 WeakPolarHBondContact OD1-CB 3.49Å; N138-Q140 PolarHBondContact OD1-N 3.43Å; Q140-H162 PolarHBondContact NE2-O 3.02Å; Q140-V164 WeakPolarHBondContact CG-O 3.48Å; Q140-V164 PolarHBondContact N-O 3.2Å
141R95.5Very high95.7Very high201 Ų20157.7 Ų57.776%0.75829%0.29SS*.G310 helixtrans-86.2-7.2177.7-66.8-176.4177175.2-1.1113.5N138 L139N138-R141 HydrophobicContact CB-CG 4.23Å; N138-R141 PolarHBondContact ND2-NE 2.75Å; N138-R141 WeakPolarHBondContact O-CB 3.43Å; N138-R141 PolarHBondContact O-N 3.3Å; L139-R141 PolarHBondContact O-N 2.96Å
142L95.5Very high95.7Very high20 Ų2055.6 Ų55.611%0.10528%0.279CS..SBendtrans-63.6130.5176.6-65.4-176000110H133 L139 P144 L147 L153 V165H133-L142 HydrophobicContact CB-CD1 4.2Å; H133-L142 VanDerWaalsContact CE1-CD2 3.49Å; H133-L142 WeakPolarHBondContact CE1-CD2 3.11Å; H133-L142 WeakPolarHBondContact ND1-CD2 3.38Å; L139-L142 HydrophobicContact CD2-CD1 3.89Å; L139-L142 WeakPolarHBondContact O-CB 3.4Å; L139-L142 PolarHBondContact O-N 3.11Å; L142-P144 WeakPolarHBondContact O-CD 2.98Å; L142-L147 HydrophobicContact CB-CD1 4.22Å; L142-L147 HydrophobicContact CD1-CD1 4.25Å; L142-L153 HydrophobicContact CD1-CD2 3.87Å; L142-V165 HydrophobicContact CD1-CG1 4.19Å
143P93.6Very high95.7Very high70 Ų7055.6 Ų55.646%0.45528%0.28SS..  trans-63.6121.7-177.5-20.131.2000110.9D145 T146 L147P143-D145 PolarHBondContact O-N 3.13Å; P143-T146 HydrophobicContact CB-CG2 4.39Å; P143-T146 PolarHBondContact O-N 2.95Å; P143-T146 PolarHBondContact O-OG1 2.85Å; P143-L147 PolarHBondContact O-N 3.36Å
144P89Confident95.7Very high69 Ų6955.3 Ų55.345%0.44828%0.278SS..G310 helixtrans-54.8-38.7-176.3-28.836000113.7L142 T146 L147L142-P144 WeakPolarHBondContact O-CD 2.98Å; P144-T146 PolarHBondContact O-N 3.44Å; P144-L147 WeakPolarHBondContact O-CB 3.45Å; P144-L147 PolarHBondContact O-N 3.19Å
145D90.5Very high95.8Very high153 Ų15358.1 Ų58.182%0.81829%0.289SS*.G310 helixtrans-66.8-21.3-177.6-59.5-27000113.5P143P143-D145 PolarHBondContact O-N 3.13Å
146T93.8Very high95.8Very high43 Ų4355.8 Ų55.826%0.26428%0.28SS..G310 helixtrans-102.9-5.6179.666.30000112.7P143 P144 L148 Q149 Q150P143-T146 HydrophobicContact CB-CG2 4.39Å; P143-T146 PolarHBondContact O-N 2.95Å; P143-T146 PolarHBondContact O-OG1 2.85Å; P144-T146 PolarHBondContact O-N 3.44Å; T146-L148 VanDerWaalsContact C-N 3.3Å; T146-L148 PolarHBondContact O-N 3.39Å; T146-Q149 WeakPolarHBondContact O-CB 3.34Å; T146-Q149 PolarHBondContact O-N 3.46Å; T146-Q150 PolarHBondContact O-NE2 3.37Å; T146-Q150 PolarHBondContact OG1-NE2 2.93Å
147L94.4Very high95.7Very high6 Ų651.4 Ų51.43%0.03126%0.264CS..G310 helixtrans-61-39.7-168.6-169.674.5000112.5L142 P143 P144 Q149 Q150 L153 V165 V167 V183L142-L147 HydrophobicContact CB-CD1 4.22Å; L142-L147 HydrophobicContact CD1-CD1 4.25Å; P143-L147 PolarHBondContact O-N 3.36Å; P144-L147 WeakPolarHBondContact O-CB 3.45Å; P144-L147 PolarHBondContact O-N 3.19Å; L147-Q149 PolarHBondContact O-N 3.45Å; L147-Q150 WeakPolarHBondContact O-CG 3.49Å; L147-Q150 PolarHBondContact O-N 2.98Å; L147-L153 HydrophobicContact CD1-CD1 3.88Å; L147-L153 HydrophobicContact CD1-CD2 3.71Å; L147-L153 HydrophobicContact CD1-CG 4.47Å; L147-L153 HydrophobicContact CG-CD1 3.96Å; L147-V165 HydrophobicContact CD1-CB 3.82Å; L147-V165 HydrophobicContact CD1-CG1 3.82Å; L147-V165 HydrophobicContact CD2-CB 4Å; L147-V165 HydrophobicContact CD2-CG2 4.04Å; L147-V167 HydrophobicContact CD2-CG1 3.22Å; L147-V183 HydrophobicContact CD2-CG2 4.28Å
148L95.2Very high95.5Very high61 Ų6156.1 Ų56.132%0.31930%0.298SS..G310 helixtrans-74.5-5179.8-53.4-174.8000113.4N26 T146 L186 L187N26-L148 PolarHBondContact ND2-O 3.48Å; T146-L148 VanDerWaalsContact C-N 3.3Å; T146-L148 PolarHBondContact O-N 3.39Å; L148-L186 HydrophobicContact CD1-CB 3.89Å; L148-L186 HydrophobicContact CD2-CB 3.83Å; L148-L186 HydrophobicContact CD2-CD1 4.27Å; L148-L187 HydrophobicContact CB-CD2 3.86Å; L148-L187 HydrophobicContact CD2-CD2 4.18Å; L148-L187 HydrophobicContact CD2-CG 4.11Å; L148-L187 HydrophobicContact CG-CD2 4.43Å
