A0A087YB98_POEFO Loading...

SEC14 and spectrin domains 1

AlphaFold DB , UniProt , Accession A0A087YB98, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 751 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
1M24.8Very low64.2Low244 Ų24490 Ų90100%1.20255%0.552SS**  0111.90-75.9178.9172.400106.2G3M1-G3 PolarHBondContact O-N 3.36Å; M1-G3 VanDerWaalsContact O-N 3.08Å
2S27.3Very low66.4Low115 Ų11585.8 Ų85.880%0.80452%0.523SS*.  trans-58.4106174.246.10000108.3V4S2-V4 PolarHBondContact O-N 2.98Å
3G32.4Very low68.2Low71 Ų7186.4 Ų86.473%0.73253%0.529SS*.  trans-64.9105.2172.600000107.6M1 T5M1-G3 PolarHBondContact O-N 3.36Å; M1-G3 VanDerWaalsContact O-N 3.08Å; G3-T5 PolarHBondContact O-N 3.26Å
4V45.6Very low69.8Low135 Ų13582.7 Ų82.782%0.81850%0.504SS*.  trans-63.2105165178.40000105.1S2 M6S2-V4 PolarHBondContact O-N 2.98Å; V4-M6 PolarHBondContact O-N 3.04Å
5T61.3Low71.2Confident115 Ų11577.3 Ų77.371%0.70647%0.471SS*.PPolyproline II helixtrans-63.8116.2171.339.80000107.4G3G3-T5 PolarHBondContact O-N 3.26Å
6M77.1Confident72.4Confident66 Ų6681.3 Ų81.333%0.32548%0.48SS..PPolyproline II helixtrans-66.7130.7179.3-171.8-178.4-71.200109.4V4 I11 Y54V4-M6 PolarHBondContact O-N 3.04Å; M6-I11 HydrophobicContact CG-CD1 4.5Å; M6-I11 HydrophobicContact CG-CG1 4.49Å; M6-I11 HydrophobicContact CG-CG2 4.12Å; M6-I11 HydrophobicContact SD-CD1 3.83Å; M6-I11 HydrophobicContact SD-CG1 4.29Å; M6-I11 HydrophobicContact SD-CG2 3.7Å; M6-Y54 HydrophobicContact CB-CD2 4.4Å; M6-Y54 HydrophobicContact CG-CD2 4.45Å; M6-Y54 VanDerWaalsContact O-CD2 3.29Å; M6-Y54 WeakPolarHBondContact O-CD2 3.32Å; M6-Y54 WeakPolarHBondContact O-CE2 3.45Å
7E84Confident73.5Confident83 Ų8381.8 Ų81.839%0.38848%0.475SS..PPolyproline II helixtrans-93.5146.4180-64.4-179.5-179.100111.7S9 S10E7-S9 WeakPolarHBondContact CB-OG 3.47Å; E7-S9 PolarHBondContact O-N 3.44Å; E7-S9 PolarHBondContact OE2-OG 3.48Å; E7-S9 VanDerWaalsContact OE2-OG 3.09Å; E7-S10 WeakPolarHBondContact O-CB 3.48Å; E7-S10 PolarHBondContact O-N 2.7Å; E7-S10 VanDerWaalsContact O-N 3.1Å; E7-S10 PolarHBondContact O-OG 2.95Å
8A87.3Confident74.5Confident0 Ų080.6 Ų80.60%046%0.463CS..THydrogen-bonded Turntrans-56.6-37.7175.500000112.6S10 I11 L12 L15 Y54 R165 L166 E169A8-S10 VanDerWaalsContact C-N 3.27Å; A8-S10 PolarHBondContact O-N 3.09Å; A8-I11 CarbonylContact O-C 3.59Å; A8-I11 PolarHBondContact O-N 3.36Å; A8-L12 WeakPolarHBondContact O-CA 3.1Å; A8-L12 WeakPolarHBondContact O-CB 3.42Å; A8-L12 PolarHBondContact O-N 3.4Å; A8-L15 HydrophobicContact CB-CD1 4.03Å; A8-Y54 HydrophobicContact CB-CE1 4.49Å; A8-Y54 HydrophobicContact CB-CE2 4.2Å; A8-Y54 WeakPolarHBondContact CB-OH 3.49Å; A8-R165 HydrophobicContact CB-CG 4.31Å; A8-L166 HydrophobicContact CB-CD2 3.67Å; A8-L166 HydrophobicContact CB-CG 4.39Å; A8-E169 WeakPolarHBondContact CB-OE2 3.21Å; A8-E169 PolarHBondContact N-OE2 3.08Å
9S88.7Confident75.3Confident66 Ų6676.9 Ų76.946%0.46244%0.442SS..THydrogen-bonded Turntrans-57.1-41.5178.361.60000111.5E7 I11E7-S9 WeakPolarHBondContact CB-OG 3.47Å; E7-S9 PolarHBondContact O-N 3.44Å; E7-S9 PolarHBondContact OE2-OG 3.48Å; E7-S9 VanDerWaalsContact OE2-OG 3.09Å; S9-I11 PolarHBondContact O-N 2.97Å
10S88.2Confident76.1Confident78 Ų7873.2 Ų73.255%0.54542%0.42SS..THydrogen-bonded Turntrans-72-28.7-174.8740000113.6E7 A8E7-S10 WeakPolarHBondContact O-CB 3.48Å; E7-S10 PolarHBondContact O-N 2.7Å; E7-S10 VanDerWaalsContact O-N 3.1Å; E7-S10 PolarHBondContact O-OG 2.95Å; A8-S10 VanDerWaalsContact C-N 3.27Å; A8-S10 PolarHBondContact O-N 3.09Å
11I89.9Confident76.8Confident17 Ų1769.8 Ų69.89%0.08740%0.401CS..THydrogen-bonded Turntrans-117.518.4179.760.6155.4000113M6 A8 S9 I14 L15 Y54M6-I11 HydrophobicContact CG-CD1 4.5Å; M6-I11 HydrophobicContact CG-CG1 4.49Å; M6-I11 HydrophobicContact CG-CG2 4.12Å; M6-I11 HydrophobicContact SD-CD1 3.83Å; M6-I11 HydrophobicContact SD-CG1 4.29Å; M6-I11 HydrophobicContact SD-CG2 3.7Å; A8-I11 CarbonylContact O-C 3.59Å; A8-I11 PolarHBondContact O-N 3.36Å; S9-I11 PolarHBondContact O-N 2.97Å; I11-I14 HydrophobicContact CB-CD1 4.45Å; I11-I14 WeakPolarHBondContact O-CA 3.43Å; I11-I14 WeakPolarHBondContact O-CB 3.11Å; I11-I14 PolarHBondContact O-N 3.48Å; I11-L15 HydrophobicContact CD1-CD1 3.91Å; I11-L15 HydrophobicContact CD1-CD2 3.73Å; I11-L15 HydrophobicContact CD1-CG 3.69Å; I11-L15 HydrophobicContact CG1-CD1 3.88Å; I11-L15 HydrophobicContact CG1-CG 3.92Å; I11-L15 PolarHBondContact O-N 3.47Å; I11-Y54 VanDerWaalsContact CD1-CB 3.42Å; I11-Y54 HydrophobicContact CD1-CD1 3.97Å; I11-Y54 HydrophobicContact CD1-CD2 4.12Å; I11-Y54 HydrophobicContact CD1-CG 3.56Å; I11-Y54 HydrophobicContact CG1-CG 4.49Å
