A0A077Z115_TRITR Loading...

Peptidase M13 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z115, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 279 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
1M91.1Very high93.8Very high91 Ų9180.5 Ų80.545%0.44835%0.352SS..  01210-172.6-179.5-77.500111.4Y72 N77 I79 M112 A115M1-Y72 HydrophobicContact CE-CD2 4.39Å; M1-Y72 HydrophobicContact CE-CE2 4.03Å; M1-N77 CarbonylContact C-O 3.15Å; M1-N77 WeakPolarHBondContact CA-O 3.27Å; M1-N77 PolarHBondContact N-ND2 2.77Å; M1-I79 HydrophobicContact CE-CG2 4.24Å; M1-I79 HydrophobicContact CG-CG2 4.28Å; M1-I79 HydrophobicContact SD-CB 4.48Å; M1-I79 HydrophobicContact SD-CD1 4.32Å; M1-I79 HydrophobicContact SD-CG1 4.21Å; M1-I79 HydrophobicContact SD-CG2 3.55Å; M1-I79 VanDerWaalsContact SD-CG2 3.55Å; M1-M112 HydrophobicContact SD-CG 3.93Å; M1-A115 HydrophobicContact CE-CB 3.47Å; M1-A115 VanDerWaalsContact CE-CB 3.47Å
2R93.3Very high93.7Very high98 Ų9890 Ų9037%0.3738%0.383SS..EExtended strand (participates in β ladder)trans-80.1151.5172.9-177.4-177.9-64.3145.16.4110.6S58 N77 S78 I79R2-S58 PolarHBondContact NH1-O 3.07Å; R2-S58 PolarHBondContact NH1-OG 3.22Å; R2-S58 PolarHBondContact NH2-OG 3.33Å; R2-N77 PolarHBondContact N-O 3.29Å; R2-S78 WeakPolarHBondContact O-CA 3.13Å; R2-I79 PolarHBondContact O-N 2.76Å
3R94.2Very high93.9Very high202 Ų20288.4 Ų88.476%0.76238%0.382SS*.EExtended strand (participates in β ladder)trans-121.4122.1179.5-57.4172.8-64.1-178.31110.3I79R3-I79 HydrophobicContact CG-CD1 4.42Å; R3-I79 HydrophobicContact CG-CG1 4.32Å
4N94.7Very high94.1Very high13 Ų1390.2 Ų90.27%0.0740%0.398CS..EExtended strand (participates in β ladder)trans-113.1115.8177.4-70.8-16.5000108F61 I79 T80 L81N4-F61 HydrophobicContact CB-CD1 3.74Å; N4-F61 HydrophobicContact CB-CD2 4.22Å; N4-F61 HydrophobicContact CB-CE1 3.42Å; N4-F61 VanDerWaalsContact CB-CE1 3.42Å; N4-F61 HydrophobicContact CB-CE2 3.91Å; N4-F61 HydrophobicContact CB-CG 4.15Å; N4-F61 HydrophobicContact CB-CZ 3.52Å; N4-I79 PolarHBondContact N-O 2.66Å; N4-T80 HydrophobicContact CB-CG2 3.88Å; N4-T80 WeakPolarHBondContact CB-OG1 3.19Å; N4-T80 PolarHBondContact ND2-OG1 3.37Å; N4-T80 CarbonylContact O-C 3.57Å; N4-T80 WeakPolarHBondContact O-CA 3.26Å; N4-L81 PolarHBondContact O-N 3.2Å
5V95.5Very high94.4Very high90 Ų9092.5 Ų92.555%0.54542%0.416SS..EExtended strand (participates in β ladder)trans-130.4130.5-171.8-174.70000110.5F7 L81 I86V5-F7 PolarHBondContact O-N 3.5Å; V5-F7 VanDerWaalsContact O-N 3.12Å; V5-L81 CarbonylContact C-O 3.57Å; V5-L81 WeakPolarHBondContact CA-O 3.4Å; V5-I86 HydrophobicContact CG1-CD1 3.57Å
6G95.8Very high94.3Very high10 Ų1091.9 Ų91.910%0.10342%0.418CS..EExtended strand (participates in β ladder)trans79.4-84.3179.800000112.1L81 P82 A83G6-L81 PolarHBondContact N-O 2.99Å; G6-P82 CarbonylContact O-C 3.37Å; G6-P82 WeakPolarHBondContact O-CA 3.45Å; G6-A83 PolarHBondContact O-N 3.38Å
7F95.2Very high94.3Very high80 Ų8089.4 Ų89.435%0.35141%0.408SS..SBendtrans-151.7154-174.553.3-95.7000112.5V5 R9 I11 R12 F61 P65V5-F7 PolarHBondContact O-N 3.5Å; V5-F7 VanDerWaalsContact O-N 3.12Å; F7-R9 PolarHBondContact O-N 3.11Å; F7-I11 HydrophobicContact CB-CD1 3.73Å; F7-I11 HydrophobicContact CD2-CD1 4.23Å; F7-I11 HydrophobicContact CD2-CG1 4.22Å; F7-I11 HydrophobicContact CG-CD1 4.22Å; F7-R12 HydrophobicContact CD2-CG 4.26Å; F7-R12 HydrophobicContact CE2-CG 3.65Å; F7-R12 HydrophobicContact CZ-CG 4.34Å; F7-F61 VanDerWaalsContact C-CE2 3.46Å; F7-F61 WeakPolarHBondContact O-CZ 3.25Å; F7-P65 HydrophobicContact CB-CB 3.61Å; F7-P65 HydrophobicContact CB-CG 4.39Å
8P93.9Very high94.4Very high5 Ų590.4 Ų90.43%0.03242%0.417CS..  trans-59.9128.9172.2-18.928.7000110.8W10 I11 D59 F61P8-W10 HydrophobicContact CB-CG 4.34Å; P8-W10 VanDerWaalsContact CB-NE1 3.26Å; P8-W10 PolarHBondContact O-N 2.74Å; P8-W10 VanDerWaalsContact O-N 3.11Å; P8-I11 HydrophobicContact CB-CG2 4.18Å; P8-I11 HydrophobicContact CG-CG2 4.4Å; P8-I11 WeakPolarHBondContact O-CG1 3.33Å; P8-I11 PolarHBondContact O-N 3.18Å; P8-D59 WeakPolarHBondContact CB-O 3.42Å; P8-F61 HydrophobicContact CB-CD1 4.17Å; P8-F61 HydrophobicContact CB-CE1 4.31Å; P8-F61 HydrophobicContact CG-CB 3.96Å; P8-F61 HydrophobicContact CG-CD1 3.74Å; P8-F61 HydrophobicContact CG-CD2 4.11Å; P8-F61 HydrophobicContact CG-CE1 4.21Å; P8-F61 HydrophobicContact CG-CG 3.67Å
9R92.6Very high94.4Very high226 Ų22692.6 Ų92.685%0.85343%0.426SS*.G310 helixtrans-59-31.4-174.5-68.3-177-179.7175.7-0.2113.5F7 I11 R12F7-R9 PolarHBondContact O-N 3.11Å; R9-I11 PolarHBondContact O-N 3.35Å; R9-R12 PolarHBondContact O-N 3.36Å
10W92Very high94.2Very high24 Ų2491.3 Ų91.39%0.09142%0.417CS..G310 helixtrans-64.9-25.6-17665.9-98.7000113.2P8 R12 N13 L16 L17 Y20P8-W10 HydrophobicContact CB-CG 4.34Å; P8-W10 VanDerWaalsContact CB-NE1 3.26Å; P8-W10 PolarHBondContact O-N 2.74Å; P8-W10 VanDerWaalsContact O-N 3.11Å; W10-R12 PolarHBondContact O-N 3.19Å; W10-R12 VanDerWaalsContact O-N 3.14Å; W10-N13 PolarHBondContact O-N 3.18Å; W10-N13 VanDerWaalsContact O-N 3.09Å; W10-L16 HydrophobicContact CB-CD1 3.91Å; W10-L17 HydrophobicContact CH2-CD1 4.5Å; W10-L17 HydrophobicContact CZ3-CD1 3.82Å; W10-Y20 AromaticContact CH2-CD1 3.82Å; W10-Y20 HydrophobicContact CH2-CD1 3.82Å; W10-Y20 AromaticContact CH2-CD2 3.84Å; W10-Y20 HydrophobicContact CH2-CD2 3.84Å; W10-Y20 HydrophobicContact CH2-CE1 4.11Å; W10-Y20 HydrophobicContact CH2-CE2 4.16Å; W10-Y20 AromaticContact CH2-CG 3.66Å; W10-Y20 HydrophobicContact CH2-CG 3.66Å; W10-Y20 HydrophobicContact CZ3-CD1 4.2Å; W10-Y20 HydrophobicContact CZ3-CD2 4.24Å; W10-Y20 AromaticContact CZ3-CG 3.82Å; W10-Y20 HydrophobicContact CZ3-CG 3.82Å
11I93.2Very high94.2Very high47 Ų4792.1 Ų92.124%0.24142%0.418CS..G310 helixtrans-68.9-13179.680.6-179.1000113.2F7 P8 R9 N13 L17 P65F7-I11 HydrophobicContact CB-CD1 3.73Å; F7-I11 HydrophobicContact CD2-CD1 4.23Å; F7-I11 HydrophobicContact CD2-CG1 4.22Å; F7-I11 HydrophobicContact CG-CD1 4.22Å; P8-I11 HydrophobicContact CB-CG2 4.18Å; P8-I11 HydrophobicContact CG-CG2 4.4Å; P8-I11 WeakPolarHBondContact O-CG1 3.33Å; P8-I11 PolarHBondContact O-N 3.18Å; R9-I11 PolarHBondContact O-N 3.35Å; I11-N13 VanDerWaalsContact C-N 3.34Å; I11-L17 HydrophobicContact CB-CD1 4.33Å; I11-P65 HydrophobicContact CD1-CG 4.05Å
12R93.5Very high94.4Very high194 Ų19492.6 Ų92.673%0.73242%0.419SS*.G310 helixtrans-86.6-6.2175.5-71.7-16665.4170.81.5113.6F7 R9 W10F7-R12 HydrophobicContact CD2-CG 4.26Å; F7-R12 HydrophobicContact CE2-CG 3.65Å; F7-R12 HydrophobicContact CZ-CG 4.34Å; R9-R12 PolarHBondContact O-N 3.36Å; W10-R12 PolarHBondContact O-N 3.19Å; W10-R12 VanDerWaalsContact O-N 3.14Å
13N96.2Very high94.4Very high69 Ų6992.4 Ų92.437%0.36942%0.418SS..  trans-103114175.1179.1-44.1000107.7W10 I11 D15 L16 L17W10-N13 PolarHBondContact O-N 3.18Å; W10-N13 VanDerWaalsContact O-N 3.09Å; I11-N13 VanDerWaalsContact C-N 3.34Å; N13-D15 VanDerWaalsContact C-N 3.31Å; N13-D15 PolarHBondContact O-N 2.04Å; N13-D15 WeakPolarHBondContact OD1-CB 3.44Å; N13-D15 PolarHBondContact OD1-N 3.42Å; N13-L16 HydrophobicContact CB-CB 4.11Å; N13-L16 HydrophobicContact CB-CD1 3.95Å; N13-L16 HydrophobicContact CB-CG 4.03Å; N13-L16 PolarHBondContact O-N 2.83Å; N13-L16 PolarHBondContact OD1-N 3.47Å; N13-L16 VanDerWaalsContact OD1-N 3.1Å; N13-L17 WeakPolarHBondContact O-CB 3.29Å; N13-L17 PolarHBondContact O-N 3.21Å
14N96.8Very high94.5Very high114 Ų11484.4 Ų84.461%0.6139%0.39SS*.Hα-helixtrans-58.6-42.5-177.2-67.2-1.8000111.6L16 L17 D18N14-L16 VanDerWaalsContact C-N 3.32Å; N14-L16 PolarHBondContact O-N 3.27Å; N14-L17 PolarHBondContact O-N 3.1Å; N14-L17 VanDerWaalsContact O-N 3.13Å; N14-D18 WeakPolarHBondContact O-CB 3.45Å; N14-D18 VanDerWaalsContact O-CG 3.23Å; N14-D18 PolarHBondContact O-N 2.89Å
15D97.3Very high94.4Very high125 Ų12591.6 Ų91.667%0.66842%0.424SS*.Hα-helixtrans-61.6-40.4179.4-54.1-28.1000112N13 K19N13-D15 VanDerWaalsContact C-N 3.31Å; N13-D15 PolarHBondContact O-N 2.04Å; N13-D15 WeakPolarHBondContact OD1-CB 3.44Å; N13-D15 PolarHBondContact OD1-N 3.42Å; D15-K19 WeakPolarHBondContact O-CB 3.49Å; D15-K19 PolarHBondContact O-N 2.86Å
16L94.1Very high94.4Very high83 Ų8393.1 Ų93.144%0.43542%0.423SS..Hα-helixtrans-70.7-36.1176.9-66-178.8000112W10 N13 N14 Y20W10-L16 HydrophobicContact CB-CD1 3.91Å; N13-L16 HydrophobicContact CB-CB 4.11Å; N13-L16 HydrophobicContact CB-CD1 3.95Å; N13-L16 HydrophobicContact CB-CG 4.03Å; N13-L16 PolarHBondContact O-N 2.83Å; N13-L16 PolarHBondContact OD1-N 3.47Å; N13-L16 VanDerWaalsContact OD1-N 3.1Å; N14-L16 VanDerWaalsContact C-N 3.32Å; N14-L16 PolarHBondContact O-N 3.27Å; L16-Y20 WeakPolarHBondContact O-CB 3.11Å; L16-Y20 PolarHBondContact O-N 3.17Å
17L93.9Very high94.2Very high48 Ų4895.4 Ų95.425%0.25144%0.438SS..Hα-helixtrans-69.8-47.1178.4-170.264.8000111.2W10 I11 N13 N14 K19 Y20 Y21W10-L17 HydrophobicContact CH2-CD1 4.5Å; W10-L17 HydrophobicContact CZ3-CD1 3.82Å; I11-L17 HydrophobicContact CB-CD1 4.33Å; N13-L17 WeakPolarHBondContact O-CB 3.29Å; N13-L17 PolarHBondContact O-N 3.21Å; N14-L17 PolarHBondContact O-N 3.1Å; N14-L17 VanDerWaalsContact O-N 3.13Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-K19 PolarHBondContact O-N 3.03Å; L17-Y20 WeakPolarHBondContact O-CB 3.39Å; L17-Y20 PolarHBondContact O-N 3.14Å; L17-Y20 VanDerWaalsContact O-N 3.15Å; L17-Y21 HydrophobicContact CD1-CD2 4.17Å; L17-Y21 HydrophobicContact CD1-CE2 3.63Å; L17-Y21 HydrophobicContact CG-CD2 4.28Å; L17-Y21 HydrophobicContact CG-CE2 4.17Å; L17-Y21 VanDerWaalsContact O-CD2 3.29Å; L17-Y21 WeakPolarHBondContact O-CD2 3.47Å; L17-Y21 PolarHBondContact O-N 2.96Å
18D95.7Very high94.1Very high108 Ų10899.4 Ų99.458%0.57846%0.463SS*.Hα-helixtrans-61.8-44176.3-68.5-16.9000110.2N14 Y20 Y21 E22N14-D18 WeakPolarHBondContact O-CB 3.45Å; N14-D18 VanDerWaalsContact O-CG 3.23Å; N14-D18 PolarHBondContact O-N 2.89Å; D18-Y20 VanDerWaalsContact C-N 3.29Å; D18-Y20 PolarHBondContact O-N 3.46Å; D18-Y21 CarbonylContact O-C 3.43Å; D18-Y21 PolarHBondContact O-N 3.11Å; D18-E22 WeakPolarHBondContact O-CA 3.37Å; D18-E22 PolarHBondContact O-N 2.89Å
19K93.7Very high94.1Very high133 Ų133107.5 Ų107.558%0.57850%0.5SS*.Hα-helixtrans-59.6-38.1174-175.7173.6-174.71740112.9D15 L17 Y21 E22D15-K19 WeakPolarHBondContact O-CB 3.49Å; D15-K19 PolarHBondContact O-N 2.86Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-K19 PolarHBondContact O-N 3.03Å; K19-Y21 VanDerWaalsContact C-N 3.32Å; K19-Y21 PolarHBondContact O-N 3.22Å; K19-E22 WeakPolarHBondContact O-CB 3.42Å; K19-E22 WeakPolarHBondContact O-CG 3.07Å; K19-E22 PolarHBondContact O-N 3.06Å
20Y91.2Very high94.2Very high66 Ų66100.1 Ų100.126%0.25948%0.475SS..Hα-helixtrans-64.7-38.1178.1179.7-97.8000111.8W10 L16 L17 D18 W42W10-Y20 AromaticContact CH2-CD1 3.82Å; W10-Y20 HydrophobicContact CH2-CD1 3.82Å; W10-Y20 AromaticContact CH2-CD2 3.84Å; W10-Y20 HydrophobicContact CH2-CD2 3.84Å; W10-Y20 HydrophobicContact CH2-CE1 4.11Å; W10-Y20 HydrophobicContact CH2-CE2 4.16Å; W10-Y20 AromaticContact CH2-CG 3.66Å; W10-Y20 HydrophobicContact CH2-CG 3.66Å; W10-Y20 HydrophobicContact CZ3-CD1 4.2Å; W10-Y20 HydrophobicContact CZ3-CD2 4.24Å; W10-Y20 AromaticContact CZ3-CG 3.82Å; W10-Y20 HydrophobicContact CZ3-CG 3.82Å; L16-Y20 WeakPolarHBondContact O-CB 3.11Å; L16-Y20 PolarHBondContact O-N 3.17Å; L17-Y20 WeakPolarHBondContact O-CB 3.39Å; L17-Y20 PolarHBondContact O-N 3.14Å; L17-Y20 VanDerWaalsContact O-N 3.15Å; D18-Y20 VanDerWaalsContact C-N 3.29Å; D18-Y20 PolarHBondContact O-N 3.46Å; Y20-W42 HydrophobicContact CD1-CH2 4.32Å; Y20-W42 HydrophobicContact CD1-CZ2 4.34Å; Y20-W42 AromaticContact CE1-CH2 3.58Å; Y20-W42 HydrophobicContact CE1-CH2 3.58Å; Y20-W42 AromaticContact CE1-CZ2 3.98Å; Y20-W42 HydrophobicContact CE1-CZ2 3.98Å; Y20-W42 AromaticContact CZ-CH2 3.98Å
21Y94Very high94.4Very high109 Ų109101.8 Ų101.843%0.42749%0.49SS..Hα-helixtrans-93.95.4178-64.3-67.6000114.3L17 D18 K19 R23 L24 W42L17-Y21 HydrophobicContact CD1-CD2 4.17Å; L17-Y21 HydrophobicContact CD1-CE2 3.63Å; L17-Y21 HydrophobicContact CG-CD2 4.28Å; L17-Y21 HydrophobicContact CG-CE2 4.17Å; L17-Y21 VanDerWaalsContact O-CD2 3.29Å; L17-Y21 WeakPolarHBondContact O-CD2 3.47Å; L17-Y21 PolarHBondContact O-N 2.96Å; D18-Y21 CarbonylContact O-C 3.43Å; D18-Y21 PolarHBondContact O-N 3.11Å; K19-Y21 VanDerWaalsContact C-N 3.32Å; K19-Y21 PolarHBondContact O-N 3.22Å; Y21-R23 PolarHBondContact O-N 3.25Å; Y21-L24 HydrophobicContact CD1-CD2 4.2Å; Y21-L24 WeakPolarHBondContact O-CB 3.29Å; Y21-L24 PolarHBondContact O-N 2.85Å; Y21-W42 AromaticContact CD1-CH2 3.81Å; Y21-W42 HydrophobicContact CD1-CH2 3.81Å; Y21-W42 AromaticContact CD1-CZ2 3.74Å; Y21-W42 HydrophobicContact CD1-CZ2 3.74Å; Y21-W42 AromaticContact CE1-CH2 3.64Å; Y21-W42 HydrophobicContact CE1-CH2 3.64Å; Y21-W42 HydrophobicContact CE1-CZ2 4.06Å; Y21-W42 HydrophobicContact CE1-CZ3 4.33Å
22E95.1Very high94.5Very high101 Ų101103.7 Ų103.747%0.47251%0.513SS..THydrogen-bonded Turntrans-56-27.7-173.377.1-172177.900113.5D18 K19D18-E22 WeakPolarHBondContact O-CA 3.37Å; D18-E22 PolarHBondContact O-N 2.89Å; K19-E22 WeakPolarHBondContact O-CB 3.42Å; K19-E22 WeakPolarHBondContact O-CG 3.07Å; K19-E22 PolarHBondContact O-N 3.06Å
23R94.7Very high94.6Very high93 Ų93101.5 Ų101.535%0.35151%0.509SS..THydrogen-bonded Turntrans-943.1-179.6-64.2-170.8-76.6-98.9-2.8114Y21 E46 R49Y21-R23 PolarHBondContact O-N 3.25Å; R23-E46 IonicContact CZ-OE1 2.69Å; R23-E46 VanDerWaalsContact CZ-OE1 3.28Å; R23-E46 IonicContact CZ-OE2 2.89Å; R23-E46 IonicContact NE-OE1 3.36Å; R23-E46 PolarHBondContact NE-OE1 2.99Å; R23-E46 IonicContact NE-OE2 3.26Å; R23-E46 VanDerWaalsContact NH2-CD 3.28Å; R23-E46 IonicContact NH2-OE1 3.87Å; R23-E46 PolarHBondContact NH2-OE1 3.28Å; R23-E46 IonicContact NH2-OE2 2.95Å; R23-E46 PolarHBondContact NH2-OE2 3.46Å; R23-R49 VanDerWaalsContact CZ-CD 3.48Å; R23-R49 VanDerWaalsContact CZ-CZ 3.42Å; R23-R49 VanDerWaalsContact NH2-CD 3.28Å; R23-R49 VanDerWaalsContact NH2-NE 3.19Å
24L95.4Very high94.6Very high34 Ų34100 Ų10018%0.17850%0.504CS..  trans-103.786.2176.9-178.260.4000109.2Y21 F26 T39 W42Y21-L24 HydrophobicContact CD1-CD2 4.2Å; Y21-L24 WeakPolarHBondContact O-CB 3.29Å; Y21-L24 PolarHBondContact O-N 2.85Å; L24-F26 HydrophobicContact CG-CD1 4.2Å; L24-F26 HydrophobicContact CG-CE1 4.35Å; L24-T39 HydrophobicContact CD1-CG2 4.3Å; L24-T39 HydrophobicContact CD2-CG2 4.37Å; L24-W42 HydrophobicContact CB-CD2 4.26Å; L24-W42 HydrophobicContact CB-CG 4.03Å; L24-W42 HydrophobicContact CD1-CB 3.82Å; L24-W42 HydrophobicContact CD1-CD2 4.41Å; L24-W42 HydrophobicContact CD1-CG 3.9Å; L24-W42 HydrophobicContact CD2-CD2 4.34Å; L24-W42 HydrophobicContact CD2-CE3 4.49Å; L24-W42 HydrophobicContact CG-CG 4.4Å
25E93.3Very high94.6Very high165 Ų16597.3 Ų97.377%0.77149%0.49SS*.  trans-98132.3177.9-63177-174.900110.2
26F93.9Very high94.5Very high122 Ų12294.8 Ų94.854%0.53548%0.476SS..  trans-151.7163.7173.758.9-88.4000109.9L24 E30 L35 L38L24-F26 HydrophobicContact CG-CD1 4.2Å; L24-F26 HydrophobicContact CG-CE1 4.35Å; F26-E30 HydrophobicContact CB-CG 4.21Å; F26-L35 HydrophobicContact CB-CD2 3.82Å; F26-L35 HydrophobicContact CD2-CD2 3.82Å; F26-L35 HydrophobicContact CG-CD2 3.86Å; F26-L38 HydrophobicContact CB-CD1 4.3Å
27S92.8Very high94.6Very high58 Ų5895.1 Ų95.141%0.40648%0.478SS..  trans-115.1161.8175.275.50000111.2Q29 E30S27-Q29 PolarHBondContact O-N 3.44Å; S27-Q29 PolarHBondContact OG-N 2.76Å; S27-E30 WeakPolarHBondContact O-CG 3.43Å; S27-E30 PolarHBondContact O-N 3.49Å; S27-E30 VanDerWaalsContact O-N 3.15Å
28D93Very high94.7Very high164 Ų16495.9 Ų95.988%0.87748%0.482SS*.THydrogen-bonded Turntrans-64.6-7.5176.3-64.3-23000113.6
29Q94.8Very high94.7Very high174 Ų17493.4 Ų93.481%0.81347%0.471SS*.THydrogen-bonded Turntrans-91.2-6.5178-59.4-60.8-23.800113.4S27 S31S27-Q29 PolarHBondContact O-N 3.44Å; S27-Q29 PolarHBondContact OG-N 2.76Å; Q29-S31 PolarHBondContact O-N 3.03Å
30E93.3Very high94.8Very high72 Ų7295 Ų9534%0.33647%0.473SS..  trans-66.1131.8-178.9-68.1-63.8164.100111.5F26 S27 S34 L35 L38F26-E30 HydrophobicContact CB-CG 4.21Å; S27-E30 WeakPolarHBondContact O-CG 3.43Å; S27-E30 PolarHBondContact O-N 3.49Å; S27-E30 VanDerWaalsContact O-N 3.15Å; E30-S34 WeakPolarHBondContact OE2-CB 3.29Å; E30-S34 PolarHBondContact OE2-OG 3.01Å; E30-L35 HydrophobicContact CB-CD1 4.31Å; E30-L35 HydrophobicContact CB-CD2 3.6Å; E30-L35 HydrophobicContact CB-CG 3.58Å; E30-L35 HydrophobicContact CG-CD2 4.09Å; E30-L38 HydrophobicContact CG-CD1 4.19Å
31S96.4Very high95Very high58 Ų5894.4 Ų94.441%0.40648%0.479SS..  trans-65.3155.9171.679.10000110.5Q29 F33 S34 L35Q29-S31 PolarHBondContact O-N 3.03Å; S31-F33 PolarHBondContact O-N 3.22Å; S31-F33 VanDerWaalsContact O-N 3.15Å; S31-F33 PolarHBondContact OG-N 3.1Å; S31-S34 WeakPolarHBondContact O-CB 3.45Å; S31-S34 PolarHBondContact O-N 3.45Å; S31-S34 PolarHBondContact OG-N 3.16Å; S31-S34 PolarHBondContact OG-OG 3.24Å; S31-L35 PolarHBondContact O-N 3.43Å
32A95.6Very high95.1Very high88 Ų8890.7 Ų90.773%0.72746%0.464SS*.Hα-helixtrans-55.6-33.8174.300000112.8N36A32-N36 WeakPolarHBondContact O-CB 3.48Å; A32-N36 PolarHBondContact O-N 2.68Å; A32-N36 VanDerWaalsContact O-N 3.07Å
33F96.4Very high95.1Very high148 Ų14888.4 Ų88.465%0.64946%0.459SS*.Hα-helixtrans-67.6-46.7174.8179-101.6000111.7S31 N36 L37S31-F33 PolarHBondContact O-N 3.22Å; S31-F33 VanDerWaalsContact O-N 3.15Å; S31-F33 PolarHBondContact OG-N 3.1Å; F33-N36 WeakPolarHBondContact O-CB 3.24Å; F33-N36 PolarHBondContact O-N 3.42Å; F33-L37 HydrophobicContact CD1-CD1 4.04Å; F33-L37 HydrophobicContact CE1-CD1 3.39Å; F33-L37 HydrophobicContact CE1-CG 4.19Å; F33-L37 HydrophobicContact CE2-CD1 4.47Å; F33-L37 HydrophobicContact CZ-CD1 3.65Å; F33-L37 HydrophobicContact CZ-CD2 4.49Å; F33-L37 HydrophobicContact CZ-CG 4.19Å; F33-L37 PolarHBondContact O-N 2.86Å
34S96Very high95.1Very high38 Ų3887.7 Ų87.727%0.26647%0.465SS..Hα-helixtrans-60.4-47.8176.8-54.60000111.5E30 S31 N36 L37 L38E30-S34 WeakPolarHBondContact OE2-CB 3.29Å; E30-S34 PolarHBondContact OE2-OG 3.01Å; S31-S34 WeakPolarHBondContact O-CB 3.45Å; S31-S34 PolarHBondContact O-N 3.45Å; S31-S34 PolarHBondContact OG-N 3.16Å; S31-S34 PolarHBondContact OG-OG 3.24Å; S34-N36 VanDerWaalsContact C-N 3.28Å; S34-N36 PolarHBondContact O-N 3.47Å; S34-L37 PolarHBondContact O-N 2.69Å; S34-L37 VanDerWaalsContact O-N 3.14Å; S34-L38 WeakPolarHBondContact O-CB 3.43Å; S34-L38 WeakPolarHBondContact O-CG 3.47Å; S34-L38 PolarHBondContact O-N 3.34Å
35L95.9Very high95.1Very high57 Ų5792.3 Ų92.330%0.29848%0.483SS..Hα-helixtrans-57.5-40.5175.4-73.1174.1000111.9F26 E30 S31 L38 T39F26-L35 HydrophobicContact CB-CD2 3.82Å; F26-L35 HydrophobicContact CD2-CD2 3.82Å; F26-L35 HydrophobicContact CG-CD2 3.86Å; E30-L35 HydrophobicContact CB-CD1 4.31Å; E30-L35 HydrophobicContact CB-CD2 3.6Å; E30-L35 HydrophobicContact CB-CG 3.58Å; E30-L35 HydrophobicContact CG-CD2 4.09Å; S31-L35 PolarHBondContact O-N 3.43Å; L35-L38 PolarHBondContact O-N 2.91Å; L35-T39 WeakPolarHBondContact O-CB 3.01Å; L35-T39 VanDerWaalsContact O-CG2 3.31Å; L35-T39 WeakPolarHBondContact O-CG2 3.47Å; L35-T39 PolarHBondContact O-N 3.01Å; L35-T39 PolarHBondContact O-OG1 3.29Å
36N95.4Very high95Very high71 Ų7185.7 Ų85.738%0.3845%0.453SS..Hα-helixtrans-64.2-42.2176.7-167.2-102.4000112.5A32 F33 S34 T39 R40A32-N36 WeakPolarHBondContact O-CB 3.48Å; A32-N36 PolarHBondContact O-N 2.68Å; A32-N36 VanDerWaalsContact O-N 3.07Å; F33-N36 WeakPolarHBondContact O-CB 3.24Å; F33-N36 PolarHBondContact O-N 3.42Å; S34-N36 VanDerWaalsContact C-N 3.28Å; S34-N36 PolarHBondContact O-N 3.47Å; N36-T39 PolarHBondContact O-OG1 2.89Å; N36-T39 VanDerWaalsContact O-OG1 3.08Å; N36-R40 WeakPolarHBondContact O-CB 3.17Å; N36-R40 VanDerWaalsContact O-CG 3.23Å; N36-R40 WeakPolarHBondContact O-CG 3.31Å; N36-R40 PolarHBondContact O-N 2.94Å; N36-R40 WeakPolarHBondContact OD1-CD 3.38Å; N36-R40 PolarHBondContact OD1-NE 3.48Å
37L96Very high94.8Very high91 Ų9184.5 Ų84.548%0.47645%0.452SS..Hα-helixtrans-67.4-42.4176.9-69.1-177.5000112F33 S34 S41F33-L37 HydrophobicContact CD1-CD1 4.04Å; F33-L37 HydrophobicContact CE1-CD1 3.39Å; F33-L37 HydrophobicContact CE1-CG 4.19Å; F33-L37 HydrophobicContact CE2-CD1 4.47Å; F33-L37 HydrophobicContact CZ-CD1 3.65Å; F33-L37 HydrophobicContact CZ-CD2 4.49Å; F33-L37 HydrophobicContact CZ-CG 4.19Å; F33-L37 PolarHBondContact O-N 2.86Å; S34-L37 PolarHBondContact O-N 2.69Å; S34-L37 VanDerWaalsContact O-N 3.14Å; L37-S41 WeakPolarHBondContact O-CB 3.39Å; L37-S41 PolarHBondContact O-N 3.25Å
38L96Very high94.8Very high63 Ų6388.3 Ų88.333%0.3346%0.461SS..Hα-helixtrans-60.8-51.2177.6-73.1171.8000111.2F26 E30 S34 L35 R40 S41 W42F26-L38 HydrophobicContact CB-CD1 4.3Å; E30-L38 HydrophobicContact CG-CD1 4.19Å; S34-L38 WeakPolarHBondContact O-CB 3.43Å; S34-L38 WeakPolarHBondContact O-CG 3.47Å; S34-L38 PolarHBondContact O-N 3.34Å; L35-L38 PolarHBondContact O-N 2.91Å; L38-R40 PolarHBondContact O-N 3.09Å; L38-S41 PolarHBondContact O-N 3.03Å; L38-W42 WeakPolarHBondContact O-CB 3.42Å; L38-W42 PolarHBondContact O-N 3.08Å
39T95.4Very high94.6Very high57 Ų5785.3 Ų85.335%0.3544%0.438SS..Hα-helixtrans-63.6-39.6179.850.70000112.6L24 L35 N36 S43L24-T39 HydrophobicContact CD1-CG2 4.3Å; L24-T39 HydrophobicContact CD2-CG2 4.37Å; L35-T39 WeakPolarHBondContact O-CB 3.01Å; L35-T39 VanDerWaalsContact O-CG2 3.31Å; L35-T39 WeakPolarHBondContact O-CG2 3.47Å; L35-T39 PolarHBondContact O-N 3.01Å; L35-T39 PolarHBondContact O-OG1 3.29Å; N36-T39 PolarHBondContact O-OG1 2.89Å; N36-T39 VanDerWaalsContact O-OG1 3.08Å; T39-S43 WeakPolarHBondContact O-CB 3.39Å; T39-S43 PolarHBondContact O-N 3.44Å
40R95.8Very high94.2Very high165 Ų16581 Ų8162%0.62342%0.42SS*.Hα-helixtrans-64.5-45.9173.1-75.1178.8-177.9-143.1-0.2112.3N36 L38 S43 V44N36-R40 WeakPolarHBondContact O-CB 3.17Å; N36-R40 VanDerWaalsContact O-CG 3.23Å; N36-R40 WeakPolarHBondContact O-CG 3.31Å; N36-R40 PolarHBondContact O-N 2.94Å; N36-R40 WeakPolarHBondContact OD1-CD 3.38Å; N36-R40 PolarHBondContact OD1-NE 3.48Å; L38-R40 PolarHBondContact O-N 3.09Å; R40-S43 PolarHBondContact O-N 3.37Å; R40-V44 WeakPolarHBondContact O-CG2 3.25Å; R40-V44 PolarHBondContact O-N 3.08Å