149Q97.3Very high95.4Very high118 Ų11862.3 Ų62.355%0.55133%0.325SS*.G310 helixtrans-96.7-14.8176.4-58.9164.52.100111.8S29 T146 L147S29-Q149 VanDerWaalsContact CB-O 3.28Å; S29-Q149 WeakPolarHBondContact CB-O 3.37Å; S29-Q149 PolarHBondContact OG-O 3.38Å; T146-Q149 WeakPolarHBondContact O-CB 3.34Å; T146-Q149 PolarHBondContact O-N 3.46Å; L147-Q149 PolarHBondContact O-N 3.45Å
150Q98.3Very high95.3Very high17 Ų1766.3 Ų66.38%0.07935%0.346CS..  trans-64151.4179.2-51.8-47.5-47.800111N26 P130 H133 T146 L147 L153N26-Q150 WeakPolarHBondContact CB-O 3.42Å; N26-Q150 PolarHBondContact ND2-O 3.22Å; P130-Q150 PolarHBondContact O-OE1 3.26Å; H133-Q150 PolarHBondContact NE2-OE1 3.28Å; T146-Q150 PolarHBondContact O-NE2 3.37Å; T146-Q150 PolarHBondContact OG1-NE2 2.93Å; L147-Q150 WeakPolarHBondContact O-CG 3.49Å; L147-Q150 PolarHBondContact O-N 2.98Å; Q150-L153 HydrophobicContact CB-CD2 3.88Å; Q150-L153 HydrophobicContact CB-CG 4.37Å; Q150-L153 HydrophobicContact CG-CD2 4.01Å
151V98.8Very high95.3Very high1 Ų164.5 Ų64.51%0.00634%0.344CS..SBendtrans-84-48.1-179.91690000110.4N26 L30 L33 L131 F132N26-V151 PolarHBondContact N-O 2.79Å; L30-V151 HydrophobicContact CB-CG1 3.98Å; L30-V151 HydrophobicContact CD1-CG1 3.65Å; L30-V151 HydrophobicContact CG-CG1 4.36Å; L33-V151 HydrophobicContact CB-CG2 4.42Å; L33-V151 HydrophobicContact CD2-CG2 4.08Å; L131-V151 HydrophobicContact CB-CB 4Å; L131-V151 HydrophobicContact CB-CG2 3.67Å; L131-V151 HydrophobicContact CD1-CG2 3.97Å; L131-V151 HydrophobicContact CG-CG2 4.46Å; L131-V151 WeakPolarHBondContact O-CA 3.21Å; L131-V151 WeakPolarHBondContact O-CB 3.45Å; L131-V151 PolarHBondContact O-N 2.67Å; F132-V151 HydrophobicContact CD1-CG1 4.11Å; F132-V151 HydrophobicContact CE1-CB 4.41Å; F132-V151 HydrophobicContact CE1-CG1 3.59Å; F132-V151 HydrophobicContact CE2-CG1 4.37Å; F132-V151 HydrophobicContact CZ-CB 4.41Å; F132-V151 HydrophobicContact CZ-CG1 3.74Å
152T98.8Very high95.2Very high2 Ų261.5 Ų61.51%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-126.9148.1173.258.40000110.6V19 Y24 V25 A78 L131 F132 H133V19-T152 HydrophobicContact CG1-CG2 4.04Å; Y24-T152 CarbonylContact O-C 3.52Å; Y24-T152 VanDerWaalsContact O-CA 3.27Å; Y24-T152 WeakPolarHBondContact O-CA 3.25Å; V25-T152 HydrophobicContact CG2-CG2 4.41Å; A78-T152 WeakPolarHBondContact O-CB 3.08Å; A78-T152 PolarHBondContact O-OG1 3.3Å; L131-T152 PolarHBondContact O-N 3.43Å; F132-T152 WeakPolarHBondContact CA-OG1 3.12Å; F132-T152 HydrophobicContact CD1-CG2 3.86Å; F132-T152 HydrophobicContact CE1-CG2 4.27Å; H133-T152 PolarHBondContact CD2-O 2.98Å; H133-T152 VanDerWaalsContact CD2-O 3.3Å; H133-T152 PolarHBondContact N-O 2.03Å; H133-T152 PolarHBondContact N-OG1 3.24Å; H133-T152 VanDerWaalsContact N-OG1 3.11Å
153L98.6Very high95.3Very high4 Ų460.9 Ų60.92%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-128.4159.3165.1-60.2170.4000107.5N23 Y24 H133 L142 L147 Q150 V165 F180 V183N23-L153 CarbonylContact C-O 3.46Å; N23-L153 WeakPolarHBondContact CA-O 3.42Å; Y24-L153 PolarHBondContact N-O 3.09Å; Y24-L153 PolarHBondContact O-N 3.47Å; H133-L153 HydrophobicContact CB-CD2 4.4Å; L142-L153 HydrophobicContact CD1-CD2 3.87Å; L147-L153 HydrophobicContact CD1-CD1 3.88Å; L147-L153 HydrophobicContact CD1-CD2 3.71Å; L147-L153 HydrophobicContact CD1-CG 4.47Å; L147-L153 HydrophobicContact CG-CD1 3.96Å; Q150-L153 HydrophobicContact CB-CD2 3.88Å; Q150-L153 HydrophobicContact CB-CG 4.37Å; Q150-L153 HydrophobicContact CG-CD2 4.01Å; L153-V165 HydrophobicContact CB-CG1 4.37Å; L153-V165 HydrophobicContact CD1-CG1 4.27Å; L153-V165 HydrophobicContact CD2-CG1 3.99Å; L153-V165 HydrophobicContact CG-CG1 4.43Å; L153-F180 HydrophobicContact CB-CE1 4.48Å; L153-V183 HydrophobicContact CD1-CG1 4.2Å; L153-V183 HydrophobicContact CD1-CG2 4.12Å
154S98.3Very high95.5Very high0 Ų058.6 Ų58.60%032%0.32CS..  trans-130.6-175.5175-177.20000109.5D22 H135 L139D22-S154 WeakPolarHBondContact O-CA 3.34Å; D22-S154 PolarHBondContact OD1-OG 2.85Å; H135-S154 PolarHBondContact N-OG 3.45Å; H135-S154 PolarHBondContact ND1-OG 3.39Å; L139-S154 WeakPolarHBondContact CD1-O 2.99Å