12L90.8Very high79.9Confident40 Ų4058.3 Ų58.321%0.20934%0.344CS..Hα-helixtrans-51.5-42.7-176.8179.457.6000114.4A8 I14 L15 K16 L162 L166A8-L12 WeakPolarHBondContact O-CA 3.1Å; A8-L12 WeakPolarHBondContact O-CB 3.42Å; A8-L12 PolarHBondContact O-N 3.4Å; L12-I14 PolarHBondContact O-N 2.7Å; L12-L15 PolarHBondContact O-N 3.06Å; L12-K16 HydrophobicContact CD1-CD 4.48Å; L12-K16 HydrophobicContact CD1-CG 4.18Å; L12-K16 WeakPolarHBondContact O-CG 3.27Å; L12-K16 PolarHBondContact O-N 3.24Å; L12-K16 VanDerWaalsContact O-N 3.09Å; L12-L162 HydrophobicContact CD1-CD1 4Å; L12-L162 HydrophobicContact CD1-CD2 3.77Å; L12-L162 HydrophobicContact CD1-CG 3.99Å; L12-L166 HydrophobicContact CD1-CD1 3.73Å; L12-L166 HydrophobicContact CD1-CD2 4.3Å; L12-L166 HydrophobicContact CD1-CG 4.45Å; L12-L166 HydrophobicContact CD2-CD1 4.11Å
13P89.9Confident82.7Confident93 Ų9353.4 Ų53.460%0.60431%0.31SS*.Hα-helixtrans-61.7-30.1177.4-22.234.2000113.3
14I90.3Very high85.1Confident35 Ų3550.4 Ų50.418%0.17928%0.279CS..Hα-helixtrans-78.3-48.1178.4-60.8172.5000109.6I11 L12 K16 K17 L19 E47 A50 T51I11-I14 HydrophobicContact CB-CD1 4.45Å; I11-I14 WeakPolarHBondContact O-CA 3.43Å; I11-I14 WeakPolarHBondContact O-CB 3.11Å; I11-I14 PolarHBondContact O-N 3.48Å; L12-I14 PolarHBondContact O-N 2.7Å; I14-K16 VanDerWaalsContact C-N 3.29Å; I14-K16 PolarHBondContact O-N 3.03Å; I14-K17 WeakPolarHBondContact O-CB 3.47Å; I14-K17 PolarHBondContact O-N 2.93Å; I14-L19 HydrophobicContact CG2-CD1 4.22Å; I14-E47 HydrophobicContact CD1-CG 4.44Å; I14-E47 HydrophobicContact CG1-CG 4.37Å; I14-E47 HydrophobicContact CG2-CB 3.91Å; I14-E47 WeakPolarHBondContact CG2-O 3.49Å; I14-A50 HydrophobicContact CD1-CB 4.37Å; I14-T51 VanDerWaalsContact CG2-OG1 3.27Å; I14-T51 WeakPolarHBondContact CG2-OG1 3.22Å
15L90.4Very high87.1Confident2 Ų244 Ų441%0.0124%0.24CC..Hα-helixtrans-57.4-42179.9-67.3177.6000111.8A8 I11 L12 K17 K18 T51 Y54 H158 L162A8-L15 HydrophobicContact CB-CD1 4.03Å; I11-L15 HydrophobicContact CD1-CD1 3.91Å; I11-L15 HydrophobicContact CD1-CD2 3.73Å; I11-L15 HydrophobicContact CD1-CG 3.69Å; I11-L15 HydrophobicContact CG1-CD1 3.88Å; I11-L15 HydrophobicContact CG1-CG 3.92Å; I11-L15 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 3.06Å; L15-K17 PolarHBondContact O-N 3.28Å; L15-K18 PolarHBondContact O-N 2.83Å; L15-T51 HydrophobicContact CD2-CG2 4.19Å; L15-Y54 HydrophobicContact CD1-CD1 3.93Å; L15-Y54 HydrophobicContact CD1-CE1 3.67Å; L15-Y54 HydrophobicContact CD2-CD1 3.67Å; L15-Y54 HydrophobicContact CD2-CE1 4.1Å; L15-Y54 HydrophobicContact CG-CD1 4.42Å; L15-H158 PolarHBondContact O-NE2 2.95Å; L15-L162 HydrophobicContact CB-CD1 3.8Å; L15-L162 HydrophobicContact CB-CD2 4.26Å; L15-L162 HydrophobicContact CD1-CD1 3.78Å; L15-L162 HydrophobicContact CG-CD1 4.44Å
16K90.6Very high88.3Confident140 Ų14041.4 Ų41.461%0.60922%0.219SC*.THydrogen-bonded Turntrans-54.7-22.8176.5-77-178.9177.5-178.40114.7L12 I14 K18 L162L12-K16 HydrophobicContact CD1-CD 4.48Å; L12-K16 HydrophobicContact CD1-CG 4.18Å; L12-K16 WeakPolarHBondContact O-CG 3.27Å; L12-K16 PolarHBondContact O-N 3.24Å; L12-K16 VanDerWaalsContact O-N 3.09Å; I14-K16 VanDerWaalsContact C-N 3.29Å; I14-K16 PolarHBondContact O-N 3.03Å; K16-K18 PolarHBondContact O-N 2.87Å; K16-L162 HydrophobicContact CG-CD2 3.68Å
17K91.1Very high88.8Confident90 Ų9038.8 Ų38.839%0.39121%0.206SC..THydrogen-bonded Turntrans-75.5-8.1178.8-63.7175.3175.4-178.90113.3I14 L15 L19 E47I14-K17 WeakPolarHBondContact O-CB 3.47Å; I14-K17 PolarHBondContact O-N 2.93Å; L15-K17 PolarHBondContact O-N 3.28Å; K17-L19 HydrophobicContact CB-CD2 4.06Å; K17-L19 HydrophobicContact CB-CG 3.9Å; K17-L19 PolarHBondContact O-N 3.49Å; K17-E47 IonicContact NZ-OE1 3.09Å; K17-E47 PolarHBondContact NZ-OE1 3.28Å; K17-E47 IonicContact NZ-OE2 3.8Å; K17-E47 PolarHBondContact NZ-OE2 3.41Å
18K90.8Very high88.8Confident61 Ų6142.3 Ų42.327%0.26522%0.216SC..  trans51.640.9-178.6-162.8-177.2176.2-178.90112.4L15 K16 A20 F21 P37 H158L15-K18 PolarHBondContact O-N 2.83Å; K16-K18 PolarHBondContact O-N 2.87Å; K18-A20 VanDerWaalsContact C-N 3.27Å; K18-A20 PolarHBondContact O-N 3.02Å; K18-F21 HydrophobicContact CD-CD1 4.37Å; K18-F21 VanDerWaalsContact CE-CE1 3.45Å; K18-F21 HydrophobicContact CG-CD1 3.95Å; K18-P37 WeakPolarHBondContact O-CG 3.49Å; K18-H158 HydrophobicContact CD-CB 3.87Å; K18-H158 HydrophobicContact CG-CB 4.2Å
19L91.1Very high88.7Confident10 Ų1048.1 Ų48.15%0.05224%0.238CC..SBendtrans-64.6-33.3-178.8-63.1-179.8000112.4I14 K17 I36 Q42 E47 L48 T51I14-L19 HydrophobicContact CG2-CD1 4.22Å; K17-L19 HydrophobicContact CB-CD2 4.06Å; K17-L19 HydrophobicContact CB-CG 3.9Å; K17-L19 PolarHBondContact O-N 3.49Å; L19-I36 WeakPolarHBondContact O-CG2 3.37Å; L19-Q42 WeakPolarHBondContact CD2-O 3.29Å; L19-E47 HydrophobicContact CD1-CB 3.48Å; L19-E47 VanDerWaalsContact CD1-CB 3.48Å; L19-L48 HydrophobicContact CB-CD1 4.06Å; L19-T51 HydrophobicContact CB-CG2 4.48Å