41S96.3Very high94Very high55 Ų5584.2 Ų84.239%0.38544%0.439SS..Hα-helixtrans-60.6-45.9177.8-178.50000111.3L37 L38 V44 K45L37-S41 WeakPolarHBondContact O-CB 3.39Å; L37-S41 PolarHBondContact O-N 3.25Å; L38-S41 PolarHBondContact O-N 3.03Å; S41-V44 PolarHBondContact O-N 2.93Å; S41-K45 WeakPolarHBondContact O-CG 3.46Å; S41-K45 PolarHBondContact O-N 3.45Å
42W96.6Very high93.6Very high31 Ų3188.2 Ų88.212%0.11746%0.455CS..Hα-helixtrans-58.5-48.9173.9171.785.8000111.5Y20 Y21 L24 L38 V44 K45 E46Y20-W42 HydrophobicContact CD1-CH2 4.32Å; Y20-W42 HydrophobicContact CD1-CZ2 4.34Å; Y20-W42 AromaticContact CE1-CH2 3.58Å; Y20-W42 HydrophobicContact CE1-CH2 3.58Å; Y20-W42 AromaticContact CE1-CZ2 3.98Å; Y20-W42 HydrophobicContact CE1-CZ2 3.98Å; Y20-W42 AromaticContact CZ-CH2 3.98Å; Y21-W42 AromaticContact CD1-CH2 3.81Å; Y21-W42 HydrophobicContact CD1-CH2 3.81Å; Y21-W42 AromaticContact CD1-CZ2 3.74Å; Y21-W42 HydrophobicContact CD1-CZ2 3.74Å; Y21-W42 AromaticContact CE1-CH2 3.64Å; Y21-W42 HydrophobicContact CE1-CH2 3.64Å; Y21-W42 HydrophobicContact CE1-CZ2 4.06Å; Y21-W42 HydrophobicContact CE1-CZ3 4.33Å; L24-W42 HydrophobicContact CB-CD2 4.26Å; L24-W42 HydrophobicContact CB-CG 4.03Å; L24-W42 HydrophobicContact CD1-CB 3.82Å; L24-W42 HydrophobicContact CD1-CD2 4.41Å; L24-W42 HydrophobicContact CD1-CG 3.9Å; L24-W42 HydrophobicContact CD2-CD2 4.34Å; L24-W42 HydrophobicContact CD2-CE3 4.49Å; L24-W42 HydrophobicContact CG-CG 4.4Å; L38-W42 WeakPolarHBondContact O-CB 3.42Å; L38-W42 PolarHBondContact O-N 3.08Å; W42-V44 VanDerWaalsContact C-N 3.34Å; W42-V44 PolarHBondContact O-N 3.22Å; W42-K45 PolarHBondContact O-N 2.8Å; W42-K45 VanDerWaalsContact O-N 3.11Å; W42-E46 HydrophobicContact CD2-CG 3.99Å; W42-E46 VanDerWaalsContact CE2-CG 3.48Å; W42-E46 HydrophobicContact CG-CG 4.36Å; W42-E46 HydrophobicContact CH2-CG 4.37Å; W42-E46 HydrophobicContact CZ2-CG 3.72Å; W42-E46 WeakPolarHBondContact O-CG 3.24Å; W42-E46 PolarHBondContact O-N 3.47Å
43S94.1Very high92.9Very high52 Ų5288.4 Ų88.436%0.36444%0.44SS..Hα-helixtrans-59.5-41.8179.6178.30000112.8T39 R40 E46 N47T39-S43 WeakPolarHBondContact O-CB 3.39Å; T39-S43 PolarHBondContact O-N 3.44Å; R40-S43 PolarHBondContact O-N 3.37Å; S43-E46 PolarHBondContact O-N 3.24Å; S43-N47 PolarHBondContact O-N 3.38Å; S43-N47 PolarHBondContact O-ND2 2.97Å
44V95.4Very high91.9Very high79 Ų7985.4 Ų85.448%0.47945%0.451SS..Hα-helixtrans-63-45.4174.9171.40000111R40 S41 W42 N47 F48R40-V44 WeakPolarHBondContact O-CG2 3.25Å; R40-V44 PolarHBondContact O-N 3.08Å; S41-V44 PolarHBondContact O-N 2.93Å; W42-V44 VanDerWaalsContact C-N 3.34Å; W42-V44 PolarHBondContact O-N 3.22Å; V44-N47 PolarHBondContact O-N 3.4Å; V44-F48 HydrophobicContact CG1-CD2 3.83Å; V44-F48 HydrophobicContact CG1-CE2 3.67Å; V44-F48 VanDerWaalsContact O-CD2 3.26Å; V44-F48 WeakPolarHBondContact O-CD2 3.45Å; V44-F48 PolarHBondContact O-N 2.85Å; V44-F48 VanDerWaalsContact O-N 3.1Å
45K94.8Very high91Very high130 Ų13089.2 Ų89.257%0.56547%0.473SS*.Hα-helixtrans-61.8-46.4178-71.8174.5-176.3-1800111.5S41 W42 N47 F48 R49S41-K45 WeakPolarHBondContact O-CG 3.46Å; S41-K45 PolarHBondContact O-N 3.45Å; W42-K45 PolarHBondContact O-N 2.8Å; W42-K45 VanDerWaalsContact O-N 3.11Å; K45-N47 VanDerWaalsContact C-N 3.32Å; K45-N47 PolarHBondContact O-N 3.12Å; K45-F48 PolarHBondContact O-N 3.24Å; K45-R49 WeakPolarHBondContact O-CG 3.5Å; K45-R49 PolarHBondContact O-N 3.17Å
46E91.1Very high90.2Very high26 Ų2691.8 Ų91.812%0.12149%0.491CS..Hα-helixtrans-60.6-41.1177.8-70-50.5120.900112.1R23 W42 S43 F48 R49 L50R23-E46 IonicContact CZ-OE1 2.69Å; R23-E46 VanDerWaalsContact CZ-OE1 3.28Å; R23-E46 IonicContact CZ-OE2 2.89Å; R23-E46 IonicContact NE-OE1 3.36Å; R23-E46 PolarHBondContact NE-OE1 2.99Å; R23-E46 IonicContact NE-OE2 3.26Å; R23-E46 VanDerWaalsContact NH2-CD 3.28Å; R23-E46 IonicContact NH2-OE1 3.87Å; R23-E46 PolarHBondContact NH2-OE1 3.28Å; R23-E46 IonicContact NH2-OE2 2.95Å; R23-E46 PolarHBondContact NH2-OE2 3.46Å; W42-E46 HydrophobicContact CD2-CG 3.99Å; W42-E46 VanDerWaalsContact CE2-CG 3.48Å; W42-E46 HydrophobicContact CG-CG 4.36Å; W42-E46 HydrophobicContact CH2-CG 4.37Å; W42-E46 HydrophobicContact CZ2-CG 3.72Å; W42-E46 WeakPolarHBondContact O-CG 3.24Å; W42-E46 PolarHBondContact O-N 3.47Å; S43-E46 PolarHBondContact O-N 3.24Å; E46-F48 PolarHBondContact O-N 3.05Å; E46-R49 WeakPolarHBondContact O-CB 3.33Å; E46-R49 PolarHBondContact O-N 2.91Å; E46-R49 VanDerWaalsContact O-N 3.14Å; E46-L50 PolarHBondContact O-N 2.83Å
47N89.7Confident89.3Confident98 Ų9891.7 Ų91.752%0.52449%0.485SS..Hα-helixtrans-59.8-43.2174-79.5-43.4000112.5S43 V44 K45 R49 L50S43-N47 PolarHBondContact O-N 3.38Å; S43-N47 PolarHBondContact O-ND2 2.97Å; V44-N47 PolarHBondContact O-N 3.4Å; K45-N47 VanDerWaalsContact C-N 3.32Å; K45-N47 PolarHBondContact O-N 3.12Å; N47-R49 VanDerWaalsContact C-N 3.31Å; N47-R49 PolarHBondContact O-N 3.08Å; N47-L50 WeakPolarHBondContact O-CB 3.4Å; N47-L50 PolarHBondContact O-N 3.27Å
48F92.4Very high88.4Confident137 Ų13789.9 Ų89.960%0.60148%0.48SS*.Hα-helixtrans-66.2-31.8175.6-82.4-67.5000113V44 K45 E46 L50 L51V44-F48 HydrophobicContact CG1-CD2 3.83Å; V44-F48 HydrophobicContact CG1-CE2 3.67Å; V44-F48 VanDerWaalsContact O-CD2 3.26Å; V44-F48 WeakPolarHBondContact O-CD2 3.45Å; V44-F48 PolarHBondContact O-N 2.85Å; V44-F48 VanDerWaalsContact O-N 3.1Å; K45-F48 PolarHBondContact O-N 3.24Å; E46-F48 PolarHBondContact O-N 3.05Å; F48-L50 PolarHBondContact O-N 3.46Å; F48-L51 HydrophobicContact CD1-CD1 4.02Å; F48-L51 WeakPolarHBondContact O-CB 3.44Å; F48-L51 PolarHBondContact O-N 3.13Å; F48-L51 VanDerWaalsContact O-N 3.1Å
49R89.7Confident87.7Confident101 Ų10190 Ų9038%0.38148%0.481SS..Hα-helixtrans-65.4-24.1177.5-68.317994.6101.52.1112.7R23 K45 E46 N47 L51 L52 H53R23-R49 VanDerWaalsContact CZ-CD 3.48Å; R23-R49 VanDerWaalsContact CZ-CZ 3.42Å; R23-R49 VanDerWaalsContact NH2-CD 3.28Å; R23-R49 VanDerWaalsContact NH2-NE 3.19Å; K45-R49 WeakPolarHBondContact O-CG 3.5Å; K45-R49 PolarHBondContact O-N 3.17Å; E46-R49 WeakPolarHBondContact O-CB 3.33Å; E46-R49 PolarHBondContact O-N 2.91Å; E46-R49 VanDerWaalsContact O-N 3.14Å; N47-R49 VanDerWaalsContact C-N 3.31Å; N47-R49 PolarHBondContact O-N 3.08Å; R49-L51 PolarHBondContact O-N 3.33Å; R49-L52 WeakPolarHBondContact O-CB 3.39Å; R49-L52 PolarHBondContact O-N 2.93Å; R49-H53 PolarHBondContact O-CD2 3.24Å
50L86.9Confident87.2Confident84 Ų8489.4 Ų89.444%0.4448%0.476SS..G310 helixtrans-59.3-26.4172.9-60.6176.7000112.5E46 N47 F48 L52 H53E46-L50 PolarHBondContact O-N 2.83Å; N47-L50 WeakPolarHBondContact O-CB 3.4Å; N47-L50 PolarHBondContact O-N 3.27Å; F48-L50 PolarHBondContact O-N 3.46Å; L50-L52 PolarHBondContact O-N 2.91Å; L50-H53 WeakPolarHBondContact O-CB 3.48Å; L50-H53 PolarHBondContact O-N 3.2Å; L50-H53 VanDerWaalsContact O-N 3.13Å
51L88.3Confident86.9Confident140 Ų14082.4 Ų82.473%0.73345%0.45SS*.G310 helixtrans-66.8-23.6174.2-61.3175.7000113F48 R49 H53F48-L51 HydrophobicContact CD1-CD1 4.02Å; F48-L51 WeakPolarHBondContact O-CB 3.44Å; F48-L51 PolarHBondContact O-N 3.13Å; F48-L51 VanDerWaalsContact O-N 3.1Å; R49-L51 PolarHBondContact O-N 3.33Å; L51-H53 VanDerWaalsContact C-N 3.33Å
52L88.4Confident86.5Confident142 Ų14283.1 Ų83.174%0.74347%0.466SS*.G310 helixtrans-85.4-12176.7-54.6176.8000111.8R49 L50R49-L52 WeakPolarHBondContact O-CB 3.39Å; R49-L52 PolarHBondContact O-N 2.93Å; L50-L52 PolarHBondContact O-N 2.91Å
53H80.7Confident86.1Confident91 Ų9183.2 Ų83.242%0.42148%0.477SS..  trans-80.7124.3176.6-65-170.8000108.7R49 L50 L51 T55R49-H53 PolarHBondContact O-CD2 3.24Å; L50-H53 WeakPolarHBondContact O-CB 3.48Å; L50-H53 PolarHBondContact O-N 3.2Å; L50-H53 VanDerWaalsContact O-N 3.13Å; L51-H53 VanDerWaalsContact C-N 3.33Å; H53-T55 PolarHBondContact O-N 3.41Å
54G75.3Confident86.1Confident85 Ų8583.5 Ų83.588%0.87648%0.479SS*.SBendtrans-71.3-9.1177.200000114.2
55T77.3Confident86Confident118 Ų11881.3 Ų81.372%0.72447%0.466SS*.SBendtrans-139.6144.1179.455.90000110.9H53H53-T55 PolarHBondContact O-N 3.41Å
56V78.6Confident86.1Confident112 Ų11280.3 Ų80.368%0.67947%0.471SS*.  trans-70.5131.4174.7-174.10000109.2S58 L76V56-S58 PolarHBondContact O-N 3.12Å; V56-L76 HydrophobicContact CB-CD2 4.38Å; V56-L76 HydrophobicContact CG1-CD2 3.71Å
57R76.7Confident86.3Confident69 Ų6980.5 Ų80.526%0.2648%0.477SS..  trans-6798.8174.8-74.7-16866-165.30.9110.3D59 D60R57-D59 VanDerWaalsContact C-N 3.25Å; R57-D59 IonicContact NE-OD1 2.72Å; R57-D59 IonicContact NH2-OD1 3.67Å; R57-D59 IonicContact NH2-OD2 2.72Å; R57-D59 PolarHBondContact NH2-OD2 3.31Å; R57-D59 PolarHBondContact O-N 3.19Å; R57-D60 HydrophobicContact CB-CB 4.15Å; R57-D60 PolarHBondContact O-N 3.25Å
58S76.7Confident86.5Confident52 Ų5280.5 Ų80.536%0.36448%0.481SS..THydrogen-bonded Turntrans-75.2-18.8-172.2112.40000113R2 V56R2-S58 PolarHBondContact NH1-O 3.07Å; R2-S58 PolarHBondContact NH1-OG 3.22Å; R2-S58 PolarHBondContact NH2-OG 3.33Å; V56-S58 PolarHBondContact O-N 3.12Å
59D80.8Confident86.6Confident67 Ų6778.7 Ų78.736%0.35848%0.478SS..THydrogen-bonded Turntrans-93.1-7.2-179.966.6-41.3000113.7P8 R57P8-D59 WeakPolarHBondContact CB-O 3.42Å; R57-D59 VanDerWaalsContact C-N 3.25Å; R57-D59 IonicContact NE-OD1 2.72Å; R57-D59 IonicContact NH2-OD1 3.67Å; R57-D59 IonicContact NH2-OD2 2.72Å; R57-D59 PolarHBondContact NH2-OD2 3.31Å; R57-D59 PolarHBondContact O-N 3.19Å
60D84.6Confident87Confident44 Ų4474.2 Ų74.224%0.23546%0.462CS..  trans-81.2133.6172.9-161-24.8000109.9R57 G62R57-D60 HydrophobicContact CB-CB 4.15Å; R57-D60 PolarHBondContact O-N 3.25Å; D60-G62 VanDerWaalsContact C-N 3.34Å; D60-G62 PolarHBondContact OD1-N 3.28Å
61F90.7Very high87.4Confident17 Ų1772.9 Ų72.98%0.07545%0.451CS..  trans-82.8-18.7179.5-78.724.1000110.9N4 F7 P8 G63 W71 T80N4-F61 HydrophobicContact CB-CD1 3.74Å; N4-F61 HydrophobicContact CB-CD2 4.22Å; N4-F61 HydrophobicContact CB-CE1 3.42Å; N4-F61 VanDerWaalsContact CB-CE1 3.42Å; N4-F61 HydrophobicContact CB-CE2 3.91Å; N4-F61 HydrophobicContact CB-CG 4.15Å; N4-F61 HydrophobicContact CB-CZ 3.52Å; F7-F61 VanDerWaalsContact C-CE2 3.46Å; F7-F61 WeakPolarHBondContact O-CZ 3.25Å; P8-F61 HydrophobicContact CB-CD1 4.17Å; P8-F61 HydrophobicContact CB-CE1 4.31Å; P8-F61 HydrophobicContact CG-CB 3.96Å; P8-F61 HydrophobicContact CG-CD1 3.74Å; P8-F61 HydrophobicContact CG-CD2 4.11Å; P8-F61 HydrophobicContact CG-CE1 4.21Å; P8-F61 HydrophobicContact CG-CG 3.67Å; F61-G63 PolarHBondContact O-N 3.02Å; F61-W71 HydrophobicContact CB-CZ2 4.24Å; F61-W71 VanDerWaalsContact O-CE2 3.29Å; F61-W71 WeakPolarHBondContact O-CZ2 3.43Å; F61-W71 PolarHBondContact O-NE1 3.43Å; F61-T80 HydrophobicContact CB-CG2 3.88Å; F61-T80 HydrophobicContact CD2-CG2 3.43Å; F61-T80 VanDerWaalsContact CD2-CG2 3.43Å; F61-T80 HydrophobicContact CE2-CG2 4.12Å; F61-T80 HydrophobicContact CG-CG2 3.74Å
62G86.7Confident87.8Confident71 Ų7167.7 Ų67.773%0.73242%0.422SS*.SBendtrans7412.1-177.800000114D60D60-G62 VanDerWaalsContact C-N 3.34Å; D60-G62 PolarHBondContact OD1-N 3.28Å
63G90.2Very high88.1Confident33 Ų3363.6 Ų63.634%0.3440%0.401SS..SBendtrans-165.9168.8-178.800000111.7F61F61-G63 PolarHBondContact O-N 3.02Å
64S93.1Very high88.8Confident57 Ų5760.7 Ų60.740%0.39939%0.39SS..  trans-67.4136.9-178.7-177.90000111.6T66 A67S64-T66 PolarHBondContact O-N 3.4Å; S64-T66 VanDerWaalsContact O-N 3.16Å; S64-T66 PolarHBondContact OG-N 3.39Å; S64-T66 PolarHBondContact OG-OG1 3.36Å; S64-A67 WeakPolarHBondContact O-CB 3.47Å; S64-A67 PolarHBondContact O-N 3.13Å; S64-A67 VanDerWaalsContact O-N 3.13Å
65P94.4Very high89.5Confident33 Ų3360 Ų6021%0.21437%0.372CS..THydrogen-bonded Turntrans-63.8-16.117128-35.6000113.2F7 I11 P82 A83 G84F7-P65 HydrophobicContact CB-CB 3.61Å; F7-P65 HydrophobicContact CB-CG 4.39Å; I11-P65 HydrophobicContact CD1-CG 4.05Å; P65-P82 WeakPolarHBondContact O-CB 3.49Å; P65-A83 WeakPolarHBondContact O-CB 3.31Å; P65-A83 PolarHBondContact O-N 3.28Å; P65-G84 PolarHBondContact O-N 3.38Å
66T95.9Very high90.2Very high109 Ų10956.2 Ų56.267%0.66935%0.347SS*.THydrogen-bonded Turntrans-92.8-0.6177.462.30000113.7S64 T68S64-T66 PolarHBondContact O-N 3.4Å; S64-T66 VanDerWaalsContact O-N 3.16Å; S64-T66 PolarHBondContact OG-N 3.39Å; S64-T66 PolarHBondContact OG-OG1 3.36Å; T66-T68 PolarHBondContact O-N 3.35Å
67A96.2Very high91Very high30 Ų3051.8 Ų51.825%0.24832%0.32CS..  trans-64.4133.4177.600000111.2S64 N69 W71 P82 G84 E85S64-A67 WeakPolarHBondContact O-CB 3.47Å; S64-A67 PolarHBondContact O-N 3.13Å; S64-A67 VanDerWaalsContact O-N 3.13Å; A67-N69 PolarHBondContact O-N 3.13Å; A67-W71 HydrophobicContact CB-CZ3 4.34Å; A67-P82 HydrophobicContact CB-CG 4.36Å; A67-P82 WeakPolarHBondContact O-CB 3.48Å; A67-G84 CarbonylContact O-C 3.58Å; A67-G84 WeakPolarHBondContact O-CA 3.17Å; A67-E85 PolarHBondContact O-N 3.15Å
68T93.8Very high91.9Very high98 Ų9848.6 Ų48.660%0.60131%0.308SS*.SBendtrans-87.267166.456.30000108.3T66 G84 E85T66-T68 PolarHBondContact O-N 3.35Å; T68-G84 WeakPolarHBondContact CG2-O 3.08Å; T68-E85 VanDerWaalsContact CA-OE2 3.3Å; T68-E85 WeakPolarHBondContact CA-OE2 3.39Å
69N94Very high92.8Very high100 Ų10046.6 Ų46.654%0.53529%0.293SS..  trans-157.8165.7175.2-157.44000109.4A67 P82 E85A67-N69 PolarHBondContact O-N 3.13Å; N69-P82 WeakPolarHBondContact O-CD 3.31Å; N69-P82 WeakPolarHBondContact O-CG 3.37Å; N69-E85 WeakPolarHBondContact CA-OE2 3.26Å; N69-E85 PolarHBondContact N-OE2 2.94Å
70A96.8Very high93.6Very high7 Ų743.4 Ų43.46%0.05828%0.276CS..  trans-125.3162.816900000110T80 L81 I107 E111A70-T80 WeakPolarHBondContact CA-O 3.11Å; A70-L81 HydrophobicContact CB-CD2 3.82Å; A70-I107 HydrophobicContact CB-CG2 3.71Å; A70-E111 HydrophobicContact CB-CG 3.72Å; A70-E111 WeakPolarHBondContact CB-OE1 3.38Å
71W96.7Very high94.2Very high55 Ų5541.8 Ų41.821%0.20827%0.267CS..EExtended strand (participates in β ladder)trans-155.9150.9175.557.293.3000113.9F61 A67 T80 P82 E111F61-W71 HydrophobicContact CB-CZ2 4.24Å; F61-W71 VanDerWaalsContact O-CE2 3.29Å; F61-W71 WeakPolarHBondContact O-CZ2 3.43Å; F61-W71 PolarHBondContact O-NE1 3.43Å; A67-W71 HydrophobicContact CB-CZ3 4.34Å; W71-T80 HydrophobicContact CD2-CG2 4.35Å; W71-T80 HydrophobicContact CH2-CG2 4.11Å; W71-T80 HydrophobicContact CZ2-CG2 3.47Å; W71-T80 VanDerWaalsContact CZ2-CG2 3.47Å; W71-T80 PolarHBondContact N-O 2.05Å; W71-T80 PolarHBondContact NE1-OG1 3.18Å; W71-T80 PolarHBondContact O-N 3.47Å; W71-P82 HydrophobicContact CE3-CG 4.28Å; W71-P82 HydrophobicContact CH2-CG 3.38Å; W71-P82 HydrophobicContact CZ2-CG 4.37Å; W71-P82 HydrophobicContact CZ3-CG 3.32Å; W71-E111 WeakPolarHBondContact CA-OE2 3.38Å
72Y97Very high94.5Very high31 Ų3141 Ų4112%0.12226%0.264CS..EExtended strand (participates in β ladder)trans-102138.8165.4174.3-107.3000111.2M1 P74 S78 I79 E111 H114 A115M1-Y72 HydrophobicContact CE-CD2 4.39Å; M1-Y72 HydrophobicContact CE-CE2 4.03Å; Y72-P74 VanDerWaalsContact CE1-CA 3.45Å; Y72-P74 HydrophobicContact CE1-CB 3.79Å; Y72-P74 HydrophobicContact CE1-CG 4.48Å; Y72-S78 CarbonylContact C-O 3.51Å; Y72-S78 VanDerWaalsContact CA-O 3.32Å; Y72-S78 WeakPolarHBondContact CA-O 3.4Å; Y72-S78 WeakPolarHBondContact CD2-O 3.43Å; Y72-I79 HydrophobicContact CD2-CG2 3.93Å; Y72-E111 PolarHBondContact N-OE2 2.9Å; Y72-H114 HydrophobicContact CD1-CB 3.61Å; Y72-H114 HydrophobicContact CE1-CB 4.49Å; Y72-H114 HydrophobicContact CG-CB 3.8Å; Y72-A115 HydrophobicContact CD2-CB 4.45Å; Y72-A115 HydrophobicContact CE1-CB 4.14Å; Y72-A115 HydrophobicContact CE2-CB 3.71Å; Y72-A115 VanDerWaalsContact CZ-CA 3.44Å; Y72-A115 WeakPolarHBondContact OH-CA 3.11Å; Y72-A115 WeakPolarHBondContact OH-CB 3.16Å
73N94.4Very high95Very high57 Ų5739.9 Ų39.931%0.30525%0.247SC..EExtended strand (participates in β ladder)trans-115113.9170.6-175.4-41.2000109.8S75 L76 N77 S78N73-S75 PolarHBondContact OD1-N 3.18Å; N73-L76 HydrophobicContact CB-CB 4.2Å; N73-L76 PolarHBondContact O-N 3.33Å; N73-L76 PolarHBondContact OD1-N 3Å; N73-L76 VanDerWaalsContact OD1-N 3.13Å; N73-N77 WeakPolarHBondContact O-CA 3.42Å; N73-N77 PolarHBondContact O-N 3.46Å; N73-S78 PolarHBondContact N-O 3.24Å; N73-S78 PolarHBondContact O-N 3.12Å; N73-S78 VanDerWaalsContact O-N 3.13Å
74P94.3Very high95.3Very high30 Ų3038.7 Ų38.720%0.19524%0.235CC..THydrogen-bonded Turntrans-64-44.6-178.521.9-30.7000113.2Y72 L76 N77 Y123 G127Y72-P74 VanDerWaalsContact CE1-CA 3.45Å; Y72-P74 HydrophobicContact CE1-CB 3.79Å; Y72-P74 HydrophobicContact CE1-CG 4.48Å; P74-L76 PolarHBondContact O-N 3.4Å; P74-N77 PolarHBondContact O-N 3.02Å; P74-Y123 HydrophobicContact CB-CD1 4.09Å; P74-Y123 HydrophobicContact CB-CD2 3.5Å; P74-Y123 HydrophobicContact CB-CE1 4.28Å; P74-Y123 HydrophobicContact CB-CE2 3.71Å; P74-Y123 HydrophobicContact CB-CG 3.7Å; P74-Y123 HydrophobicContact CG-CD2 4.38Å; P74-Y123 HydrophobicContact CG-CE2 4.1Å; P74-G127 WeakPolarHBondContact O-CA 3.38Å
75S91.3Very high95.4Very high69 Ų6936.5 Ų36.548%0.48322%0.219SC..THydrogen-bonded Turntrans-67.9-20.7-178-53.80000113.8N73N73-S75 PolarHBondContact OD1-N 3.18Å
76L92.3Very high95.5Very high40 Ų4037.2 Ų37.221%0.20922%0.22CC..THydrogen-bonded Turntrans-101.8-5.1173.1-68.5-179.6000113.2V56 N73 P74 S78V56-L76 HydrophobicContact CB-CD2 4.38Å; V56-L76 HydrophobicContact CG1-CD2 3.71Å; N73-L76 HydrophobicContact CB-CB 4.2Å; N73-L76 PolarHBondContact O-N 3.33Å; N73-L76 PolarHBondContact OD1-N 3Å; N73-L76 VanDerWaalsContact OD1-N 3.13Å; P74-L76 PolarHBondContact O-N 3.4Å; L76-S78 WeakPolarHBondContact CB-OG 3.49Å; L76-S78 PolarHBondContact O-N 2.94Å
77N94.8Very high95.5Very high19 Ų1936.3 Ų36.310%0.10221%0.208CC..THydrogen-bonded Turntrans38.754.9-166.4-173.712.3000111.1M1 R2 N73 P74 E125M1-N77 CarbonylContact C-O 3.15Å; M1-N77 WeakPolarHBondContact CA-O 3.27Å; M1-N77 PolarHBondContact N-ND2 2.77Å; R2-N77 PolarHBondContact N-O 3.29Å; N73-N77 WeakPolarHBondContact O-CA 3.42Å; N73-N77 PolarHBondContact O-N 3.46Å; P74-N77 PolarHBondContact O-N 3.02Å; N77-E125 PolarHBondContact ND2-O 2.73Å
78S95.1Very high95.4Very high2 Ų238.1 Ų38.11%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-129.6141.7-172.168.20000112.4R2 Y72 N73 L76R2-S78 WeakPolarHBondContact O-CA 3.13Å; Y72-S78 CarbonylContact C-O 3.51Å; Y72-S78 VanDerWaalsContact CA-O 3.32Å; Y72-S78 WeakPolarHBondContact CA-O 3.4Å; Y72-S78 WeakPolarHBondContact CD2-O 3.43Å; N73-S78 PolarHBondContact N-O 3.24Å; N73-S78 PolarHBondContact O-N 3.12Å; N73-S78 VanDerWaalsContact O-N 3.13Å; L76-S78 WeakPolarHBondContact CB-OG 3.49Å; L76-S78 PolarHBondContact O-N 2.94Å
79I96.4Very high95.4Very high9 Ų936.8 Ų36.85%0.04621%0.211CC..EExtended strand (participates in β ladder)trans-104.3140.4166.260.2169.2000109.3M1 R2 R3 N4 Y72 I108 E111 M112M1-I79 HydrophobicContact CE-CG2 4.24Å; M1-I79 HydrophobicContact CG-CG2 4.28Å; M1-I79 HydrophobicContact SD-CB 4.48Å; M1-I79 HydrophobicContact SD-CD1 4.32Å; M1-I79 HydrophobicContact SD-CG1 4.21Å; M1-I79 HydrophobicContact SD-CG2 3.55Å; M1-I79 VanDerWaalsContact SD-CG2 3.55Å; R2-I79 PolarHBondContact O-N 2.76Å; R3-I79 HydrophobicContact CG-CD1 4.42Å; R3-I79 HydrophobicContact CG-CG1 4.32Å; N4-I79 PolarHBondContact N-O 2.66Å; Y72-I79 HydrophobicContact CD2-CG2 3.93Å; I79-I108 HydrophobicContact CD1-CG2 4.34Å; I79-E111 HydrophobicContact CB-CB 4.07Å; I79-E111 HydrophobicContact CG2-CB 3.65Å; I79-M112 HydrophobicContact CD1-CG 4.2Å
80T97Very high95.4Very high1 Ų133.5 Ų33.51%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-125.6125.7-179.9-56.10000111N4 F61 A70 W71N4-T80 HydrophobicContact CB-CG2 3.88Å; N4-T80 WeakPolarHBondContact CB-OG1 3.19Å; N4-T80 PolarHBondContact ND2-OG1 3.37Å; N4-T80 CarbonylContact O-C 3.57Å; N4-T80 WeakPolarHBondContact O-CA 3.26Å; F61-T80 HydrophobicContact CB-CG2 3.88Å; F61-T80 HydrophobicContact CD2-CG2 3.43Å; F61-T80 VanDerWaalsContact CD2-CG2 3.43Å; F61-T80 HydrophobicContact CE2-CG2 4.12Å; F61-T80 HydrophobicContact CG-CG2 3.74Å; A70-T80 WeakPolarHBondContact CA-O 3.11Å; W71-T80 HydrophobicContact CD2-CG2 4.35Å; W71-T80 HydrophobicContact CH2-CG2 4.11Å; W71-T80 HydrophobicContact CZ2-CG2 3.47Å; W71-T80 VanDerWaalsContact CZ2-CG2 3.47Å; W71-T80 PolarHBondContact N-O 2.05Å; W71-T80 PolarHBondContact NE1-OG1 3.18Å; W71-T80 PolarHBondContact O-N 3.47Å
81L96.9Very high95.4Very high10 Ų1037.7 Ų37.75%0.05221%0.206CC..EExtended strand (participates in β ladder)trans-120.193.9175.9-60.6168.6000107.9N4 V5 G6 A70 I86 I107 I108N4-L81 PolarHBondContact O-N 3.2Å; V5-L81 CarbonylContact C-O 3.57Å; V5-L81 WeakPolarHBondContact CA-O 3.4Å; G6-L81 PolarHBondContact N-O 2.99Å; A70-L81 HydrophobicContact CB-CD2 3.82Å; L81-I86 HydrophobicContact CB-CD1 4.26Å; L81-I86 HydrophobicContact CB-CG1 4.5Å; L81-I107 HydrophobicContact CD2-CG2 4.26Å; L81-I108 HydrophobicContact CD1-CD1 3.78Å; L81-I108 HydrophobicContact CD1-CG1 3.55Å; L81-I108 HydrophobicContact CD2-CG1 4.11Å; L81-I108 HydrophobicContact CG-CG1 4.44Å
82P96.9Very high95.4Very high0 Ų039.4 Ų39.40%022%0.216CC..EExtended strand (participates in β ladder)trans-59.6156.7175.1-20.733.3000112.1G6 P65 A67 N69 W71 G84 E85 I86G6-P82 CarbonylContact O-C 3.37Å; G6-P82 WeakPolarHBondContact O-CA 3.45Å; P65-P82 WeakPolarHBondContact O-CB 3.49Å; A67-P82 HydrophobicContact CB-CG 4.36Å; A67-P82 WeakPolarHBondContact O-CB 3.48Å; N69-P82 WeakPolarHBondContact O-CD 3.31Å; N69-P82 WeakPolarHBondContact O-CG 3.37Å; W71-P82 HydrophobicContact CE3-CG 4.28Å; W71-P82 HydrophobicContact CH2-CG 3.38Å; W71-P82 HydrophobicContact CZ2-CG 4.37Å; W71-P82 HydrophobicContact CZ3-CG 3.32Å; P82-G84 PolarHBondContact O-N 2.93Å; P82-E85 PolarHBondContact O-N 3.07Å; P82-I86 WeakPolarHBondContact O-CG1 3.4Å
83A96.8Very high95.2Very high47 Ų4740.2 Ų40.239%0.38823%0.233SC..THydrogen-bonded Turntrans-58.6-31.5174.600000112.2G6 P65 E85 I86G6-A83 PolarHBondContact O-N 3.38Å; P65-A83 WeakPolarHBondContact O-CB 3.31Å; P65-A83 PolarHBondContact O-N 3.28Å; A83-E85 PolarHBondContact O-N 3.48Å; A83-I86 PolarHBondContact O-N 3.38Å
84G96.7Very high95.2Very high8 Ų842.7 Ų42.78%0.08225%0.247CC..THydrogen-bonded Turntrans-62.6-22.9174.300000114.6P65 A67 T68 P82 Q87P65-G84 PolarHBondContact O-N 3.38Å; A67-G84 CarbonylContact O-C 3.58Å; A67-G84 WeakPolarHBondContact O-CA 3.17Å; T68-G84 WeakPolarHBondContact CG2-O 3.08Å; P82-G84 PolarHBondContact O-N 2.93Å; G84-Q87 WeakPolarHBondContact O-CG 3.31Å; G84-Q87 PolarHBondContact O-NE2 2.82Å