155Y98.1Very high95.9Very high62 Ų6255.4 Ų55.424%0.24330%0.299CS..  trans-144.1152.3169.563-93.5000110.2D22 H135 T178 F180D22-Y155 HydrophobicContact CB-CD1 4.3Å; D22-Y155 HydrophobicContact CB-CE1 3.71Å; D22-Y155 HydrophobicContact CB-CE2 4.21Å; D22-Y155 WeakPolarHBondContact O-CD1 3.4Å; D22-Y155 WeakPolarHBondContact O-CE1 3.36Å; H135-Y155 VanDerWaalsContact CB-O 3.25Å; H135-Y155 WeakPolarHBondContact CB-O 3.47Å; H135-Y155 PolarHBondContact ND1-O 2.83Å; Y155-T178 HydrophobicContact CD1-CG2 3.65Å; Y155-T178 HydrophobicContact CD2-CG2 3.67Å; Y155-T178 HydrophobicContact CE1-CG2 3.66Å; Y155-T178 HydrophobicContact CE2-CG2 3.73Å; Y155-T178 HydrophobicContact CG-CG2 3.66Å; Y155-F180 HydrophobicContact CD1-CD1 4.5Å; Y155-F180 HydrophobicContact CD1-CD2 4.22Å; Y155-F180 AromaticContact CD1-CE1 3.95Å; Y155-F180 HydrophobicContact CD1-CE1 3.95Å; Y155-F180 AromaticContact CD1-CE2 3.62Å; Y155-F180 HydrophobicContact CD1-CE2 3.62Å; Y155-F180 AromaticContact CD1-CZ 3.49Å; Y155-F180 HydrophobicContact CD1-CZ 3.49Å; Y155-F180 VanDerWaalsContact CD1-CZ 3.49Å; Y155-F180 HydrophobicContact CE1-CD2 4.24Å; Y155-F180 AromaticContact CE1-CE2 3.7Å; Y155-F180 HydrophobicContact CE1-CE2 3.7Å; Y155-F180 HydrophobicContact CE1-CZ 4.05Å
156G96.7Very high96Very high7 Ų752.6 Ų52.67%0.07228%0.284CS..  trans-70.2136.8178.800000113N160 N163G156-N160 WeakPolarHBondContact CA-O 3.43Å; G156-N163 PolarHBondContact N-O 3.45Å
157G92.5Very high95.8Very high31 Ų3151.4 Ų51.432%0.3228%0.276SS..  trans-69.2-170.7173.800000113.8E159 N160G157-E159 PolarHBondContact O-N 2.98Å; G157-N160 CarbonylContact O-C 3.19Å; G157-N160 PolarHBondContact O-N 3.25Å
158P91.9Very high95.2Very high134 Ų13455 Ų5587%0.8731%0.307SS*.THydrogen-bonded Turntrans-55.7-27.9-175.6-27.535.6000115.4N160P158-N160 VanDerWaalsContact C-N 3.33Å
159E93.6Very high94.2Very high201 Ų20154.9 Ų54.994%0.93932%0.321SS*.THydrogen-bonded Turntrans-75.8-20.9177.8-60.2-164.2-166.100113.3G157G157-E159 PolarHBondContact O-N 2.98Å
160N95.4Very high93.5Very high84 Ų8451.6 Ų51.645%0.44932%0.318SS..  trans-145.962179.7-168.55.3000112G156 G157 P158 H162 N163G156-N160 WeakPolarHBondContact CA-O 3.43Å; G157-N160 CarbonylContact O-C 3.19Å; G157-N160 PolarHBondContact O-N 3.25Å; P158-N160 VanDerWaalsContact C-N 3.33Å; N160-H162 PolarHBondContact O-N 3.32Å; N160-N163 WeakPolarHBondContact ND2-CB 3.19Å; N160-N163 PolarHBondContact O-N 3.13Å; N160-N163 VanDerWaalsContact O-N 3.1Å
161P94.8Very high93.3Very high71 Ų7152.4 Ų52.446%0.46132%0.322SS..THydrogen-bonded Turntrans-69-10.7-170.729.6-37000113.5
162H95.1Very high93Very high137 Ų13754.7 Ų54.763%0.63434%0.338SS*.THydrogen-bonded Turntrans-91.3-8.4179.1-58.5-51.2000113.2Q140 N160 V164Q140-H162 PolarHBondContact NE2-O 3.02Å; N160-H162 PolarHBondContact O-N 3.32Å; H162-V164 VanDerWaalsContact C-N 3.3Å; H162-V164 PolarHBondContact O-N 3.22Å
163N97.7Very high92.6Very high8 Ų858.8 Ų58.84%0.04336%0.362CS..  trans-77.984.1176-171.327.9000110.5H135 E137 L139 G156 N160H135-N163 PolarHBondContact O-ND2 2.96Å; E137-N163 PolarHBondContact O-ND2 3.39Å; E137-N163 PolarHBondContact O-OD1 3.01Å; L139-N163 WeakPolarHBondContact CB-OD1 3.37Å; L139-N163 PolarHBondContact N-OD1 3.14Å; G156-N163 PolarHBondContact N-O 3.45Å; N160-N163 WeakPolarHBondContact ND2-CB 3.19Å; N160-N163 PolarHBondContact O-N 3.13Å; N160-N163 VanDerWaalsContact O-N 3.1Å
164V97.2Very high92.4Very high21 Ų2166.5 Ų66.513%0.12740%0.398CS..  trans-136.7159.3-179.2-61.10000109.7L139 Q140 H162 P177 R179L139-V164 CarbonylContact C-O 3.58Å; Q140-V164 WeakPolarHBondContact CG-O 3.48Å; Q140-V164 PolarHBondContact N-O 3.2Å; H162-V164 VanDerWaalsContact C-N 3.3Å; H162-V164 PolarHBondContact O-N 3.22Å; V164-P177 WeakPolarHBondContact CG1-O 3.49Å; V164-R179 HydrophobicContact CB-CG 3.71Å; V164-R179 HydrophobicContact CG1-CG 4.45Å; V164-R179 HydrophobicContact CG2-CG 3.67Å
165V96.7Very high92.3Very high3 Ų372 Ų722%0.01842%0.424CS..  trans-67.5144.5177.9-62.70000111.5L139 L142 L147 L153 V167 R179 V183L139-V165 HydrophobicContact CB-CG1 4.17Å; L142-V165 HydrophobicContact CD1-CG1 4.19Å; L147-V165 HydrophobicContact CD1-CB 3.82Å; L147-V165 HydrophobicContact CD1-CG1 3.82Å; L147-V165 HydrophobicContact CD2-CB 4Å; L147-V165 HydrophobicContact CD2-CG2 4.04Å; L153-V165 HydrophobicContact CB-CG1 4.37Å; L153-V165 HydrophobicContact CD1-CG1 4.27Å; L153-V165 HydrophobicContact CD2-CG1 3.99Å; L153-V165 HydrophobicContact CG-CG1 4.43Å; V165-V167 HydrophobicContact CG2-CG1 4.08Å; V165-V167 PolarHBondContact O-N 2.95Å; V165-R179 HydrophobicContact CG2-CB 3.88Å; V165-V183 HydrophobicContact CG2-CG2 3.97Å