20A91.2Very high88.5Confident2 Ų247.6 Ų47.62%0.01723%0.234CC..SBendtrans-147.9158.3167.100000108.8K18 L34 T35 I36 L48 T51 L52 L55K18-A20 VanDerWaalsContact C-N 3.27Å; K18-A20 PolarHBondContact O-N 3.02Å; A20-L34 HydrophobicContact CB-CD1 4.24Å; A20-T35 CarbonylContact C-O 3.28Å; A20-T35 WeakPolarHBondContact CA-O 3.09Å; A20-I36 HydrophobicContact CB-CG1 4.08Å; A20-L48 HydrophobicContact CB-CD1 4.08Å; A20-T51 HydrophobicContact CB-CG2 4.03Å; A20-L52 HydrophobicContact CB-CD2 3.87Å; A20-L55 HydrophobicContact CB-CD1 3.97Å; A20-L55 WeakPolarHBondContact O-CD1 3.28Å
21F91.2Very high88.4Confident2 Ų243.9 Ų43.91%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-152.5150.8174.264.6-85.9000112.7K18 T35 P37 T147 Y156K18-F21 HydrophobicContact CD-CD1 4.37Å; K18-F21 VanDerWaalsContact CE-CE1 3.45Å; K18-F21 HydrophobicContact CG-CD1 3.95Å; F21-T35 HydrophobicContact CD1-CG2 4.4Å; F21-T35 HydrophobicContact CE1-CG2 3.53Å; F21-T35 HydrophobicContact CE2-CG2 4.4Å; F21-T35 VanDerWaalsContact CZ-CB 3.48Å; F21-T35 HydrophobicContact CZ-CG2 3.54Å; F21-T35 PolarHBondContact N-O 3.37Å; F21-T35 PolarHBondContact O-N 2.9Å; F21-P37 HydrophobicContact CD1-CG 4.31Å; F21-P37 HydrophobicContact CE1-CG 4.05Å; F21-T147 HydrophobicContact CE2-CG2 4.27Å; F21-Y156 HydrophobicContact CB-CE1 3.9Å; F21-Y156 WeakPolarHBondContact CB-OH 3.36Å; F21-Y156 HydrophobicContact CD1-CE1 4.45Å; F21-Y156 AromaticContact CD2-CD1 3.57Å; F21-Y156 HydrophobicContact CD2-CD1 3.57Å; F21-Y156 AromaticContact CD2-CE1 3.22Å; F21-Y156 HydrophobicContact CD2-CE1 3.22Å; F21-Y156 HydrophobicContact CD2-CE2 4.24Å; F21-Y156 HydrophobicContact CD2-CG 4.22Å; F21-Y156 AromaticContact CD2-CZ 3.63Å; F21-Y156 AromaticContact CE2-CD1 3.62Å; F21-Y156 HydrophobicContact CE2-CD1 3.62Å; F21-Y156 AromaticContact CE2-CE1 3.77Å; F21-Y156 HydrophobicContact CE2-CE1 3.77Å; F21-Y156 HydrophobicContact CE2-CG 4.26Å; F21-Y156 HydrophobicContact CG-CD1 4.35Å; F21-Y156 AromaticContact CG-CE1 3.62Å; F21-Y156 HydrophobicContact CG-CE1 3.62Å; F21-Y156 AromaticContact CG-CZ 3.99Å; F21-Y156 HydrophobicContact CZ-CD1 4.44Å
22L89.4Confident88.4Confident4 Ų443.4 Ų43.42%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-97.7116.9168-66.3172.2000108G24 L34 L55 P59 F68 Y156 M247L22-G24 VanDerWaalsContact C-N 3.29Å; L22-G24 PolarHBondContact O-N 3.19Å; L22-L34 HydrophobicContact CD2-CB 3.95Å; L22-L34 HydrophobicContact CD2-CD1 3.79Å; L22-L34 HydrophobicContact CD2-CG 4.48Å; L22-L34 HydrophobicContact CG-CD1 4.21Å; L22-L55 HydrophobicContact CD1-CB 4.28Å; L22-L55 WeakPolarHBondContact CD1-O 3.32Å; L22-L55 HydrophobicContact CG-CB 4.49Å; L22-P59 HydrophobicContact CD1-CG 4.01Å; L22-F68 HydrophobicContact CD2-CD1 4.45Å; L22-F68 HydrophobicContact CD2-CE1 4.12Å; L22-Y156 VanDerWaalsContact O-CE2 3.29Å; L22-Y156 WeakPolarHBondContact O-CE2 3.45Å; L22-M247 HydrophobicContact CB-CE 3.72Å; L22-M247 HydrophobicContact CD1-CE 3.8Å; L22-M247 HydrophobicContact CG-CE 4.34Å
23S85.6Confident88.3Confident12 Ų1241.6 Ų41.68%0.08420%0.196CC..EExtended strand (participates in β ladder)trans-80.1-10.8-178.458.20000113.7G25S23-G25 PolarHBondContact O-N 3.13Å; S23-G25 PolarHBondContact OG-N 3.48Å
24G83.7Confident88.4Confident7 Ų737.1 Ų37.17%0.07217%0.168CC..EExtended strand (participates in β ladder)trans85.8-13.7-16800000113.6L22L22-G24 VanDerWaalsContact C-N 3.29Å; L22-G24 PolarHBondContact O-N 3.19Å
25G86.4Confident88.5Confident0 Ų035.6 Ų35.60%016%0.16CC..EExtended strand (participates in β ladder)trans-66152.7177.500000113.8S23 I33 Q145S23-G25 PolarHBondContact O-N 3.13Å; S23-G25 PolarHBondContact OG-N 3.48Å; G25-I33 PolarHBondContact O-N 3.4Å; G25-Q145 WeakPolarHBondContact CA-O 3.39Å
26K87.7Confident88.6Confident61 Ų6135.5 Ų35.527%0.26516%0.159SC..EExtended strand (participates in β ladder)trans-123.8142.1179.5-64.3176.1-173.7166.70111.7G31 Q145K26-G31 CarbonylContact C-O 3.5Å; K26-G31 VanDerWaalsContact CA-O 3.24Å; K26-G31 WeakPolarHBondContact CA-O 3.36Å; K26-Q145 WeakPolarHBondContact O-CB 3.28Å; K26-Q145 VanDerWaalsContact O-CG 3.3Å; K26-Q145 WeakPolarHBondContact O-CG 3.37Å
27D86.6Confident88.6Confident11 Ų1130.9 Ų30.96%0.05914%0.144CC..  trans-72.6177.1168.578.65.3000111.1R29 S30 G31 T69 I141D27-R29 PolarHBondContact O-N 3.01Å; D27-R29 VanDerWaalsContact O-N 3.12Å; D27-R29 VanDerWaalsContact OD1-CA 3.26Å; D27-R29 WeakPolarHBondContact OD1-CA 3.29Å; D27-R29 VanDerWaalsContact OD1-CB 3.3Å; D27-R29 WeakPolarHBondContact OD1-CB 3.33Å; D27-R29 PolarHBondContact OD1-N 3.02Å; D27-R29 IonicContact OD2-CZ 2.65Å; D27-R29 IonicContact OD2-NE 3.01Å; D27-R29 PolarHBondContact OD2-NE 3.13Å; D27-R29 IonicContact OD2-NH2 3.97Å; D27-R29 PolarHBondContact OD2-NH2 2.81Å; D27-S30 WeakPolarHBondContact O-CA 3.46Å; D27-S30 PolarHBondContact O-N 3.37Å; D27-S30 PolarHBondContact OD1-N 2.93Å; D27-S30 VanDerWaalsContact OD1-N 3.12Å; D27-G31 PolarHBondContact N-O 2.95Å; D27-G31 WeakPolarHBondContact OD1-CA 3.45Å; D27-G31 PolarHBondContact OD1-N 3.37Å; D27-T69 PolarHBondContact OD2-OG1 3.2Å; D27-I141 HydrophobicContact CB-CG1 4.49Å