85E95.8Very high95.2Very high12 Ų1244.4 Ų44.46%0.05625%0.25CC..THydrogen-bonded Turntrans-87.9-24175.1-164.563.3-167.300112A67 T68 N69 P82 A83 Q87 F90 I107A67-E85 PolarHBondContact O-N 3.15Å; T68-E85 VanDerWaalsContact CA-OE2 3.3Å; T68-E85 WeakPolarHBondContact CA-OE2 3.39Å; N69-E85 WeakPolarHBondContact CA-OE2 3.26Å; N69-E85 PolarHBondContact N-OE2 2.94Å; P82-E85 PolarHBondContact O-N 3.07Å; A83-E85 PolarHBondContact O-N 3.48Å; E85-Q87 PolarHBondContact O-N 3.16Å; E85-F90 WeakPolarHBondContact O-CD2 3.46Å; E85-I107 WeakPolarHBondContact OE1-CD1 3.27Å
86I96.1Very high95.4Very high48 Ų4842.4 Ų42.425%0.24624%0.235CC..SBendtrans-91.156.5-173.4-49.1165.3000110.2V5 L81 P82 A83 Y91 L104V5-I86 HydrophobicContact CG1-CD1 3.57Å; L81-I86 HydrophobicContact CB-CD1 4.26Å; L81-I86 HydrophobicContact CB-CG1 4.5Å; P82-I86 WeakPolarHBondContact O-CG1 3.4Å; A83-I86 PolarHBondContact O-N 3.38Å; I86-Y91 HydrophobicContact CG2-CD1 3.66Å; I86-Y91 HydrophobicContact CG2-CE1 4.29Å; I86-Y91 HydrophobicContact CG2-CG 3.94Å; I86-L104 HydrophobicContact CG2-CD2 4.48Å
87Q95.6Very high95.7Very high90 Ų9043.2 Ų43.242%0.42124%0.237SC..SBendtrans-144.2169.2178.964.4177.4-38.400110.7G84 E85 F90 Y91G84-Q87 WeakPolarHBondContact O-CG 3.31Å; G84-Q87 PolarHBondContact O-NE2 2.82Å; E85-Q87 PolarHBondContact O-N 3.16Å; Q87-F90 WeakPolarHBondContact O-CA 3.4Å; Q87-F90 WeakPolarHBondContact O-CB 3.46Å; Q87-F90 PolarHBondContact O-N 3.17Å; Q87-Y91 CarbonylContact C-O 3.26Å; Q87-Y91 PolarHBondContact O-N 3.15Å
88P95.5Very high95.8Very high68 Ų6842.3 Ų42.344%0.44223%0.232SC..THydrogen-bonded Turntrans-54.8140.5171.8-28.437.6000111.9Y91 K92P88-Y91 VanDerWaalsContact CD-O 3.26Å; P88-Y91 WeakPolarHBondContact CD-O 3.37Å; P88-Y91 VanDerWaalsContact N-O 3.13Å; P88-K92 HydrophobicContact CG-CB 4.32Å; P88-K92 HydrophobicContact CG-CD 4.44Å; P88-K92 HydrophobicContact CG-CG 4.4Å
89P92.9Very high95.9Very high70 Ų7043.2 Ų43.246%0.45524%0.237SC..THydrogen-bonded Turncis-84.2-5.96.934.7-36.4000114.8
90F95Very high95.9Very high31 Ų3143.9 Ų43.914%0.13624%0.241CC..THydrogen-bonded Turntrans-75.3-36.3-173.1-50.3-69.2000113.7E85 Q87 T103 L104 I107 F219E85-F90 WeakPolarHBondContact O-CD2 3.46Å; Q87-F90 WeakPolarHBondContact O-CA 3.4Å; Q87-F90 WeakPolarHBondContact O-CB 3.46Å; Q87-F90 PolarHBondContact O-N 3.17Å; F90-T103 PolarHBondContact O-OG1 2.67Å; F90-L104 HydrophobicContact CB-CB 4.31Å; F90-L104 WeakPolarHBondContact O-CB 3.43Å; F90-I107 HydrophobicContact CB-CD1 4.49Å; F90-I107 HydrophobicContact CD1-CD1 3.35Å; F90-I107 HydrophobicContact CE1-CD1 3.62Å; F90-I107 HydrophobicContact CG-CD1 4Å; F90-I107 HydrophobicContact CZ-CD1 4.46Å; F90-F219 HydrophobicContact CD1-CB 4.26Å; F90-F219 HydrophobicContact CD1-CG 4.36Å; F90-F219 HydrophobicContact CE1-CB 3.67Å; F90-F219 AromaticContact CE1-CD2 3.66Å; F90-F219 HydrophobicContact CE1-CD2 3.66Å; F90-F219 HydrophobicContact CE1-CE2 4.39Å; F90-F219 AromaticContact CE1-CG 3.79Å; F90-F219 HydrophobicContact CE1-CG 3.79Å
91Y96.4Very high96Very high94 Ų9446 Ų4637%0.36925%0.25SS..  trans-148.5130.7-177.4-178-96.6000113.1I86 Q87 P88 I100 L104I86-Y91 HydrophobicContact CG2-CD1 3.66Å; I86-Y91 HydrophobicContact CG2-CE1 4.29Å; I86-Y91 HydrophobicContact CG2-CG 3.94Å; Q87-Y91 CarbonylContact C-O 3.26Å; Q87-Y91 PolarHBondContact O-N 3.15Å; P88-Y91 VanDerWaalsContact CD-O 3.26Å; P88-Y91 WeakPolarHBondContact CD-O 3.37Å; P88-Y91 VanDerWaalsContact N-O 3.13Å; Y91-I100 HydrophobicContact CD2-CD1 4.4Å; Y91-I100 HydrophobicContact CD2-CG2 4.1Å; Y91-I100 HydrophobicContact CE2-CD1 4.29Å; Y91-I100 HydrophobicContact CE2-CG2 4.48Å; Y91-L104 HydrophobicContact CD2-CD2 3.91Å; Y91-L104 HydrophobicContact CG-CD2 4.14Å
92K95.9Very high96Very high92 Ų9245.6 Ų45.640%0.425%0.248SC..  trans-147.2138.9161.5-156.4-175.1168.4-136.20107.3P88 D94 Y95P88-K92 HydrophobicContact CG-CB 4.32Å; P88-K92 HydrophobicContact CG-CD 4.44Å; P88-K92 HydrophobicContact CG-CG 4.4Å; K92-D94 WeakPolarHBondContact CD-OD1 3.19Å; K92-D94 VanDerWaalsContact CE-OD1 3.25Å; K92-D94 WeakPolarHBondContact CE-OD1 3.02Å; K92-D94 WeakPolarHBondContact CG-OD1 3.07Å; K92-D94 IonicContact NZ-OD1 3.06Å; K92-D94 PolarHBondContact NZ-OD1 3.12Å; K92-D94 VanDerWaalsContact NZ-OD1 3.16Å; K92-D94 IonicContact NZ-OD2 3.16Å; K92-D94 PolarHBondContact NZ-OD2 3.46Å; K92-D94 PolarHBondContact O-N 3.06Å; K92-D94 VanDerWaalsContact O-N 3.12Å; K92-Y95 HydrophobicContact CB-CD1 3.64Å; K92-Y95 HydrophobicContact CB-CD2 3.75Å; K92-Y95 HydrophobicContact CB-CE1 3.63Å; K92-Y95 HydrophobicContact CB-CE2 3.71Å; K92-Y95 HydrophobicContact CB-CG 3.71Å; K92-Y95 HydrophobicContact CD-CD1 4.07Å; K92-Y95 HydrophobicContact CD-CE1 3.55Å; K92-Y95 HydrophobicContact CG-CD1 4.44Å; K92-Y95 HydrophobicContact CG-CE1 4.23Å; K92-Y95 WeakPolarHBondContact O-CB 3.38Å; K92-Y95 PolarHBondContact O-N 3.1Å; K92-Y95 VanDerWaalsContact O-N 3.08Å
93G92.8Very high96Very high48 Ų4845.6 Ų45.650%0.49525%0.248SC..THydrogen-bonded Turntrans-59.3-28.8-171.200000114.5
94D94.2Very high96.1Very high109 Ų10944.1 Ų44.158%0.58323%0.233SC*.THydrogen-bonded Turntrans-95.63.3-178.562.6-16.5000114.1K92K92-D94 WeakPolarHBondContact CD-OD1 3.19Å; K92-D94 VanDerWaalsContact CE-OD1 3.25Å; K92-D94 WeakPolarHBondContact CE-OD1 3.02Å; K92-D94 WeakPolarHBondContact CG-OD1 3.07Å; K92-D94 IonicContact NZ-OD1 3.06Å; K92-D94 PolarHBondContact NZ-OD1 3.12Å; K92-D94 VanDerWaalsContact NZ-OD1 3.16Å; K92-D94 IonicContact NZ-OD2 3.16Å; K92-D94 PolarHBondContact NZ-OD2 3.46Å; K92-D94 PolarHBondContact O-N 3.06Å; K92-D94 VanDerWaalsContact O-N 3.12Å
95Y95.5Very high96.1Very high66 Ų6644.3 Ų44.326%0.25924%0.236SC..SBendtrans-69.7147.8172.8-75.1-4.8000111.6K92 K97 V99K92-Y95 HydrophobicContact CB-CD1 3.64Å; K92-Y95 HydrophobicContact CB-CD2 3.75Å; K92-Y95 HydrophobicContact CB-CE1 3.63Å; K92-Y95 HydrophobicContact CB-CE2 3.71Å; K92-Y95 HydrophobicContact CB-CG 3.71Å; K92-Y95 HydrophobicContact CD-CD1 4.07Å; K92-Y95 HydrophobicContact CD-CE1 3.55Å; K92-Y95 HydrophobicContact CG-CD1 4.44Å; K92-Y95 HydrophobicContact CG-CE1 4.23Å; K92-Y95 WeakPolarHBondContact O-CB 3.38Å; K92-Y95 PolarHBondContact O-N 3.1Å; K92-Y95 VanDerWaalsContact O-N 3.08Å; Y95-K97 PolarHBondContact O-N 2.77Å; Y95-V99 HydrophobicContact CD2-CG1 3.97Å; Y95-V99 HydrophobicContact CG-CG1 4.48Å
96P95.8Very high96.2Very high26 Ų2644 Ų4417%0.16923%0.234CC..  trans-52.9141.6168.5-21.330.3000110.2A98 V99 I100 L201 L211P96-A98 PolarHBondContact O-N 2.96Å; P96-V99 HydrophobicContact CB-CG2 4.16Å; P96-V99 HydrophobicContact CG-CG2 4.13Å; P96-V99 WeakPolarHBondContact O-CA 3.12Å; P96-V99 WeakPolarHBondContact O-CB 3.11Å; P96-V99 PolarHBondContact O-N 3.29Å; P96-I100 PolarHBondContact O-N 3.45Å; P96-I100 VanDerWaalsContact O-N 3.13Å; P96-L201 HydrophobicContact CG-CD2 3.78Å; P96-L201 HydrophobicContact CG-CG 4.42Å; P96-L211 HydrophobicContact CB-CD2 4.28Å; P96-L211 HydrophobicContact CG-CD2 4.35Å
97K97.3Very high96.3Very high57 Ų5742.4 Ų42.425%0.24823%0.226CC..Hα-helixtrans-61.7-31.1178.8-59.5-41.6172.8-150.60111.9Y95 V99 I100 F101 Y187 W190 E198Y95-K97 PolarHBondContact O-N 2.77Å; K97-V99 PolarHBondContact O-N 3.4Å; K97-I100 HydrophobicContact CD-CD1 4Å; K97-I100 PolarHBondContact O-N 3.48Å; K97-F101 HydrophobicContact CB-CD2 4.03Å; K97-F101 HydrophobicContact CB-CE2 4.19Å; K97-F101 WeakPolarHBondContact O-CB 3.44Å; K97-F101 VanDerWaalsContact O-CD2 3.25Å; K97-F101 WeakPolarHBondContact O-CD2 3.27Å; K97-F101 PolarHBondContact O-N 3.36Å; K97-Y187 HydrophobicContact CB-CE2 4.3Å; K97-W190 HydrophobicContact CB-CD2 4.15Å; K97-W190 HydrophobicContact CB-CE3 3.92Å; K97-W190 HydrophobicContact CB-CH2 4.01Å; K97-W190 HydrophobicContact CB-CZ2 4.23Å; K97-W190 HydrophobicContact CB-CZ3 3.85Å; K97-W190 HydrophobicContact CG-CD2 4.06Å; K97-W190 HydrophobicContact CG-CE3 4.16Å; K97-W190 HydrophobicContact CG-CH2 3.54Å; K97-W190 HydrophobicContact CG-CZ2 3.4Å; K97-W190 VanDerWaalsContact CG-CZ2 3.4Å; K97-W190 HydrophobicContact CG-CZ3 3.92Å; K97-E198 WeakPolarHBondContact CA-OE2 3.48Å; K97-E198 WeakPolarHBondContact CB-OE2 3.34Å; K97-E198 PolarHBondContact N-OE1 3.3Å; K97-E198 PolarHBondContact N-OE2 3.32Å
98A97.1Very high96.4Very high0 Ų040.5 Ų40.50%022%0.219CC..Hα-helixtrans-51.1-44.6169.500000112.3P96 G102 Y187 M208 L211 F212P96-A98 PolarHBondContact O-N 2.96Å; A98-G102 PolarHBondContact O-N 3.35Å; A98-Y187 HydrophobicContact CB-CE1 4.3Å; A98-Y187 HydrophobicContact CB-CE2 4.1Å; A98-M208 HydrophobicContact CB-CB 4.31Å; A98-M208 VanDerWaalsContact CB-O 3.31Å; A98-M208 WeakPolarHBondContact CB-O 3.03Å; A98-M208 HydrophobicContact CB-SD 4.16Å; A98-L211 HydrophobicContact CB-CB 4.27Å; A98-L211 HydrophobicContact CB-CD2 4.13Å; A98-L211 HydrophobicContact CB-CG 4.18Å; A98-F212 HydrophobicContact CB-CB 4.37Å; A98-F212 WeakPolarHBondContact O-CA 3.32Å
99V97Very high96.5Very high22 Ų2237.3 Ų37.313%0.13320%0.198CC..Hα-helixtrans-70-47.9178.9-179.40000111Y95 P96 K97 F101 G102 T103 L211Y95-V99 HydrophobicContact CD2-CG1 3.97Å; Y95-V99 HydrophobicContact CG-CG1 4.48Å; P96-V99 HydrophobicContact CB-CG2 4.16Å; P96-V99 HydrophobicContact CG-CG2 4.13Å; P96-V99 WeakPolarHBondContact O-CA 3.12Å; P96-V99 WeakPolarHBondContact O-CB 3.11Å; P96-V99 PolarHBondContact O-N 3.29Å; K97-V99 PolarHBondContact O-N 3.4Å; V99-F101 PolarHBondContact O-N 2.92Å; V99-G102 PolarHBondContact O-N 3Å; V99-T103 WeakPolarHBondContact O-CB 3.43Å; V99-T103 PolarHBondContact O-N 3.16Å; V99-T103 PolarHBondContact O-OG1 3.39Å; V99-L211 HydrophobicContact CG2-CD1 4.07Å; V99-L211 HydrophobicContact CG2-CD2 3.86Å; V99-L211 HydrophobicContact CG2-CG 3.9Å
100I97.5Very high96.8Very high22 Ų2234.6 Ų34.611%0.11318%0.179CC..Hα-helixtrans-62.5-45.7-178.3-61.9178.5000111.1Y91 P96 K97 L104 G105Y91-I100 HydrophobicContact CD2-CD1 4.4Å; Y91-I100 HydrophobicContact CD2-CG2 4.1Å; Y91-I100 HydrophobicContact CE2-CD1 4.29Å; Y91-I100 HydrophobicContact CE2-CG2 4.48Å; P96-I100 PolarHBondContact O-N 3.45Å; P96-I100 VanDerWaalsContact O-N 3.13Å; K97-I100 HydrophobicContact CD-CD1 4Å; K97-I100 PolarHBondContact O-N 3.48Å; I100-L104 PolarHBondContact O-N 3.42Å; I100-L104 VanDerWaalsContact O-N 3.14Å; I100-G105 PolarHBondContact O-N 2.68Å
101F98Very high96.9Very high47 Ų4733.6 Ų33.621%0.20618%0.175CC..Iπ-helixtrans-67.6-39.1176-80.3-77.8000111.4K97 V99 T103 G105 S106 A183 A186 Y187 W190 F212K97-F101 HydrophobicContact CB-CD2 4.03Å; K97-F101 HydrophobicContact CB-CE2 4.19Å; K97-F101 WeakPolarHBondContact O-CB 3.44Å; K97-F101 VanDerWaalsContact O-CD2 3.25Å; K97-F101 WeakPolarHBondContact O-CD2 3.27Å; K97-F101 PolarHBondContact O-N 3.36Å; V99-F101 PolarHBondContact O-N 2.92Å; F101-T103 VanDerWaalsContact C-N 3.33Å; F101-T103 PolarHBondContact O-N 3.26Å; F101-G105 CarbonylContact O-C 3.56Å; F101-G105 VanDerWaalsContact O-CA 3.25Å; F101-G105 WeakPolarHBondContact O-CA 3.31Å; F101-G105 PolarHBondContact O-N 3.16Å; F101-S106 PolarHBondContact O-N 3.2Å; F101-S106 PolarHBondContact O-OG 3.42Å; F101-A183 WeakPolarHBondContact O-CB 3.47Å; F101-A186 HydrophobicContact CD1-CB 4.03Å; F101-A186 HydrophobicContact CE1-CB 3.65Å; F101-Y187 HydrophobicContact CB-CD2 4.32Å; F101-Y187 HydrophobicContact CB-CG 4.25Å; F101-Y187 AromaticContact CD2-CD2 3.65Å; F101-Y187 HydrophobicContact CD2-CD2 3.65Å; F101-Y187 HydrophobicContact CD2-CG 4.25Å; F101-Y187 HydrophobicContact CE2-CD2 4.29Å; F101-Y187 HydrophobicContact CG-CD2 4.22Å; F101-Y187 HydrophobicContact CG-CG 4.38Å; F101-W190 HydrophobicContact CE2-CB 3.78Å; F101-W190 HydrophobicContact CE2-CD2 4.38Å; F101-W190 AromaticContact CE2-CG 3.84Å; F101-W190 HydrophobicContact CE2-CG 3.84Å; F101-W190 HydrophobicContact CZ-CB 3.89Å; F101-W190 HydrophobicContact CZ-CG 4.23Å; F101-F212 VanDerWaalsContact C-CE2 3.44Å; F101-F212 HydrophobicContact CB-CD2 3.96Å; F101-F212 HydrophobicContact CB-CE2 3.83Å
102G97.8Very high97Very high0 Ų032.7 Ų32.70%018%0.175CC..Iπ-helixtrans-64.5-35.3178.700000113.5A98 V99 S106 F212 F216A98-G102 PolarHBondContact O-N 3.35Å; V99-G102 PolarHBondContact O-N 3Å; G102-S106 VanDerWaalsContact O-CB 3.28Å; G102-S106 WeakPolarHBondContact O-CB 3.39Å; G102-S106 PolarHBondContact O-OG 3.5Å; G102-F212 VanDerWaalsContact CA-CE2 3.46Å; G102-F216 VanDerWaalsContact O-CA 3.27Å; G102-F216 WeakPolarHBondContact O-CA 3.32Å; G102-F216 WeakPolarHBondContact O-CB 3.48Å
103T97.5Very high97Very high1 Ų128.7 Ų28.71%0.00616%0.158CC..Iπ-helixtrans-95.3-91.5179.953.20000111.6F90 V99 F101 G105 S106 I107 S215 F219F90-T103 PolarHBondContact O-OG1 2.67Å; V99-T103 WeakPolarHBondContact O-CB 3.43Å; V99-T103 PolarHBondContact O-N 3.16Å; V99-T103 PolarHBondContact O-OG1 3.39Å; F101-T103 VanDerWaalsContact C-N 3.33Å; F101-T103 PolarHBondContact O-N 3.26Å; T103-G105 PolarHBondContact O-N 3.33Å; T103-S106 WeakPolarHBondContact O-CB 2.94Å; T103-S106 PolarHBondContact O-N 3.39Å; T103-I107 PolarHBondContact O-N 2.85Å; T103-I107 VanDerWaalsContact O-N 3.12Å; T103-S215 VanDerWaalsContact CG2-O 3.31Å; T103-S215 WeakPolarHBondContact CG2-O 3.2Å; T103-F219 HydrophobicContact CG2-CD1 4.15Å
104L97.5Very high97.2Very high15 Ų1527.4 Ų27.48%0.07914%0.139CC..Iπ-helixtrans-57-36.8-177.3-178.963.3000112.3I86 F90 Y91 I100 S106 I107 I108I86-L104 HydrophobicContact CG2-CD2 4.48Å; F90-L104 HydrophobicContact CB-CB 4.31Å; F90-L104 WeakPolarHBondContact O-CB 3.43Å; Y91-L104 HydrophobicContact CD2-CD2 3.91Å; Y91-L104 HydrophobicContact CG-CD2 4.14Å; I100-L104 PolarHBondContact O-N 3.42Å; I100-L104 VanDerWaalsContact O-N 3.14Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.08Å; L104-I107 PolarHBondContact O-N 2.67Å; L104-I108 HydrophobicContact CD1-CD1 4.35Å; L104-I108 HydrophobicContact CD1-CG1 4.33Å; L104-I108 HydrophobicContact CD2-CD1 4.48Å; L104-I108 HydrophobicContact CG-CD1 3.96Å; L104-I108 HydrophobicContact CG-CG1 4.37Å; L104-I108 VanDerWaalsContact O-CG1 3.26Å; L104-I108 WeakPolarHBondContact O-CG1 3.4Å; L104-I108 PolarHBondContact O-N 2.96Å
105G97.8Very high97.4Very high13 Ų1322.4 Ų22.413%0.13411%0.113CC..Iπ-helixtrans-60.7-41.3175.700000113I100 F101 T103 I108 G109 A183I100-G105 PolarHBondContact O-N 2.68Å; F101-G105 CarbonylContact O-C 3.56Å; F101-G105 VanDerWaalsContact O-CA 3.25Å; F101-G105 WeakPolarHBondContact O-CA 3.31Å; F101-G105 PolarHBondContact O-N 3.16Å; T103-G105 PolarHBondContact O-N 3.33Å; G105-I108 PolarHBondContact O-N 3.01Å; G105-G109 PolarHBondContact O-N 3.23Å; G105-A183 VanDerWaalsContact C-CB 3.46Å
106S97.8Very high97.4Very high4 Ų423.4 Ų23.43%0.02812%0.119CC..Hα-helixtrans-67.3-37.2175.7-60.50000112.1F101 G102 T103 L104 G109 H110F101-S106 PolarHBondContact O-N 3.2Å; F101-S106 PolarHBondContact O-OG 3.42Å; G102-S106 VanDerWaalsContact O-CB 3.28Å; G102-S106 WeakPolarHBondContact O-CB 3.39Å; G102-S106 PolarHBondContact O-OG 3.5Å; T103-S106 WeakPolarHBondContact O-CB 2.94Å; T103-S106 PolarHBondContact O-N 3.39Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.08Å; S106-G109 PolarHBondContact O-N 3.04Å; S106-H110 VanDerWaalsContact O-CB 3.26Å; S106-H110 WeakPolarHBondContact O-CB 3.31Å; S106-H110 PolarHBondContact O-N 3.5Å
107I97.6Very high97.3Very high15 Ų1522.5 Ų22.58%0.07711%0.113CC..Hα-helixtrans-64-46.9173.5-67.6158.7000110.5A70 L81 E85 F90 T103 L104 G109 H110 E111 F219A70-I107 HydrophobicContact CB-CG2 3.71Å; L81-I107 HydrophobicContact CD2-CG2 4.26Å; E85-I107 WeakPolarHBondContact OE1-CD1 3.27Å; F90-I107 HydrophobicContact CB-CD1 4.49Å; F90-I107 HydrophobicContact CD1-CD1 3.35Å; F90-I107 HydrophobicContact CE1-CD1 3.62Å; F90-I107 HydrophobicContact CG-CD1 4Å; F90-I107 HydrophobicContact CZ-CD1 4.46Å; T103-I107 PolarHBondContact O-N 2.85Å; T103-I107 VanDerWaalsContact O-N 3.12Å; L104-I107 PolarHBondContact O-N 2.67Å; I107-G109 VanDerWaalsContact C-N 3.32Å; I107-G109 PolarHBondContact O-N 2.88Å; I107-H110 VanDerWaalsContact O-CB 3.32Å; I107-H110 WeakPolarHBondContact O-CB 3.27Å; I107-H110 PolarHBondContact O-N 2.89Å; I107-H110 VanDerWaalsContact O-N 3.12Å; I107-E111 WeakPolarHBondContact O-CG 3.19Å; I107-E111 PolarHBondContact O-N 3.47Å; I107-F219 HydrophobicContact CG1-CE2 4.39Å; I107-F219 HydrophobicContact CG1-CZ 4.27Å
108I97.8Very high97.2Very high51 Ų5124.1 Ų24.126%0.26212%0.121SC..Hα-helixtrans-60.1-45.3176.1-67.3171.8000110.7I79 L81 L104 G105 H110 E111 M112I79-I108 HydrophobicContact CD1-CG2 4.34Å; L81-I108 HydrophobicContact CD1-CD1 3.78Å; L81-I108 HydrophobicContact CD1-CG1 3.55Å; L81-I108 HydrophobicContact CD2-CG1 4.11Å; L81-I108 HydrophobicContact CG-CG1 4.44Å; L104-I108 HydrophobicContact CD1-CD1 4.35Å; L104-I108 HydrophobicContact CD1-CG1 4.33Å; L104-I108 HydrophobicContact CD2-CD1 4.48Å; L104-I108 HydrophobicContact CG-CD1 3.96Å; L104-I108 HydrophobicContact CG-CG1 4.37Å; L104-I108 VanDerWaalsContact O-CG1 3.26Å; L104-I108 WeakPolarHBondContact O-CG1 3.4Å; L104-I108 PolarHBondContact O-N 2.96Å; G105-I108 PolarHBondContact O-N 3.01Å; I108-H110 VanDerWaalsContact C-N 3.27Å; I108-H110 PolarHBondContact O-N 3.02Å; I108-E111 PolarHBondContact O-N 3.49Å; I108-M112 HydrophobicContact CG2-CG 4.42Å; I108-M112 HydrophobicContact CG2-SD 4Å; I108-M112 WeakPolarHBondContact O-CB 3.38Å; I108-M112 VanDerWaalsContact O-CG 3.26Å; I108-M112 WeakPolarHBondContact O-CG 3.45Å; I108-M112 PolarHBondContact O-N 2.89Å
109G97.7Very high97.1Very high1 Ų127.1 Ų27.11%0.0114%0.14CC..Hα-helixtrans-62.9-34.8176.700000112.8G105 S106 I107 M112 T113G105-G109 PolarHBondContact O-N 3.23Å; S106-G109 PolarHBondContact O-N 3.04Å; I107-G109 VanDerWaalsContact C-N 3.32Å; I107-G109 PolarHBondContact O-N 2.88Å; G109-M112 PolarHBondContact O-N 3.39Å; G109-T113 WeakPolarHBondContact O-CB 3.37Å; G109-T113 PolarHBondContact O-N 2.93Å; G109-T113 PolarHBondContact O-OG1 3Å
110H98Very high97Very high13 Ų1326.2 Ų26.26%0.0613%0.134CC..Hα-helixtrans-62.5-52.7175.6177.5101.5000110.1S106 I107 I108 M112 T113 H114 E172 A175 D176 R244S106-H110 VanDerWaalsContact O-CB 3.26Å; S106-H110 WeakPolarHBondContact O-CB 3.31Å; S106-H110 PolarHBondContact O-N 3.5Å; I107-H110 VanDerWaalsContact O-CB 3.32Å; I107-H110 WeakPolarHBondContact O-CB 3.27Å; I107-H110 PolarHBondContact O-N 2.89Å; I107-H110 VanDerWaalsContact O-N 3.12Å; I108-H110 VanDerWaalsContact C-N 3.27Å; I108-H110 PolarHBondContact O-N 3.02Å; H110-M112 VanDerWaalsContact C-N 3.31Å; H110-M112 PolarHBondContact O-N 3.37Å; H110-T113 WeakPolarHBondContact O-CA 3.26Å; H110-T113 WeakPolarHBondContact O-CB 3.31Å; H110-T113 PolarHBondContact O-N 2.9Å; H110-H114 AromaticContact CD2-CD2 3.83Å; H110-H114 AromaticContact CD2-NE2 3.54Å; H110-H114 AromaticContact CE1-NE2 3.96Å; H110-H114 AromaticContact NE2-CD2 3.86Å; H110-H114 AromaticContact NE2-CE1 3.85Å; H110-H114 AromaticContact NE2-NE2 3.08Å; H110-H114 PolarHBondContact NE2-NE2 3.41Å; H110-H114 PolarHBondContact O-N 3.1Å; H110-H114 VanDerWaalsContact O-N 3.15Å; H110-E172 IonicContact CE1-OE2 3.28Å; H110-E172 PolarHBondContact CE1-OE2 3.07Å; H110-E172 IonicContact NE2-OE2 3.86Å; H110-E172 PolarHBondContact NE2-OE2 3.2Å; H110-A175 WeakPolarHBondContact CA-O 3.48Å; H110-A175 WeakPolarHBondContact CE1-CB 3.47Å; H110-A175 VanDerWaalsContact ND1-C 3.25Å; H110-A175 WeakPolarHBondContact ND1-CB 3.33Å; H110-D176 IonicContact CE1-OD1 3.69Å; H110-D176 PolarHBondContact CE1-OD1 3.12Å; H110-D176 PolarHBondContact ND1-N 2.74Å; H110-D176 IonicContact ND1-OD1 3.61Å; H110-D176 PolarHBondContact ND1-OD1 2.89Å; H110-R244 PolarHBondContact CE1-NH2 2.85Å
111E98.1Very high96.8Very high10 Ų1025.8 Ų25.85%0.04713%0.133CC..Hα-helixtrans-62.5-36.3176.8-58.2-47.814600113.1A70 W71 Y72 I79 I107 I108 T113 H114A70-E111 HydrophobicContact CB-CG 3.72Å; A70-E111 WeakPolarHBondContact CB-OE1 3.38Å; W71-E111 WeakPolarHBondContact CA-OE2 3.38Å; Y72-E111 PolarHBondContact N-OE2 2.9Å; I79-E111 HydrophobicContact CB-CB 4.07Å; I79-E111 HydrophobicContact CG2-CB 3.65Å; I107-E111 WeakPolarHBondContact O-CG 3.19Å; I107-E111 PolarHBondContact O-N 3.47Å; I108-E111 PolarHBondContact O-N 3.49Å; E111-T113 VanDerWaalsContact C-N 3.28Å; E111-T113 PolarHBondContact O-N 3.26Å; E111-H114 PolarHBondContact O-N 3.41Å; E111-H114 IonicContact OE2-CD2 3.21Å
112M97.5Very high96.7Very high75 Ų7527 Ų2737%0.36914%0.142SC..Hα-helixtrans-64.8-34.8173.7-73.2177.965.700112.1M1 I79 I108 G109 H110 A115 F116M1-M112 HydrophobicContact SD-CG 3.93Å; I79-M112 HydrophobicContact CD1-CG 4.2Å; I108-M112 HydrophobicContact CG2-CG 4.42Å; I108-M112 HydrophobicContact CG2-SD 4Å; I108-M112 WeakPolarHBondContact O-CB 3.38Å; I108-M112 VanDerWaalsContact O-CG 3.26Å; I108-M112 WeakPolarHBondContact O-CG 3.45Å; I108-M112 PolarHBondContact O-N 2.89Å; G109-M112 PolarHBondContact O-N 3.39Å; H110-M112 VanDerWaalsContact C-N 3.31Å; H110-M112 PolarHBondContact O-N 3.37Å; M112-A115 WeakPolarHBondContact O-CB 3.39Å; M112-A115 PolarHBondContact O-N 3.29Å; M112-F116 WeakPolarHBondContact O-CD2 3.48Å
113T97.2Very high96.7Very high7 Ų729.1 Ų29.14%0.04315%0.15CC..Hα-helixtrans-73.3-28.3-179-57.90000111.9G109 H110 E111 A115 F116 D117 L174 A175 G179G109-T113 WeakPolarHBondContact O-CB 3.37Å; G109-T113 PolarHBondContact O-N 2.93Å; G109-T113 PolarHBondContact O-OG1 3Å; H110-T113 WeakPolarHBondContact O-CA 3.26Å; H110-T113 WeakPolarHBondContact O-CB 3.31Å; H110-T113 PolarHBondContact O-N 2.9Å; E111-T113 VanDerWaalsContact C-N 3.28Å; E111-T113 PolarHBondContact O-N 3.26Å; T113-A115 PolarHBondContact O-N 3.42Å; T113-F116 CarbonylContact O-C 3.51Å; T113-F116 WeakPolarHBondContact O-CA 3.33Å; T113-F116 PolarHBondContact O-N 2.84Å; T113-D117 PolarHBondContact O-N 3.24Å; T113-L174 HydrophobicContact CG2-CD2 4.42Å; T113-L174 HydrophobicContact CG2-CG 4.38Å; T113-A175 HydrophobicContact CG2-CB 4.41Å; T113-G179 PolarHBondContact OG1-N 3.23Å