166N93.4Very high92.2Very high94 Ų9469.1 Ų69.150%0.50341%0.413SS..  trans-83.3108.3174.5-170.410.6000110.2
167V88.9Confident92.1Very high17 Ų1772.6 Ų72.610%0.10343%0.434CS..  trans-118.6129178.3-75.60000110.6L147 V165 R179 V183 L186L147-V167 HydrophobicContact CD2-CG1 3.22Å; V165-V167 HydrophobicContact CG2-CG1 4.08Å; V165-V167 PolarHBondContact O-N 2.95Å; V167-R179 HydrophobicContact CG2-CB 3.82Å; V167-R179 HydrophobicContact CG2-CG 4.18Å; V167-V183 HydrophobicContact CG1-CG2 3.69Å; V167-L186 HydrophobicContact CB-CD1 4.41Å; V167-L186 HydrophobicContact CG1-CD1 4.37Å
168A81.8Confident92.3Very high82 Ų8272.7 Ų72.768%0.67843%0.429SS*.  trans-84.3135.317400000110.8
169G75.1Confident92.6Very high59 Ų5967.2 Ų67.261%0.60839%0.391SS*.SBendtrans75.8-179.3178.400000113.9
170G82.7Confident92.7Very high48 Ų4859.1 Ų59.150%0.49535%0.352SS..SBendtrans86.7-131.7-177.800000113.3
171F93.3Very high92.8Very high35 Ų3559.9 Ų59.915%0.15435%0.352CS..SBendtrans-90.8149.8-170.8-67.7-87.4000112Q175 D176 R179 K181 S182 W193 P195F171-Q175 HydrophobicContact CB-CB 3.99Å; F171-Q175 HydrophobicContact CD1-CB 4.03Å; F171-Q175 HydrophobicContact CG-CB 4.46Å; F171-D176 HydrophobicContact CB-CB 3.61Å; F171-D176 HydrophobicContact CD2-CB 4.47Å; F171-D176 HydrophobicContact CG-CB 4.13Å; F171-R179 PolarHBondContact O-NH1 3.04Å; F171-R179 PolarHBondContact O-NH2 2.88Å; F171-R179 VanDerWaalsContact O-NH2 3.12Å; F171-K181 HydrophobicContact CD2-CB 3.68Å; F171-K181 HydrophobicContact CE2-CB 3.69Å; F171-K181 HydrophobicContact CE2-CD 4.49Å; F171-K181 HydrophobicContact CG-CB 4.49Å; F171-K181 HydrophobicContact CZ-CB 4.49Å; F171-S182 PolarHBondContact N-OG 3.08Å; F171-W193 HydrophobicContact CE2-CE3 4.14Å; F171-W193 AromaticContact CE2-CZ3 3.79Å; F171-W193 HydrophobicContact CE2-CZ3 3.79Å; F171-W193 AromaticContact CZ-CE3 3.85Å; F171-W193 HydrophobicContact CZ-CE3 3.85Å; F171-W193 AromaticContact CZ-CZ3 3.97Å; F171-W193 HydrophobicContact CZ-CZ3 3.97Å; F171-P195 HydrophobicContact CD2-CG 4.45Å; F171-P195 HydrophobicContact CE2-CG 4.15Å; F171-P195 HydrophobicContact CZ-CG 4.28Å
172S92.6Very high92.9Very high49 Ų4956.5 Ų56.534%0.34333%0.33SS..  trans-63.9159.1168.984.60000110.8Q174 Q175 D176 R179S172-Q174 PolarHBondContact O-N 3.48Å; S172-Q174 PolarHBondContact OG-N 3.18Å; S172-Q174 PolarHBondContact OG-OE1 3.19Å; S172-Q175 VanDerWaalsContact N-OE1 3.1Å; S172-Q175 PolarHBondContact O-N 3.22Å; S172-Q175 PolarHBondContact OG-N 3.3Å; S172-D176 PolarHBondContact O-N 3.03Å; S172-R179 VanDerWaalsContact C-NH2 3.33Å; S172-R179 PolarHBondContact O-NH2 3.03Å
173V91.2Very high93Very high87 Ų8750 Ų5053%0.52730%0.3SS..THydrogen-bonded Turntrans-57.2-35.1178.8176.30000111.5Q175 D176 P177V173-Q175 VanDerWaalsContact C-N 3.3Å; V173-Q175 PolarHBondContact O-N 2.83Å; V173-D176 CarbonylContact O-C 3.58Å; V173-D176 PolarHBondContact O-N 2.67Å; V173-P177 WeakPolarHBondContact O-CA 3.48Å; V173-P177 VanDerWaalsContact O-N 3.11Å
174Q93.6Very high92.9Very high166 Ų16652 Ų5278%0.77631%0.308SS*.THydrogen-bonded Turntrans-65.9-31.8176.8-60.5799.500112.8S172S172-Q174 PolarHBondContact O-N 3.48Å; S172-Q174 PolarHBondContact OG-N 3.18Å; S172-Q174 PolarHBondContact OG-OE1 3.19Å
175Q95.3Very high92.9Very high115 Ų11551.7 Ų51.754%0.53731%0.307SS..THydrogen-bonded Turntrans-84.7-22.3-177.8-69.3174.5-40.400113.5F171 S172 V173F171-Q175 HydrophobicContact CB-CB 3.99Å; F171-Q175 HydrophobicContact CD1-CB 4.03Å; F171-Q175 HydrophobicContact CG-CB 4.46Å; S172-Q175 VanDerWaalsContact N-OE1 3.1Å; S172-Q175 PolarHBondContact O-N 3.22Å; S172-Q175 PolarHBondContact OG-N 3.3Å; V173-Q175 VanDerWaalsContact C-N 3.3Å; V173-Q175 PolarHBondContact O-N 2.83Å