28R85.1Confident88.4Confident158 Ų15826.9 Ų26.960%0.59613%0.127SC*.THydrogen-bonded Turntrans-64.4-15179-67.2-178.2179.7179.74.3114.6S30 R139 E142R28-S30 VanDerWaalsContact C-N 3.3Å; R28-R139 PolarHBondContact NH1-O 2.95Å; R28-R139 PolarHBondContact NH2-O 3.38Å; R28-E142 HydrophobicContact CG-CG 4.43Å
29R84.9Confident87.9Confident121 Ų12126.5 Ų26.546%0.45713%0.127SC..THydrogen-bonded Turntrans-91.54.5174.2-57173.1-66.2-158.4-3.2111.7D27 G31 T69 S98D27-R29 PolarHBondContact O-N 3.01Å; D27-R29 VanDerWaalsContact O-N 3.12Å; D27-R29 VanDerWaalsContact OD1-CA 3.26Å; D27-R29 WeakPolarHBondContact OD1-CA 3.29Å; D27-R29 VanDerWaalsContact OD1-CB 3.3Å; D27-R29 WeakPolarHBondContact OD1-CB 3.33Å; D27-R29 PolarHBondContact OD1-N 3.02Å; D27-R29 IonicContact OD2-CZ 2.65Å; D27-R29 IonicContact OD2-NE 3.01Å; D27-R29 PolarHBondContact OD2-NE 3.13Å; D27-R29 IonicContact OD2-NH2 3.97Å; D27-R29 PolarHBondContact OD2-NH2 2.81Å; R29-G31 PolarHBondContact O-N 2.97Å; R29-T69 PolarHBondContact NH2-OG1 3.4Å; R29-S98 PolarHBondContact NH1-O 3.1Å; R29-S98 VanDerWaalsContact NH1-O 3.14Å
30S83.7Confident86.8Confident56 Ų5628.1 Ų28.139%0.39214%0.14SC..SBendtrans63.421.2-170.1-54.70000114.2D27 R28 R66D27-S30 WeakPolarHBondContact O-CA 3.46Å; D27-S30 PolarHBondContact O-N 3.37Å; D27-S30 PolarHBondContact OD1-N 2.93Å; D27-S30 VanDerWaalsContact OD1-N 3.12Å; R28-S30 VanDerWaalsContact C-N 3.3Å; S30-R66 WeakPolarHBondContact O-CD 3.22Å
31G86.4Confident85.6Confident0 Ų035.1 Ų35.10%018%0.177CC..PPolyproline II helixtrans-79.8148.217100000111.5K26 D27 R29 G67K26-G31 CarbonylContact C-O 3.5Å; K26-G31 VanDerWaalsContact CA-O 3.24Å; K26-G31 WeakPolarHBondContact CA-O 3.36Å; D27-G31 PolarHBondContact N-O 2.95Å; D27-G31 WeakPolarHBondContact OD1-CA 3.45Å; D27-G31 PolarHBondContact OD1-N 3.37Å; R29-G31 PolarHBondContact O-N 2.97Å; G31-G67 CarbonylContact C-O 3.45Å; G31-G67 WeakPolarHBondContact CA-O 3.34Å
32L88.7Confident84.4Confident6 Ų640.7 Ų40.73%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-73.4145.2-174-68175.3000112P59 C63 G67 F68 T69L32-P59 HydrophobicContact CD1-CB 3.6Å; L32-P59 HydrophobicContact CD1-CG 3.49Å; L32-P59 VanDerWaalsContact CD1-CG 3.49Å; L32-C63 HydrophobicContact CD1-CB 4.03Å; L32-G67 PolarHBondContact N-O 3.08Å; L32-F68 HydrophobicContact CB-CD1 3.7Å; L32-F68 HydrophobicContact CB-CE1 3.75Å; L32-F68 HydrophobicContact CD1-CE1 3.78Å; L32-F68 HydrophobicContact CD1-CZ 4.14Å; L32-F68 HydrophobicContact CG-CE1 4.39Å; L32-F68 CarbonylContact O-C 3.59Å; L32-F68 VanDerWaalsContact O-CA 3.26Å; L32-F68 WeakPolarHBondContact O-CA 3.23Å; L32-T69 PolarHBondContact O-N 3.02Å
33I90.1Very high83.3Confident2 Ų242 Ų421%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-95.6117176.3-61.1167.6000109.8G25 T69 I71 I141 Q145G25-I33 PolarHBondContact O-N 3.4Å; I33-T69 WeakPolarHBondContact CA-O 3.33Å; I33-I71 HydrophobicContact CG2-CD1 3.69Å; I33-I71 HydrophobicContact CG2-CG1 4.11Å; I33-I141 HydrophobicContact CD1-CB 4.48Å; I33-I141 HydrophobicContact CD1-CD1 3.92Å; I33-I141 HydrophobicContact CD1-CG1 4.21Å; I33-I141 HydrophobicContact CD1-CG2 3.47Å; I33-I141 VanDerWaalsContact CD1-CG2 3.47Å; I33-I141 HydrophobicContact CG1-CD1 4.31Å; I33-Q145 HydrophobicContact CD1-CB 4.37Å; I33-Q145 VanDerWaalsContact CD1-O 3.26Å; I33-Q145 WeakPolarHBondContact CD1-O 3.48Å
34L91.4Very high83.3Confident0 Ų043.6 Ų43.60%022%0.222CC..EExtended strand (participates in β ladder)trans-106.5123.3172.7175.269.4000108.6A20 L22 L52 L55 F68 T69 V70 I71 I93A20-L34 HydrophobicContact CB-CD1 4.24Å; L22-L34 HydrophobicContact CD2-CB 3.95Å; L22-L34 HydrophobicContact CD2-CD1 3.79Å; L22-L34 HydrophobicContact CD2-CG 4.48Å; L22-L34 HydrophobicContact CG-CD1 4.21Å; L34-L52 HydrophobicContact CD1-CD2 4.21Å; L34-L52 HydrophobicContact CD2-CD2 3.62Å; L34-L52 HydrophobicContact CG-CD2 4.38Å; L34-L55 HydrophobicContact CD1-CD1 4.2Å; L34-F68 HydrophobicContact CB-CD1 4.33Å; L34-T69 PolarHBondContact N-O 3.01Å; L34-V70 HydrophobicContact CB-CG2 4.37Å; L34-V70 HydrophobicContact CD2-CG1 4.22Å; L34-V70 HydrophobicContact CD2-CG2 4.14Å; L34-V70 HydrophobicContact CG-CG1 4.41Å; L34-V70 CarbonylContact O-C 3.5Å; L34-V70 VanDerWaalsContact O-CA 3.23Å; L34-V70 WeakPolarHBondContact O-CA 3.32Å; L34-I71 PolarHBondContact O-N 3.22Å; L34-I93 HydrophobicContact CD2-CD1 3.87Å
35T92.6Very high83.3Confident2 Ų246 Ų461%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-110.6132.4-179.9-58.20000110.6A20 F21 P37 I71 F150A20-T35 CarbonylContact C-O 3.28Å; A20-T35 WeakPolarHBondContact CA-O 3.09Å; F21-T35 HydrophobicContact CD1-CG2 4.4Å; F21-T35 HydrophobicContact CE1-CG2 3.53Å; F21-T35 HydrophobicContact CE2-CG2 4.4Å; F21-T35 VanDerWaalsContact CZ-CB 3.48Å; F21-T35 HydrophobicContact CZ-CG2 3.54Å; F21-T35 PolarHBondContact N-O 3.37Å; F21-T35 PolarHBondContact O-N 2.9Å; T35-P37 WeakPolarHBondContact O-CD 3.45Å; T35-I71 CarbonylContact C-O 3.5Å; T35-I71 WeakPolarHBondContact CA-O 3.33Å; T35-I71 HydrophobicContact CG2-CB 4.29Å; T35-I71 HydrophobicContact CG2-CG2 4.4Å; T35-F150 HydrophobicContact CG2-CE2 3.66Å; T35-F150 HydrophobicContact CG2-CZ 3.81Å