114H97.6Very high96.6Very high21 Ų2130.2 Ų30.210%0.09716%0.156CC..Hα-helixtrans-57.3-28.9173.7-81-51.2000113.4Y72 H110 E111 F116 D117 G120 E172Y72-H114 HydrophobicContact CD1-CB 3.61Å; Y72-H114 HydrophobicContact CE1-CB 4.49Å; Y72-H114 HydrophobicContact CG-CB 3.8Å; H110-H114 AromaticContact CD2-CD2 3.83Å; H110-H114 AromaticContact CD2-NE2 3.54Å; H110-H114 AromaticContact CE1-NE2 3.96Å; H110-H114 AromaticContact NE2-CD2 3.86Å; H110-H114 AromaticContact NE2-CE1 3.85Å; H110-H114 AromaticContact NE2-NE2 3.08Å; H110-H114 PolarHBondContact NE2-NE2 3.41Å; H110-H114 PolarHBondContact O-N 3.1Å; H110-H114 VanDerWaalsContact O-N 3.15Å; E111-H114 PolarHBondContact O-N 3.41Å; E111-H114 IonicContact OE2-CD2 3.21Å; H114-F116 PolarHBondContact O-N 2.97Å; H114-F116 VanDerWaalsContact O-N 3.07Å; H114-D117 IonicContact CE1-OD2 3.16Å; H114-D117 IonicContact CG-OD2 3.53Å; H114-D117 IonicContact ND1-OD2 2.74Å; H114-D117 PolarHBondContact ND1-OD2 3.38Å; H114-D117 VanDerWaalsContact O-CG 3.32Å; H114-D117 PolarHBondContact O-N 2.83Å; H114-G120 WeakPolarHBondContact O-CA 3.38Å; H114-E172 IonicContact CE1-OE1 2.69Å; H114-E172 IonicContact CE1-OE2 3.45Å; H114-E172 IonicContact NE2-OE2 3.57Å
115A96.8Very high96.5Very high5 Ų535.7 Ų35.74%0.04118%0.181CC..THydrogen-bonded Turntrans-61.7-15.317200000114.2M1 Y72 M112 T113 G120M1-A115 HydrophobicContact CE-CB 3.47Å; M1-A115 VanDerWaalsContact CE-CB 3.47Å; Y72-A115 HydrophobicContact CD2-CB 4.45Å; Y72-A115 HydrophobicContact CE1-CB 4.14Å; Y72-A115 HydrophobicContact CE2-CB 3.71Å; Y72-A115 VanDerWaalsContact CZ-CA 3.44Å; Y72-A115 WeakPolarHBondContact OH-CA 3.11Å; Y72-A115 WeakPolarHBondContact OH-CB 3.16Å; M112-A115 WeakPolarHBondContact O-CB 3.39Å; M112-A115 PolarHBondContact O-N 3.29Å; T113-A115 PolarHBondContact O-N 3.42Å; A115-G120 CarbonylContact O-C 3.59Å; A115-G120 VanDerWaalsContact O-C 3.23Å
116F95.3Very high96.3Very high87 Ų8741.5 Ų41.538%0.38221%0.205SC..THydrogen-bonded Turntrans-125.911.8-176.5-54-77.4000112.4M112 T113 H114 W132 F141 W276M112-F116 WeakPolarHBondContact O-CD2 3.48Å; T113-F116 CarbonylContact O-C 3.51Å; T113-F116 WeakPolarHBondContact O-CA 3.33Å; T113-F116 PolarHBondContact O-N 2.84Å; H114-F116 PolarHBondContact O-N 2.97Å; H114-F116 VanDerWaalsContact O-N 3.07Å; F116-W132 AromaticContact CD1-CH2 3.99Å; F116-W132 HydrophobicContact CD1-CH2 3.99Å; F116-W132 HydrophobicContact CE1-CH2 4.04Å; F116-F141 WeakPolarHBondContact O-CE2 3.48Å; F116-F141 WeakPolarHBondContact O-CZ 3.47Å; F116-W276 HydrophobicContact CB-CH2 4.45Å; F116-W276 HydrophobicContact CB-CZ2 4.11Å
117D95.4Very high96.1Very high6 Ų641.8 Ų41.83%0.03221%0.208CC..SBendtrans-77.6-175.7175.578.523.9000113.3T113 H114 T119 G120 S121 N171 L174T113-D117 PolarHBondContact O-N 3.24Å; H114-D117 IonicContact CE1-OD2 3.16Å; H114-D117 IonicContact CG-OD2 3.53Å; H114-D117 IonicContact ND1-OD2 2.74Å; H114-D117 PolarHBondContact ND1-OD2 3.38Å; H114-D117 VanDerWaalsContact O-CG 3.32Å; H114-D117 PolarHBondContact O-N 2.83Å; D117-T119 PolarHBondContact O-N 3.4Å; D117-T119 VanDerWaalsContact O-N 3.16Å; D117-T119 WeakPolarHBondContact OD1-CA 3.35Å; D117-T119 WeakPolarHBondContact OD1-CB 3.43Å; D117-T119 PolarHBondContact OD1-N 3.39Å; D117-G120 PolarHBondContact OD1-N 3.34Å; D117-S121 WeakPolarHBondContact O-CB 3.29Å; D117-S121 PolarHBondContact O-N 3.25Å; D117-S121 PolarHBondContact O-OG 2.85Å; D117-N171 HydrophobicContact CB-CB 4.22Å; D117-N171 VanDerWaalsContact CG-CG 3.46Å; D117-N171 PolarHBondContact OD1-ND2 3.2Å; D117-N171 WeakPolarHBondContact OD2-CB 3.32Å; D117-L174 HydrophobicContact CB-CD2 3.46Å; D117-L174 VanDerWaalsContact CB-CD2 3.46Å
118Q93.8Very high95.9Very high91 Ų9145.3 Ų45.343%0.42523%0.227SC..THydrogen-bonded Turntrans-59.5-29.9-176.4-164.5-171.5-68.600112.3L170 N171Q118-L170 HydrophobicContact CB-CD2 4.37Å; Q118-L170 VanDerWaalsContact OE1-CD2 3.22Å; Q118-N171 WeakPolarHBondContact CB-OD1 3.25Å; Q118-N171 PolarHBondContact N-OD1 3.47Å
119T94.5Very high95.9Very high64 Ų6449.7 Ų49.739%0.39325%0.246SC..THydrogen-bonded Turntrans-91.4-50.5178.5-56.60000110.8D117 S121 L122 Y123 N171D117-T119 PolarHBondContact O-N 3.4Å; D117-T119 VanDerWaalsContact O-N 3.16Å; D117-T119 WeakPolarHBondContact OD1-CA 3.35Å; D117-T119 WeakPolarHBondContact OD1-CB 3.43Å; D117-T119 PolarHBondContact OD1-N 3.39Å; T119-S121 VanDerWaalsContact C-N 3.31Å; T119-S121 PolarHBondContact O-N 3.49Å; T119-L122 WeakPolarHBondContact O-CB 3.34Å; T119-L122 WeakPolarHBondContact O-CG 3.38Å; T119-L122 PolarHBondContact O-N 3.34Å; T119-L122 VanDerWaalsContact O-N 3.15Å; T119-Y123 HydrophobicContact CG2-CE2 4.43Å; T119-Y123 WeakPolarHBondContact O-CD2 3.31Å; T119-N171 PolarHBondContact OG1-ND2 2.88Å
120G95.4Very high95.7Very high2 Ų253 Ų532%0.02127%0.266CS..G310 helixtrans-65-32.2-176.800000113.5H114 A115 D117 L122 Y123H114-G120 WeakPolarHBondContact O-CA 3.38Å; A115-G120 CarbonylContact O-C 3.59Å; A115-G120 VanDerWaalsContact O-C 3.23Å; D117-G120 PolarHBondContact OD1-N 3.34Å; G120-L122 PolarHBondContact O-N 2.78Å; G120-Y123 PolarHBondContact O-N 2.85Å
121S94.7Very high95.5Very high13 Ų1357.6 Ų57.69%0.09129%0.291CS..G310 helixtrans-63.3-10.4175.661.90000114.5D117 T119 Y123 W132 W133D117-S121 WeakPolarHBondContact O-CB 3.29Å; D117-S121 PolarHBondContact O-N 3.25Å; D117-S121 PolarHBondContact O-OG 2.85Å; T119-S121 VanDerWaalsContact C-N 3.31Å; T119-S121 PolarHBondContact O-N 3.49Å; S121-Y123 VanDerWaalsContact C-N 3.31Å; S121-W132 PolarHBondContact O-NE1 3.3Å; S121-W132 VanDerWaalsContact O-NE1 3.08Å; S121-W133 PolarHBondContact O-NE1 3.01Å
122L95.5Very high95.4Very high72 Ų7262.2 Ų62.238%0.37731%0.308SS..G310 helixtrans-80.6-12.1173-55.4177.5000112.8T119 G120 E129 V130T119-L122 WeakPolarHBondContact O-CB 3.34Å; T119-L122 WeakPolarHBondContact O-CG 3.38Å; T119-L122 PolarHBondContact O-N 3.34Å; T119-L122 VanDerWaalsContact O-N 3.15Å; G120-L122 PolarHBondContact O-N 2.78Å; L122-E129 HydrophobicContact CB-CG 4.21Å; L122-E129 CarbonylContact O-C 3.54Å; L122-E129 VanDerWaalsContact O-CA 3.3Å; L122-E129 WeakPolarHBondContact O-CA 3.44Å; L122-V130 PolarHBondContact O-N 3.12Å; L122-V130 VanDerWaalsContact O-O 3.11Å
123Y97Very high95.2Very high46 Ų4660.5 Ų60.518%0.1830%0.298CS..BIsolated β-bridgetrans-107.6135.6-175.1-64.4-95.8000111.4P74 T119 G120 S121 G127 N128 E129 W132P74-Y123 HydrophobicContact CB-CD1 4.09Å; P74-Y123 HydrophobicContact CB-CD2 3.5Å; P74-Y123 HydrophobicContact CB-CE1 4.28Å; P74-Y123 HydrophobicContact CB-CE2 3.71Å; P74-Y123 HydrophobicContact CB-CG 3.7Å; P74-Y123 HydrophobicContact CG-CD2 4.38Å; P74-Y123 HydrophobicContact CG-CE2 4.1Å; T119-Y123 HydrophobicContact CG2-CE2 4.43Å; T119-Y123 WeakPolarHBondContact O-CD2 3.31Å; G120-Y123 PolarHBondContact O-N 2.85Å; S121-Y123 VanDerWaalsContact C-N 3.31Å; Y123-G127 WeakPolarHBondContact CD1-O 3.46Å; Y123-N128 CarbonylContact C-O 3.42Å; Y123-N128 VanDerWaalsContact CA-O 3.26Å; Y123-N128 WeakPolarHBondContact CA-O 3.47Å; Y123-E129 HydrophobicContact CD1-CB 4.43Å; Y123-E129 HydrophobicContact CE1-CB 4.19Å; Y123-W132 VanDerWaalsContact C-NE1 3.32Å; Y123-W132 PolarHBondContact O-NE1 2.89Å
124D95.5Very high95.1Very high23 Ų2363.2 Ų63.212%0.12332%0.317CS..  trans-75.8-177.4173.668.115.1000112.7H126 G127 N128 V130D124-H126 PolarHBondContact O-N 3.19Å; D124-H126 VanDerWaalsContact O-N 3.13Å; D124-H126 VanDerWaalsContact OD1-CA 3.31Å; D124-H126 WeakPolarHBondContact OD1-CA 3.28Å; D124-H126 WeakPolarHBondContact OD1-CB 3.46Å; D124-H126 PolarHBondContact OD1-N 3.39Å; D124-G127 PolarHBondContact O-N 2.97Å; D124-G127 VanDerWaalsContact O-N 3.11Å; D124-G127 PolarHBondContact OD1-N 3.45Å; D124-N128 PolarHBondContact N-O 2.76Å; D124-N128 PolarHBondContact OD1-N 2.69Å; D124-N128 PolarHBondContact OD1-ND2 3.36Å; D124-N128 PolarHBondContact OD2-ND2 3.03Å; D124-V130 HydrophobicContact CB-CG1 3.6Å
125E94.7Very high95Very high131 Ų13168.2 Ų68.261%0.61235%0.349SS*.THydrogen-bonded Turntrans-62.2-18.7178.667.2-87.9-154.200114.5N77N77-E125 PolarHBondContact ND2-O 2.73Å
126H93.5Very high94.9Very high135 Ų13573.5 Ų73.563%0.62537%0.373SS*.THydrogen-bonded Turntrans-97.2-4.5179.6-61.7-57.7000113.1D124 N128D124-H126 PolarHBondContact O-N 3.19Å; D124-H126 VanDerWaalsContact O-N 3.13Å; D124-H126 VanDerWaalsContact OD1-CA 3.31Å; D124-H126 WeakPolarHBondContact OD1-CA 3.28Å; D124-H126 WeakPolarHBondContact OD1-CB 3.46Å; D124-H126 PolarHBondContact OD1-N 3.39Å; H126-N128 WeakPolarHBondContact CB-ND2 3.42Å
127G93.8Very high94.8Very high9 Ų971.8 Ų71.89%0.09337%0.372CS..SBendtrans83.819.4-179.900000114.1P74 Y123 D124P74-G127 WeakPolarHBondContact O-CA 3.38Å; Y123-G127 WeakPolarHBondContact CD1-O 3.46Å; D124-G127 PolarHBondContact O-N 2.97Å; D124-G127 VanDerWaalsContact O-N 3.11Å; D124-G127 PolarHBondContact OD1-N 3.45Å
128N95Very high94.7Very high90 Ų9076.9 Ų76.948%0.48139%0.393SS..  trans-90.9139173.2-49.1-64.5000110.5Y123 D124 H126 V130Y123-N128 CarbonylContact C-O 3.42Å; Y123-N128 VanDerWaalsContact CA-O 3.26Å; Y123-N128 WeakPolarHBondContact CA-O 3.47Å; D124-N128 PolarHBondContact N-O 2.76Å; D124-N128 PolarHBondContact OD1-N 2.69Å; D124-N128 PolarHBondContact OD1-ND2 3.36Å; D124-N128 PolarHBondContact OD2-ND2 3.03Å; H126-N128 WeakPolarHBondContact CB-ND2 3.42Å; N128-V130 PolarHBondContact O-N 3.16Å; N128-V130 VanDerWaalsContact O-N 3.12Å
129E96Very high94.6Very high143 Ų14375.6 Ų75.667%0.66839%0.394SS*.BIsolated β-bridgetrans-72.9103.8172.9-168.5-179.2162.300110.1L122 Y123L122-E129 HydrophobicContact CB-CG 4.21Å; L122-E129 CarbonylContact O-C 3.54Å; L122-E129 VanDerWaalsContact O-CA 3.3Å; L122-E129 WeakPolarHBondContact O-CA 3.44Å; Y123-E129 HydrophobicContact CD1-CB 4.43Å; Y123-E129 HydrophobicContact CE1-CB 4.19Å
130V95.3Very high94.6Very high69 Ų6980.2 Ų80.242%0.41841%0.405SS..  trans-149.4143.8-178.266.80000110.2L122 D124 N128 W132L122-V130 PolarHBondContact O-N 3.12Å; L122-V130 VanDerWaalsContact O-O 3.11Å; D124-V130 HydrophobicContact CB-CG1 3.6Å; N128-V130 PolarHBondContact O-N 3.16Å; N128-V130 VanDerWaalsContact O-N 3.12Å; V130-W132 PolarHBondContact O-N 3.21Å; V130-W132 VanDerWaalsContact O-N 3.11Å
131N93.7Very high94.5Very high111 Ų11181.3 Ų81.359%0.59441%0.409SS*.  trans-78.798.3174.2-177.226.6000110.7W133N131-W133 PolarHBondContact OD1-N 3Å
132W95.6Very high94.5Very high107 Ų10787.4 Ų87.441%0.40543%0.434SS..  trans-993.4176.754.7-92.5000113.6F116 S121 Y123 V130F116-W132 AromaticContact CD1-CH2 3.99Å; F116-W132 HydrophobicContact CD1-CH2 3.99Å; F116-W132 HydrophobicContact CE1-CH2 4.04Å; S121-W132 PolarHBondContact O-NE1 3.3Å; S121-W132 VanDerWaalsContact O-NE1 3.08Å; Y123-W132 VanDerWaalsContact C-NE1 3.32Å; Y123-W132 PolarHBondContact O-NE1 2.89Å; V130-W132 PolarHBondContact O-N 3.21Å; V130-W132 VanDerWaalsContact O-N 3.11Å
133W93.5Very high94.4Very high39 Ų3989.1 Ų89.115%0.14844%0.443CS..SBendtrans-92.6141.2-179.6-73.357.7000111.8S121 N131 S137 K138 F141 W276S121-W133 PolarHBondContact O-NE1 3.01Å; N131-W133 PolarHBondContact OD1-N 3Å; W133-S137 VanDerWaalsContact CE3-C 3.44Å; W133-S137 VanDerWaalsContact CE3-CB 3.45Å; W133-S137 WeakPolarHBondContact CZ3-O 3.38Å; W133-K138 HydrophobicContact CB-CB 4.39Å; W133-F141 HydrophobicContact CE3-CB 4.37Å; W133-F141 HydrophobicContact CH2-CB 3.92Å; W133-F141 AromaticContact CH2-CD2 3.73Å; W133-F141 HydrophobicContact CH2-CD2 3.73Å; W133-F141 HydrophobicContact CH2-CE2 4.45Å; W133-F141 AromaticContact CH2-CG 3.91Å; W133-F141 HydrophobicContact CH2-CG 3.91Å; W133-F141 HydrophobicContact CZ3-CB 3.54Å; W133-F141 HydrophobicContact CZ3-CD2 4.25Å; W133-F141 HydrophobicContact CZ3-CG 4.03Å; W133-W276 HydrophobicContact CH2-CH2 4.23Å
134S94.9Very high94.2Very high63 Ų6387.5 Ų87.544%0.44144%0.44SS..  trans-65.6153.7163.178.50000110.6E136 S137 K138S134-E136 PolarHBondContact O-N 3.22Å; S134-S137 PolarHBondContact O-N 2.95Å; S134-S137 WeakPolarHBondContact OG-CB 3.15Å; S134-S137 PolarHBondContact OG-N 2.95Å; S134-S137 VanDerWaalsContact OG-N 3.12Å; S134-S137 PolarHBondContact OG-OG 3.33Å; S134-S137 VanDerWaalsContact OG-OG 3.09Å; S134-K138 WeakPolarHBondContact O-CB 3.46Å; S134-K138 PolarHBondContact O-N 2.93Å
135T94.9Very high94.3Very high127 Ų12786.9 Ų86.978%0.77944%0.437SS*.Hα-helixtrans-55.4-39175.9-56.60000111.9S139T135-S139 PolarHBondContact O-N 3.36Å
136E94.9Very high94.4Very high115 Ų11583.2 Ų83.254%0.53742%0.42SS..Hα-helixtrans-65.4-50.3178.1-173.1-176168.500111.7S134 K138 S139 R140S134-E136 PolarHBondContact O-N 3.22Å; E136-K138 VanDerWaalsContact C-N 3.27Å; E136-K138 PolarHBondContact O-N 3.45Å; E136-S139 WeakPolarHBondContact O-CB 3.41Å; E136-S139 PolarHBondContact O-N 2.72Å; E136-S139 VanDerWaalsContact O-N 3.13Å; E136-R140 WeakPolarHBondContact O-CG 3.5Å; E136-R140 PolarHBondContact O-N 3.44Å; E136-R140 IonicContact OE1-CZ 3.29Å; E136-R140 VanDerWaalsContact OE1-CZ 3.26Å; E136-R140 IonicContact OE1-NE 3.89Å; E136-R140 PolarHBondContact OE1-NE 3.13Å; E136-R140 IonicContact OE1-NH2 3.4Å; E136-R140 PolarHBondContact OE1-NH2 3.24Å
137S93.3Very high94.5Very high52 Ų5278.2 Ų78.236%0.36440%0.4SS..Hα-helixtrans-59.7-41.9179.4-63.20000110.7W133 S134 S139 R140 F141W133-S137 VanDerWaalsContact CE3-C 3.44Å; W133-S137 VanDerWaalsContact CE3-CB 3.45Å; W133-S137 WeakPolarHBondContact CZ3-O 3.38Å; S134-S137 PolarHBondContact O-N 2.95Å; S134-S137 WeakPolarHBondContact OG-CB 3.15Å; S134-S137 PolarHBondContact OG-N 2.95Å; S134-S137 VanDerWaalsContact OG-N 3.12Å; S134-S137 PolarHBondContact OG-OG 3.33Å; S134-S137 VanDerWaalsContact OG-OG 3.09Å; S137-S139 VanDerWaalsContact C-N 3.32Å; S137-S139 PolarHBondContact O-N 2.92Å; S137-R140 PolarHBondContact O-N 2.7Å; S137-F141 WeakPolarHBondContact O-CB 3.49Å; S137-F141 PolarHBondContact O-N 3.49Å
138K92.4Very high94.6Very high112 Ų11277.9 Ų77.949%0.48740%0.396SS..Hα-helixtrans-63.2-39.1178-171.3170-174.5167.50111.8W133 S134 E136 K142W133-K138 HydrophobicContact CB-CB 4.39Å; S134-K138 WeakPolarHBondContact O-CB 3.46Å; S134-K138 PolarHBondContact O-N 2.93Å; E136-K138 VanDerWaalsContact C-N 3.27Å; E136-K138 PolarHBondContact O-N 3.45Å; K138-K142 WeakPolarHBondContact O-CB 3.43Å; K138-K142 PolarHBondContact O-N 3.28Å
139S93.6Very high94.8Very high64 Ų6474.4 Ų74.445%0.44838%0.377SS..Hα-helixtrans-65.8-43.4174.8-171.20000112.1T135 E136 S137 K142 N143T135-S139 PolarHBondContact O-N 3.36Å; E136-S139 WeakPolarHBondContact O-CB 3.41Å; E136-S139 PolarHBondContact O-N 2.72Å; E136-S139 VanDerWaalsContact O-N 3.13Å; S137-S139 VanDerWaalsContact C-N 3.32Å; S137-S139 PolarHBondContact O-N 2.92Å; S139-K142 PolarHBondContact O-N 2.89Å; S139-N143 PolarHBondContact O-N 3.49Å
140R93.2Very high94.8Very high161 Ų16175.7 Ų75.761%0.60838%0.376SS*.Hα-helixtrans-62.5-44.7176.9-70.4177.3-178.9-100.63.9111.3E136 S137 K142 N143 A144E136-R140 WeakPolarHBondContact O-CG 3.5Å; E136-R140 PolarHBondContact O-N 3.44Å; E136-R140 IonicContact OE1-CZ 3.29Å; E136-R140 VanDerWaalsContact OE1-CZ 3.26Å; E136-R140 IonicContact OE1-NE 3.89Å; E136-R140 PolarHBondContact OE1-NE 3.13Å; E136-R140 IonicContact OE1-NH2 3.4Å; E136-R140 PolarHBondContact OE1-NH2 3.24Å; S137-R140 PolarHBondContact O-N 2.7Å; R140-K142 PolarHBondContact O-N 2.9Å; R140-N143 PolarHBondContact O-N 3.32Å; R140-A144 PolarHBondContact O-N 3.24Å
141F94.4Very high94.9Very high25 Ų2572.4 Ų72.411%0.1136%0.356CS..Hα-helixtrans-61-44.3175.4-177.9-100.5000112.6F116 W133 S137 N143 A144 T145 L174F116-F141 WeakPolarHBondContact O-CE2 3.48Å; F116-F141 WeakPolarHBondContact O-CZ 3.47Å; W133-F141 HydrophobicContact CE3-CB 4.37Å; W133-F141 HydrophobicContact CH2-CB 3.92Å; W133-F141 AromaticContact CH2-CD2 3.73Å; W133-F141 HydrophobicContact CH2-CD2 3.73Å; W133-F141 HydrophobicContact CH2-CE2 4.45Å; W133-F141 AromaticContact CH2-CG 3.91Å; W133-F141 HydrophobicContact CH2-CG 3.91Å; W133-F141 HydrophobicContact CZ3-CB 3.54Å; W133-F141 HydrophobicContact CZ3-CD2 4.25Å; W133-F141 HydrophobicContact CZ3-CG 4.03Å; S137-F141 WeakPolarHBondContact O-CB 3.49Å; S137-F141 PolarHBondContact O-N 3.49Å; F141-N143 VanDerWaalsContact C-N 3.31Å; F141-N143 PolarHBondContact O-N 2.7Å; F141-A144 PolarHBondContact O-N 2.72Å; F141-T145 HydrophobicContact CD1-CG2 4.08Å; F141-T145 HydrophobicContact CD2-CG2 4.39Å; F141-T145 HydrophobicContact CE1-CG2 3.66Å; F141-T145 HydrophobicContact CE2-CG2 4.01Å; F141-T145 HydrophobicContact CG-CG2 4.43Å; F141-T145 HydrophobicContact CZ-CG2 3.62Å; F141-T145 WeakPolarHBondContact O-CG2 3.36Å; F141-T145 PolarHBondContact O-N 3.35Å; F141-T145 PolarHBondContact O-OG1 3.13Å; F141-L174 HydrophobicContact CE2-CD2 4.16Å; F141-L174 HydrophobicContact CZ-CD2 4.2Å
142K94.4Very high95Very high141 Ų14167.2 Ų67.261%0.61333%0.328SS*.Hα-helixtrans-59.3-40.8175.1-176.4178.6177.1-177.70112.2K138 S139 R140 T145 Q146K138-K142 WeakPolarHBondContact O-CB 3.43Å; K138-K142 PolarHBondContact O-N 3.28Å; S139-K142 PolarHBondContact O-N 2.89Å; R140-K142 PolarHBondContact O-N 2.9Å; K142-T145 WeakPolarHBondContact CA-OG1 3.49Å; K142-T145 PolarHBondContact O-OG1 2.93Å; K142-Q146 WeakPolarHBondContact O-CB 3.16Å; K142-Q146 PolarHBondContact O-N 3.25Å
143N93.7Very high95.1Very high108 Ų10864.2 Ų64.258%0.57833%0.326SS*.Hα-helixtrans-66.2-43.2177.5-72.5-16.4000111.8S139 R140 F141 Q146 C147S139-N143 PolarHBondContact O-N 3.49Å; R140-N143 PolarHBondContact O-N 3.32Å; F141-N143 VanDerWaalsContact C-N 3.31Å; F141-N143 PolarHBondContact O-N 2.7Å; N143-Q146 PolarHBondContact O-N 3.04Å; N143-C147 PolarHBondContact O-N 2.95Å; N143-C147 VanDerWaalsContact O-N 3.13Å
144A93.1Very high95.3Very high13 Ų1368.1 Ų68.111%0.10735%0.346CS..Hα-helixtrans-67-44.1-179.700000112.1R140 F141 Q146 C147 L148 N274 L275R140-A144 PolarHBondContact O-N 3.24Å; F141-A144 PolarHBondContact O-N 2.72Å; A144-Q146 PolarHBondContact O-N 2.97Å; A144-C147 VanDerWaalsContact O-CB 3.31Å; A144-C147 WeakPolarHBondContact O-CB 3.19Å; A144-C147 PolarHBondContact O-N 2.9Å; A144-L148 PolarHBondContact O-N 2.91Å; A144-N274 WeakPolarHBondContact CB-O 3.44Å; A144-L275 HydrophobicContact CB-CD2 3.79Å
145T95.8Very high95.3Very high9 Ų965.6 Ų65.66%0.05533%0.327CS..Hα-helixtrans-64.7-38.5174.551.40000111.9F141 K142 C147 L148 I149 L170 L174F141-T145 HydrophobicContact CD1-CG2 4.08Å; F141-T145 HydrophobicContact CD2-CG2 4.39Å; F141-T145 HydrophobicContact CE1-CG2 3.66Å; F141-T145 HydrophobicContact CE2-CG2 4.01Å; F141-T145 HydrophobicContact CG-CG2 4.43Å; F141-T145 HydrophobicContact CZ-CG2 3.62Å; F141-T145 WeakPolarHBondContact O-CG2 3.36Å; F141-T145 PolarHBondContact O-N 3.35Å; F141-T145 PolarHBondContact O-OG1 3.13Å; K142-T145 WeakPolarHBondContact CA-OG1 3.49Å; K142-T145 PolarHBondContact O-OG1 2.93Å; T145-C147 VanDerWaalsContact C-N 3.26Å; T145-C147 PolarHBondContact O-N 3.24Å; T145-L148 PolarHBondContact O-N 2.76Å; T145-L148 VanDerWaalsContact O-N 3.13Å; T145-I149 WeakPolarHBondContact O-CG1 3.29Å; T145-I149 PolarHBondContact O-N 2.94Å; T145-L170 HydrophobicContact CG2-CD1 4.21Å; T145-L170 HydrophobicContact CG2-CD2 4.12Å; T145-L174 HydrophobicContact CG2-CD1 4.1Å
146Q97Very high95.4Very high54 Ų5462.5 Ų62.525%0.25231%0.31SS..Hα-helixtrans-64.1-30.3176.4-173.757.275.300112.9K142 N143 A144 R150K142-Q146 WeakPolarHBondContact O-CB 3.16Å; K142-Q146 PolarHBondContact O-N 3.25Å; N143-Q146 PolarHBondContact O-N 3.04Å; A144-Q146 PolarHBondContact O-N 2.97Å; Q146-R150 WeakPolarHBondContact O-CG 3.35Å; Q146-R150 PolarHBondContact O-N 2.76Å
147C96.6Very high95.4Very high31 Ų3158.5 Ų58.521%0.20929%0.291CS..Hα-helixtrans-61.5-51.6169.9-174.70000110.8N143 A144 T145 I149 R150 D151 C273N143-C147 PolarHBondContact O-N 2.95Å; N143-C147 VanDerWaalsContact O-N 3.13Å; A144-C147 VanDerWaalsContact O-CB 3.31Å; A144-C147 WeakPolarHBondContact O-CB 3.19Å; A144-C147 PolarHBondContact O-N 2.9Å; T145-C147 VanDerWaalsContact C-N 3.26Å; T145-C147 PolarHBondContact O-N 3.24Å; C147-I149 PolarHBondContact O-N 3.42Å; C147-R150 PolarHBondContact O-N 3.46Å; C147-R150 VanDerWaalsContact O-N 3.15Å; C147-D151 PolarHBondContact O-N 2.98Å; C147-C273 HydrophobicContact CB-CB 3.8Å; C147-C273 WeakPolarHBondContact CB-SG 3.33Å; C147-C273 PolarHBondContact O-SG 3.48Å; C147-C273 WeakPolarHBondContact SG-CA 3.36Å; C147-C273 WeakPolarHBondContact SG-CB 3.44Å; C147-C273 CovalentContact SG-SG 2.05Å; C147-C273 PolarHBondContact SG-SG 3.22Å
148L96.5Very high95.3Very high1 Ų164 Ų641%0.00531%0.31CS..Hα-helixtrans-63.1-39.5-179.7-71.5175.2000112.8A144 T145 R150 D151 Y152 L170 L174 L177 C273 L275A144-L148 PolarHBondContact O-N 2.91Å; T145-L148 PolarHBondContact O-N 2.76Å; T145-L148 VanDerWaalsContact O-N 3.13Å; L148-R150 VanDerWaalsContact C-N 3.28Å; L148-R150 PolarHBondContact O-N 2.86Å; L148-D151 PolarHBondContact O-N 2.72Å; L148-Y152 HydrophobicContact CD2-CE2 4.29Å; L148-Y152 WeakPolarHBondContact O-CD2 3.4Å; L148-Y152 PolarHBondContact O-N 3.29Å; L148-L170 HydrophobicContact CB-CD1 4.06Å; L148-L174 HydrophobicContact CD1-CB 4.48Å; L148-L174 HydrophobicContact CD1-CD1 3.74Å; L148-L177 HydrophobicContact CD1-CD2 4.34Å; L148-L177 HydrophobicContact CD2-CD2 4Å; L148-C273 HydrophobicContact CD2-CB 3.58Å; L148-C273 HydrophobicContact CG-CB 3.92Å; L148-L275 HydrophobicContact CD1-CD1 4.4Å; L148-L275 HydrophobicContact CD1-CD2 3.94Å; L148-L275 HydrophobicContact CD1-CG 4.39Å
149I97.5Very high95.3Very high18 Ų1865.7 Ų65.79%0.09232%0.32CS..Hα-helixtrans-54.7-48.2174-68.9172.6000110.1T145 C147 A153 R167 L170T145-I149 WeakPolarHBondContact O-CG1 3.29Å; T145-I149 PolarHBondContact O-N 2.94Å; C147-I149 PolarHBondContact O-N 3.42Å; I149-A153 VanDerWaalsContact O-CB 3.29Å; I149-A153 WeakPolarHBondContact O-CB 3.41Å; I149-A153 PolarHBondContact O-N 3.4Å; I149-A153 VanDerWaalsContact O-N 3.16Å; I149-R167 HydrophobicContact CG2-CB 4.4Å; I149-L170 HydrophobicContact CD1-CD2 4.03Å; I149-L170 HydrophobicContact CG1-CB 4.4Å; I149-L170 HydrophobicContact CG1-CD1 4.08Å; I149-L170 HydrophobicContact CG1-CD2 4.09Å; I149-L170 HydrophobicContact CG1-CG 4.42Å
150R97.4Very high95.3Very high169 Ų16963 Ų6364%0.63830%0.301SS*.Hα-helixtrans-69.3-38.8-179.1-67.3177.3-157.1171.26.6111.6Q146 C147 L148 A153 Q154Q146-R150 WeakPolarHBondContact O-CG 3.35Å; Q146-R150 PolarHBondContact O-N 2.76Å; C147-R150 PolarHBondContact O-N 3.46Å; C147-R150 VanDerWaalsContact O-N 3.15Å; L148-R150 VanDerWaalsContact C-N 3.28Å; L148-R150 PolarHBondContact O-N 2.86Å; R150-A153 PolarHBondContact O-N 3.08Å; R150-Q154 WeakPolarHBondContact O-CG 3.47Å