176D96.4Very high92.8Very high3 Ų354.5 Ų54.52%0.01632%0.322CS..  trans-151.465.4-174.2165.742.3000110.2F171 S172 V173 T178 R179 F180 K181 S182F171-D176 HydrophobicContact CB-CB 3.61Å; F171-D176 HydrophobicContact CD2-CB 4.47Å; F171-D176 HydrophobicContact CG-CB 4.13Å; S172-D176 PolarHBondContact O-N 3.03Å; V173-D176 CarbonylContact O-C 3.58Å; V173-D176 PolarHBondContact O-N 2.67Å; D176-T178 PolarHBondContact O-N 2.99Å; D176-R179 VanDerWaalsContact C-NH2 3.29Å; D176-R179 PolarHBondContact O-N 3.07Å; D176-R179 PolarHBondContact O-NE 3.16Å; D176-R179 PolarHBondContact O-NH2 3.22Å; D176-R179 WeakPolarHBondContact OD1-CA 3.39Å; D176-R179 PolarHBondContact OD1-N 3.21Å; D176-R179 VanDerWaalsContact OD2-C 3.25Å; D176-R179 WeakPolarHBondContact OD2-CA 3.34Å; D176-R179 IonicContact OD2-CZ 3.75Å; D176-R179 IonicContact OD2-NE 3.83Å; D176-R179 IonicContact OD2-NH2 3.3Å; D176-R179 PolarHBondContact OD2-NH2 2.76Å; D176-F180 PolarHBondContact OD1-N 3.28Å; D176-F180 VanDerWaalsContact OD1-N 3.13Å; D176-K181 HydrophobicContact CB-CB 4Å; D176-K181 HydrophobicContact CB-CD 4.2Å; D176-K181 HydrophobicContact CB-CG 4.35Å; D176-K181 VanDerWaalsContact CG-CB 3.48Å; D176-K181 PolarHBondContact OD1-N 3.24Å; D176-K181 PolarHBondContact OD2-N 2.64Å; D176-S182 VanDerWaalsContact OD2-CB 3.3Å; D176-S182 WeakPolarHBondContact OD2-CB 3.3Å; D176-S182 PolarHBondContact OD2-N 3.06Å; D176-S182 PolarHBondContact OD2-OG 2.79Å
177P95.8Very high92.8Very high79 Ų7952 Ų5251%0.51331%0.309SS..THydrogen-bonded Turntrans-56.6-30.4-171.320.8-33.3000113.7V164 V173 R179V164-P177 WeakPolarHBondContact CG1-O 3.49Å; V173-P177 WeakPolarHBondContact O-CA 3.48Å; V173-P177 VanDerWaalsContact O-N 3.11Å; P177-R179 VanDerWaalsContact C-N 3.34Å
178T96.9Very high93.2Very high34 Ų3455.2 Ų55.221%0.20932%0.319CS..THydrogen-bonded Turntrans-80.4-13.5178.5680000114Y155 D176 F180Y155-T178 HydrophobicContact CD1-CG2 3.65Å; Y155-T178 HydrophobicContact CD2-CG2 3.67Å; Y155-T178 HydrophobicContact CE1-CG2 3.66Å; Y155-T178 HydrophobicContact CE2-CG2 3.73Å; Y155-T178 HydrophobicContact CG-CG2 3.66Å; D176-T178 PolarHBondContact O-N 2.99Å; T178-F180 PolarHBondContact O-N 2.65Å; T178-F180 PolarHBondContact OG1-N 3.3Å
179R96.9Very high93.8Very high19 Ų1955.5 Ų55.57%0.07231%0.314CS..SBendtrans69.51.5-173.9-49-72.667.1-163.8-6114.8V164 V165 V167 F171 S172 D176 P177 K181 S182 V183V164-R179 HydrophobicContact CB-CG 3.71Å; V164-R179 HydrophobicContact CG1-CG 4.45Å; V164-R179 HydrophobicContact CG2-CG 3.67Å; V165-R179 HydrophobicContact CG2-CB 3.88Å; V167-R179 HydrophobicContact CG2-CB 3.82Å; V167-R179 HydrophobicContact CG2-CG 4.18Å; F171-R179 PolarHBondContact O-NH1 3.04Å; F171-R179 PolarHBondContact O-NH2 2.88Å; F171-R179 VanDerWaalsContact O-NH2 3.12Å; S172-R179 VanDerWaalsContact C-NH2 3.33Å; S172-R179 PolarHBondContact O-NH2 3.03Å; D176-R179 VanDerWaalsContact C-NH2 3.29Å; D176-R179 PolarHBondContact O-N 3.07Å; D176-R179 PolarHBondContact O-NE 3.16Å; D176-R179 PolarHBondContact O-NH2 3.22Å; D176-R179 WeakPolarHBondContact OD1-CA 3.39Å; D176-R179 PolarHBondContact OD1-N 3.21Å; D176-R179 VanDerWaalsContact OD2-C 3.25Å; D176-R179 WeakPolarHBondContact OD2-CA 3.34Å; D176-R179 IonicContact OD2-CZ 3.75Å; D176-R179 IonicContact OD2-NE 3.83Å; D176-R179 IonicContact OD2-NH2 3.3Å; D176-R179 PolarHBondContact OD2-NH2 2.76Å; P177-R179 VanDerWaalsContact C-N 3.34Å; R179-K181 PolarHBondContact O-N 2.76Å; R179-S182 PolarHBondContact O-N 2.9Å; R179-V183 WeakPolarHBondContact O-CG2 3.37Å; R179-V183 PolarHBondContact O-N 2.74Å
180F97.3Very high94.7Very high30 Ų3059.8 Ų59.813%0.13232%0.323CS..Hα-helixtrans-67.7-34.2-177.3-76.25.9000113D22 Y24 L153 Y155 D176 T178 S182 V183 H184D22-F180 WeakPolarHBondContact O-CE2 3.35Å; D22-F180 WeakPolarHBondContact O-CZ 3.49Å; Y24-F180 VanDerWaalsContact CB-CZ 3.44Å; Y24-F180 HydrophobicContact CD2-CB 4Å; Y24-F180 HydrophobicContact CD2-CD1 4.37Å; Y24-F180 HydrophobicContact CD2-CD2 4.1Å; Y24-F180 AromaticContact CD2-CG 3.92Å; Y24-F180 HydrophobicContact CD2-CG 3.92Å; Y24-F180 HydrophobicContact CG-CD1 4.42Å; Y24-F180 HydrophobicContact CG-CG 4.37Å; L153-F180 HydrophobicContact CB-CE1 4.48Å; Y155-F180 HydrophobicContact CD1-CD1 4.5Å; Y155-F180 HydrophobicContact CD1-CD2 4.22Å; Y155-F180 AromaticContact CD1-CE1 3.95Å; Y155-F180 HydrophobicContact CD1-CE1 3.95Å; Y155-F180 AromaticContact CD1-CE2 3.62Å; Y155-F180 HydrophobicContact CD1-CE2 3.62Å; Y155-F180 AromaticContact CD1-CZ 3.49Å; Y155-F180 HydrophobicContact CD1-CZ 3.49Å; Y155-F180 VanDerWaalsContact CD1-CZ 3.49Å; Y155-F180 HydrophobicContact CE1-CD2 4.24Å; Y155-F180 AromaticContact CE1-CE2 3.7Å; Y155-F180 HydrophobicContact CE1-CE2 3.7Å; Y155-F180 HydrophobicContact CE1-CZ 4.05Å; D176-F180 PolarHBondContact OD1-N 3.28Å; D176-F180 VanDerWaalsContact OD1-N 3.13Å; T178-F180 PolarHBondContact O-N 2.65Å; T178-F180 PolarHBondContact OG1-N 3.3Å; F180-S182 VanDerWaalsContact C-N 3.32Å; F180-V183 PolarHBondContact O-N 3.13Å; F180-H184 VanDerWaalsContact O-CB 3.23Å; F180-H184 WeakPolarHBondContact O-CB 3.35Å; F180-H184 PolarHBondContact O-N 3.47Å