36I92.7Very high83.3Confident0 Ų053.8 Ų53.80%027%0.269CS..EExtended strand (participates in β ladder)trans-11794.1175.9-54.4180000107.8L19 A20 L38 L48 L52 V70 I71 D73 V85 L89L19-I36 WeakPolarHBondContact O-CG2 3.37Å; A20-I36 HydrophobicContact CB-CG1 4.08Å; I36-L38 HydrophobicContact CG2-CD2 3.61Å; I36-L38 HydrophobicContact CG2-CG 4.21Å; I36-L38 PolarHBondContact O-N 2.69Å; I36-L48 HydrophobicContact CG2-CD1 4.1Å; I36-L48 HydrophobicContact CG2-CD2 4.36Å; I36-L52 HydrophobicContact CD1-CD2 4.45Å; I36-V70 HydrophobicContact CD1-CG1 3.88Å; I36-V70 HydrophobicContact CG1-CG1 4.19Å; I36-I71 PolarHBondContact N-O 3.3Å; I36-D73 PolarHBondContact O-N 3.2Å; I36-V85 HydrophobicContact CD1-CG1 3.88Å; I36-V85 HydrophobicContact CG2-CG1 4.19Å; I36-L89 HydrophobicContact CD1-CD2 4.02Å
37P90.6Very high83.3Confident44 Ų4453.1 Ų53.129%0.28627%0.267SS..EExtended strand (participates in β ladder)trans-77.997.2178.531.8-33.8000110.6K18 F21 T35 N39K18-P37 WeakPolarHBondContact O-CG 3.49Å; F21-P37 HydrophobicContact CD1-CG 4.31Å; F21-P37 HydrophobicContact CE1-CG 4.05Å; T35-P37 WeakPolarHBondContact O-CD 3.45Å; P37-N39 PolarHBondContact O-N 3.17Å
38L86.7Confident83.4Confident6 Ų652.7 Ų52.73%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-78.2128-175.8-58.9174000111.6I36 T43 V72 D73 V82 V85I36-L38 HydrophobicContact CG2-CD2 3.61Å; I36-L38 HydrophobicContact CG2-CG 4.21Å; I36-L38 PolarHBondContact O-N 2.69Å; L38-T43 HydrophobicContact CD2-CG2 4.07Å; L38-V72 HydrophobicContact CD1-CG1 3.42Å; L38-V72 VanDerWaalsContact CD1-CG1 3.42Å; L38-V72 HydrophobicContact CG-CG1 4.09Å; L38-D73 VanDerWaalsContact CB-O 3.28Å; L38-D73 WeakPolarHBondContact CB-O 3.45Å; L38-D73 PolarHBondContact N-O 2.7Å; L38-V82 HydrophobicContact CD1-CB 4.16Å; L38-V82 HydrophobicContact CD1-CG2 3.68Å; L38-V85 HydrophobicContact CD2-CB 4.49Å; L38-V85 HydrophobicContact CD2-CG1 4.49Å; L38-V85 HydrophobicContact CD2-CG2 3.79Å
39N80.6Confident83.5Confident52 Ų5246.7 Ų46.728%0.27825%0.247SC..EExtended strand (participates in β ladder)trans-128.8128171-171.6-5.5000109.6P37 D41 Q42 T43P37-N39 PolarHBondContact O-N 3.17Å; N39-D41 PolarHBondContact O-N 3.37Å; N39-D41 VanDerWaalsContact O-N 3.12Å; N39-Q42 PolarHBondContact O-N 3.45Å; N39-T43 PolarHBondContact O-N 2.73Å; N39-T43 PolarHBondContact O-OG1 3.24Å
40S67.8Low83.7Confident45 Ų4541.9 Ų41.932%0.31523%0.232SC..THydrogen-bonded Turntrans-59.1-27.2-172.4-56.70000113.6R76 S77 Q78S40-R76 PolarHBondContact N-O 2.65Å; S40-R76 PolarHBondContact OG-O 3.32Å; S40-S77 WeakPolarHBondContact OG-CA 3.49Å; S40-Q78 PolarHBondContact OG-N 2.94Å
41D66.4Low84Confident149 Ų14939.2 Ų39.280%0.79721%0.214SC*.THydrogen-bonded Turntrans-92.4-7.1-173.7-58.9-25.1000113.8N39N39-D41 PolarHBondContact O-N 3.37Å; N39-D41 VanDerWaalsContact O-N 3.12Å
42Q64.6Low84.1Confident118 Ų11839.3 Ų39.355%0.55121%0.214SC*.THydrogen-bonded Turntrans-129.6-3.5-168.4-67.7-176.5-17.200115.2L19 N39 S44L19-Q42 WeakPolarHBondContact CD2-O 3.29Å; N39-Q42 PolarHBondContact O-N 3.45Å; Q42-S44 PolarHBondContact O-N 3.12Å
43T67.9Low84Confident32 Ų3242.8 Ų42.820%0.19623%0.233CC..  trans-94.594-169.6-47.50000112.4L38 N39 I81L38-T43 HydrophobicContact CD2-CG2 4.07Å; N39-T43 PolarHBondContact O-N 2.73Å; N39-T43 PolarHBondContact O-OG1 3.24Å; T43-I81 HydrophobicContact CG2-CG2 4.32Å
44S83.9Confident84Confident45 Ų4542.7 Ų42.732%0.31523%0.233SC..  trans-85.4131.2163.81730000110.4Q42 L48Q42-S44 PolarHBondContact O-N 3.12Å; S44-L48 WeakPolarHBondContact O-CB 3.48Å; S44-L48 PolarHBondContact O-N 3.33Å
45M84.3Confident83.8Confident59 Ų5942.8 Ų42.829%0.29123%0.233SC..Hα-helixtrans-70.3-33.9-179.1-65.3-65.6167.100112.4S49 I81 T84 V85 M88M45-S49 PolarHBondContact O-N 3.37Å; M45-I81 HydrophobicContact CE-CG2 3.87Å; M45-T84 HydrophobicContact CE-CG2 3.61Å; M45-T84 HydrophobicContact CG-CG2 4.38Å; M45-T84 HydrophobicContact SD-CG2 3.91Å; M45-V85 HydrophobicContact CE-CG2 3.83Å; M45-V85 HydrophobicContact SD-CG2 3.97Å; M45-M88 WeakPolarHBondContact O-CE 3.11Å; M45-M88 HydrophobicContact SD-SD 4.19Å
46E86.1Confident83.5Confident162 Ų16243.6 Ų43.676%0.75724%0.237SC*.Hα-helixtrans-67-44.8176.3-67.2176.1-176.700111S49 A50E46-S49 WeakPolarHBondContact O-CB 3.24Å; E46-S49 PolarHBondContact O-N 3.33Å; E46-A50 PolarHBondContact O-N 3.22Å