151D96Very high95.3Very high1 Ų166.8 Ų66.81%0.00532%0.315CS..Hα-helixtrans-59.7-52.3179.2-171.741.2000111.5C147 L148 A153 Q154 R250 N251 R269C147-D151 PolarHBondContact O-N 2.98Å; L148-D151 PolarHBondContact O-N 2.72Å; D151-A153 VanDerWaalsContact C-N 3.32Å; D151-A153 PolarHBondContact O-N 3.33Å; D151-Q154 WeakPolarHBondContact O-CB 3.32Å; D151-Q154 PolarHBondContact O-N 3Å; D151-R250 IonicContact OD1-CZ 3.75Å; D151-R250 IonicContact OD1-NH1 2.76Å; D151-R250 PolarHBondContact OD1-NH1 3.41Å; D151-N251 PolarHBondContact OD2-ND2 3.06Å; D151-R269 IonicContact OD1-CZ 3.49Å; D151-R269 IonicContact OD1-NH1 2.68Å; D151-R269 PolarHBondContact OD1-NH1 2.99Å; D151-R269 IonicContact OD1-NH2 3.9Å; D151-R269 IonicContact OD2-NH1 3.43Å; D151-R269 PolarHBondContact OD2-NH1 3.13Å
152Y97.5Very high95.3Very high1 Ų168 Ų680%0.00433%0.325CS..Hα-helixtrans-71.4-28.5-178.1-80.9-100.4000113.2L148 Q154 Y155 N173 S239 P248L148-Y152 HydrophobicContact CD2-CE2 4.29Å; L148-Y152 WeakPolarHBondContact O-CD2 3.4Å; L148-Y152 PolarHBondContact O-N 3.29Å; Y152-Q154 PolarHBondContact O-N 3.12Å; Y152-Q154 VanDerWaalsContact O-N 3.1Å; Y152-Y155 AromaticContact CD1-CD2 3.83Å; Y152-Y155 HydrophobicContact CD1-CD2 3.83Å; Y152-Y155 AromaticContact CD1-CE2 3.72Å; Y152-Y155 HydrophobicContact CD1-CE2 3.72Å; Y152-Y155 HydrophobicContact CE1-CE2 4.14Å; Y152-Y155 HydrophobicContact CG-CD2 4.18Å; Y152-Y155 AromaticContact CG-CE2 3.96Å; Y152-Y155 HydrophobicContact CG-CE2 3.96Å; Y152-Y155 WeakPolarHBondContact O-CD2 3.32Å; Y152-Y155 PolarHBondContact O-N 3.4Å; Y152-Y155 VanDerWaalsContact O-N 3.1Å; Y152-N173 WeakPolarHBondContact CD1-ND2 3.44Å; Y152-N173 HydrophobicContact CD2-CB 4.01Å; Y152-N173 VanDerWaalsContact CD2-ND2 3.26Å; Y152-N173 WeakPolarHBondContact CD2-ND2 3.3Å; Y152-N173 HydrophobicContact CE1-CB 4.21Å; Y152-N173 WeakPolarHBondContact CE1-OD1 3.32Å; Y152-N173 HydrophobicContact CE2-CB 3.56Å; Y152-N173 HydrophobicContact CG-CB 4.47Å; Y152-S239 VanDerWaalsContact CD1-OG 3.27Å; Y152-S239 WeakPolarHBondContact CD1-OG 3.43Å; Y152-S239 WeakPolarHBondContact CE1-OG 3.21Å; Y152-P248 WeakPolarHBondContact OH-CD 3.43Å
153A97.5Very high95.4Very high44 Ų4463.6 Ų63.636%0.36431%0.311SS..THydrogen-bonded Turntrans-62.6-14.3174.400000114I149 R150 D151 Y155 I164I149-A153 VanDerWaalsContact O-CB 3.29Å; I149-A153 WeakPolarHBondContact O-CB 3.41Å; I149-A153 PolarHBondContact O-N 3.4Å; I149-A153 VanDerWaalsContact O-N 3.16Å; R150-A153 PolarHBondContact O-N 3.08Å; D151-A153 VanDerWaalsContact C-N 3.32Å; D151-A153 PolarHBondContact O-N 3.33Å; A153-Y155 VanDerWaalsContact C-N 3.35Å; A153-I164 WeakPolarHBondContact CA-O 3.49Å
154Q96.1Very high95.6Very high122 Ų12258.6 Ų58.657%0.5728%0.284SS*.THydrogen-bonded Turntrans-81.3-12.7176.2-64.9178.4-21.600113.5R150 D151 Y152 C156R150-Q154 WeakPolarHBondContact O-CG 3.47Å; D151-Q154 WeakPolarHBondContact O-CB 3.32Å; D151-Q154 PolarHBondContact O-N 3Å; Y152-Q154 PolarHBondContact O-N 3.12Å; Y152-Q154 VanDerWaalsContact O-N 3.1Å; Q154-C156 PolarHBondContact O-N 2.89Å
155Y96.2Very high95.8Very high9 Ų962.3 Ų62.34%0.03530%0.302CS..  trans-8498.4-179.7-58.5-48.5000110.7Y152 A153 C163 I164 Y243 I246 R250Y152-Y155 AromaticContact CD1-CD2 3.83Å; Y152-Y155 HydrophobicContact CD1-CD2 3.83Å; Y152-Y155 AromaticContact CD1-CE2 3.72Å; Y152-Y155 HydrophobicContact CD1-CE2 3.72Å; Y152-Y155 HydrophobicContact CE1-CE2 4.14Å; Y152-Y155 HydrophobicContact CG-CD2 4.18Å; Y152-Y155 AromaticContact CG-CE2 3.96Å; Y152-Y155 HydrophobicContact CG-CE2 3.96Å; Y152-Y155 WeakPolarHBondContact O-CD2 3.32Å; Y152-Y155 PolarHBondContact O-N 3.4Å; Y152-Y155 VanDerWaalsContact O-N 3.1Å; A153-Y155 VanDerWaalsContact C-N 3.35Å; Y155-C163 CarbonylContact O-C 3.37Å; Y155-C163 VanDerWaalsContact O-CA 3.24Å; Y155-C163 WeakPolarHBondContact O-CA 3.48Å; Y155-C163 WeakPolarHBondContact O-CB 3.17Å; Y155-I164 HydrophobicContact CD2-CD1 4.01Å; Y155-I164 HydrophobicContact CG-CD1 4.34Å; Y155-I164 PolarHBondContact O-N 3.4Å; Y155-Y243 AromaticContact CD1-CD1 3.4Å; Y155-Y243 HydrophobicContact CD1-CD1 3.4Å; Y155-Y243 VanDerWaalsContact CD1-CD1 3.4Å; Y155-Y243 AromaticContact CD1-CE1 3.22Å; Y155-Y243 HydrophobicContact CD1-CE1 3.22Å; Y155-Y243 HydrophobicContact CD1-CG 4.43Å; Y155-Y243 AromaticContact CD2-CD1 3.58Å; Y155-Y243 HydrophobicContact CD2-CD1 3.58Å; Y155-Y243 HydrophobicContact CD2-CE1 4.18Å; Y155-Y243 AromaticContact CD2-CG 3.91Å; Y155-Y243 HydrophobicContact CD2-CG 3.91Å; Y155-Y243 AromaticContact CE1-CD1 3.74Å; Y155-Y243 HydrophobicContact CE1-CD1 3.74Å; Y155-Y243 AromaticContact CE1-CE1 3.85Å; Y155-Y243 HydrophobicContact CE1-CE1 3.85Å; Y155-Y243 AromaticContact CE2-CD1 3.91Å; Y155-Y243 HydrophobicContact CE2-CD1 3.91Å; Y155-Y243 HydrophobicContact CE2-CG 4.42Å; Y155-Y243 AromaticContact CG-CD1 3.31Å; Y155-Y243 HydrophobicContact CG-CD1 3.31Å; Y155-Y243 AromaticContact CG-CE1 3.42Å; Y155-Y243 HydrophobicContact CG-CE1 3.42Å; Y155-Y243 VanDerWaalsContact CG-CE1 3.42Å; Y155-Y243 AromaticContact CG-CG 3.92Å; Y155-Y243 HydrophobicContact CG-CG 3.92Å; Y155-Y243 AromaticContact CZ-CD1 3.98Å; Y155-I246 HydrophobicContact CE1-CG2 4.28Å; Y155-R250 WeakPolarHBondContact OH-CD 3.35Å; Y155-R250 PolarHBondContact OH-NH1 3.41Å
156C96.3Very high95.9Very high63 Ų6362 Ų6243%0.42630%0.3SS..EExtended strand (participates in β ladder)trans-109145.5-176.9-56.60000112.6Q154 C163Q154-C156 PolarHBondContact O-N 2.89Å; C156-C163 HydrophobicContact CB-CB 3.97Å; C156-C163 WeakPolarHBondContact CB-SG 3.46Å; C156-C163 WeakPolarHBondContact SG-CB 3.26Å; C156-C163 CovalentContact SG-SG 2.04Å; C156-C163 PolarHBondContact SG-SG 2.85Å
157F95.1Very high95.9Very high30 Ų3066.5 Ų66.513%0.13232%0.315CS..EExtended strand (participates in β ladder)trans-111103.7176.6-62.7-95.5000107.8E159 L160 R161 T162 I164 L229 L233 P240 Y243F157-E159 VanDerWaalsContact C-N 3.29Å; F157-E159 PolarHBondContact O-N 3.47Å; F157-L160 HydrophobicContact CB-CB 3.97Å; F157-L160 HydrophobicContact CB-CD1 4.02Å; F157-L160 HydrophobicContact CB-CG 4.17Å; F157-L160 HydrophobicContact CG-CD1 4.36Å; F157-L160 CarbonylContact O-C 3.47Å; F157-L160 PolarHBondContact O-N 3.42Å; F157-L160 VanDerWaalsContact O-N 3.11Å; F157-R161 PolarHBondContact O-N 2.9Å; F157-T162 PolarHBondContact N-O 2.88Å; F157-T162 PolarHBondContact O-N 2.89Å; F157-I164 HydrophobicContact CE2-CG1 4.09Å; F157-L229 HydrophobicContact CD1-CD2 3.64Å; F157-L229 HydrophobicContact CE1-CD1 4Å; F157-L229 HydrophobicContact CE1-CD2 3.6Å; F157-L229 HydrophobicContact CE1-CG 4.31Å; F157-L229 HydrophobicContact CG-CD2 4.38Å; F157-L229 HydrophobicContact CZ-CD1 3.91Å; F157-L229 HydrophobicContact CZ-CD2 4.32Å; F157-L233 HydrophobicContact CD2-CD1 3.5Å; F157-L233 HydrophobicContact CD2-CD2 4.15Å; F157-L233 HydrophobicContact CD2-CG 4.49Å; F157-L233 HydrophobicContact CE2-CD1 3.73Å; F157-L233 HydrophobicContact CE2-CD2 3.63Å; F157-L233 HydrophobicContact CE2-CG 4.3Å; F157-L233 HydrophobicContact CG-CD1 4.09Å; F157-L233 HydrophobicContact CZ-CD1 4.44Å; F157-L233 HydrophobicContact CZ-CD2 4.4Å; F157-P240 HydrophobicContact CE2-CG 4.39Å; F157-P240 HydrophobicContact CZ-CB 4.34Å; F157-P240 HydrophobicContact CZ-CG 3.92Å; F157-Y243 AromaticContact CE1-CE2 3.99Å; F157-Y243 HydrophobicContact CE1-CE2 3.99Å; F157-Y243 AromaticContact CE2-CE2 3.93Å; F157-Y243 HydrophobicContact CE2-CE2 3.93Å; F157-Y243 HydrophobicContact CZ-CD2 4Å; F157-Y243 AromaticContact CZ-CE2 3.39Å; F157-Y243 HydrophobicContact CZ-CE2 3.39Å
158Q91.7Very high96Very high167 Ų16767.7 Ų67.778%0.7833%0.328SS*.THydrogen-bonded Turntrans-61.7-39.5-169.9-68.8-176.2-1700111.9L160 R161Q158-L160 VanDerWaalsContact C-N 3.25Å; Q158-L160 PolarHBondContact O-N 2.84Å; Q158-R161 PolarHBondContact O-N 3.42Å
159E91.3Very high96Very high148 Ų14868 Ų6869%0.69233%0.329SS*.THydrogen-bonded Turntrans-64.2-32.9179-5479.6-174.700111.4F157F157-E159 VanDerWaalsContact C-N 3.29Å; F157-E159 PolarHBondContact O-N 3.47Å
160L93.3Very high96.1Very high8 Ų867.2 Ų67.24%0.04233%0.325CS..THydrogen-bonded Turntrans-91.1-11.7179.4-63.7-179.1000113.5F157 Q158 T162 E226 L229 R230 L233F157-L160 HydrophobicContact CB-CB 3.97Å; F157-L160 HydrophobicContact CB-CD1 4.02Å; F157-L160 HydrophobicContact CB-CG 4.17Å; F157-L160 HydrophobicContact CG-CD1 4.36Å; F157-L160 CarbonylContact O-C 3.47Å; F157-L160 PolarHBondContact O-N 3.42Å; F157-L160 VanDerWaalsContact O-N 3.11Å; Q158-L160 VanDerWaalsContact C-N 3.25Å; Q158-L160 PolarHBondContact O-N 2.84Å; L160-T162 HydrophobicContact CB-CG2 3.81Å; L160-T162 PolarHBondContact O-N 3.33Å; L160-E226 HydrophobicContact CD2-CG 3.34Å; L160-E226 HydrophobicContact CG-CG 4.37Å; L160-L229 HydrophobicContact CD1-CB 4.28Å; L160-L229 HydrophobicContact CD1-CD2 3.67Å; L160-L229 HydrophobicContact CD1-CG 3.65Å; L160-R230 HydrophobicContact CD2-CB 4.1Å; L160-R230 PolarHBondContact O-NH1 2.89Å; L160-L233 HydrophobicContact CD1-CD1 3.64Å
161R93.8Very high96.1Very high240 Ų24060.9 Ų60.991%0.90630%0.304SS*.THydrogen-bonded Turntrans49.438.7-171.7-59.9-177.1177.5-179.2-0.9112.9F157 Q158F157-R161 PolarHBondContact O-N 2.9Å; Q158-R161 PolarHBondContact O-N 3.42Å
162T95.2Very high96.2Very high51 Ų5161.8 Ų61.831%0.31331%0.308SS..EExtended strand (participates in β ladder)trans-142.5158.6-179.7-163.40000110.8F157 L160 L233F157-T162 PolarHBondContact N-O 2.88Å; F157-T162 PolarHBondContact O-N 2.89Å; L160-T162 HydrophobicContact CB-CG2 3.81Å; L160-T162 PolarHBondContact O-N 3.33Å; T162-L233 HydrophobicContact CG2-CB 4.2Å; T162-L233 HydrophobicContact CG2-CD1 3.51Å; T162-L233 HydrophobicContact CG2-CG 4.44Å
163C96.2Very high96.2Very high48 Ų4861.8 Ų61.832%0.32431%0.308SS..EExtended strand (participates in β ladder)trans-121.1163.7176.6-44.80000110Y155 C156 N165Y155-C163 CarbonylContact O-C 3.37Å; Y155-C163 VanDerWaalsContact O-CA 3.24Å; Y155-C163 WeakPolarHBondContact O-CA 3.48Å; Y155-C163 WeakPolarHBondContact O-CB 3.17Å; C156-C163 HydrophobicContact CB-CB 3.97Å; C156-C163 WeakPolarHBondContact CB-SG 3.46Å; C156-C163 WeakPolarHBondContact SG-CB 3.26Å; C156-C163 CovalentContact SG-SG 2.04Å; C156-C163 PolarHBondContact SG-SG 2.85Å; C163-N165 PolarHBondContact O-N 3.46Å
164I97.8Very high96.2Very high4 Ų459.7 Ų59.72%0.02129%0.291CS..  trans-60131.3172.2-62.9178.8000108.8A153 Y155 F157 G166 T169 L233 P240 Y243A153-I164 WeakPolarHBondContact CA-O 3.49Å; Y155-I164 HydrophobicContact CD2-CD1 4.01Å; Y155-I164 HydrophobicContact CG-CD1 4.34Å; Y155-I164 PolarHBondContact O-N 3.4Å; F157-I164 HydrophobicContact CE2-CG1 4.09Å; I164-G166 PolarHBondContact O-N 3Å; I164-T169 HydrophobicContact CG2-CG2 3.86Å; I164-L233 HydrophobicContact CG1-CD2 3.78Å; I164-P240 HydrophobicContact CD1-CG 4.42Å; I164-Y243 HydrophobicContact CD1-CD2 3.58Å; I164-Y243 HydrophobicContact CD1-CE2 4.31Å; I164-Y243 HydrophobicContact CD1-CG 3.8Å
165N97.6Very high96.2Very high91 Ų9153.9 Ų53.949%0.48726%0.264SS..  trans-77.990.4171-177-18.2000109.4C163 R167 A168 T169C163-N165 PolarHBondContact O-N 3.46Å; N165-R167 PolarHBondContact O-N 3.03Å; N165-R167 PolarHBondContact OD1-N 3.49Å; N165-A168 HydrophobicContact CB-CB 3.85Å; N165-A168 PolarHBondContact O-N 3.14Å; N165-A168 PolarHBondContact OD1-N 3.38Å; N165-A168 VanDerWaalsContact OD1-N 3.12Å; N165-T169 PolarHBondContact O-N 3.24Å; N165-T169 PolarHBondContact O-OG1 2.97Å
166G97.7Very high96.3Very high1 Ų153.7 Ų53.71%0.0126%0.263CS..THydrogen-bonded Turntrans-58.4-18.7-176.900000115I164 L170I164-G166 PolarHBondContact O-N 3Å; G166-L170 PolarHBondContact O-N 3.41Å
167R97.3Very high96.3Very high149 Ų14951 Ų5156%0.56225%0.245SC*.THydrogen-bonded Turntrans-79.2-44.7171.5179.6178.7-63.5-73-1.9111.5I149 N165 T169 L170I149-R167 HydrophobicContact CG2-CB 4.4Å; N165-R167 PolarHBondContact O-N 3.03Å; N165-R167 PolarHBondContact OD1-N 3.49Å; R167-T169 PolarHBondContact O-N 3.4Å; R167-L170 PolarHBondContact O-N 2.88Å
168A97.4Very high96.4Very high57 Ų5749.7 Ų49.747%0.47124%0.24SC..THydrogen-bonded Turntrans-64.5-32.3178.100000111.8N165N165-A168 HydrophobicContact CB-CB 3.85Å; N165-A168 PolarHBondContact O-N 3.14Å; N165-A168 PolarHBondContact OD1-N 3.38Å; N165-A168 VanDerWaalsContact OD1-N 3.12Å
169T98.2Very high96.7Very high7 Ų741.8 Ų41.84%0.04320%0.203CC..THydrogen-bonded Turntrans-96.97.1-178.6660000115I164 N165 R167 N171 E172 N173 S237I164-T169 HydrophobicContact CG2-CG2 3.86Å; N165-T169 PolarHBondContact O-N 3.24Å; N165-T169 PolarHBondContact O-OG1 2.97Å; R167-T169 PolarHBondContact O-N 3.4Å; T169-N171 PolarHBondContact O-N 3.01Å; T169-E172 PolarHBondContact O-N 3.45Å; T169-N173 WeakPolarHBondContact O-CB 3.25Å; T169-N173 PolarHBondContact O-N 3.13Å; T169-N173 PolarHBondContact O-ND2 3.2Å; T169-N173 PolarHBondContact O-OD1 2.91Å; T169-N173 PolarHBondContact OG1-ND2 3.42Å; T169-S237 WeakPolarHBondContact CA-O 3.39Å; T169-S237 VanDerWaalsContact CB-O 3.31Å; T169-S237 WeakPolarHBondContact CB-O 3.31Å; T169-S237 WeakPolarHBondContact CG2-O 3.35Å
170L97.8Very high97Very high1 Ų134.7 Ų34.71%0.00517%0.17CC..Hα-helixtrans-59-48.3-168.8172.761.4000113Q118 T145 L148 I149 G166 R167 E172 N173 L174Q118-L170 HydrophobicContact CB-CD2 4.37Å; Q118-L170 VanDerWaalsContact OE1-CD2 3.22Å; T145-L170 HydrophobicContact CG2-CD1 4.21Å; T145-L170 HydrophobicContact CG2-CD2 4.12Å; L148-L170 HydrophobicContact CB-CD1 4.06Å; I149-L170 HydrophobicContact CD1-CD2 4.03Å; I149-L170 HydrophobicContact CG1-CB 4.4Å; I149-L170 HydrophobicContact CG1-CD1 4.08Å; I149-L170 HydrophobicContact CG1-CD2 4.09Å; I149-L170 HydrophobicContact CG1-CG 4.42Å; G166-L170 PolarHBondContact O-N 3.41Å; R167-L170 PolarHBondContact O-N 2.88Å; L170-E172 VanDerWaalsContact C-N 3.33Å; L170-E172 PolarHBondContact O-N 3.27Å; L170-N173 PolarHBondContact O-N 3.12Å; L170-L174 VanDerWaalsContact O-CB 3.26Å; L170-L174 WeakPolarHBondContact O-CB 3.44Å; L170-L174 PolarHBondContact O-N 3.45Å
171N97.5Very high97.1Very high36 Ų3636.3 Ų36.319%0.19318%0.18CC..Hα-helixtrans-59.8-45.5-176.1-75.52.4000111.4D117 Q118 T119 T169 L174 A175D117-N171 HydrophobicContact CB-CB 4.22Å; D117-N171 VanDerWaalsContact CG-CG 3.46Å; D117-N171 PolarHBondContact OD1-ND2 3.2Å; D117-N171 WeakPolarHBondContact OD2-CB 3.32Å; Q118-N171 WeakPolarHBondContact CB-OD1 3.25Å; Q118-N171 PolarHBondContact N-OD1 3.47Å; T119-N171 PolarHBondContact OG1-ND2 2.88Å; T169-N171 PolarHBondContact O-N 3.01Å; N171-L174 WeakPolarHBondContact O-CB 3.44Å; N171-L174 PolarHBondContact O-N 3.04Å; N171-A175 WeakPolarHBondContact O-CB 3.26Å; N171-A175 PolarHBondContact O-N 3.05Å
172E98.2Very high97.3Very high21 Ų2127.9 Ų27.910%0.09816%0.155CC..Hα-helixtrans-66.1-43.5178-56.7-54.6152.900112.2H110 H114 T169 L170 L174 A175 D176 S237 H238 R244H110-E172 IonicContact CE1-OE2 3.28Å; H110-E172 PolarHBondContact CE1-OE2 3.07Å; H110-E172 IonicContact NE2-OE2 3.86Å; H110-E172 PolarHBondContact NE2-OE2 3.2Å; H114-E172 IonicContact CE1-OE1 2.69Å; H114-E172 IonicContact CE1-OE2 3.45Å; H114-E172 IonicContact NE2-OE2 3.57Å; T169-E172 PolarHBondContact O-N 3.45Å; L170-E172 VanDerWaalsContact C-N 3.33Å; L170-E172 PolarHBondContact O-N 3.27Å; E172-L174 VanDerWaalsContact C-N 3.27Å; E172-L174 PolarHBondContact O-N 2.93Å; E172-A175 PolarHBondContact O-N 2.8Å; E172-D176 WeakPolarHBondContact O-CB 3.41Å; E172-D176 VanDerWaalsContact O-CG 3.23Å; E172-D176 PolarHBondContact O-N 3.05Å; E172-S237 WeakPolarHBondContact CG-O 3.05Å; E172-H238 HydrophobicContact CG-CB 4.48Å; E172-H238 WeakPolarHBondContact CG-CD2 3.46Å; E172-H238 IonicContact OE1-NE2 3.36Å; E172-H238 IonicContact OE2-CD2 3.41Å; E172-H238 PolarHBondContact OE2-CD2 2.76Å; E172-H238 IonicContact OE2-NE2 2.76Å; E172-H238 PolarHBondContact OE2-NE2 2.89Å; E172-R244 IonicContact OE2-NH2 3.3Å
173N97.7Very high97.4Very high0 Ų025.6 Ų25.60%014%0.141CC..Hα-helixtrans-64.1-35.9177.9-67.3-15.2000112.1Y152 T169 L170 L177 S239Y152-N173 WeakPolarHBondContact CD1-ND2 3.44Å; Y152-N173 HydrophobicContact CD2-CB 4.01Å; Y152-N173 VanDerWaalsContact CD2-ND2 3.26Å; Y152-N173 WeakPolarHBondContact CD2-ND2 3.3Å; Y152-N173 HydrophobicContact CE1-CB 4.21Å; Y152-N173 WeakPolarHBondContact CE1-OD1 3.32Å; Y152-N173 HydrophobicContact CE2-CB 3.56Å; Y152-N173 HydrophobicContact CG-CB 4.47Å; T169-N173 WeakPolarHBondContact O-CB 3.25Å; T169-N173 PolarHBondContact O-N 3.13Å; T169-N173 PolarHBondContact O-ND2 3.2Å; T169-N173 PolarHBondContact O-OD1 2.91Å; T169-N173 PolarHBondContact OG1-ND2 3.42Å; L170-N173 PolarHBondContact O-N 3.12Å; N173-L177 PolarHBondContact O-N 3.08Å; N173-S239 WeakPolarHBondContact OD1-CB 3.4Å; N173-S239 PolarHBondContact OD1-OG 2.88Å
174L97.1Very high97.5Very high1 Ų123.8 Ų23.81%0.00513%0.128CC..Hα-helixtrans-65.8-48.5174.2-168.488.4000110.5T113 D117 F141 T145 L148 L170 N171 E172 D176 L177 G178 L275T113-L174 HydrophobicContact CG2-CD2 4.42Å; T113-L174 HydrophobicContact CG2-CG 4.38Å; D117-L174 HydrophobicContact CB-CD2 3.46Å; D117-L174 VanDerWaalsContact CB-CD2 3.46Å; F141-L174 HydrophobicContact CE2-CD2 4.16Å; F141-L174 HydrophobicContact CZ-CD2 4.2Å; T145-L174 HydrophobicContact CG2-CD1 4.1Å; L148-L174 HydrophobicContact CD1-CB 4.48Å; L148-L174 HydrophobicContact CD1-CD1 3.74Å; L170-L174 VanDerWaalsContact O-CB 3.26Å; L170-L174 WeakPolarHBondContact O-CB 3.44Å; L170-L174 PolarHBondContact O-N 3.45Å; N171-L174 WeakPolarHBondContact O-CB 3.44Å; N171-L174 PolarHBondContact O-N 3.04Å; E172-L174 VanDerWaalsContact C-N 3.27Å; E172-L174 PolarHBondContact O-N 2.93Å; L174-D176 VanDerWaalsContact C-N 3.33Å; L174-D176 PolarHBondContact O-N 2.96Å; L174-L177 PolarHBondContact O-N 3.16Å; L174-G178 PolarHBondContact O-N 3.14Å; L174-L275 HydrophobicContact CD1-CD1 3.23Å; L174-L275 HydrophobicContact CD1-CD2 3.15Å; L174-L275 HydrophobicContact CD1-CG 3.74Å; L174-L275 HydrophobicContact CG-CD1 3.63Å; L174-L275 HydrophobicContact CG-CD2 4.4Å
175A97.6Very high97.4Very high0 Ų027.5 Ų27.50%015%0.151CC..Hα-helixtrans-64.4-37-179.600000111.9H110 T113 N171 E172 G179H110-A175 WeakPolarHBondContact CA-O 3.48Å; H110-A175 WeakPolarHBondContact CE1-CB 3.47Å; H110-A175 VanDerWaalsContact ND1-C 3.25Å; H110-A175 WeakPolarHBondContact ND1-CB 3.33Å; T113-A175 HydrophobicContact CG2-CB 4.41Å; N171-A175 WeakPolarHBondContact O-CB 3.26Å; N171-A175 PolarHBondContact O-N 3.05Å; E172-A175 PolarHBondContact O-N 2.8Å; A175-G179 WeakPolarHBondContact O-CA 3.37Å; A175-G179 PolarHBondContact O-N 2.83Å
176D97.9Very high97.5Very high4 Ų424.9 Ų24.92%0.02114%0.142CC..Hα-helixtrans-63.2-47.7173.2-71.5-19.5000112.7H110 E172 L174 L180 R244 P248H110-D176 IonicContact CE1-OD1 3.69Å; H110-D176 PolarHBondContact CE1-OD1 3.12Å; H110-D176 PolarHBondContact ND1-N 2.74Å; H110-D176 IonicContact ND1-OD1 3.61Å; H110-D176 PolarHBondContact ND1-OD1 2.89Å; E172-D176 WeakPolarHBondContact O-CB 3.41Å; E172-D176 VanDerWaalsContact O-CG 3.23Å; E172-D176 PolarHBondContact O-N 3.05Å; L174-D176 VanDerWaalsContact C-N 3.33Å; L174-D176 PolarHBondContact O-N 2.96Å; D176-L180 VanDerWaalsContact O-CB 3.29Å; D176-L180 WeakPolarHBondContact O-CB 3.04Å; D176-L180 PolarHBondContact O-N 3.09Å; D176-R244 IonicContact OD1-CZ 2.77Å; D176-R244 IonicContact OD1-NE 3.53Å; D176-R244 PolarHBondContact OD1-NE 3.45Å; D176-R244 IonicContact OD1-NH2 2.67Å; D176-R244 PolarHBondContact OD1-NH2 3.03Å; D176-R244 WeakPolarHBondContact OD2-CB 3.41Å; D176-R244 WeakPolarHBondContact OD2-CG 3.49Å; D176-R244 IonicContact OD2-CZ 3.64Å; D176-R244 IonicContact OD2-NE 2.68Å; D176-R244 PolarHBondContact OD2-NE 3.23Å; D176-R244 IonicContact OD2-NH2 3.62Å; D176-R244 PolarHBondContact OD2-NH2 3.11Å; D176-P248 HydrophobicContact CB-CG 3.57Å
177L96.9Very high97.5Very high8 Ų824.8 Ų24.84%0.04214%0.141CC..Hα-helixtrans-67-44.4178.8176.460.3000111.9L148 N173 L174 T181 N251 C273 L275L148-L177 HydrophobicContact CD1-CD2 4.34Å; L148-L177 HydrophobicContact CD2-CD2 4Å; N173-L177 PolarHBondContact O-N 3.08Å; L174-L177 PolarHBondContact O-N 3.16Å; L177-T181 WeakPolarHBondContact O-CB 3.43Å; L177-T181 PolarHBondContact O-N 2.74Å; L177-T181 VanDerWaalsContact O-N 3.12Å; L177-T181 PolarHBondContact O-OG1 3.25Å; L177-N251 HydrophobicContact CD1-CB 4.09Å; L177-N251 HydrophobicContact CD2-CB 4.34Å; L177-C273 WeakPolarHBondContact CD2-O 3.38Å; L177-L275 HydrophobicContact CD2-CD1 4.15Å; L177-L275 HydrophobicContact CD2-CG 4.22Å; L177-L275 HydrophobicContact CG-CD1 4.4Å
178G96.5Very high97.5Very high2 Ų222.1 Ų22.12%0.02113%0.134CC..Hα-helixtrans-64-45.817700000111.7L174 T181 V182L174-G178 PolarHBondContact O-N 3.14Å; G178-T181 PolarHBondContact O-N 2.65Å; G178-V182 WeakPolarHBondContact O-CB 3.26Å; G178-V182 VanDerWaalsContact O-CG2 3.32Å; G178-V182 WeakPolarHBondContact O-CG2 3.49Å; G178-V182 PolarHBondContact O-N 2.99Å
179G97.3Very high97.5Very high0 Ų023.3 Ų23.30%013%0.131CC..Hα-helixtrans-62.4-47.6179.900000113.3T113 A175 T181 V182 A183T113-G179 PolarHBondContact OG1-N 3.23Å; A175-G179 WeakPolarHBondContact O-CA 3.37Å; A175-G179 PolarHBondContact O-N 2.83Å; G179-T181 VanDerWaalsContact C-N 3.31Å; G179-T181 PolarHBondContact O-N 3.41Å; G179-V182 PolarHBondContact O-N 2.78Å; G179-A183 WeakPolarHBondContact O-CB 3.25Å; G179-A183 PolarHBondContact O-N 3.12Å
180L97.6Very high97.5Very high0 Ų025.4 Ų25.40%014%0.139CC..Hα-helixtrans-55.3-46.8172.2175.370.4000111.5D176 H184 F212 F213 F216 P248 L249 Y252D176-L180 VanDerWaalsContact O-CB 3.29Å; D176-L180 WeakPolarHBondContact O-CB 3.04Å; D176-L180 PolarHBondContact O-N 3.09Å; L180-H184 WeakPolarHBondContact O-CB 3.09Å; L180-H184 PolarHBondContact O-N 3.29Å; L180-F212 HydrophobicContact CD1-CE1 3.72Å; L180-F212 HydrophobicContact CD1-CZ 4.19Å; L180-F213 HydrophobicContact CD1-CD1 4.21Å; L180-F213 HydrophobicContact CD1-CE1 4.23Å; L180-F216 HydrophobicContact CB-CE2 4.2Å; L180-F216 HydrophobicContact CB-CZ 4.41Å; L180-F216 HydrophobicContact CD1-CB 4.28Å; L180-F216 HydrophobicContact CD1-CD1 3.94Å; L180-F216 HydrophobicContact CD1-CD2 3.82Å; L180-F216 HydrophobicContact CD1-CE1 4.23Å; L180-F216 HydrophobicContact CD1-CE2 4.11Å; L180-F216 HydrophobicContact CD1-CG 3.73Å; L180-F216 HydrophobicContact CD1-CZ 4.3Å; L180-F216 HydrophobicContact CD2-CE1 4.49Å; L180-P248 HydrophobicContact CD2-CB 3.71Å; L180-L249 HydrophobicContact CD1-CD2 4.29Å; L180-L249 HydrophobicContact CD2-CD2 3.83Å; L180-Y252 HydrophobicContact CD2-CD1 4.08Å; L180-Y252 HydrophobicContact CD2-CG 4.17Å; L180-Y252 HydrophobicContact CG-CD1 4.35Å