181K96.9Very high95.4Very high100 Ų10059.3 Ų59.344%0.43531%0.311SS..Hα-helixtrans-66.2-40174.8-64.8-176.9-177.4168.80111F171 D176 R179 H184 C185 W193F171-K181 HydrophobicContact CD2-CB 3.68Å; F171-K181 HydrophobicContact CE2-CB 3.69Å; F171-K181 HydrophobicContact CE2-CD 4.49Å; F171-K181 HydrophobicContact CG-CB 4.49Å; F171-K181 HydrophobicContact CZ-CB 4.49Å; D176-K181 HydrophobicContact CB-CB 4Å; D176-K181 HydrophobicContact CB-CD 4.2Å; D176-K181 HydrophobicContact CB-CG 4.35Å; D176-K181 VanDerWaalsContact CG-CB 3.48Å; D176-K181 PolarHBondContact OD1-N 3.24Å; D176-K181 PolarHBondContact OD2-N 2.64Å; R179-K181 PolarHBondContact O-N 2.76Å; K181-H184 PolarHBondContact O-N 3.33Å; K181-C185 WeakPolarHBondContact O-CB 3.18Å; K181-C185 PolarHBondContact O-N 3.28Å; K181-C185 PolarHBondContact O-SG 3.42Å; K181-W193 HydrophobicContact CB-CH2 4.11Å; K181-W193 HydrophobicContact CB-CZ3 3.79Å; K181-W193 HydrophobicContact CD-CZ3 4.41Å; K181-W193 HydrophobicContact CG-CH2 4.24Å; K181-W193 HydrophobicContact CG-CZ3 4.09Å
182S96.3Very high95.5Very high0 Ų065.7 Ų65.70%035%0.346CS..Hα-helixtrans-65.8-45.6177.3-56.90000111.2F171 D176 R179 F180 H184 C185 L186F171-S182 PolarHBondContact N-OG 3.08Å; D176-S182 VanDerWaalsContact OD2-CB 3.3Å; D176-S182 WeakPolarHBondContact OD2-CB 3.3Å; D176-S182 PolarHBondContact OD2-N 3.06Å; D176-S182 PolarHBondContact OD2-OG 2.79Å; R179-S182 PolarHBondContact O-N 2.9Å; F180-S182 VanDerWaalsContact C-N 3.32Å; S182-H184 VanDerWaalsContact C-N 3.34Å; S182-H184 PolarHBondContact O-N 3.15Å; S182-C185 PolarHBondContact O-N 3.05Å; S182-L186 WeakPolarHBondContact O-CG 3.37Å; S182-L186 PolarHBondContact O-N 3.3Å; S182-L186 VanDerWaalsContact O-N 3.13Å
183V96.4Very high95.5Very high2 Ų269.5 Ų69.51%0.01235%0.354CS..Hα-helixtrans-57-47.4171.6171.40000111.1Y24 L147 L153 V165 V167 R179 F180 C185 L186 L187Y24-V183 HydrophobicContact CD1-CG1 3.96Å; Y24-V183 HydrophobicContact CE1-CG1 3.72Å; Y24-V183 HydrophobicContact CE2-CG1 4.44Å; Y24-V183 HydrophobicContact CG-CG1 4.44Å; L147-V183 HydrophobicContact CD2-CG2 4.28Å; L153-V183 HydrophobicContact CD1-CG1 4.2Å; L153-V183 HydrophobicContact CD1-CG2 4.12Å; V165-V183 HydrophobicContact CG2-CG2 3.97Å; V167-V183 HydrophobicContact CG1-CG2 3.69Å; R179-V183 WeakPolarHBondContact O-CG2 3.37Å; R179-V183 PolarHBondContact O-N 2.74Å; F180-V183 PolarHBondContact O-N 3.13Å; V183-C185 PolarHBondContact O-N 3.36Å; V183-L186 PolarHBondContact O-N 3.22Å; V183-L187 HydrophobicContact CG1-CD1 3.9Å; V183-L187 PolarHBondContact O-N 2.9Å
184H97.2Very high95.7Very high48 Ų4866.1 Ų66.122%0.22233%0.333CS..Hα-helixtrans-59.8-46-179.2-171.687.1000112.2Y24 F180 K181 S182 L186 L187 Y188 T191 W193Y24-H184 HydrophobicContact CE2-CB 3.99Å; Y24-H184 WeakPolarHBondContact OH-CA 3.37Å; Y24-H184 PolarHBondContact OH-ND1 2.95Å; Y24-H184 VanDerWaalsContact OH-ND1 3.15Å; F180-H184 VanDerWaalsContact O-CB 3.23Å; F180-H184 WeakPolarHBondContact O-CB 3.35Å; F180-H184 PolarHBondContact O-N 3.47Å; K181-H184 PolarHBondContact O-N 3.33Å; S182-H184 VanDerWaalsContact C-N 3.34Å; S182-H184 PolarHBondContact O-N 3.15Å; H184-L186 VanDerWaalsContact C-N 3.27Å; H184-L186 PolarHBondContact O-N 3.22Å; H184-L187 PolarHBondContact O-N 3.12Å; H184-L187 VanDerWaalsContact O-N 3.16Å; H184-Y188 AromaticContact CE1-CD2 3.51Å; H184-Y188 AromaticContact ND1-CD2 3.64Å; H184-Y188 AromaticContact NE2-CD2 3.89Å; H184-Y188 PolarHBondContact O-N 2.85Å; H184-T191 PolarHBondContact NE2-OG1 2.96Å; H184-W193 HydrophobicContact CB-CH2 4.02Å; H184-W193 AromaticContact CD2-CH2 3.5Å; H184-W193 VanDerWaalsContact CD2-CH2 3.5Å; H184-W193 WeakPolarHBondContact CD2-CH2 3.21Å; H184-W193 AromaticContact CD2-CZ2 3.34Å; H184-W193 WeakPolarHBondContact CD2-CZ2 3.42Å; H184-W193 AromaticContact CG-CH2 3.95Å; H184-W193 AromaticContact NE2-CZ2 3.84Å