47E89.1Confident83.2Confident48 Ų4846.4 Ų46.422%0.22426%0.257CS..Hα-helixtrans-68.7-36.9178-63.5-175.2149.800112.1I14 K17 L19 S49 A50 T51I14-E47 HydrophobicContact CD1-CG 4.44Å; I14-E47 HydrophobicContact CG1-CG 4.37Å; I14-E47 HydrophobicContact CG2-CB 3.91Å; I14-E47 WeakPolarHBondContact CG2-O 3.49Å; K17-E47 IonicContact NZ-OE1 3.09Å; K17-E47 PolarHBondContact NZ-OE1 3.28Å; K17-E47 IonicContact NZ-OE2 3.8Å; K17-E47 PolarHBondContact NZ-OE2 3.41Å; L19-E47 HydrophobicContact CD1-CB 3.48Å; L19-E47 VanDerWaalsContact CD1-CB 3.48Å; E47-S49 VanDerWaalsContact C-N 3.31Å; E47-A50 PolarHBondContact O-N 3.41Å; E47-T51 WeakPolarHBondContact O-CB 3.39Å; E47-T51 PolarHBondContact O-N 3.21Å; E47-T51 PolarHBondContact O-OG1 2.77Å
48L88.1Confident82.9Confident1 Ų144.8 Ų44.81%0.00525%0.246CC..Hα-helixtrans-63.2-39.7171.8179.361.2000110.7L19 A20 I36 S44 T51 L52 V85 M88L19-L48 HydrophobicContact CB-CD1 4.06Å; A20-L48 HydrophobicContact CB-CD1 4.08Å; I36-L48 HydrophobicContact CG2-CD1 4.1Å; I36-L48 HydrophobicContact CG2-CD2 4.36Å; S44-L48 WeakPolarHBondContact O-CB 3.48Å; S44-L48 PolarHBondContact O-N 3.33Å; L48-T51 PolarHBondContact O-N 2.95Å; L48-L52 HydrophobicContact CD1-CD1 4.31Å; L48-L52 HydrophobicContact CD1-CG 4.22Å; L48-L52 HydrophobicContact CG-CD1 4.14Å; L48-L52 HydrophobicContact CG-CG 4.46Å; L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 VanDerWaalsContact O-CG 3.24Å; L48-L52 WeakPolarHBondContact O-CG 3.27Å; L48-L52 PolarHBondContact O-N 3.42Å; L48-V85 HydrophobicContact CD2-CG1 4.13Å; L48-V85 HydrophobicContact CD2-CG2 3.75Å; L48-M88 HydrophobicContact CD2-SD 4.09Å; L48-M88 HydrophobicContact CG-CE 4.37Å; L48-M88 HydrophobicContact CG-SD 4.38Å
49S87.6Confident82.8Confident33 Ų3344.6 Ų44.623%0.23125%0.245CC..Hα-helixtrans-61-51.2176.6-160.80000110.7M45 E46 E47 T51 L52 D53M45-S49 PolarHBondContact O-N 3.37Å; E46-S49 WeakPolarHBondContact O-CB 3.24Å; E46-S49 PolarHBondContact O-N 3.33Å; E47-S49 VanDerWaalsContact C-N 3.31Å; S49-T51 VanDerWaalsContact C-N 3.28Å; S49-T51 PolarHBondContact O-N 3.33Å; S49-L52 PolarHBondContact O-N 3.11Å; S49-L52 VanDerWaalsContact O-N 3.11Å; S49-D53 VanDerWaalsContact O-CG 3.27Å; S49-D53 PolarHBondContact O-N 3.04Å
50A87.9Confident82.9Confident19 Ų1944.5 Ų44.516%0.15725%0.248CC..Hα-helixtrans-60.4-37.917800000112.4I14 E46 E47 Y54I14-A50 HydrophobicContact CD1-CB 4.37Å; E46-A50 PolarHBondContact O-N 3.22Å; E47-A50 PolarHBondContact O-N 3.41Å; A50-Y54 WeakPolarHBondContact O-CB 3.47Å; A50-Y54 PolarHBondContact O-N 3.33Å; A50-Y54 VanDerWaalsContact O-N 3.08Å
51T89.6Confident83.6Confident1 Ų148.1 Ų48.11%0.00626%0.264CS..Hα-helixtrans-63.1-43.9174.9-54.90000111.2I14 L15 L19 A20 E47 L48 S49 L55I14-T51 VanDerWaalsContact CG2-OG1 3.27Å; I14-T51 WeakPolarHBondContact CG2-OG1 3.22Å; L15-T51 HydrophobicContact CD2-CG2 4.19Å; L19-T51 HydrophobicContact CB-CG2 4.48Å; A20-T51 HydrophobicContact CB-CG2 4.03Å; E47-T51 WeakPolarHBondContact O-CB 3.39Å; E47-T51 PolarHBondContact O-N 3.21Å; E47-T51 PolarHBondContact O-OG1 2.77Å; L48-T51 PolarHBondContact O-N 2.95Å; S49-T51 VanDerWaalsContact C-N 3.28Å; S49-T51 PolarHBondContact O-N 3.33Å; T51-L55 HydrophobicContact CG2-CD1 3.84Å; T51-L55 HydrophobicContact CG2-CG 4.34Å; T51-L55 WeakPolarHBondContact O-CB 3.44Å; T51-L55 VanDerWaalsContact O-CG 3.22Å; T51-L55 WeakPolarHBondContact O-CG 3.36Å; T51-L55 PolarHBondContact O-N 2.83Å
52L88.4Confident84.3Confident1 Ų146.9 Ų46.91%0.00525%0.251CS..Hα-helixtrans-67.6-46.4178.3-69.4175.5000111.3A20 L34 I36 L48 S49 Y54 L55 L56 M88 L89 V92 I93A20-L52 HydrophobicContact CB-CD2 3.87Å; L34-L52 HydrophobicContact CD1-CD2 4.21Å; L34-L52 HydrophobicContact CD2-CD2 3.62Å; L34-L52 HydrophobicContact CG-CD2 4.38Å; I36-L52 HydrophobicContact CD1-CD2 4.45Å; L48-L52 HydrophobicContact CD1-CD1 4.31Å; L48-L52 HydrophobicContact CD1-CG 4.22Å; L48-L52 HydrophobicContact CG-CD1 4.14Å; L48-L52 HydrophobicContact CG-CG 4.46Å; L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 VanDerWaalsContact O-CG 3.24Å; L48-L52 WeakPolarHBondContact O-CG 3.27Å; L48-L52 PolarHBondContact O-N 3.42Å; S49-L52 PolarHBondContact O-N 3.11Å; S49-L52 VanDerWaalsContact O-N 3.11Å; L52-Y54 VanDerWaalsContact C-N 3.28Å; L52-Y54 PolarHBondContact O-N 3.32Å; L52-L55 PolarHBondContact O-N 3.11Å; L52-L56 HydrophobicContact CB-CD1 4.31Å; L52-L56 VanDerWaalsContact O-CB 3.28Å; L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 WeakPolarHBondContact O-CD1 3.14Å; L52-L56 WeakPolarHBondContact O-CG 3.31Å; L52-L56 PolarHBondContact O-N 2.92Å; L52-M88 HydrophobicContact CD1-CE 4.32Å; L52-L89 HydrophobicContact CD1-CD2 4.35Å; L52-V92 HydrophobicContact CB-CG1 3.95Å; L52-V92 HydrophobicContact CD1-CG1 4.26Å; L52-I93 HydrophobicContact CD2-CD1 4.38Å
53D87.4Confident85Confident80 Ų8041.6 Ų41.643%0.42823%0.228SC..Hα-helixtrans-55.7-45178-69.4-28.6000111.3S49 S57S49-D53 VanDerWaalsContact O-CG 3.27Å; S49-D53 PolarHBondContact O-N 3.04Å; D53-S57 PolarHBondContact O-N 2.93Å