181T96.6Very high97.4Very high41 Ų4125.8 Ų25.825%0.25214%0.14SC..Hα-helixtrans-65.4-45.1-176.8-61.60000111.9L177 G178 G179 T185 Y252L177-T181 WeakPolarHBondContact O-CB 3.43Å; L177-T181 PolarHBondContact O-N 2.74Å; L177-T181 VanDerWaalsContact O-N 3.12Å; L177-T181 PolarHBondContact O-OG1 3.25Å; G178-T181 PolarHBondContact O-N 2.65Å; G179-T181 VanDerWaalsContact C-N 3.31Å; G179-T181 PolarHBondContact O-N 3.41Å; T181-T185 VanDerWaalsContact O-CB 3.31Å; T181-T185 WeakPolarHBondContact O-CB 3.11Å; T181-T185 PolarHBondContact O-N 3.36Å; T181-T185 PolarHBondContact O-OG1 2.92Å; T181-Y252 HydrophobicContact CG2-CE2 3.9Å
182V96.6Very high97.4Very high64 Ų6428.2 Ų28.239%0.38816%0.16SC..Hα-helixtrans-65.4-46.6178.1169.70000110.2G178 G179 T185 A186G178-V182 WeakPolarHBondContact O-CB 3.26Å; G178-V182 VanDerWaalsContact O-CG2 3.32Å; G178-V182 WeakPolarHBondContact O-CG2 3.49Å; G178-V182 PolarHBondContact O-N 2.99Å; G179-V182 PolarHBondContact O-N 2.78Å; V182-T185 PolarHBondContact O-N 3.18Å; V182-A186 WeakPolarHBondContact O-CB 3.5Å; V182-A186 PolarHBondContact O-N 2.79Å
183A98Very high97.3Very high2 Ų235.9 Ų35.92%0.01719%0.188CC..Hα-helixtrans-63.4-45.1-17900000112.7F101 G105 G179 A186 Y187 F212F101-A183 WeakPolarHBondContact O-CB 3.47Å; G105-A183 VanDerWaalsContact C-CB 3.46Å; G179-A183 WeakPolarHBondContact O-CB 3.25Å; G179-A183 PolarHBondContact O-N 3.12Å; A183-A186 PolarHBondContact O-N 3.16Å; A183-Y187 WeakPolarHBondContact O-CB 3.44Å; A183-Y187 PolarHBondContact O-N 3.21Å; A183-F212 HydrophobicContact CB-CE2 4.18Å; A183-F212 HydrophobicContact CB-CZ 4.05Å
184H97.9Very high97.2Very high10 Ų1041.5 Ų41.55%0.04621%0.214CC..Hα-helixtrans-67.2-40.5177.6-174.3-112.4000111.5L180 A186 Y187 K188 D209 F212 F213 Y252L180-H184 WeakPolarHBondContact O-CB 3.09Å; L180-H184 PolarHBondContact O-N 3.29Å; H184-A186 VanDerWaalsContact C-N 3.33Å; H184-A186 PolarHBondContact O-N 2.85Å; H184-Y187 WeakPolarHBondContact O-CB 3.49Å; H184-Y187 PolarHBondContact O-N 3.07Å; H184-K188 WeakPolarHBondContact O-CG 3.34Å; H184-K188 PolarHBondContact O-N 2.98Å; H184-D209 IonicContact NE2-OD1 3.62Å; H184-F212 VanDerWaalsContact CA-CZ 3.47Å; H184-F212 HydrophobicContact CB-CD1 4.34Å; H184-F212 HydrophobicContact CB-CE1 3.58Å; H184-F212 HydrophobicContact CB-CE2 4.13Å; H184-F212 HydrophobicContact CB-CZ 3.47Å; H184-F212 VanDerWaalsContact CB-CZ 3.47Å; H184-F212 AromaticContact CD2-CD1 3.57Å; H184-F212 AromaticContact CD2-CE1 3.72Å; H184-F212 AromaticContact CD2-CG 3.96Å; H184-F212 AromaticContact CG-CE1 3.95Å; H184-F213 AromaticContact CD2-CZ 3.74Å; H184-F213 AromaticContact CE1-CZ 3.94Å; H184-F213 AromaticContact NE2-CE2 3.98Å; H184-F213 AromaticContact NE2-CZ 3.67Å; H184-Y252 HydrophobicContact CB-CE1 3.95Å; H184-Y252 WeakPolarHBondContact CB-OH 3.35Å; H184-Y252 AromaticContact CG-CE1 3.83Å; H184-Y252 AromaticContact ND1-CE1 3.49Å; H184-Y252 WeakPolarHBondContact ND1-CE1 3.29Å; H184-Y252 AromaticContact ND1-CZ 3.59Å; H184-Y252 PolarHBondContact ND1-OH 3.41Å
185T97.1Very high97Very high82 Ų8245.3 Ų45.350%0.50325%0.253SS..Hα-helixtrans-59.7-44.8173.6-59.40000111.4T181 V182 Y187 K188 L189T181-T185 VanDerWaalsContact O-CB 3.31Å; T181-T185 WeakPolarHBondContact O-CB 3.11Å; T181-T185 PolarHBondContact O-N 3.36Å; T181-T185 PolarHBondContact O-OG1 2.92Å; V182-T185 PolarHBondContact O-N 3.18Å; T185-Y187 VanDerWaalsContact C-N 3.32Å; T185-Y187 PolarHBondContact O-N 3.45Å; T185-K188 PolarHBondContact O-N 2.96Å; T185-L189 PolarHBondContact O-N 3.43Å
186A97.9Very high96.8Very high36 Ų3646.7 Ų46.730%0.29827%0.268SS..Hα-helixtrans-63.3-38.3176.700000112F101 V182 A183 H184 L189 W190F101-A186 HydrophobicContact CD1-CB 4.03Å; F101-A186 HydrophobicContact CE1-CB 3.65Å; V182-A186 WeakPolarHBondContact O-CB 3.5Å; V182-A186 PolarHBondContact O-N 2.79Å; A183-A186 PolarHBondContact O-N 3.16Å; H184-A186 VanDerWaalsContact C-N 3.33Å; H184-A186 PolarHBondContact O-N 2.85Å; A186-L189 PolarHBondContact O-N 3.43Å; A186-W190 WeakPolarHBondContact O-CB 3.39Å; A186-W190 PolarHBondContact O-N 3.15Å
187Y98.1Very high96.5Very high0 Ų051.2 Ų51.20%029%0.292CS..Hα-helixtrans-63.3-47.1174.2175.7-124.6000112.4K97 A98 F101 A183 H184 T185 L189 W190 K191 M208 D209 F212K97-Y187 HydrophobicContact CB-CE2 4.3Å; A98-Y187 HydrophobicContact CB-CE1 4.3Å; A98-Y187 HydrophobicContact CB-CE2 4.1Å; F101-Y187 HydrophobicContact CB-CD2 4.32Å; F101-Y187 HydrophobicContact CB-CG 4.25Å; F101-Y187 AromaticContact CD2-CD2 3.65Å; F101-Y187 HydrophobicContact CD2-CD2 3.65Å; F101-Y187 HydrophobicContact CD2-CG 4.25Å; F101-Y187 HydrophobicContact CE2-CD2 4.29Å; F101-Y187 HydrophobicContact CG-CD2 4.22Å; F101-Y187 HydrophobicContact CG-CG 4.38Å; A183-Y187 WeakPolarHBondContact O-CB 3.44Å; A183-Y187 PolarHBondContact O-N 3.21Å; H184-Y187 WeakPolarHBondContact O-CB 3.49Å; H184-Y187 PolarHBondContact O-N 3.07Å; T185-Y187 VanDerWaalsContact C-N 3.32Å; T185-Y187 PolarHBondContact O-N 3.45Å; Y187-L189 VanDerWaalsContact C-N 3.3Å; Y187-L189 PolarHBondContact O-N 3.38Å; Y187-W190 HydrophobicContact CD2-CE3 4.38Å; Y187-W190 HydrophobicContact CE2-CE3 4.17Å; Y187-W190 HydrophobicContact CE2-CZ3 4.47Å; Y187-W190 WeakPolarHBondContact O-CB 3.49Å; Y187-W190 PolarHBondContact O-N 3.23Å; Y187-W190 VanDerWaalsContact O-N 3.14Å; Y187-K191 HydrophobicContact CD2-CG 4.3Å; Y187-K191 HydrophobicContact CE1-CD 3.96Å; Y187-K191 VanDerWaalsContact CE1-CE 3.43Å; Y187-K191 HydrophobicContact CE1-CG 4.47Å; Y187-K191 HydrophobicContact CE2-CD 4.01Å; Y187-K191 HydrophobicContact CE2-CG 3.79Å; Y187-K191 WeakPolarHBondContact O-CG 3.45Å; Y187-K191 PolarHBondContact O-N 3.47Å; Y187-K191 WeakPolarHBondContact OH-CD 3.11Å; Y187-M208 WeakPolarHBondContact OH-CB 3.4Å; Y187-D209 WeakPolarHBondContact CE1-OD1 3.35Å; Y187-F212 HydrophobicContact CD1-CB 4.3Å; Y187-F212 HydrophobicContact CD1-CD2 4.04Å; Y187-F212 HydrophobicContact CD1-CG 4.34Å; Y187-F212 HydrophobicContact CE1-CB 4.32Å; Y187-F212 HydrophobicContact CG-CD2 4.22Å
188K97.2Very high96.3Very high93 Ų9353.1 Ų53.140%0.40430%0.301SS..Hα-helixtrans-61-39.4176.3-62.9-63.4-73-174.10111.7H184 T185 K191 S192 D209H184-K188 WeakPolarHBondContact O-CG 3.34Å; H184-K188 PolarHBondContact O-N 2.98Å; T185-K188 PolarHBondContact O-N 2.96Å; K188-K191 PolarHBondContact O-N 2.89Å; K188-S192 PolarHBondContact O-N 2.93Å; K188-D209 WeakPolarHBondContact CD-OD1 3.45Å; K188-D209 IonicContact NZ-OD1 2.94Å; K188-D209 IonicContact NZ-OD2 3.68Å; K188-D209 PolarHBondContact NZ-OD2 2.98Å
189L97.2Very high96Very high81 Ų8158.6 Ų58.642%0.42434%0.336SS..Hα-helixtrans-66.5-38.3174.4-179.363.1000112.4T185 A186 Y187 S192 R193T185-L189 PolarHBondContact O-N 3.43Å; A186-L189 PolarHBondContact O-N 3.43Å; Y187-L189 VanDerWaalsContact C-N 3.3Å; Y187-L189 PolarHBondContact O-N 3.38Å; L189-S192 PolarHBondContact O-N 3.21Å; L189-S192 PolarHBondContact O-OG 3.21Å; L189-R193 WeakPolarHBondContact O-CG 3.49Å; L189-R193 PolarHBondContact O-N 3.32Å
190W97.9Very high95.7Very high51 Ų5161.2 Ų61.219%0.19336%0.363CS..Hα-helixtrans-61.1-48.6174.117887.6000110.3K97 F101 A186 Y187 S192 R193 H194 E198K97-W190 HydrophobicContact CB-CD2 4.15Å; K97-W190 HydrophobicContact CB-CE3 3.92Å; K97-W190 HydrophobicContact CB-CH2 4.01Å; K97-W190 HydrophobicContact CB-CZ2 4.23Å; K97-W190 HydrophobicContact CB-CZ3 3.85Å; K97-W190 HydrophobicContact CG-CD2 4.06Å; K97-W190 HydrophobicContact CG-CE3 4.16Å; K97-W190 HydrophobicContact CG-CH2 3.54Å; K97-W190 HydrophobicContact CG-CZ2 3.4Å; K97-W190 VanDerWaalsContact CG-CZ2 3.4Å; K97-W190 HydrophobicContact CG-CZ3 3.92Å; F101-W190 HydrophobicContact CE2-CB 3.78Å; F101-W190 HydrophobicContact CE2-CD2 4.38Å; F101-W190 AromaticContact CE2-CG 3.84Å; F101-W190 HydrophobicContact CE2-CG 3.84Å; F101-W190 HydrophobicContact CZ-CB 3.89Å; F101-W190 HydrophobicContact CZ-CG 4.23Å; A186-W190 WeakPolarHBondContact O-CB 3.39Å; A186-W190 PolarHBondContact O-N 3.15Å; Y187-W190 HydrophobicContact CD2-CE3 4.38Å; Y187-W190 HydrophobicContact CE2-CE3 4.17Å; Y187-W190 HydrophobicContact CE2-CZ3 4.47Å; Y187-W190 WeakPolarHBondContact O-CB 3.49Å; Y187-W190 PolarHBondContact O-N 3.23Å; Y187-W190 VanDerWaalsContact O-N 3.14Å; W190-S192 PolarHBondContact O-N 3.46Å; W190-R193 PolarHBondContact O-N 3.39Å; W190-R193 VanDerWaalsContact O-N 3.07Å; W190-H194 AromaticContact CD1-CE1 3.35Å; W190-H194 AromaticContact CD1-ND1 3.46Å; W190-H194 HydrophobicContact CD2-CB 4.49Å; W190-H194 AromaticContact CD2-ND1 3.92Å; W190-H194 AromaticContact CE2-CD2 4Å; W190-H194 AromaticContact CE2-CE1 3.95Å; W190-H194 AromaticContact CE2-CG 3.64Å; W190-H194 AromaticContact CE2-ND1 3.61Å; W190-H194 AromaticContact CG-ND1 3.8Å; W190-H194 HydrophobicContact CH2-CB 4.21Å; W190-H194 HydrophobicContact CZ2-CB 3.93Å; W190-H194 AromaticContact CZ2-CG 3.83Å; W190-H194 AromaticContact NE1-CD2 3.77Å; W190-H194 AromaticContact NE1-CE1 3.21Å; W190-H194 PolarHBondContact NE1-CE1 3.37Å; W190-H194 AromaticContact NE1-CG 3.68Å; W190-H194 AromaticContact NE1-ND1 3.32Å; W190-H194 PolarHBondContact NE1-ND1 3.02Å; W190-H194 AromaticContact NE1-NE2 3.47Å; W190-H194 PolarHBondContact NE1-NE2 3.11Å; W190-H194 PolarHBondContact O-N 3.01Å; W190-H194 PolarHBondContact O-ND1 3.22Å; W190-E198 HydrophobicContact CH2-CG 3.69Å; W190-E198 HydrophobicContact CZ3-CG 3.96Å
191K96.8Very high95.3Very high9 Ų964 Ų644%0.03938%0.378CS..Hα-helixtrans-56.4-46.9176.7-72.9-160.9-77.9-164.80113.1Y187 K188 R193 H194 G195 G196 D197 D209Y187-K191 HydrophobicContact CD2-CG 4.3Å; Y187-K191 HydrophobicContact CE1-CD 3.96Å; Y187-K191 VanDerWaalsContact CE1-CE 3.43Å; Y187-K191 HydrophobicContact CE1-CG 4.47Å; Y187-K191 HydrophobicContact CE2-CD 4.01Å; Y187-K191 HydrophobicContact CE2-CG 3.79Å; Y187-K191 WeakPolarHBondContact O-CG 3.45Å; Y187-K191 PolarHBondContact O-N 3.47Å; Y187-K191 WeakPolarHBondContact OH-CD 3.11Å; K188-K191 PolarHBondContact O-N 2.89Å; K191-R193 PolarHBondContact O-N 3.17Å; K191-H194 PolarHBondContact O-N 3.31Å; K191-H194 VanDerWaalsContact O-N 3.13Å; K191-G195 PolarHBondContact O-N 2.94Å; K191-G196 WeakPolarHBondContact CB-O 3.5Å; K191-G196 WeakPolarHBondContact CG-O 3.48Å; K191-G196 PolarHBondContact O-N 2.89Å; K191-D197 WeakPolarHBondContact CD-OD1 3.4Å; K191-D197 WeakPolarHBondContact CE-OD1 3.26Å; K191-D197 IonicContact NZ-OD1 3.06Å; K191-D197 PolarHBondContact NZ-OD1 3.02Å; K191-D209 IonicContact NZ-OD1 3.64Å; K191-D209 PolarHBondContact NZ-OD1 2.84Å; K191-D209 IonicContact NZ-OD2 3.53Å; K191-D209 PolarHBondContact NZ-OD2 3.46Å
192S96.2Very high95Very high88 Ų8867.2 Ų67.262%0.61540%0.4SS*.Hα-helixtrans-62.5-27.2179.874.90000112.7K188 L189 W190K188-S192 PolarHBondContact O-N 2.93Å; L189-S192 PolarHBondContact O-N 3.21Å; L189-S192 PolarHBondContact O-OG 3.21Å; W190-S192 PolarHBondContact O-N 3.46Å
193R97.1Very high94.6Very high181 Ų18172.9 Ų72.968%0.68343%0.427SS*.Hα-helixtrans-86.9-19.2177.6-68.9174.8180-171.50.1114L189 W190 K191L189-R193 WeakPolarHBondContact O-CG 3.49Å; L189-R193 PolarHBondContact O-N 3.32Å; W190-R193 PolarHBondContact O-N 3.39Å; W190-R193 VanDerWaalsContact O-N 3.07Å; K191-R193 PolarHBondContact O-N 3.17Å
194H96.3Very high94.3Very high119 Ų11977.1 Ų77.155%0.55145%0.449SS*.THydrogen-bonded Turntrans-116.817.5-173.1-63.377.3000113.4W190 K191W190-H194 AromaticContact CD1-CE1 3.35Å; W190-H194 AromaticContact CD1-ND1 3.46Å; W190-H194 HydrophobicContact CD2-CB 4.49Å; W190-H194 AromaticContact CD2-ND1 3.92Å; W190-H194 AromaticContact CE2-CD2 4Å; W190-H194 AromaticContact CE2-CE1 3.95Å; W190-H194 AromaticContact CE2-CG 3.64Å; W190-H194 AromaticContact CE2-ND1 3.61Å; W190-H194 AromaticContact CG-ND1 3.8Å; W190-H194 HydrophobicContact CH2-CB 4.21Å; W190-H194 HydrophobicContact CZ2-CB 3.93Å; W190-H194 AromaticContact CZ2-CG 3.83Å; W190-H194 AromaticContact NE1-CD2 3.77Å; W190-H194 AromaticContact NE1-CE1 3.21Å; W190-H194 PolarHBondContact NE1-CE1 3.37Å; W190-H194 AromaticContact NE1-CG 3.68Å; W190-H194 AromaticContact NE1-ND1 3.32Å; W190-H194 PolarHBondContact NE1-ND1 3.02Å; W190-H194 AromaticContact NE1-NE2 3.47Å; W190-H194 PolarHBondContact NE1-NE2 3.11Å; W190-H194 PolarHBondContact O-N 3.01Å; W190-H194 PolarHBondContact O-ND1 3.22Å; K191-H194 PolarHBondContact O-N 3.31Å; K191-H194 VanDerWaalsContact O-N 3.13Å
195G92.7Very high94.1Very high80 Ų8084.9 Ų84.983%0.82549%0.491SS*.THydrogen-bonded Turntrans90.613.7171.200000115.8K191K191-G195 PolarHBondContact O-N 2.94Å
196G93.2Very high94Very high30 Ų3083 Ų8331%0.30948%0.477SS..SBendtrans112.9-147.6175.300000113.6K191K191-G196 WeakPolarHBondContact CB-O 3.5Å; K191-G196 WeakPolarHBondContact CG-O 3.48Å; K191-G196 PolarHBondContact O-N 2.89Å
197D90.8Very high93.9Very high98 Ų9884.7 Ų84.752%0.52448%0.483SS..PPolyproline II helixtrans-74.5144.7179-68.8-48.3000111.4K191 M208K191-D197 WeakPolarHBondContact CD-OD1 3.4Å; K191-D197 WeakPolarHBondContact CE-OD1 3.26Å; K191-D197 IonicContact NZ-OD1 3.06Å; K191-D197 PolarHBondContact NZ-OD1 3.02Å; D197-M208 HydrophobicContact CB-CB 4.4Å; D197-M208 HydrophobicContact CB-CG 4.2Å
198E93.4Very high93.9Very high48 Ų4885 Ų8522%0.22449%0.485CS..PPolyproline II helixtrans-67.4159.9165.5-69.6168.911600110.4K97 W190 G200K97-E198 WeakPolarHBondContact CA-OE2 3.48Å; K97-E198 WeakPolarHBondContact CB-OE2 3.34Å; K97-E198 PolarHBondContact N-OE1 3.3Å; K97-E198 PolarHBondContact N-OE2 3.32Å; W190-E198 HydrophobicContact CH2-CG 3.69Å; W190-E198 HydrophobicContact CZ3-CG 3.96Å; E198-G200 PolarHBondContact O-N 3.15Å
199P90.9Very high93.9Very high117 Ų11781.9 Ų81.976%0.7647%0.473SS*.PPolyproline II helixtrans-53.2140172.2-25.834.9000112.5M208P199-M208 WeakPolarHBondContact O-CE 3.43Å
200G89.8Confident93.9Very high56 Ų5679.6 Ų79.658%0.57746%0.46SS*.  trans-44.8148.417100000113.3E198 M208E198-G200 PolarHBondContact O-N 3.15Å; G200-M208 VanDerWaalsContact CA-CE 3.42Å
201L90.7Very high93.9Very high57 Ų5777.8 Ų77.830%0.29845%0.454SS..  trans-73.1136.9167-72.9-178.7000109.6P96 L204 L211P96-L201 HydrophobicContact CG-CD2 3.78Å; P96-L201 HydrophobicContact CG-CG 4.42Å; L201-L204 HydrophobicContact CB-CB 4.43Å; L201-L204 HydrophobicContact CB-CD1 4.18Å; L201-L204 HydrophobicContact CD1-CD1 3.97Å; L201-L204 PolarHBondContact O-N 3.08Å; L201-L211 HydrophobicContact CD1-CD1 3.88Å; L201-L211 HydrophobicContact CD1-CD2 3.58Å; L201-L211 HydrophobicContact CD1-CG 4.41Å; L201-L211 HydrophobicContact CG-CD2 3.95Å
202P89.8Confident93.9Very high110 Ų11077.3 Ų77.371%0.71445%0.452SS*.THydrogen-bonded Turntrans-60.5143.6174.626.9-33.6000109.7L204P202-L204 PolarHBondContact O-N 2.8Å
203L88.7Confident94Very high183 Ų18373.2 Ų73.296%0.95842%0.423SS*.THydrogen-bonded Turntrans70.73178.1-46.8172.6000116.1
204L90.7Very high94.1Very high91 Ų9168.4 Ų68.448%0.47641%0.411SS..  trans-120.3113.8175.5-65.1176.3000110.7L201 P202 I206L201-L204 HydrophobicContact CB-CB 4.43Å; L201-L204 HydrophobicContact CB-CD1 4.18Å; L201-L204 HydrophobicContact CD1-CD1 3.97Å; L201-L204 PolarHBondContact O-N 3.08Å; P202-L204 PolarHBondContact O-N 2.8Å; L204-I206 HydrophobicContact CB-CD1 4.27Å; L204-I206 HydrophobicContact CB-CG1 4Å; L204-I206 HydrophobicContact CD1-CD1 4.19Å; L204-I206 PolarHBondContact O-N 2.96Å
205D93.3Very high94.1Very high173 Ų17363.1 Ų63.193%0.92539%0.387SS*.  trans-82.864.6172.6-169.424.3000110.5
206I95.6Very high94.4Very high42 Ų4259.5 Ų59.522%0.21535%0.348CS..  trans-135149.2177.566178.4000110.6L204 Q210 L211 L214L204-I206 HydrophobicContact CB-CD1 4.27Å; L204-I206 HydrophobicContact CB-CG1 4Å; L204-I206 HydrophobicContact CD1-CD1 4.19Å; L204-I206 PolarHBondContact O-N 2.96Å; I206-Q210 VanDerWaalsContact CA-OE1 3.32Å; I206-Q210 HydrophobicContact CB-CB 4.12Å; I206-L211 HydrophobicContact CD1-CB 4Å; I206-L211 HydrophobicContact CD1-CD1 4.08Å; I206-L214 HydrophobicContact CD1-CD1 3.68Å
207T96.3Very high94.6Very high71 Ų7159.2 Ų59.244%0.43634%0.343SS..  trans-73.3161.2172.366.50000111.4D209 Q210 L211T207-D209 VanDerWaalsContact C-N 3.28Å; T207-D209 PolarHBondContact O-N 2.87Å; T207-Q210 WeakPolarHBondContact O-CB 3.35Å; T207-Q210 PolarHBondContact O-N 3.24Å; T207-Q210 VanDerWaalsContact O-N 3.16Å; T207-Q210 VanDerWaalsContact OG1-CG 3.31Å; T207-Q210 WeakPolarHBondContact OG1-CG 3.3Å; T207-Q210 PolarHBondContact OG1-N 3.42Å; T207-Q210 VanDerWaalsContact OG1-N 3.12Å; T207-Q210 PolarHBondContact OG1-OE1 3.16Å; T207-L211 PolarHBondContact O-N 3.13Å
208M96.7Very high94.8Very high7 Ų757.3 Ų57.33%0.03434%0.338CS..Hα-helixtrans-66.4-28.7174.9-69.3-66.4127.400113.3A98 Y187 D197 P199 G200 L211 F212A98-M208 HydrophobicContact CB-CB 4.31Å; A98-M208 VanDerWaalsContact CB-O 3.31Å; A98-M208 WeakPolarHBondContact CB-O 3.03Å; A98-M208 HydrophobicContact CB-SD 4.16Å; Y187-M208 WeakPolarHBondContact OH-CB 3.4Å; D197-M208 HydrophobicContact CB-CB 4.4Å; D197-M208 HydrophobicContact CB-CG 4.2Å; P199-M208 WeakPolarHBondContact O-CE 3.43Å; G200-M208 VanDerWaalsContact CA-CE 3.42Å; M208-L211 HydrophobicContact CE-CD2 3.96Å; M208-L211 PolarHBondContact O-N 3.13Å; M208-L211 HydrophobicContact SD-CD2 3.74Å; M208-F212 PolarHBondContact O-N 2.76Å
209D97.3Very high94.6Very high28 Ų2856.7 Ų56.715%0.1533%0.334CS..Hα-helixtrans-67.3-40170.9-78.1-29.9000111.1H184 Y187 K188 K191 T207 F212 F213 A258H184-D209 IonicContact NE2-OD1 3.62Å; Y187-D209 WeakPolarHBondContact CE1-OD1 3.35Å; K188-D209 WeakPolarHBondContact CD-OD1 3.45Å; K188-D209 IonicContact NZ-OD1 2.94Å; K188-D209 IonicContact NZ-OD2 3.68Å; K188-D209 PolarHBondContact NZ-OD2 2.98Å; K191-D209 IonicContact NZ-OD1 3.64Å; K191-D209 PolarHBondContact NZ-OD1 2.84Å; K191-D209 IonicContact NZ-OD2 3.53Å; K191-D209 PolarHBondContact NZ-OD2 3.46Å; T207-D209 VanDerWaalsContact C-N 3.28Å; T207-D209 PolarHBondContact O-N 2.87Å; D209-F212 WeakPolarHBondContact O-CB 3.38Å; D209-F212 PolarHBondContact O-N 3.14Å; D209-F213 WeakPolarHBondContact O-CD2 3.36Å; D209-F213 PolarHBondContact O-N 3.07Å; D209-A258 HydrophobicContact CB-CB 4.37Å
210Q97.9Very high94.8Very high33 Ų3353.9 Ų53.915%0.15431%0.308CS..Hα-helixtrans-64.8-40.8172.4-73.3167.8-31.700111.7I206 T207 F212 F213 L214 A258 F259I206-Q210 VanDerWaalsContact CA-OE1 3.32Å; I206-Q210 HydrophobicContact CB-CB 4.12Å; T207-Q210 WeakPolarHBondContact O-CB 3.35Å; T207-Q210 PolarHBondContact O-N 3.24Å; T207-Q210 VanDerWaalsContact O-N 3.16Å; T207-Q210 VanDerWaalsContact OG1-CG 3.31Å; T207-Q210 WeakPolarHBondContact OG1-CG 3.3Å; T207-Q210 PolarHBondContact OG1-N 3.42Å; T207-Q210 VanDerWaalsContact OG1-N 3.12Å; T207-Q210 PolarHBondContact OG1-OE1 3.16Å; Q210-F212 VanDerWaalsContact C-N 3.3Å; Q210-F212 PolarHBondContact O-N 2.83Å; Q210-F213 PolarHBondContact O-N 2.82Å; Q210-L214 WeakPolarHBondContact O-CG 3.46Å; Q210-L214 PolarHBondContact O-N 2.89Å; Q210-A258 HydrophobicContact CG-CB 4.29Å; Q210-A258 VanDerWaalsContact CG-O 3.25Å; Q210-A258 WeakPolarHBondContact CG-O 3.41Å; Q210-A258 PolarHBondContact NE2-O 2.9Å; Q210-F259 HydrophobicContact CB-CE1 4.17Å; Q210-F259 HydrophobicContact CB-CE2 4.18Å; Q210-F259 HydrophobicContact CB-CZ 3.74Å; Q210-F259 HydrophobicContact CG-CD1 4.27Å; Q210-F259 HydrophobicContact CG-CD2 4.3Å; Q210-F259 HydrophobicContact CG-CE1 3.94Å; Q210-F259 HydrophobicContact CG-CE2 3.96Å; Q210-F259 HydrophobicContact CG-CG 4.44Å; Q210-F259 HydrophobicContact CG-CZ 3.77Å
211L97.3Very high95.1Very high12 Ų1256.5 Ų56.56%0.06332%0.317CS..Hα-helixtrans-60.3-38.8175.6-179.860.5000111.9P96 A98 V99 L201 I206 T207 M208 F213 L214 S215P96-L211 HydrophobicContact CB-CD2 4.28Å; P96-L211 HydrophobicContact CG-CD2 4.35Å; A98-L211 HydrophobicContact CB-CB 4.27Å; A98-L211 HydrophobicContact CB-CD2 4.13Å; A98-L211 HydrophobicContact CB-CG 4.18Å; V99-L211 HydrophobicContact CG2-CD1 4.07Å; V99-L211 HydrophobicContact CG2-CD2 3.86Å; V99-L211 HydrophobicContact CG2-CG 3.9Å; L201-L211 HydrophobicContact CD1-CD1 3.88Å; L201-L211 HydrophobicContact CD1-CD2 3.58Å; L201-L211 HydrophobicContact CD1-CG 4.41Å; L201-L211 HydrophobicContact CG-CD2 3.95Å; I206-L211 HydrophobicContact CD1-CB 4Å; I206-L211 HydrophobicContact CD1-CD1 4.08Å; T207-L211 PolarHBondContact O-N 3.13Å; M208-L211 HydrophobicContact CE-CD2 3.96Å; M208-L211 PolarHBondContact O-N 3.13Å; M208-L211 HydrophobicContact SD-CD2 3.74Å; L211-F213 PolarHBondContact O-N 3.08Å; L211-L214 PolarHBondContact O-N 2.79Å; L211-S215 VanDerWaalsContact O-CB 3.27Å; L211-S215 WeakPolarHBondContact O-CB 3.43Å; L211-S215 PolarHBondContact O-N 3.18Å; L211-S215 PolarHBondContact O-OG 2.93Å
212F98Very high95.2Very high0 Ų057.1 Ų57.10%034%0.337CS..Hα-helixtrans-55.7-51173.3169-81.1000111.2A98 F101 G102 L180 A183 H184 Y187 M208 D209 Q210 S215 F216A98-F212 HydrophobicContact CB-CB 4.37Å; A98-F212 WeakPolarHBondContact O-CA 3.32Å; F101-F212 VanDerWaalsContact C-CE2 3.44Å; F101-F212 HydrophobicContact CB-CD2 3.96Å; F101-F212 HydrophobicContact CB-CE2 3.83Å; G102-F212 VanDerWaalsContact CA-CE2 3.46Å; L180-F212 HydrophobicContact CD1-CE1 3.72Å; L180-F212 HydrophobicContact CD1-CZ 4.19Å; A183-F212 HydrophobicContact CB-CE2 4.18Å; A183-F212 HydrophobicContact CB-CZ 4.05Å; H184-F212 VanDerWaalsContact CA-CZ 3.47Å; H184-F212 HydrophobicContact CB-CD1 4.34Å; H184-F212 HydrophobicContact CB-CE1 3.58Å; H184-F212 HydrophobicContact CB-CE2 4.13Å; H184-F212 HydrophobicContact CB-CZ 3.47Å; H184-F212 VanDerWaalsContact CB-CZ 3.47Å; H184-F212 AromaticContact CD2-CD1 3.57Å; H184-F212 AromaticContact CD2-CE1 3.72Å; H184-F212 AromaticContact CD2-CG 3.96Å; H184-F212 AromaticContact CG-CE1 3.95Å; Y187-F212 HydrophobicContact CD1-CB 4.3Å; Y187-F212 HydrophobicContact CD1-CD2 4.04Å; Y187-F212 HydrophobicContact CD1-CG 4.34Å; Y187-F212 HydrophobicContact CE1-CB 4.32Å; Y187-F212 HydrophobicContact CG-CD2 4.22Å; M208-F212 PolarHBondContact O-N 2.76Å; D209-F212 WeakPolarHBondContact O-CB 3.38Å; D209-F212 PolarHBondContact O-N 3.14Å; Q210-F212 VanDerWaalsContact C-N 3.3Å; Q210-F212 PolarHBondContact O-N 2.83Å; F212-S215 PolarHBondContact O-N 3.04Å; F212-F216 PolarHBondContact O-N 2.82Å