185C96.1Very high95.5Very high15 Ų1560.9 Ų60.910%0.10131%0.314CS..Hα-helixtrans-68.7-24178.9-69.30000114K181 S182 V183 P189 W193 C194K181-C185 WeakPolarHBondContact O-CB 3.18Å; K181-C185 PolarHBondContact O-N 3.28Å; K181-C185 PolarHBondContact O-SG 3.42Å; S182-C185 PolarHBondContact O-N 3.05Å; V183-C185 PolarHBondContact O-N 3.36Å; C185-P189 VanDerWaalsContact O-CA 3.27Å; C185-P189 WeakPolarHBondContact O-CA 3.43Å; C185-W193 WeakPolarHBondContact SG-CZ3 3.47Å; C185-C194 WeakPolarHBondContact CA-SG 3.43Å; C185-C194 HydrophobicContact CB-CB 3.73Å; C185-C194 WeakPolarHBondContact CB-SG 3.25Å; C185-C194 WeakPolarHBondContact SG-CA 3.47Å; C185-C194 WeakPolarHBondContact SG-CB 3.19Å; C185-C194 CovalentContact SG-SG 2.03Å; C185-C194 PolarHBondContact SG-SG 3.47Å
186L94.3Very high94.8Very high63 Ų6366.8 Ų66.833%0.3333%0.331SS..Hα-helixtrans-75.1-35.4171.3-69.8171.1000111.9L148 V167 S182 V183 H184L148-L186 HydrophobicContact CD1-CB 3.89Å; L148-L186 HydrophobicContact CD2-CB 3.83Å; L148-L186 HydrophobicContact CD2-CD1 4.27Å; V167-L186 HydrophobicContact CB-CD1 4.41Å; V167-L186 HydrophobicContact CG1-CD1 4.37Å; S182-L186 WeakPolarHBondContact O-CG 3.37Å; S182-L186 PolarHBondContact O-N 3.3Å; S182-L186 VanDerWaalsContact O-N 3.13Å; V183-L186 PolarHBondContact O-N 3.22Å; H184-L186 VanDerWaalsContact C-N 3.27Å; H184-L186 PolarHBondContact O-N 3.22Å
187L95.1Very high93.3Very high42 Ų4274.7 Ų74.722%0.2237%0.368CS..Hα-helixtrans-78-34.4176.9-70.8169.7000113Y24 L148 V183 H184Y24-L187 HydrophobicContact CE1-CD1 3.57Å; L148-L187 HydrophobicContact CB-CD2 3.86Å; L148-L187 HydrophobicContact CD2-CD2 4.18Å; L148-L187 HydrophobicContact CD2-CG 4.11Å; L148-L187 HydrophobicContact CG-CD2 4.43Å; V183-L187 HydrophobicContact CG1-CD1 3.9Å; V183-L187 PolarHBondContact O-N 2.9Å; H184-L187 PolarHBondContact O-N 3.12Å; H184-L187 VanDerWaalsContact O-N 3.16Å
188Y95.6Very high91.1Very high83 Ų8380.6 Ų80.633%0.32539%0.386SS..  trans-134.472.5-172.7-51.7-72.9000109.7H184 D190 T191H184-Y188 AromaticContact CE1-CD2 3.51Å; H184-Y188 AromaticContact ND1-CD2 3.64Å; H184-Y188 AromaticContact NE2-CD2 3.89Å; H184-Y188 PolarHBondContact O-N 2.85Å; Y188-D190 PolarHBondContact O-N 2.98Å; Y188-T191 WeakPolarHBondContact O-CB 3.35Å; Y188-T191 PolarHBondContact O-N 3.18Å; Y188-T191 PolarHBondContact O-OG1 2.79Å
189P94.1Very high88.6Confident88 Ų8887.8 Ų87.857%0.57142%0.417SS*.THydrogen-bonded Turntrans-66.9-21.2-172.927.3-36.2000113.9C185 T191C185-P189 VanDerWaalsContact O-CA 3.27Å; C185-P189 WeakPolarHBondContact O-CA 3.43Å; P189-T191 PolarHBondContact O-N 2.95Å
190D95.2Very high86Confident150 Ų15090.1 Ų90.180%0.80245%0.447SS*.THydrogen-bonded Turntrans-81.1-2.5-179.7-57.4-45.4000113.2Y188 D192Y188-D190 PolarHBondContact O-N 2.98Å; D190-D192 PolarHBondContact O-N 3.22Å
191T96.4Very high83.1Confident37 Ų3792.9 Ų92.923%0.22748%0.475CS..  trans-65.2124.4177.3-65.40000110.6H184 Y188 P189 W193 C194H184-T191 PolarHBondContact NE2-OG1 2.96Å; Y188-T191 WeakPolarHBondContact O-CB 3.35Å; Y188-T191 PolarHBondContact O-N 3.18Å; Y188-T191 PolarHBondContact O-OG1 2.79Å; P189-T191 PolarHBondContact O-N 2.95Å; T191-W193 VanDerWaalsContact C-N 3.26Å; T191-W193 HydrophobicContact CG2-CD2 3.93Å; T191-W193 HydrophobicContact CG2-CG 4.06Å; T191-W193 HydrophobicContact CG2-CZ2 3.82Å; T191-W193 PolarHBondContact O-N 3.47Å; T191-C194 WeakPolarHBondContact O-CB 3.36Å; T191-C194 PolarHBondContact O-N 3.1Å
192D95.6Very high80.5Confident169 Ų16993.9 Ų93.990%0.90449%0.492SS*.THydrogen-bonded Turntrans-54.4-32.3-166.7-67.8-33.5000116.1D190 C194D190-D192 PolarHBondContact O-N 3.22Å; D192-C194 VanDerWaalsContact C-N 3.33Å