54Y89.3Confident85.7Confident0 Ų041.8 Ų41.80%023%0.226CC..Hα-helixtrans-66.2-53.5175174.2-102.2000112.4M6 A8 I11 L15 A50 L52 L56 S57 I58 W161 R165 E169M6-Y54 HydrophobicContact CB-CD2 4.4Å; M6-Y54 HydrophobicContact CG-CD2 4.45Å; M6-Y54 VanDerWaalsContact O-CD2 3.29Å; M6-Y54 WeakPolarHBondContact O-CD2 3.32Å; M6-Y54 WeakPolarHBondContact O-CE2 3.45Å; A8-Y54 HydrophobicContact CB-CE1 4.49Å; A8-Y54 HydrophobicContact CB-CE2 4.2Å; A8-Y54 WeakPolarHBondContact CB-OH 3.49Å; I11-Y54 VanDerWaalsContact CD1-CB 3.42Å; I11-Y54 HydrophobicContact CD1-CD1 3.97Å; I11-Y54 HydrophobicContact CD1-CD2 4.12Å; I11-Y54 HydrophobicContact CD1-CG 3.56Å; I11-Y54 HydrophobicContact CG1-CG 4.49Å; L15-Y54 HydrophobicContact CD1-CD1 3.93Å; L15-Y54 HydrophobicContact CD1-CE1 3.67Å; L15-Y54 HydrophobicContact CD2-CD1 3.67Å; L15-Y54 HydrophobicContact CD2-CE1 4.1Å; L15-Y54 HydrophobicContact CG-CD1 4.42Å; A50-Y54 WeakPolarHBondContact O-CB 3.47Å; A50-Y54 PolarHBondContact O-N 3.33Å; A50-Y54 VanDerWaalsContact O-N 3.08Å; L52-Y54 VanDerWaalsContact C-N 3.28Å; L52-Y54 PolarHBondContact O-N 3.32Å; Y54-L56 PolarHBondContact O-N 2.84Å; Y54-S57 WeakPolarHBondContact O-CB 3.2Å; Y54-S57 PolarHBondContact O-N 2.73Å; Y54-S57 PolarHBondContact O-OG 2.81Å; Y54-I58 HydrophobicContact CD1-CD1 4.2Å; Y54-I58 HydrophobicContact CE1-CD1 3.64Å; Y54-I58 HydrophobicContact CE1-CG1 4.46Å; Y54-W161 HydrophobicContact CE1-CH2 4.06Å; Y54-R165 WeakPolarHBondContact OH-CG 3.4Å; Y54-R165 PolarHBondContact OH-NE 3.47Å; Y54-E169 PolarHBondContact OH-OE1 3.44Å
55L88.4Confident85.6Confident1 Ų143.9 Ų43.91%0.00525%0.246CC..Hα-helixtrans-61.2-30.7-177.4-73.5176.4000113.1A20 L22 L34 T51 L52 S57 I58 P59 W161A20-L55 HydrophobicContact CB-CD1 3.97Å; A20-L55 WeakPolarHBondContact O-CD1 3.28Å; L22-L55 HydrophobicContact CD1-CB 4.28Å; L22-L55 WeakPolarHBondContact CD1-O 3.32Å; L22-L55 HydrophobicContact CG-CB 4.49Å; L34-L55 HydrophobicContact CD1-CD1 4.2Å; T51-L55 HydrophobicContact CG2-CD1 3.84Å; T51-L55 HydrophobicContact CG2-CG 4.34Å; T51-L55 WeakPolarHBondContact O-CB 3.44Å; T51-L55 VanDerWaalsContact O-CG 3.22Å; T51-L55 WeakPolarHBondContact O-CG 3.36Å; T51-L55 PolarHBondContact O-N 2.83Å; L52-L55 PolarHBondContact O-N 3.11Å; L55-S57 VanDerWaalsContact C-N 3.35Å; L55-I58 HydrophobicContact CD2-CD1 4.07Å; L55-I58 WeakPolarHBondContact O-CB 3.44Å; L55-P59 WeakPolarHBondContact O-CD 3.49Å; L55-W161 HydrophobicContact CD2-CH2 3.45Å; L55-W161 VanDerWaalsContact CD2-CH2 3.45Å; L55-W161 HydrophobicContact CD2-CZ2 3.74Å; L55-W161 HydrophobicContact CD2-CZ3 4.4Å
56L86.5Confident85.6Confident19 Ų1946.1 Ų46.110%0.09925%0.251CS..Hα-helixtrans-80.3-18.5178.4-64.4166.7000112.8L52 Y54 K64 F68 V92 I93L52-L56 HydrophobicContact CB-CD1 4.31Å; L52-L56 VanDerWaalsContact O-CB 3.28Å; L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 WeakPolarHBondContact O-CD1 3.14Å; L52-L56 WeakPolarHBondContact O-CG 3.31Å; L52-L56 PolarHBondContact O-N 2.92Å; Y54-L56 PolarHBondContact O-N 2.84Å; L56-K64 WeakPolarHBondContact O-CE 3.33Å; L56-F68 HydrophobicContact CD2-CD1 4.45Å; L56-F68 HydrophobicContact CD2-CD2 4.42Å; L56-F68 HydrophobicContact CD2-CE1 3.88Å; L56-F68 HydrophobicContact CD2-CE2 3.86Å; L56-F68 HydrophobicContact CD2-CZ 3.55Å; L56-V92 HydrophobicContact CD1-CG1 4.31Å; L56-I93 HydrophobicContact CD1-CB 4.45Å; L56-I93 HydrophobicContact CD1-CD1 3.65Å; L56-I93 HydrophobicContact CD1-CG1 3.61Å; L56-I93 HydrophobicContact CD1-CG2 4.14Å; L56-I93 HydrophobicContact CD2-CD1 4.21Å; L56-I93 HydrophobicContact CD2-CG2 4.2Å; L56-I93 HydrophobicContact CG-CD1 4.46Å
57S85.8Confident85.6Confident59 Ų5938.6 Ų38.641%0.41322%0.217SC..Hα-helixtrans-72.7-19.917278.90000113.1D53 Y54 L55D53-S57 PolarHBondContact O-N 2.93Å; Y54-S57 WeakPolarHBondContact O-CB 3.2Å; Y54-S57 PolarHBondContact O-N 2.73Å; Y54-S57 PolarHBondContact O-OG 2.81Å; L55-S57 VanDerWaalsContact C-N 3.35Å
58I84.9Confident85.6Confident10 Ų1036.3 Ų36.35%0.05121%0.206CC..SBendtrans-74.7-53.3-173.6-65.4177.9000112.2Y54 L55 W161 M247 E249Y54-I58 HydrophobicContact CD1-CD1 4.2Å; Y54-I58 HydrophobicContact CE1-CD1 3.64Å; Y54-I58 HydrophobicContact CE1-CG1 4.46Å; L55-I58 HydrophobicContact CD2-CD1 4.07Å; L55-I58 WeakPolarHBondContact O-CB 3.44Å; I58-W161 HydrophobicContact CD1-CH2 4.31Å; I58-W161 HydrophobicContact CD1-CZ2 3.83Å; I58-M247 HydrophobicContact CG2-SD 4.37Å; I58-E249 VanDerWaalsContact CG2-CD 3.41Å; I58-E249 WeakPolarHBondContact CG2-OE2 3.33Å
59P84.8Confident85.7Confident3 Ų336.3 Ų36.32%0.01921%0.206CC..SBendtrans-63.2143.3178.1-23.434.2000112.6L22 L32 L55 C63 K64 F68 M247L22-P59 HydrophobicContact CD1-CG 4.01Å; L32-P59 HydrophobicContact CD1-CB 3.6Å; L32-P59 HydrophobicContact CD1-CG 3.49Å; L32-P59 VanDerWaalsContact CD1-CG 3.49Å; L55-P59 WeakPolarHBondContact O-CD 3.49Å; P59-C63 HydrophobicContact CB-CB 3.98Å; P59-K64 HydrophobicContact CB-CG 4.2Å; P59-K64 WeakPolarHBondContact O-CE 3.08Å; P59-F68 HydrophobicContact CG-CE1 4.42Å; P59-F68 HydrophobicContact CG-CZ 4.23Å; P59-M247 HydrophobicContact CG-SD 4.34Å