213F98.5Very high95.2Very high2 Ų261.3 Ų61.31%0.00935%0.347CS..Hα-helixtrans-70.6-35.9-177.7-66.2-61.3000112.9L180 H184 D209 Q210 L211 S215 F216 A217 L249 Y252 P254 F255 A258 F259L180-F213 HydrophobicContact CD1-CD1 4.21Å; L180-F213 HydrophobicContact CD1-CE1 4.23Å; H184-F213 AromaticContact CD2-CZ 3.74Å; H184-F213 AromaticContact CE1-CZ 3.94Å; H184-F213 AromaticContact NE2-CE2 3.98Å; H184-F213 AromaticContact NE2-CZ 3.67Å; D209-F213 WeakPolarHBondContact O-CD2 3.36Å; D209-F213 PolarHBondContact O-N 3.07Å; Q210-F213 PolarHBondContact O-N 2.82Å; L211-F213 PolarHBondContact O-N 3.08Å; F213-S215 VanDerWaalsContact C-N 3.3Å; F213-F216 PolarHBondContact O-N 3.02Å; F213-A217 WeakPolarHBondContact O-CB 3.49Å; F213-A217 PolarHBondContact O-N 3.03Å; F213-L249 HydrophobicContact CD1-CD2 3.66Å; F213-L249 HydrophobicContact CE1-CD2 4.36Å; F213-L249 HydrophobicContact CG-CD2 4.41Å; F213-Y252 AromaticContact CE1-CD1 3.66Å; F213-Y252 HydrophobicContact CE1-CD1 3.66Å; F213-Y252 AromaticContact CE1-CE1 3.72Å; F213-Y252 HydrophobicContact CE1-CE1 3.72Å; F213-Y252 AromaticContact CZ-CD1 3.96Å; F213-Y252 HydrophobicContact CZ-CD1 3.96Å; F213-Y252 AromaticContact CZ-CE1 3.79Å; F213-Y252 HydrophobicContact CZ-CE1 3.79Å; F213-P254 HydrophobicContact CZ-CB 4.32Å; F213-F255 HydrophobicContact CB-CD2 3.95Å; F213-F255 HydrophobicContact CB-CE2 4.45Å; F213-F255 HydrophobicContact CD1-CB 4.04Å; F213-F255 HydrophobicContact CD1-CD2 4.04Å; F213-F255 HydrophobicContact CD2-CB 4.42Å; F213-F255 HydrophobicContact CD2-CD2 4.11Å; F213-F255 HydrophobicContact CE1-CB 3.82Å; F213-F255 HydrophobicContact CE2-CB 4.22Å; F213-F255 HydrophobicContact CG-CB 4.35Å; F213-F255 AromaticContact CG-CD2 3.76Å; F213-F255 HydrophobicContact CG-CD2 3.76Å; F213-F255 HydrophobicContact CZ-CB 3.93Å; F213-A258 HydrophobicContact CD2-CB 3.94Å; F213-A258 HydrophobicContact CE2-CB 3.7Å; F213-F259 HydrophobicContact CB-CE2 3.77Å; F213-F259 HydrophobicContact CB-CZ 4.37Å; F213-F259 AromaticContact CD2-CE2 3.93Å; F213-F259 HydrophobicContact CD2-CE2 3.93Å; F213-F259 HydrophobicContact CG-CE2 4.22Å
214L97.6Very high95.3Very high80 Ų8056.1 Ų56.142%0.41932%0.323SS..Hα-helixtrans-64.6-37.6172.7-71.8175.9000111.4I206 Q210 L211 A217 S218 F259I206-L214 HydrophobicContact CD1-CD1 3.68Å; Q210-L214 WeakPolarHBondContact O-CG 3.46Å; Q210-L214 PolarHBondContact O-N 2.89Å; L211-L214 PolarHBondContact O-N 2.79Å; L214-A217 PolarHBondContact O-N 3.22Å; L214-S218 VanDerWaalsContact O-CB 3.27Å; L214-S218 WeakPolarHBondContact O-CB 3.23Å; L214-S218 PolarHBondContact O-N 3.47Å; L214-S218 PolarHBondContact O-OG 3.07Å; L214-F259 HydrophobicContact CD2-CZ 4.39Å; L214-F259 HydrophobicContact CG-CZ 4.17Å
215S97.4Very high95.4Very high7 Ų756.4 Ų56.45%0.04933%0.325CS..Hα-helixtrans-68.9-38.9176.5-55.60000111.8T103 L211 F212 F213 A217 S218T103-S215 VanDerWaalsContact CG2-O 3.31Å; T103-S215 WeakPolarHBondContact CG2-O 3.2Å; L211-S215 VanDerWaalsContact O-CB 3.27Å; L211-S215 WeakPolarHBondContact O-CB 3.43Å; L211-S215 PolarHBondContact O-N 3.18Å; L211-S215 PolarHBondContact O-OG 2.93Å; F212-S215 PolarHBondContact O-N 3.04Å; F213-S215 VanDerWaalsContact C-N 3.3Å; S215-A217 VanDerWaalsContact C-N 3.33Å; S215-S218 PolarHBondContact O-N 3.15Å; S215-S218 PolarHBondContact O-OG 3.33Å; S215-S218 VanDerWaalsContact O-OG 3.08Å
216F98Very high95.5Very high4 Ų453.6 Ų53.62%0.01831%0.306CS..Hα-helixtrans-59.6-43.3169.7169-98.3000111.9G102 L180 F212 F213 F219 W220 P248 L249G102-F216 VanDerWaalsContact O-CA 3.27Å; G102-F216 WeakPolarHBondContact O-CA 3.32Å; G102-F216 WeakPolarHBondContact O-CB 3.48Å; L180-F216 HydrophobicContact CB-CE2 4.2Å; L180-F216 HydrophobicContact CB-CZ 4.41Å; L180-F216 HydrophobicContact CD1-CB 4.28Å; L180-F216 HydrophobicContact CD1-CD1 3.94Å; L180-F216 HydrophobicContact CD1-CD2 3.82Å; L180-F216 HydrophobicContact CD1-CE1 4.23Å; L180-F216 HydrophobicContact CD1-CE2 4.11Å; L180-F216 HydrophobicContact CD1-CG 3.73Å; L180-F216 HydrophobicContact CD1-CZ 4.3Å; L180-F216 HydrophobicContact CD2-CE1 4.49Å; F212-F216 PolarHBondContact O-N 2.82Å; F213-F216 PolarHBondContact O-N 3.02Å; F216-F219 HydrophobicContact CD2-CE1 4.05Å; F216-F219 WeakPolarHBondContact O-CD1 3.21Å; F216-F219 WeakPolarHBondContact O-CE1 3.38Å; F216-W220 AromaticContact CE2-NE1 3.94Å; F216-W220 AromaticContact CZ-NE1 3.95Å; F216-P248 HydrophobicContact CE1-CB 4.48Å; F216-P248 HydrophobicContact CZ-CB 4.19Å; F216-P248 HydrophobicContact CZ-CG 4.26Å; F216-L249 HydrophobicContact CD1-CD1 4.38Å; F216-L249 HydrophobicContact CD1-CD2 3.94Å; F216-L249 HydrophobicContact CD1-CG 4.19Å; F216-L249 HydrophobicContact CE1-CD1 4.49Å; F216-L249 HydrophobicContact CE1-CD2 4.12Å; F216-L249 HydrophobicContact CE1-CG 4.03Å
217A98.2Very high95.4Very high25 Ų2560 Ų6021%0.20733%0.332CS..Hα-helixtrans-72.1-35.9-179.300000113.1F213 L214 S215 F219 W220 V245F213-A217 WeakPolarHBondContact O-CB 3.49Å; F213-A217 PolarHBondContact O-N 3.03Å; L214-A217 PolarHBondContact O-N 3.22Å; S215-A217 VanDerWaalsContact C-N 3.33Å; A217-F219 PolarHBondContact O-N 3.12Å; A217-W220 PolarHBondContact O-N 2.94Å; A217-V245 HydrophobicContact CB-CG1 3.72Å; A217-V245 HydrophobicContact CB-CG2 4.29Å
218S94.8Very high95.3Very high58 Ų5860 Ų6041%0.40633%0.333SS..Hα-helixtrans-68.1-31.7-168.467.20000113.7L214 S215 W220 C221L214-S218 VanDerWaalsContact O-CB 3.27Å; L214-S218 WeakPolarHBondContact O-CB 3.23Å; L214-S218 PolarHBondContact O-N 3.47Å; L214-S218 PolarHBondContact O-OG 3.07Å; S215-S218 PolarHBondContact O-N 3.15Å; S215-S218 PolarHBondContact O-OG 3.33Å; S215-S218 VanDerWaalsContact O-OG 3.08Å; S218-W220 PolarHBondContact O-N 3.06Å; S218-C221 WeakPolarHBondContact O-CB 3.36Å; S218-C221 PolarHBondContact O-N 2.89Å; S218-C221 VanDerWaalsContact O-N 3.16Å; S218-C221 PolarHBondContact O-SG 2.92Å
219F89.6Confident95.2Very high34 Ų3460.9 Ų60.915%0.14934%0.337CS..THydrogen-bonded Turntrans-75.3-11.7179.379.9-98.7000113.3F90 T103 I107 F216 A217F90-F219 HydrophobicContact CD1-CB 4.26Å; F90-F219 HydrophobicContact CD1-CG 4.36Å; F90-F219 HydrophobicContact CE1-CB 3.67Å; F90-F219 AromaticContact CE1-CD2 3.66Å; F90-F219 HydrophobicContact CE1-CD2 3.66Å; F90-F219 HydrophobicContact CE1-CE2 4.39Å; F90-F219 AromaticContact CE1-CG 3.79Å; F90-F219 HydrophobicContact CE1-CG 3.79Å; T103-F219 HydrophobicContact CG2-CD1 4.15Å; I107-F219 HydrophobicContact CG1-CE2 4.39Å; I107-F219 HydrophobicContact CG1-CZ 4.27Å; F216-F219 HydrophobicContact CD2-CE1 4.05Å; F216-F219 WeakPolarHBondContact O-CD1 3.21Å; F216-F219 WeakPolarHBondContact O-CE1 3.38Å; A217-F219 PolarHBondContact O-N 3.12Å
220W94.7Very high95.1Very high58 Ų5864 Ų6422%0.2235%0.347CS..THydrogen-bonded Turntrans-90.41.8170.8-60.2113.6000113.6F216 A217 S218 G222 R244 V245F216-W220 AromaticContact CE2-NE1 3.94Å; F216-W220 AromaticContact CZ-NE1 3.95Å; A217-W220 PolarHBondContact O-N 2.94Å; S218-W220 PolarHBondContact O-N 3.06Å; W220-G222 PolarHBondContact O-N 3.11Å; W220-R244 HydrophobicContact CD2-CB 4.21Å; W220-R244 HydrophobicContact CZ2-CB 4.45Å; W220-V245 HydrophobicContact CB-CG2 3.54Å; W220-V245 VanDerWaalsContact CD1-CG2 3.49Å; W220-V245 HydrophobicContact CG-CG2 3.77Å
221C95.3Very high95Very high111 Ų11165.3 Ų65.375%0.7536%0.36SS*.  trans-60.1119176.1-76.10000110.6S218S218-C221 WeakPolarHBondContact O-CB 3.36Å; S218-C221 PolarHBondContact O-N 2.89Å; S218-C221 VanDerWaalsContact O-N 3.16Å; S218-C221 PolarHBondContact O-SG 2.92Å
222G93.1Very high94.9Very high70 Ų7066.7 Ų66.772%0.72237%0.366SS*.  trans-175.3163.7178.100000111.3W220W220-G222 PolarHBondContact O-N 3.11Å
223Q91.3Very high94.7Very high199 Ų19967.7 Ų67.793%0.9337%0.371SS*.  trans-126.3150.5171.9-65.2-168.15.200109.7
224T89.7Confident94.5Very high73 Ų7374.6 Ų74.645%0.44840%0.403SS..  trans-133130.6-177.4-53.50000107.9T228 L229T224-T228 VanDerWaalsContact CG2-CB 3.47Å; T224-T228 HydrophobicContact CG2-CG2 3.44Å; T224-T228 VanDerWaalsContact CG2-CG2 3.44Å; T224-L229 HydrophobicContact CG2-CB 4.1Å
225N93.6Very high94.3Very high98 Ų9876 Ų7652%0.52442%0.416SS..  trans-66.8160.3175.569.259000110.9K227 T228 L229N225-K227 VanDerWaalsContact C-N 3.3Å; N225-K227 PolarHBondContact O-N 3.23Å; N225-K227 WeakPolarHBondContact OD1-CB 3.37Å; N225-K227 PolarHBondContact OD1-N 3.13Å; N225-K227 VanDerWaalsContact OD1-N 3.13Å; N225-T228 PolarHBondContact ND2-OG1 2.88Å; N225-T228 PolarHBondContact O-N 2.79Å; N225-T228 PolarHBondContact OD1-N 3.24Å; N225-T228 PolarHBondContact OD1-OG1 3.13Å; N225-L229 WeakPolarHBondContact O-CB 3.45Å; N225-L229 PolarHBondContact O-N 3.05Å
226E94.1Very high94Very high113 Ų11377.1 Ų77.153%0.52843%0.425SS..Hα-helixtrans-54.9-43.1-175.9-171-169.6137.700112.8L160 L229 R230L160-E226 HydrophobicContact CD2-CG 3.34Å; L160-E226 HydrophobicContact CG-CG 4.37Å; E226-L229 PolarHBondContact O-N 2.9Å; E226-R230 WeakPolarHBondContact O-CB 3.44Å; E226-R230 PolarHBondContact O-N 3.01Å; E226-R230 IonicContact OE1-NH2 3.14Å; E226-R230 PolarHBondContact OE1-NH2 3.01Å; E226-R230 VanDerWaalsContact OE1-NH2 3.14Å
227K94.3Very high93.9Very high176 Ų17679.5 Ų79.577%0.76544%0.443SS*.Hα-helixtrans-62.7-47.5-178.2-177.1-178.3178.2-178.20111.5N225 R230 S231N225-K227 VanDerWaalsContact C-N 3.3Å; N225-K227 PolarHBondContact O-N 3.23Å; N225-K227 WeakPolarHBondContact OD1-CB 3.37Å; N225-K227 PolarHBondContact OD1-N 3.13Å; N225-K227 VanDerWaalsContact OD1-N 3.13Å; K227-R230 PolarHBondContact O-N 3.06Å; K227-S231 PolarHBondContact O-N 3.36Å
228T93.9Very high93.9Very high73 Ų7381.7 Ų81.745%0.44845%0.448SS..Hα-helixtrans-66.4-40.2178.2-59.40000110.7T224 N225 S231 Q232T224-T228 VanDerWaalsContact CG2-CB 3.47Å; T224-T228 HydrophobicContact CG2-CG2 3.44Å; T224-T228 VanDerWaalsContact CG2-CG2 3.44Å; N225-T228 PolarHBondContact ND2-OG1 2.88Å; N225-T228 PolarHBondContact O-N 2.79Å; N225-T228 PolarHBondContact OD1-N 3.24Å; N225-T228 PolarHBondContact OD1-OG1 3.13Å; T228-S231 PolarHBondContact O-N 3.29Å; T228-Q232 WeakPolarHBondContact O-CB 3.47Å; T228-Q232 PolarHBondContact O-N 3.12Å
229L95.2Very high94Very high25 Ų2579 Ų7913%0.13143%0.43CS..Hα-helixtrans-64.3-43.6177.117961000111.6F157 L160 T224 N225 E226 S231 Q232 L233 P240F157-L229 HydrophobicContact CD1-CD2 3.64Å; F157-L229 HydrophobicContact CE1-CD1 4Å; F157-L229 HydrophobicContact CE1-CD2 3.6Å; F157-L229 HydrophobicContact CE1-CG 4.31Å; F157-L229 HydrophobicContact CG-CD2 4.38Å; F157-L229 HydrophobicContact CZ-CD1 3.91Å; F157-L229 HydrophobicContact CZ-CD2 4.32Å; L160-L229 HydrophobicContact CD1-CB 4.28Å; L160-L229 HydrophobicContact CD1-CD2 3.67Å; L160-L229 HydrophobicContact CD1-CG 3.65Å; T224-L229 HydrophobicContact CG2-CB 4.1Å; N225-L229 WeakPolarHBondContact O-CB 3.45Å; N225-L229 PolarHBondContact O-N 3.05Å; E226-L229 PolarHBondContact O-N 2.9Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.04Å; L229-Q232 WeakPolarHBondContact O-CB 3.41Å; L229-Q232 PolarHBondContact O-N 3.49Å; L229-L233 HydrophobicContact CD1-CD1 4.07Å; L229-L233 HydrophobicContact CD1-CG 4.15Å; L229-L233 HydrophobicContact CG-CD1 4.01Å; L229-L233 HydrophobicContact CG-CG 4.5Å; L229-L233 VanDerWaalsContact O-CG 3.25Å; L229-L233 WeakPolarHBondContact O-CG 3.26Å; L229-L233 PolarHBondContact O-N 2.92Å; L229-P240 HydrophobicContact CD1-CB 4.23Å; L229-P240 HydrophobicContact CD1-CG 3.81Å
230R95Very high94.3Very high93 Ų9378 Ų7835%0.35143%0.426SS..Hα-helixtrans-58.5-45.9174.6-174.6-178.7-63.6-81.12.7111.2L160 E226 K227 L233 Q234L160-R230 HydrophobicContact CD2-CB 4.1Å; L160-R230 PolarHBondContact O-NH1 2.89Å; E226-R230 WeakPolarHBondContact O-CB 3.44Å; E226-R230 PolarHBondContact O-N 3.01Å; E226-R230 IonicContact OE1-NH2 3.14Å; E226-R230 PolarHBondContact OE1-NH2 3.01Å; E226-R230 VanDerWaalsContact OE1-NH2 3.14Å; K227-R230 PolarHBondContact O-N 3.06Å; R230-L233 PolarHBondContact O-N 3.43Å; R230-Q234 WeakPolarHBondContact O-CG 3.33Å; R230-Q234 PolarHBondContact O-N 3.27Å
231S94.9Very high94.4Very high60 Ų6076.4 Ų76.442%0.4243%0.428SS..Hα-helixtrans-61.2-46.9175.4-172.10000111.2K227 T228 L229 L233 Q234 T235K227-S231 PolarHBondContact O-N 3.36Å; T228-S231 PolarHBondContact O-N 3.29Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.04Å; S231-L233 VanDerWaalsContact C-N 3.33Å; S231-L233 PolarHBondContact O-N 3.34Å; S231-Q234 PolarHBondContact O-N 3.41Å; S231-Q234 VanDerWaalsContact O-N 3.07Å; S231-T235 PolarHBondContact O-N 2.94Å; S231-T235 PolarHBondContact O-OG1 3.36Å
232Q95Very high94.4Very high41 Ų4177.6 Ų77.619%0.19242%0.42CS..Hα-helixtrans-57.3-46.6179.8-175.2-179.24.500111.4T228 L229 Q234 T235 A236 H238T228-Q232 WeakPolarHBondContact O-CB 3.47Å; T228-Q232 PolarHBondContact O-N 3.12Å; L229-Q232 WeakPolarHBondContact O-CB 3.41Å; L229-Q232 PolarHBondContact O-N 3.49Å; Q232-Q234 PolarHBondContact O-N 3.46Å; Q232-Q234 VanDerWaalsContact O-N 3.16Å; Q232-T235 PolarHBondContact O-N 3.46Å; Q232-A236 HydrophobicContact CB-CB 4.34Å; Q232-A236 HydrophobicContact CG-CB 3.53Å; Q232-A236 VanDerWaalsContact O-CB 3.26Å; Q232-A236 WeakPolarHBondContact O-CB 3.47Å; Q232-A236 PolarHBondContact O-N 2.95Å; Q232-H238 PolarHBondContact NE2-O 2.88Å; Q232-H238 VanDerWaalsContact NE2-O 3.17Å
233L95.2Very high94.7Very high21 Ų2175.3 Ų75.311%0.1139%0.39CS..Hα-helixtrans-65-18.3-179.7-66.4169.6000113.5F157 L160 T162 I164 L229 R230 S231 P240F157-L233 HydrophobicContact CD2-CD1 3.5Å; F157-L233 HydrophobicContact CD2-CD2 4.15Å; F157-L233 HydrophobicContact CD2-CG 4.49Å; F157-L233 HydrophobicContact CE2-CD1 3.73Å; F157-L233 HydrophobicContact CE2-CD2 3.63Å; F157-L233 HydrophobicContact CE2-CG 4.3Å; F157-L233 HydrophobicContact CG-CD1 4.09Å; F157-L233 HydrophobicContact CZ-CD1 4.44Å; F157-L233 HydrophobicContact CZ-CD2 4.4Å; L160-L233 HydrophobicContact CD1-CD1 3.64Å; T162-L233 HydrophobicContact CG2-CB 4.2Å; T162-L233 HydrophobicContact CG2-CD1 3.51Å; T162-L233 HydrophobicContact CG2-CG 4.44Å; I164-L233 HydrophobicContact CG1-CD2 3.78Å; L229-L233 HydrophobicContact CD1-CD1 4.07Å; L229-L233 HydrophobicContact CD1-CG 4.15Å; L229-L233 HydrophobicContact CG-CD1 4.01Å; L229-L233 HydrophobicContact CG-CG 4.5Å; L229-L233 VanDerWaalsContact O-CG 3.25Å; L229-L233 WeakPolarHBondContact O-CG 3.26Å; L229-L233 PolarHBondContact O-N 2.92Å; R230-L233 PolarHBondContact O-N 3.43Å; S231-L233 VanDerWaalsContact C-N 3.33Å; S231-L233 PolarHBondContact O-N 3.34Å; L233-P240 HydrophobicContact CD2-CG 3.99Å
234Q92.9Very high95Very high147 Ų14766.7 Ų66.769%0.68735%0.349SS*.Hα-helixtrans-97-35.4178.4-70.1177.2-19.900113.2R230 S231 Q232R230-Q234 WeakPolarHBondContact O-CG 3.33Å; R230-Q234 PolarHBondContact O-N 3.27Å; S231-Q234 PolarHBondContact O-N 3.41Å; S231-Q234 VanDerWaalsContact O-N 3.07Å; Q232-Q234 PolarHBondContact O-N 3.46Å; Q232-Q234 VanDerWaalsContact O-N 3.16Å
235T94Very high95.4Very high110 Ų11064.3 Ų64.368%0.67533%0.334SS*.Hα-helixtrans-122.7-19.9-165.966.60000115.2S231 Q232S231-T235 PolarHBondContact O-N 2.94Å; S231-T235 PolarHBondContact O-OG1 3.36Å; Q232-T235 PolarHBondContact O-N 3.46Å
236A92.1Very high95.6Very high31 Ų3160.3 Ų60.326%0.25631%0.313SS..  trans-84.9142.2-174.900000111.9Q232 H238Q232-A236 HydrophobicContact CB-CB 4.34Å; Q232-A236 HydrophobicContact CG-CB 3.53Å; Q232-A236 VanDerWaalsContact O-CB 3.26Å; Q232-A236 WeakPolarHBondContact O-CB 3.47Å; Q232-A236 PolarHBondContact O-N 2.95Å; A236-H238 VanDerWaalsContact C-N 3.27Å
237S95.9Very high95.7Very high54 Ų5455 Ų5538%0.37829%0.288SS..SBendtrans-71.8-23.8166.256.50000112.1T169 E172T169-S237 WeakPolarHBondContact CA-O 3.39Å; T169-S237 VanDerWaalsContact CB-O 3.31Å; T169-S237 WeakPolarHBondContact CB-O 3.31Å; T169-S237 WeakPolarHBondContact CG2-O 3.35Å; E172-S237 WeakPolarHBondContact CG-O 3.05Å
238H96.8Very high95.9Very high71 Ų7146.6 Ų46.633%0.32925%0.251SS..SBendtrans-91.3133-176.9-60.598.4000112.2E172 Q232 A236 R244E172-H238 HydrophobicContact CG-CB 4.48Å; E172-H238 WeakPolarHBondContact CG-CD2 3.46Å; E172-H238 IonicContact OE1-NE2 3.36Å; E172-H238 IonicContact OE2-CD2 3.41Å; E172-H238 PolarHBondContact OE2-CD2 2.76Å; E172-H238 IonicContact OE2-NE2 2.76Å; E172-H238 PolarHBondContact OE2-NE2 2.89Å; Q232-H238 PolarHBondContact NE2-O 2.88Å; Q232-H238 VanDerWaalsContact NE2-O 3.17Å; A236-H238 VanDerWaalsContact C-N 3.27Å; H238-R244 VanDerWaalsContact CD2-CZ 3.5Å; H238-R244 PolarHBondContact CD2-NH1 3.48Å
239S97.5Very high96Very high2 Ų243.4 Ų43.41%0.01423%0.231CC..PPolyproline II helixtrans-57.9149.5164-70.10000110.9Y152 N173 R244Y152-S239 VanDerWaalsContact CD1-OG 3.27Å; Y152-S239 WeakPolarHBondContact CD1-OG 3.43Å; Y152-S239 WeakPolarHBondContact CE1-OG 3.21Å; N173-S239 WeakPolarHBondContact OD1-CB 3.4Å; N173-S239 PolarHBondContact OD1-OG 2.88Å; S239-R244 WeakPolarHBondContact O-CD 3.34Å; S239-R244 VanDerWaalsContact O-CG 3.31Å; S239-R244 WeakPolarHBondContact O-CG 3.31Å
240P96.4Very high96.1Very high11 Ų1143.3 Ų43.37%0.07123%0.23CC..PPolyproline II helixtrans-55.2144.2171.2-2737.1000111.9F157 I164 L229 L233 K242 Y243 R244F157-P240 HydrophobicContact CE2-CG 4.39Å; F157-P240 HydrophobicContact CZ-CB 4.34Å; F157-P240 HydrophobicContact CZ-CG 3.92Å; I164-P240 HydrophobicContact CD1-CG 4.42Å; L229-P240 HydrophobicContact CD1-CB 4.23Å; L229-P240 HydrophobicContact CD1-CG 3.81Å; L233-P240 HydrophobicContact CD2-CG 3.99Å; P240-K242 VanDerWaalsContact C-N 3.28Å; P240-K242 PolarHBondContact O-N 3.43Å; P240-K242 VanDerWaalsContact O-N 3.1Å; P240-Y243 HydrophobicContact CB-CD2 4.28Å; P240-Y243 WeakPolarHBondContact O-CA 3.39Å; P240-Y243 PolarHBondContact O-N 3.39Å; P240-R244 PolarHBondContact O-N 3.28Å; P240-R244 VanDerWaalsContact O-N 3.15Å
241G96.3Very high96.1Very high25 Ų2539 Ų3926%0.25821%0.213SC..Hα-helixtrans-50.8-42.4-169.300000114.4Y243 R244 V245G241-Y243 PolarHBondContact O-N 3.44Å; G241-R244 WeakPolarHBondContact O-CB 3.35Å; G241-R244 PolarHBondContact O-N 2.92Å; G241-V245 PolarHBondContact O-N 3.44Å; G241-V245 VanDerWaalsContact O-N 3.12Å
242K96.4Very high96.2Very high136 Ų13637.1 Ų37.159%0.59120%0.197SC*.Hα-helixtrans-51.9-40.1174177.9-179.8176.3-175.70113P240 V245 I246P240-K242 VanDerWaalsContact C-N 3.28Å; P240-K242 PolarHBondContact O-N 3.43Å; P240-K242 VanDerWaalsContact O-N 3.1Å; K242-V245 PolarHBondContact O-N 3.15Å; K242-I246 HydrophobicContact CD-CD1 4.22Å; K242-I246 HydrophobicContact CG-CD1 3.65Å; K242-I246 WeakPolarHBondContact O-CG1 3.39Å; K242-I246 PolarHBondContact O-N 3.43Å
243Y97.4Very high96.2Very high22 Ų2236.2 Ų36.29%0.08620%0.196CC..Hα-helixtrans-86.9-19.6-178.7-62.9-66.9000113.4Y155 F157 I164 P240 G241 V245 I246 G247Y155-Y243 AromaticContact CD1-CD1 3.4Å; Y155-Y243 HydrophobicContact CD1-CD1 3.4Å; Y155-Y243 VanDerWaalsContact CD1-CD1 3.4Å; Y155-Y243 AromaticContact CD1-CE1 3.22Å; Y155-Y243 HydrophobicContact CD1-CE1 3.22Å; Y155-Y243 HydrophobicContact CD1-CG 4.43Å; Y155-Y243 AromaticContact CD2-CD1 3.58Å; Y155-Y243 HydrophobicContact CD2-CD1 3.58Å; Y155-Y243 HydrophobicContact CD2-CE1 4.18Å; Y155-Y243 AromaticContact CD2-CG 3.91Å; Y155-Y243 HydrophobicContact CD2-CG 3.91Å; Y155-Y243 AromaticContact CE1-CD1 3.74Å; Y155-Y243 HydrophobicContact CE1-CD1 3.74Å; Y155-Y243 AromaticContact CE1-CE1 3.85Å; Y155-Y243 HydrophobicContact CE1-CE1 3.85Å; Y155-Y243 AromaticContact CE2-CD1 3.91Å; Y155-Y243 HydrophobicContact CE2-CD1 3.91Å; Y155-Y243 HydrophobicContact CE2-CG 4.42Å; Y155-Y243 AromaticContact CG-CD1 3.31Å; Y155-Y243 HydrophobicContact CG-CD1 3.31Å; Y155-Y243 AromaticContact CG-CE1 3.42Å; Y155-Y243 HydrophobicContact CG-CE1 3.42Å; Y155-Y243 VanDerWaalsContact CG-CE1 3.42Å; Y155-Y243 AromaticContact CG-CG 3.92Å; Y155-Y243 HydrophobicContact CG-CG 3.92Å; Y155-Y243 AromaticContact CZ-CD1 3.98Å; F157-Y243 AromaticContact CE1-CE2 3.99Å; F157-Y243 HydrophobicContact CE1-CE2 3.99Å; F157-Y243 AromaticContact CE2-CE2 3.93Å; F157-Y243 HydrophobicContact CE2-CE2 3.93Å; F157-Y243 HydrophobicContact CZ-CD2 4Å; F157-Y243 AromaticContact CZ-CE2 3.39Å; F157-Y243 HydrophobicContact CZ-CE2 3.39Å; I164-Y243 HydrophobicContact CD1-CD2 3.58Å; I164-Y243 HydrophobicContact CD1-CE2 4.31Å; I164-Y243 HydrophobicContact CD1-CG 3.8Å; P240-Y243 HydrophobicContact CB-CD2 4.28Å; P240-Y243 WeakPolarHBondContact O-CA 3.39Å; P240-Y243 PolarHBondContact O-N 3.39Å; G241-Y243 PolarHBondContact O-N 3.44Å; Y243-V245 PolarHBondContact O-N 3.18Å; Y243-I246 HydrophobicContact CD1-CB 4.49Å; Y243-I246 HydrophobicContact CD1-CD1 4.32Å; Y243-I246 HydrophobicContact CE1-CD1 4.37Å; Y243-G247 WeakPolarHBondContact O-CA 3.46Å; Y243-G247 PolarHBondContact O-N 3.14Å
244R98.1Very high96.2Very high19 Ų1936.4 Ų36.47%0.07220%0.199CC..Hα-helixtrans-67.8-20.5163.1-58.1-16975.4170.15.4112.5H110 E172 D176 W220 H238 S239 P240 G241 P248H110-R244 PolarHBondContact CE1-NH2 2.85Å; E172-R244 IonicContact OE2-NH2 3.3Å; D176-R244 IonicContact OD1-CZ 2.77Å; D176-R244 IonicContact OD1-NE 3.53Å; D176-R244 PolarHBondContact OD1-NE 3.45Å; D176-R244 IonicContact OD1-NH2 2.67Å; D176-R244 PolarHBondContact OD1-NH2 3.03Å; D176-R244 WeakPolarHBondContact OD2-CB 3.41Å; D176-R244 WeakPolarHBondContact OD2-CG 3.49Å; D176-R244 IonicContact OD2-CZ 3.64Å; D176-R244 IonicContact OD2-NE 2.68Å; D176-R244 PolarHBondContact OD2-NE 3.23Å; D176-R244 IonicContact OD2-NH2 3.62Å; D176-R244 PolarHBondContact OD2-NH2 3.11Å; W220-R244 HydrophobicContact CD2-CB 4.21Å; W220-R244 HydrophobicContact CZ2-CB 4.45Å; H238-R244 VanDerWaalsContact CD2-CZ 3.5Å; H238-R244 PolarHBondContact CD2-NH1 3.48Å; S239-R244 WeakPolarHBondContact O-CD 3.34Å; S239-R244 VanDerWaalsContact O-CG 3.31Å; S239-R244 WeakPolarHBondContact O-CG 3.31Å; P240-R244 PolarHBondContact O-N 3.28Å; P240-R244 VanDerWaalsContact O-N 3.15Å; G241-R244 WeakPolarHBondContact O-CB 3.35Å; G241-R244 PolarHBondContact O-N 2.92Å; R244-P248 WeakPolarHBondContact O-CD 3.48Å; R244-P248 WeakPolarHBondContact O-CG 3.34Å