193W94.1Very high78.3Confident130 Ų130101.7 Ų101.749%0.49253%0.532SS..THydrogen-bonded Turntrans-87.4-2.7-178.754.8-99.3000113.4F171 K181 H184 C185 T191F171-W193 HydrophobicContact CE2-CE3 4.14Å; F171-W193 AromaticContact CE2-CZ3 3.79Å; F171-W193 HydrophobicContact CE2-CZ3 3.79Å; F171-W193 AromaticContact CZ-CE3 3.85Å; F171-W193 HydrophobicContact CZ-CE3 3.85Å; F171-W193 AromaticContact CZ-CZ3 3.97Å; F171-W193 HydrophobicContact CZ-CZ3 3.97Å; K181-W193 HydrophobicContact CB-CH2 4.11Å; K181-W193 HydrophobicContact CB-CZ3 3.79Å; K181-W193 HydrophobicContact CD-CZ3 4.41Å; K181-W193 HydrophobicContact CG-CH2 4.24Å; K181-W193 HydrophobicContact CG-CZ3 4.09Å; H184-W193 HydrophobicContact CB-CH2 4.02Å; H184-W193 AromaticContact CD2-CH2 3.5Å; H184-W193 VanDerWaalsContact CD2-CH2 3.5Å; H184-W193 WeakPolarHBondContact CD2-CH2 3.21Å; H184-W193 AromaticContact CD2-CZ2 3.34Å; H184-W193 WeakPolarHBondContact CD2-CZ2 3.42Å; H184-W193 AromaticContact CG-CH2 3.95Å; H184-W193 AromaticContact NE2-CZ2 3.84Å; C185-W193 WeakPolarHBondContact SG-CZ3 3.47Å; T191-W193 VanDerWaalsContact C-N 3.26Å; T191-W193 HydrophobicContact CG2-CD2 3.93Å; T191-W193 HydrophobicContact CG2-CG 4.06Å; T191-W193 HydrophobicContact CG2-CZ2 3.82Å; T191-W193 PolarHBondContact O-N 3.47Å
194C95.1Very high75.7Confident15 Ų15106.8 Ų106.810%0.10157%0.568CS.*SBendtrans-69138.5177.5-72.30000111.3C185 T191 D192 R196C185-C194 WeakPolarHBondContact CA-SG 3.43Å; C185-C194 HydrophobicContact CB-CB 3.73Å; C185-C194 WeakPolarHBondContact CB-SG 3.25Å; C185-C194 WeakPolarHBondContact SG-CA 3.47Å; C185-C194 WeakPolarHBondContact SG-CB 3.19Å; C185-C194 CovalentContact SG-SG 2.03Å; C185-C194 PolarHBondContact SG-SG 3.47Å; T191-C194 WeakPolarHBondContact O-CB 3.36Å; T191-C194 PolarHBondContact O-N 3.1Å; D192-C194 VanDerWaalsContact C-N 3.33Å; C194-R196 PolarHBondContact O-N 3.4Å; C194-R196 VanDerWaalsContact O-N 3.16Å
195P89.3Confident73.3Confident56 Ų56119.1 Ų119.136%0.36461%0.612SS.*PPolyproline II helixtrans-65.1122.5177.127-31.7000107.8F171 Q197F171-P195 HydrophobicContact CD2-CG 4.45Å; F171-P195 HydrophobicContact CE2-CG 4.15Å; F171-P195 HydrophobicContact CZ-CG 4.28Å; P195-Q197 PolarHBondContact O-N 3.04Å; P195-Q197 VanDerWaalsContact O-N 3.07Å
196R80.3Confident72.1Confident240 Ų240124.3 Ų124.391%0.90664%0.638SS**PPolyproline II helixtrans-56.9120.3172.3-66.2-177-178.8-179.1-0.2107.5C194 K198C194-R196 PolarHBondContact O-N 3.4Å; C194-R196 VanDerWaalsContact O-N 3.16Å; R196-K198 PolarHBondContact O-N 2.91Å
197Q64.3Low71Confident168 Ų168127.5 Ų127.579%0.78565%0.654SS**PPolyproline II helixtrans-53.6117.9171.3-72.6-176.1-7.900106.8P195 Q199P195-Q197 PolarHBondContact O-N 3.04Å; P195-Q197 VanDerWaalsContact O-N 3.07Å; Q197-Q199 PolarHBondContact O-N 3.05Å
198K50.4Low69.6Low204 Ų204132.3 Ų132.389%0.88768%0.678SS**  trans-61.799.3163.6-75.9-175.9178.7179.70104.8R196 G200R196-K198 PolarHBondContact O-N 2.91Å; K198-G200 PolarHBondContact O-N 2.88Å; K198-G200 VanDerWaalsContact O-N 3.15Å
199Q43.8Very low68.1Low184 Ų184135.2 Ų135.286%0.8670%0.699SS**PPolyproline II helixtrans-47126.2165.3-72.5-179.4100106.3Q197 A201Q197-Q199 PolarHBondContact O-N 3.05Å; Q199-A201 PolarHBondContact O-N 3.2Å
200G43.3Very low66.5Low69 Ų69138.1 Ų138.171%0.71171%0.707SS**PPolyproline II helixtrans-46.2133.9-17200000111K198K198-G200 PolarHBondContact O-N 2.88Å; K198-G200 VanDerWaalsContact O-N 3.15Å
201A36Very low64.5Low88 Ų88137.3 Ų137.373%0.72770%0.701SS**PPolyproline II helixtrans-50.1137162.500000108Q199 I203Q199-A201 PolarHBondContact O-N 3.2Å; A201-I203 PolarHBondContact O-N 3.19Å
202P42.6Very low62.3Low121 Ų121144.5 Ų144.579%0.78673%0.734SS**PPolyproline II helixtrans-56.7128.8174.2-14.326.3000107.7S204P202-S204 VanDerWaalsContact C-N 3.28Å; P202-S204 PolarHBondContact O-N 2.95Å
203I48.3Very low59.7Low163 Ų163142.6 Ų142.684%0.83672%0.721SS**  trans-62.4100.6164.1-60.9171.7000105A201 R205A201-I203 PolarHBondContact O-N 3.19Å; I203-R205 PolarHBondContact O-N 3.44Å
204S42.8Very low56.8Low110 Ų110143.7 Ų143.777%0.76974%0.741SS**  trans-64119169-162.90000106.7P202P202-S204 VanDerWaalsContact C-N 3.28Å; P202-S204 PolarHBondContact O-N 2.95Å
205R45.8Very low53.4Low306 Ų306155.4 Ų155.4100%1.15580%0.799SS**  trans-61.90161.2-73.7-177.2176.4-173-1.1110.1I203I203-R205 PolarHBondContact O-N 3.44Å

Retrieved 205 of 205 residues in 129.6 ms (Link to these results)

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