245V98.4Very high96.5Very high22 Ų2230.2 Ų30.213%0.13317%0.17CC..Hα-helixtrans-85.6-56.7168.8178.50000111.2A217 W220 G241 K242 Y243 G247 L249A217-V245 HydrophobicContact CB-CG1 3.72Å; A217-V245 HydrophobicContact CB-CG2 4.29Å; W220-V245 HydrophobicContact CB-CG2 3.54Å; W220-V245 VanDerWaalsContact CD1-CG2 3.49Å; W220-V245 HydrophobicContact CG-CG2 3.77Å; G241-V245 PolarHBondContact O-N 3.44Å; G241-V245 VanDerWaalsContact O-N 3.12Å; K242-V245 PolarHBondContact O-N 3.15Å; Y243-V245 PolarHBondContact O-N 3.18Å; V245-G247 PolarHBondContact O-N 2.85Å; V245-L249 HydrophobicContact CG1-CD1 3.62Å; V245-L249 WeakPolarHBondContact O-CB 3.41Å; V245-L249 VanDerWaalsContact O-CG 3.24Å; V245-L249 WeakPolarHBondContact O-CG 2.97Å; V245-L249 PolarHBondContact O-N 3.1Å
246I97.8Very high96.6Very high15 Ų1525.3 Ų25.38%0.07714%0.14CC..Hα-helixtrans-64.4-44.3-172.3-69.6167.3000111.7Y155 K242 Y243 R250 Y266 M267Y155-I246 HydrophobicContact CE1-CG2 4.28Å; K242-I246 HydrophobicContact CD-CD1 4.22Å; K242-I246 HydrophobicContact CG-CD1 3.65Å; K242-I246 WeakPolarHBondContact O-CG1 3.39Å; K242-I246 PolarHBondContact O-N 3.43Å; Y243-I246 HydrophobicContact CD1-CB 4.49Å; Y243-I246 HydrophobicContact CD1-CD1 4.32Å; Y243-I246 HydrophobicContact CE1-CD1 4.37Å; I246-R250 VanDerWaalsContact O-CB 3.31Å; I246-R250 WeakPolarHBondContact O-CB 3.5Å; I246-R250 WeakPolarHBondContact O-CD 3.46Å; I246-R250 WeakPolarHBondContact O-CG 3.35Å; I246-R250 PolarHBondContact O-N 3.36Å; I246-Y266 HydrophobicContact CD1-CE1 4.03Å; I246-Y266 HydrophobicContact CG1-CE1 4.38Å; I246-Y266 HydrophobicContact CG2-CE1 3.72Å; I246-M267 HydrophobicContact CG1-SD 4.22Å; I246-M267 HydrophobicContact CG2-SD 4.14Å
247G97.2Very high96.9Very high0 Ų031.6 Ų31.60%016%0.158CC..Hα-helixtrans-60.4-52.8-175.300000113.6Y243 V245 R250 N251Y243-G247 WeakPolarHBondContact O-CA 3.46Å; Y243-G247 PolarHBondContact O-N 3.14Å; V245-G247 PolarHBondContact O-N 2.85Å; G247-R250 WeakPolarHBondContact O-CG 3.49Å; G247-N251 PolarHBondContact O-ND2 3.14Å
248P97Very high97Very high0 Ų030 Ų300%015%0.147CC..Hα-helixtrans-65.1-48.9176.3-26.938.9000112.9Y152 D176 L180 F216 R244 R250 N251 Y252Y152-P248 WeakPolarHBondContact OH-CD 3.43Å; D176-P248 HydrophobicContact CB-CG 3.57Å; L180-P248 HydrophobicContact CD2-CB 3.71Å; F216-P248 HydrophobicContact CE1-CB 4.48Å; F216-P248 HydrophobicContact CZ-CB 4.19Å; F216-P248 HydrophobicContact CZ-CG 4.26Å; R244-P248 WeakPolarHBondContact O-CD 3.48Å; R244-P248 WeakPolarHBondContact O-CG 3.34Å; P248-R250 PolarHBondContact O-N 3.44Å; P248-N251 CarbonylContact O-C 3.51Å; P248-N251 PolarHBondContact O-N 2.85Å; P248-N251 VanDerWaalsContact O-N 3.09Å; P248-Y252 WeakPolarHBondContact O-CB 3.26Å; P248-Y252 PolarHBondContact O-N 3.22Å
249L97.6Very high97Very high6 Ų629.7 Ų29.73%0.03115%0.145CC..Hα-helixtrans-62.7-41-174.3-66.9179.1000112.4L180 F213 F216 V245 N251 Y252 F255 M267L180-L249 HydrophobicContact CD1-CD2 4.29Å; L180-L249 HydrophobicContact CD2-CD2 3.83Å; F213-L249 HydrophobicContact CD1-CD2 3.66Å; F213-L249 HydrophobicContact CE1-CD2 4.36Å; F213-L249 HydrophobicContact CG-CD2 4.41Å; F216-L249 HydrophobicContact CD1-CD1 4.38Å; F216-L249 HydrophobicContact CD1-CD2 3.94Å; F216-L249 HydrophobicContact CD1-CG 4.19Å; F216-L249 HydrophobicContact CE1-CD1 4.49Å; F216-L249 HydrophobicContact CE1-CD2 4.12Å; F216-L249 HydrophobicContact CE1-CG 4.03Å; V245-L249 HydrophobicContact CG1-CD1 3.62Å; V245-L249 WeakPolarHBondContact O-CB 3.41Å; V245-L249 VanDerWaalsContact O-CG 3.24Å; V245-L249 WeakPolarHBondContact O-CG 2.97Å; V245-L249 PolarHBondContact O-N 3.1Å; L249-N251 PolarHBondContact O-N 3.11Å; L249-Y252 PolarHBondContact O-N 3.02Å; L249-Y252 VanDerWaalsContact O-N 3.08Å; L249-F255 HydrophobicContact CB-CD1 3.93Å; L249-F255 HydrophobicContact CB-CD2 4.23Å; L249-F255 HydrophobicContact CB-CE1 4.19Å; L249-F255 HydrophobicContact CB-CE2 4.41Å; L249-F255 HydrophobicContact CB-CG 3.97Å; L249-F255 HydrophobicContact CB-CZ 4.4Å; L249-F255 HydrophobicContact CD1-CD2 4.16Å; L249-F255 HydrophobicContact CD1-CE2 3.94Å; L249-F255 HydrophobicContact CD1-CZ 4.36Å; L249-F255 HydrophobicContact CD2-CB 4.13Å; L249-F255 HydrophobicContact CD2-CD2 3.69Å; L249-F255 HydrophobicContact CD2-CE2 4.31Å; L249-F255 HydrophobicContact CD2-CG 3.89Å; L249-F255 HydrophobicContact CG-CD2 4.24Å; L249-F255 HydrophobicContact CG-CE2 4.46Å; L249-F255 HydrophobicContact CG-CG 4.4Å; L249-F255 WeakPolarHBondContact O-CD1 3.33Å; L249-M267 HydrophobicContact CB-CE 3.76Å; L249-M267 HydrophobicContact CD1-CE 4.25Å
250R96Very high97Very high24 Ų2436.1 Ų36.19%0.09118%0.179CC..Hα-helixtrans-67.5-23.617877.8-171.4-61.1-145.4-10.3113.6D151 Y155 I246 G247 P248 M267D151-R250 IonicContact OD1-CZ 3.75Å; D151-R250 IonicContact OD1-NH1 2.76Å; D151-R250 PolarHBondContact OD1-NH1 3.41Å; Y155-R250 WeakPolarHBondContact OH-CD 3.35Å; Y155-R250 PolarHBondContact OH-NH1 3.41Å; I246-R250 VanDerWaalsContact O-CB 3.31Å; I246-R250 WeakPolarHBondContact O-CB 3.5Å; I246-R250 WeakPolarHBondContact O-CD 3.46Å; I246-R250 WeakPolarHBondContact O-CG 3.35Å; I246-R250 PolarHBondContact O-N 3.36Å; G247-R250 WeakPolarHBondContact O-CG 3.49Å; P248-R250 PolarHBondContact O-N 3.44Å; R250-M267 WeakPolarHBondContact CA-O 3.43Å
251N95.7Very high97.1Very high1 Ų136.8 Ų36.81%0.00518%0.184CC..THydrogen-bonded Turntrans-91.81.1176.2-71.6-60.6000112.2D151 L177 G247 P248 L249 R269 R272 C273D151-N251 PolarHBondContact OD2-ND2 3.06Å; L177-N251 HydrophobicContact CD1-CB 4.09Å; L177-N251 HydrophobicContact CD2-CB 4.34Å; G247-N251 PolarHBondContact O-ND2 3.14Å; P248-N251 CarbonylContact O-C 3.51Å; P248-N251 PolarHBondContact O-N 2.85Å; P248-N251 VanDerWaalsContact O-N 3.09Å; L249-N251 PolarHBondContact O-N 3.11Å; N251-R269 WeakPolarHBondContact OD1-CD 3.36Å; N251-R269 PolarHBondContact OD1-NH1 2.97Å; N251-R272 WeakPolarHBondContact O-CD 3.13Å; N251-C273 PolarHBondContact OD1-N 3.25Å
252Y95.7Very high97.1Very high22 Ų2239.8 Ų39.89%0.08620%0.199CC..  trans-114.7102.1-174.4-165.2-124.6000112.7L180 T181 H184 F213 P248 L249 P254 F255 A256L180-Y252 HydrophobicContact CD2-CD1 4.08Å; L180-Y252 HydrophobicContact CD2-CG 4.17Å; L180-Y252 HydrophobicContact CG-CD1 4.35Å; T181-Y252 HydrophobicContact CG2-CE2 3.9Å; H184-Y252 HydrophobicContact CB-CE1 3.95Å; H184-Y252 WeakPolarHBondContact CB-OH 3.35Å; H184-Y252 AromaticContact CG-CE1 3.83Å; H184-Y252 AromaticContact ND1-CE1 3.49Å; H184-Y252 WeakPolarHBondContact ND1-CE1 3.29Å; H184-Y252 AromaticContact ND1-CZ 3.59Å; H184-Y252 PolarHBondContact ND1-OH 3.41Å; F213-Y252 AromaticContact CE1-CD1 3.66Å; F213-Y252 HydrophobicContact CE1-CD1 3.66Å; F213-Y252 AromaticContact CE1-CE1 3.72Å; F213-Y252 HydrophobicContact CE1-CE1 3.72Å; F213-Y252 AromaticContact CZ-CD1 3.96Å; F213-Y252 HydrophobicContact CZ-CD1 3.96Å; F213-Y252 AromaticContact CZ-CE1 3.79Å; F213-Y252 HydrophobicContact CZ-CE1 3.79Å; P248-Y252 WeakPolarHBondContact O-CB 3.26Å; P248-Y252 PolarHBondContact O-N 3.22Å; L249-Y252 PolarHBondContact O-N 3.02Å; L249-Y252 VanDerWaalsContact O-N 3.08Å; Y252-P254 VanDerWaalsContact C-CD 3.43Å; Y252-P254 VanDerWaalsContact C-N 3.35Å; Y252-P254 HydrophobicContact CD1-CB 4.05Å; Y252-P254 HydrophobicContact CD1-CG 4.13Å; Y252-P254 HydrophobicContact CD2-CG 4.3Å; Y252-P254 HydrophobicContact CE1-CB 3.57Å; Y252-P254 HydrophobicContact CE1-CG 3.62Å; Y252-P254 HydrophobicContact CE2-CG 3.79Å; Y252-P254 HydrophobicContact CG-CG 4.44Å; Y252-P254 VanDerWaalsContact CZ-CG 3.42Å; Y252-F255 HydrophobicContact CD1-CB 4.21Å; Y252-F255 WeakPolarHBondContact O-CB 3.46Å; Y252-F255 PolarHBondContact O-N 3.3Å; Y252-A256 PolarHBondContact O-N 3.1Å
253A95.4Very high97Very high21 Ų2140.1 Ų40.117%0.17421%0.207CC..Hα-helixtrans-54.8-37.4-177.100000115.2F255 A256 R257 R272A253-F255 VanDerWaalsContact C-N 3.28Å; A253-F255 PolarHBondContact O-N 3.03Å; A253-A256 PolarHBondContact O-N 3.29Å; A253-R257 PolarHBondContact O-N 3.25Å; A253-R257 VanDerWaalsContact O-N 3.08Å; A253-R272 VanDerWaalsContact CB-NH1 3.34Å
254P96.2Very high96.7Very high26 Ų2644.1 Ų44.117%0.16923%0.23CC..Hα-helixtrans-61.2-32.8175.5-24.535.3000114.1F213 Y252 R257 A258F213-P254 HydrophobicContact CZ-CB 4.32Å; Y252-P254 VanDerWaalsContact C-CD 3.43Å; Y252-P254 VanDerWaalsContact C-N 3.35Å; Y252-P254 HydrophobicContact CD1-CB 4.05Å; Y252-P254 HydrophobicContact CD1-CG 4.13Å; Y252-P254 HydrophobicContact CD2-CG 4.3Å; Y252-P254 HydrophobicContact CE1-CB 3.57Å; Y252-P254 HydrophobicContact CE1-CG 3.62Å; Y252-P254 HydrophobicContact CE2-CG 3.79Å; Y252-P254 HydrophobicContact CG-CG 4.44Å; Y252-P254 VanDerWaalsContact CZ-CG 3.42Å; P254-R257 PolarHBondContact O-N 3.13Å; P254-A258 WeakPolarHBondContact O-CB 3.32Å; P254-A258 PolarHBondContact O-N 3.37Å
255F97.9Very high96.6Very high17 Ų1744.8 Ų44.88%0.07524%0.237CC..Hα-helixtrans-63.1-50.1173162.8-93.6000110.6F213 L249 Y252 A253 R257 A258 F259 M267F213-F255 HydrophobicContact CB-CD2 3.95Å; F213-F255 HydrophobicContact CB-CE2 4.45Å; F213-F255 HydrophobicContact CD1-CB 4.04Å; F213-F255 HydrophobicContact CD1-CD2 4.04Å; F213-F255 HydrophobicContact CD2-CB 4.42Å; F213-F255 HydrophobicContact CD2-CD2 4.11Å; F213-F255 HydrophobicContact CE1-CB 3.82Å; F213-F255 HydrophobicContact CE2-CB 4.22Å; F213-F255 HydrophobicContact CG-CB 4.35Å; F213-F255 AromaticContact CG-CD2 3.76Å; F213-F255 HydrophobicContact CG-CD2 3.76Å; F213-F255 HydrophobicContact CZ-CB 3.93Å; L249-F255 HydrophobicContact CB-CD1 3.93Å; L249-F255 HydrophobicContact CB-CD2 4.23Å; L249-F255 HydrophobicContact CB-CE1 4.19Å; L249-F255 HydrophobicContact CB-CE2 4.41Å; L249-F255 HydrophobicContact CB-CG 3.97Å; L249-F255 HydrophobicContact CB-CZ 4.4Å; L249-F255 HydrophobicContact CD1-CD2 4.16Å; L249-F255 HydrophobicContact CD1-CE2 3.94Å; L249-F255 HydrophobicContact CD1-CZ 4.36Å; L249-F255 HydrophobicContact CD2-CB 4.13Å; L249-F255 HydrophobicContact CD2-CD2 3.69Å; L249-F255 HydrophobicContact CD2-CE2 4.31Å; L249-F255 HydrophobicContact CD2-CG 3.89Å; L249-F255 HydrophobicContact CG-CD2 4.24Å; L249-F255 HydrophobicContact CG-CE2 4.46Å; L249-F255 HydrophobicContact CG-CG 4.4Å; L249-F255 WeakPolarHBondContact O-CD1 3.33Å; Y252-F255 HydrophobicContact CD1-CB 4.21Å; Y252-F255 WeakPolarHBondContact O-CB 3.46Å; Y252-F255 PolarHBondContact O-N 3.3Å; A253-F255 VanDerWaalsContact C-N 3.28Å; A253-F255 PolarHBondContact O-N 3.03Å; F255-R257 PolarHBondContact O-N 3.2Å; F255-A258 PolarHBondContact O-N 3.34Å; F255-A258 VanDerWaalsContact O-N 3.08Å; F255-F259 AromaticContact CD2-CD2 3.6Å; F255-F259 HydrophobicContact CD2-CD2 3.6Å; F255-F259 AromaticContact CD2-CE2 3.76Å; F255-F259 HydrophobicContact CD2-CE2 3.76Å; F255-F259 AromaticContact CE2-CD2 3.36Å; F255-F259 HydrophobicContact CE2-CD2 3.36Å; F255-F259 AromaticContact CE2-CE2 3.55Å; F255-F259 HydrophobicContact CE2-CE2 3.55Å; F255-F259 HydrophobicContact CE2-CG 4.12Å; F255-F259 HydrophobicContact CE2-CZ 4.42Å; F255-F259 HydrophobicContact CG-CD2 4.48Å; F255-F259 HydrophobicContact CZ-CD2 4.05Å; F255-F259 HydrophobicContact CZ-CG 4.43Å; F255-F259 PolarHBondContact O-N 2.94Å; F255-F259 VanDerWaalsContact O-N 3.12Å; F255-M267 HydrophobicContact CE1-CB 3.92Å; F255-M267 HydrophobicContact CE1-CE 3.91Å; F255-M267 HydrophobicContact CZ-CB 4.5Å; F255-M267 HydrophobicContact CZ-CE 3.95Å
256A97.6Very high96.5Very high6 Ų649.7 Ų49.75%0.0526%0.255CS..Hα-helixtrans-57.6-38179.100000112.2Y252 A253 N260 C261 N268Y252-A256 PolarHBondContact O-N 3.1Å; A253-A256 PolarHBondContact O-N 3.29Å; A256-N260 WeakPolarHBondContact O-CA 3.35Å; A256-N260 PolarHBondContact O-N 3.06Å; A256-C261 HydrophobicContact CB-CB 4.12Å; A256-C261 PolarHBondContact O-N 3.36Å; A256-N268 HydrophobicContact CB-CB 3.87Å
257R97.3Very high96.5Very high164 Ų16451 Ų5162%0.61926%0.261SS*.Hα-helixtrans-67.9-44.3174-70.6-169.4-63.8-90.27.4113A253 P254 F255 F259 N260A253-R257 PolarHBondContact O-N 3.25Å; A253-R257 VanDerWaalsContact O-N 3.08Å; P254-R257 PolarHBondContact O-N 3.13Å; F255-R257 PolarHBondContact O-N 3.2Å; R257-F259 PolarHBondContact O-N 3.34Å; R257-N260 PolarHBondContact O-N 2.72Å; R257-N260 PolarHBondContact O-OD1 2.69Å
258A97.7Very high96.4Very high19 Ų1951.3 Ų51.316%0.15726%0.263CS..Hα-helixtrans-62.5-29.4-17900000112.8D209 Q210 F213 P254 F255D209-A258 HydrophobicContact CB-CB 4.37Å; Q210-A258 HydrophobicContact CG-CB 4.29Å; Q210-A258 VanDerWaalsContact CG-O 3.25Å; Q210-A258 WeakPolarHBondContact CG-O 3.41Å; Q210-A258 PolarHBondContact NE2-O 2.9Å; F213-A258 HydrophobicContact CD2-CB 3.94Å; F213-A258 HydrophobicContact CE2-CB 3.7Å; P254-A258 WeakPolarHBondContact O-CB 3.32Å; P254-A258 PolarHBondContact O-N 3.37Å; F255-A258 PolarHBondContact O-N 3.34Å; F255-A258 VanDerWaalsContact O-N 3.08Å
259F98.2Very high96Very high65 Ų6553 Ų5329%0.28527%0.269SS..THydrogen-bonded Turntrans-105.66.6178.9-73.2-89.1000114.3Q210 F213 L214 F255 R257 C261Q210-F259 HydrophobicContact CB-CE1 4.17Å; Q210-F259 HydrophobicContact CB-CE2 4.18Å; Q210-F259 HydrophobicContact CB-CZ 3.74Å; Q210-F259 HydrophobicContact CG-CD1 4.27Å; Q210-F259 HydrophobicContact CG-CD2 4.3Å; Q210-F259 HydrophobicContact CG-CE1 3.94Å; Q210-F259 HydrophobicContact CG-CE2 3.96Å; Q210-F259 HydrophobicContact CG-CG 4.44Å; Q210-F259 HydrophobicContact CG-CZ 3.77Å; F213-F259 HydrophobicContact CB-CE2 3.77Å; F213-F259 HydrophobicContact CB-CZ 4.37Å; F213-F259 AromaticContact CD2-CE2 3.93Å; F213-F259 HydrophobicContact CD2-CE2 3.93Å; F213-F259 HydrophobicContact CG-CE2 4.22Å; L214-F259 HydrophobicContact CD2-CZ 4.39Å; L214-F259 HydrophobicContact CG-CZ 4.17Å; F255-F259 AromaticContact CD2-CD2 3.6Å; F255-F259 HydrophobicContact CD2-CD2 3.6Å; F255-F259 AromaticContact CD2-CE2 3.76Å; F255-F259 HydrophobicContact CD2-CE2 3.76Å; F255-F259 AromaticContact CE2-CD2 3.36Å; F255-F259 HydrophobicContact CE2-CD2 3.36Å; F255-F259 AromaticContact CE2-CE2 3.55Å; F255-F259 HydrophobicContact CE2-CE2 3.55Å; F255-F259 HydrophobicContact CE2-CG 4.12Å; F255-F259 HydrophobicContact CE2-CZ 4.42Å; F255-F259 HydrophobicContact CG-CD2 4.48Å; F255-F259 HydrophobicContact CZ-CD2 4.05Å; F255-F259 HydrophobicContact CZ-CG 4.43Å; F255-F259 PolarHBondContact O-N 2.94Å; F255-F259 VanDerWaalsContact O-N 3.12Å; R257-F259 PolarHBondContact O-N 3.34Å; F259-C261 PolarHBondContact O-N 2.86Å
260N97.7Very high95.5Very high138 Ų13859.6 Ų59.674%0.73830%0.301SS*.THydrogen-bonded Turntrans4942.5-175.7-58.5-53.6000112.7A256 R257A256-N260 WeakPolarHBondContact O-CA 3.35Å; A256-N260 PolarHBondContact O-N 3.06Å; R257-N260 PolarHBondContact O-N 2.72Å; R257-N260 PolarHBondContact O-OD1 2.69Å
261C97.9Very high95.2Very high24 Ų2465.4 Ų65.416%0.16233%0.329CS..PPolyproline II helixtrans-65.3128.5-179.6-62.10000110.2A256 F259 N268A256-C261 HydrophobicContact CB-CB 4.12Å; A256-C261 PolarHBondContact O-N 3.36Å; F259-C261 PolarHBondContact O-N 2.86Å; C261-N268 HydrophobicContact CB-CB 3.67Å; C261-N268 PolarHBondContact O-ND2 3.49Å; C261-N268 VanDerWaalsContact O-ND2 3.17Å
262P97Very high95.1Very high89 Ų8969 Ų6958%0.57834%0.343SS*.PPolyproline II helixtrans-56.8149.9175.5-23.833.1000111.9D264 S265 N268P262-D264 PolarHBondContact O-N 3.49Å; P262-S265 VanDerWaalsContact O-CB 3.29Å; P262-S265 WeakPolarHBondContact O-CB 3.43Å; P262-S265 PolarHBondContact O-N 3.18Å; P262-S265 PolarHBondContact O-OG 3.35Å; P262-N268 WeakPolarHBondContact O-CB 3.47Å; P262-N268 PolarHBondContact O-ND2 2.98Å
263D93.3Very high94.9Very high142 Ų14268.1 Ų68.176%0.75934%0.34SS*.THydrogen-bonded Turntrans-58.7138.5171.7-71.7-25.3000110.4S265 N268D263-S265 PolarHBondContact O-N 3.39Å; D263-S265 VanDerWaalsContact O-N 3.11Å; D263-N268 PolarHBondContact OD1-ND2 2.87Å
264D91.2Very high94.3Very high107 Ų10771.8 Ų71.857%0.57236%0.357SS*.THydrogen-bonded Turntrans59.515.2-176.3-151.541.2000115.6P262 N268 M270P262-D264 PolarHBondContact O-N 3.49Å; D264-N268 WeakPolarHBondContact CA-O 3.22Å; D264-N268 PolarHBondContact N-O 3.17Å; D264-M270 HydrophobicContact CB-CE 4.43Å; D264-M270 HydrophobicContact CB-CG 4.1Å; D264-M270 HydrophobicContact CB-SD 4.5Å
265S96.3Very high93.4Very high32 Ų3271.6 Ų71.622%0.22435%0.354CS..  trans-66.3159.7165.865.30000111P262 D263 M267 N268P262-S265 VanDerWaalsContact O-CB 3.29Å; P262-S265 WeakPolarHBondContact O-CB 3.43Å; P262-S265 PolarHBondContact O-N 3.18Å; P262-S265 PolarHBondContact O-OG 3.35Å; D263-S265 PolarHBondContact O-N 3.39Å; D263-S265 VanDerWaalsContact O-N 3.11Å; S265-M267 PolarHBondContact O-N 3.15Å; S265-N268 CarbonylContact O-C 3.23Å; S265-N268 VanDerWaalsContact O-C 3.26Å; S265-N268 PolarHBondContact O-N 3.03Å; S265-N268 WeakPolarHBondContact OG-CB 3.41Å
266Y96Very high91.8Very high126 Ų12677 Ų7749%0.49437%0.374SS..THydrogen-bonded Turntrans-50.4-37.7-178.5179.9-104000113.6I246I246-Y266 HydrophobicContact CD1-CE1 4.03Å; I246-Y266 HydrophobicContact CG1-CE1 4.38Å; I246-Y266 HydrophobicContact CG2-CE1 3.72Å
267M97.1Very high89.7Confident43 Ų4381.5 Ų81.521%0.21240%0.403CS..THydrogen-bonded Turntrans-94.41.4-179.7-63.5-60.3-64.200114.2I246 L249 R250 F255 S265I246-M267 HydrophobicContact CG1-SD 4.22Å; I246-M267 HydrophobicContact CG2-SD 4.14Å; L249-M267 HydrophobicContact CB-CE 3.76Å; L249-M267 HydrophobicContact CD1-CE 4.25Å; R250-M267 WeakPolarHBondContact CA-O 3.43Å; F255-M267 HydrophobicContact CE1-CB 3.92Å; F255-M267 HydrophobicContact CE1-CE 3.91Å; F255-M267 HydrophobicContact CZ-CB 4.5Å; F255-M267 HydrophobicContact CZ-CE 3.95Å; S265-M267 PolarHBondContact O-N 3.15Å
268N95.7Very high87.2Confident6 Ų679.2 Ų79.23%0.03241%0.412CS..SBendtrans-139.975.5176.9-178.927.7000110.7A256 C261 P262 D263 D264 S265 R272A256-N268 HydrophobicContact CB-CB 3.87Å; C261-N268 HydrophobicContact CB-CB 3.67Å; C261-N268 PolarHBondContact O-ND2 3.49Å; C261-N268 VanDerWaalsContact O-ND2 3.17Å; P262-N268 WeakPolarHBondContact O-CB 3.47Å; P262-N268 PolarHBondContact O-ND2 2.98Å; D263-N268 PolarHBondContact OD1-ND2 2.87Å; D264-N268 WeakPolarHBondContact CA-O 3.22Å; D264-N268 PolarHBondContact N-O 3.17Å; S265-N268 CarbonylContact O-C 3.23Å; S265-N268 VanDerWaalsContact O-C 3.26Å; S265-N268 PolarHBondContact O-N 3.03Å; S265-N268 WeakPolarHBondContact OG-CB 3.41Å; N268-R272 PolarHBondContact OD1-NH2 3.09Å
269R87.9Confident84Confident35 Ų3587.2 Ų87.213%0.13247%0.467CS..  trans-71.1146.6178.970.1-172.4-57.9-1681.4111.7D151 N251 Q271 R272D151-R269 IonicContact OD1-CZ 3.49Å; D151-R269 IonicContact OD1-NH1 2.68Å; D151-R269 PolarHBondContact OD1-NH1 2.99Å; D151-R269 IonicContact OD1-NH2 3.9Å; D151-R269 IonicContact OD2-NH1 3.43Å; D151-R269 PolarHBondContact OD2-NH1 3.13Å; N251-R269 WeakPolarHBondContact OD1-CD 3.36Å; N251-R269 PolarHBondContact OD1-NH1 2.97Å; R269-Q271 VanDerWaalsContact CD-O 3.29Å; R269-Q271 WeakPolarHBondContact CD-O 3.48Å; R269-Q271 PolarHBondContact NE-O 3.1Å; R269-Q271 PolarHBondContact NH2-O 3.21Å; R269-R272 HydrophobicContact CG-CG 3.99Å
270M87Confident83.3Confident145 Ų14588.4 Ų88.471%0.71448%0.476SS*.SBendtrans-64.3-45.8173.6-65.5-169-73.500112.4D264 R272D264-M270 HydrophobicContact CB-CE 4.43Å; D264-M270 HydrophobicContact CB-CG 4.1Å; D264-M270 HydrophobicContact CB-SD 4.5Å; M270-R272 PolarHBondContact O-N 3.34Å
271Q90Very high82.5Confident146 Ų14685.7 Ų85.768%0.68246%0.462SS*.SBendtrans-96.187.8-178.9-171.3178.527.500111.7R269R269-Q271 VanDerWaalsContact CD-O 3.29Å; R269-Q271 WeakPolarHBondContact CD-O 3.48Å; R269-Q271 PolarHBondContact NE-O 3.1Å; R269-Q271 PolarHBondContact NH2-O 3.21Å
272R93.1Very high81.7Confident77 Ų7789.2 Ų89.229%0.29148%0.479SS..  trans-79.1142.7177.9-57.6-177.9-171.8113-2.4111.6N251 A253 N268 R269 M270 N274N251-R272 WeakPolarHBondContact O-CD 3.13Å; A253-R272 VanDerWaalsContact CB-NH1 3.34Å; N268-R272 PolarHBondContact OD1-NH2 3.09Å; R269-R272 HydrophobicContact CG-CG 3.99Å; M270-R272 PolarHBondContact O-N 3.34Å; R272-N274 PolarHBondContact O-N 2.79Å
273C93.1Very high80.8Confident2 Ų289.2 Ų89.21%0.01447%0.473CS..  trans-79.2114.5167.2-60.10000109.1C147 L148 L177 N251C147-C273 HydrophobicContact CB-CB 3.8Å; C147-C273 WeakPolarHBondContact CB-SG 3.33Å; C147-C273 PolarHBondContact O-SG 3.48Å; C147-C273 WeakPolarHBondContact SG-CA 3.36Å; C147-C273 WeakPolarHBondContact SG-CB 3.44Å; C147-C273 CovalentContact SG-SG 2.05Å; C147-C273 PolarHBondContact SG-SG 3.22Å; L148-C273 HydrophobicContact CD2-CB 3.58Å; L148-C273 HydrophobicContact CG-CB 3.92Å; L177-C273 WeakPolarHBondContact CD2-O 3.38Å; N251-C273 PolarHBondContact OD1-N 3.25Å
274N82.7Confident80Confident99 Ų9985.9 Ų85.953%0.52946%0.455SS..  trans-114.4125.8178.6-68.4-26.6000109.8A144 R272A144-N274 WeakPolarHBondContact CB-O 3.44Å; R272-N274 PolarHBondContact O-N 2.79Å
275L76.1Confident79.2Confident22 Ų2284.5 Ų84.512%0.11545%0.447CS..SBendtrans-84.3-48.7177.2-62.4172.1000111.6A144 L148 L174 L177A144-L275 HydrophobicContact CB-CD2 3.79Å; L148-L275 HydrophobicContact CD1-CD1 4.4Å; L148-L275 HydrophobicContact CD1-CD2 3.94Å; L148-L275 HydrophobicContact CD1-CG 4.39Å; L174-L275 HydrophobicContact CD1-CD1 3.23Å; L174-L275 HydrophobicContact CD1-CD2 3.15Å; L174-L275 HydrophobicContact CD1-CG 3.74Å; L174-L275 HydrophobicContact CG-CD1 3.63Å; L174-L275 HydrophobicContact CG-CD2 4.4Å; L177-L275 HydrophobicContact CD2-CD1 4.15Å; L177-L275 HydrophobicContact CD2-CG 4.22Å; L177-L275 HydrophobicContact CG-CD1 4.4Å
276W65.7Low78Confident129 Ų12988.2 Ų88.249%0.48946%0.463SS..SBendtrans-116.496.9-178.3-47.3115.8000106.1F116 W133 S278F116-W276 HydrophobicContact CB-CH2 4.45Å; F116-W276 HydrophobicContact CB-CZ2 4.11Å; W133-W276 HydrophobicContact CH2-CH2 4.23Å; W276-S278 PolarHBondContact O-N 2.98Å
277P52.2Low76.6Confident101 Ų10185.3 Ų85.366%0.65646%0.461SS*.  trans-55.9117.7169.522.3-29.3000106.8S279P277-S279 PolarHBondContact O-N 3.38Å; P277-S279 VanDerWaalsContact O-N 3.1Å
278S44.8Very low74.9Confident116 Ų11688.8 Ų88.881%0.81148%0.482SS*.  trans-55.8117.7166.344.20000106.7W276W276-S278 PolarHBondContact O-N 2.98Å
279S31Very low73.1Confident188 Ų18896.4 Ų96.4100%1.31552%0.523SS*.  trans-51.20166.154.70000110.8P277P277-S279 PolarHBondContact O-N 3.38Å; P277-S279 VanDerWaalsContact O-N 3.1Å

Retrieved 279 of 279 residues in 370.7 ms (Link to these results)

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