60S81.3Confident85.9Confident49 Ų4934.7 Ų34.734%0.34320%0.195SC..  trans-61.6155.5170.374.10000111.8K62 C63 K64S60-K62 PolarHBondContact O-N 3.45Å; S60-K62 VanDerWaalsContact O-N 3.1Å; S60-C63 WeakPolarHBondContact O-CA 3.41Å; S60-C63 WeakPolarHBondContact O-CB 3.49Å; S60-C63 PolarHBondContact O-N 3.01Å; S60-C63 PolarHBondContact OG-N 3.05Å; S60-C63 PolarHBondContact OG-SG 3.27Å; S60-K64 PolarHBondContact O-N 3.18Å
61D82.9Confident86.1Confident121 Ų12133.8 Ų33.865%0.64719%0.188SC*.Hα-helixtrans-56.7-29.4176-63.9-31.7000112.5K64 A65D61-K64 PolarHBondContact O-N 3Å; D61-K64 WeakPolarHBondContact OD1-CE 2.93Å; D61-K64 IonicContact OD1-NZ 2.69Å; D61-K64 PolarHBondContact OD1-NZ 3.13Å; D61-A65 WeakPolarHBondContact O-CB 3.5Å; D61-A65 PolarHBondContact O-N 3.01Å
62K81.6Confident86.2Confident123 Ų12333.8 Ų33.854%0.53519%0.187SC..Hα-helixtrans-65.8-36.4174-178.7-172.4168.4-153.80112.6S60 E248S60-K62 PolarHBondContact O-N 3.45Å; S60-K62 VanDerWaalsContact O-N 3.1Å; K62-E248 IonicContact NZ-OE1 3.78Å; K62-E248 PolarHBondContact NZ-OE1 3.05Å
63C79.7Confident86.4Confident8 Ų834.4 Ų34.45%0.05419%0.191CC..Hα-helixtrans-74-44.7175-56.20000110.6L32 P59 S60 A65 R66 E248L32-C63 HydrophobicContact CD1-CB 4.03Å; P59-C63 HydrophobicContact CB-CB 3.98Å; S60-C63 WeakPolarHBondContact O-CA 3.41Å; S60-C63 WeakPolarHBondContact O-CB 3.49Å; S60-C63 PolarHBondContact O-N 3.01Å; S60-C63 PolarHBondContact OG-N 3.05Å; S60-C63 PolarHBondContact OG-SG 3.27Å; C63-A65 VanDerWaalsContact C-N 3.29Å; C63-A65 PolarHBondContact O-N 2.98Å; C63-R66 WeakPolarHBondContact O-CB 3.46Å; C63-R66 PolarHBondContact O-N 3.12Å; C63-R66 VanDerWaalsContact O-N 3.09Å; C63-E248 PolarHBondContact SG-OE2 2.92Å
64K82.1Confident86.4Confident35 Ų3530.7 Ų30.715%0.15217%0.171CC..Hα-helixtrans-57.9-38.3177.3-72.6-175.5-118.1162.30113L56 P59 S60 D61 R66 G67 F68 E96L56-K64 WeakPolarHBondContact O-CE 3.33Å; P59-K64 HydrophobicContact CB-CG 4.2Å; P59-K64 WeakPolarHBondContact O-CE 3.08Å; S60-K64 PolarHBondContact O-N 3.18Å; D61-K64 PolarHBondContact O-N 3Å; D61-K64 WeakPolarHBondContact OD1-CE 2.93Å; D61-K64 IonicContact OD1-NZ 2.69Å; D61-K64 PolarHBondContact OD1-NZ 3.13Å; K64-R66 PolarHBondContact O-N 2.85Å; K64-R66 VanDerWaalsContact O-N 3.1Å; K64-G67 WeakPolarHBondContact O-CA 3.28Å; K64-G67 PolarHBondContact O-N 3.27Å; K64-F68 HydrophobicContact CB-CE2 4.45Å; K64-F68 HydrophobicContact CG-CE2 4.08Å; K64-F68 HydrophobicContact CG-CZ 4.14Å; K64-E96 WeakPolarHBondContact CB-OE2 3.39Å; K64-E96 WeakPolarHBondContact CD-OE2 3.34Å; K64-E96 WeakPolarHBondContact CG-OE2 3.46Å
65A82.8Confident86.2Confident89 Ų8934.9 Ų34.974%0.73619%0.187SC*.THydrogen-bonded Turntrans-61-19.117700000114.6D61 C63 G67D61-A65 WeakPolarHBondContact O-CB 3.5Å; D61-A65 PolarHBondContact O-N 3.01Å; C63-A65 VanDerWaalsContact C-N 3.29Å; C63-A65 PolarHBondContact O-N 2.98Å; A65-G67 VanDerWaalsContact C-N 3.28Å
66R84.1Confident86Confident107 Ų10744.2 Ų44.240%0.40422%0.222SC..THydrogen-bonded Turntrans-83.5-10.5174.1-57.9179.3-177.9-166.9-3.7112.7S30 C63 K64S30-R66 WeakPolarHBondContact O-CD 3.22Å; C63-R66 WeakPolarHBondContact O-CB 3.46Å; C63-R66 PolarHBondContact O-N 3.12Å; C63-R66 VanDerWaalsContact O-N 3.09Å; K64-R66 PolarHBondContact O-N 2.85Å; K64-R66 VanDerWaalsContact O-N 3.1Å
67G85.8Confident86Confident4 Ų444.1 Ų44.14%0.04122%0.223CC..  trans76.3171.7-18000000114.9G31 L32 K64 A65 E96G31-G67 CarbonylContact C-O 3.45Å; G31-G67 WeakPolarHBondContact CA-O 3.34Å; L32-G67 PolarHBondContact N-O 3.08Å; K64-G67 WeakPolarHBondContact O-CA 3.28Å; K64-G67 PolarHBondContact O-N 3.27Å; A65-G67 VanDerWaalsContact C-N 3.28Å; G67-E96 CarbonylContact C-O 3.58Å; G67-E96 VanDerWaalsContact C-O 3.28Å; G67-E96 WeakPolarHBondContact CA-O 3.08Å
68F88.5Confident85.8Confident0 Ų047.2 Ų47.20%023%0.231CC..EExtended strand (participates in β ladder)trans-110.4138.8-177.3-67.8-93000110.7L22 L32 L34 L56 P59 K64 V70 I93 E96 S98 L99L22-F68 HydrophobicContact CD2-CD1 4.45Å; L22-F68 HydrophobicContact CD2-CE1 4.12Å; L32-F68 HydrophobicContact CB-CD1 3.7Å; L32-F68 HydrophobicContact CB-CE1 3.75Å; L32-F68 HydrophobicContact CD1-CE1 3.78Å; L32-F68 HydrophobicContact CD1-CZ 4.14Å; L32-F68 HydrophobicContact CG-CE1 4.39Å; L32-F68 CarbonylContact O-C 3.59Å; L32-F68 VanDerWaalsContact O-CA 3.26Å; L32-F68 WeakPolarHBondContact O-CA 3.23Å; L34-F68 HydrophobicContact CB-CD1 4.33Å; L56-F68 HydrophobicContact CD2-CD1 4.45Å; L56-F68 HydrophobicContact CD2-CD2 4.42Å; L56-F68 HydrophobicContact CD2-CE1 3.88Å; L56-F68 HydrophobicContact CD2-CE2 3.86Å; L56-F68 HydrophobicContact CD2-CZ 3.55Å; P59-F68 HydrophobicContact CG-CE1 4.42Å; P59-F68 HydrophobicContact CG-CZ 4.23Å; K64-F68 HydrophobicContact CB-CE2 4.45Å; K64-F68 HydrophobicContact CG-CE2 4.08Å; K64-F68 HydrophobicContact CG-CZ 4.14Å; F68-V70 HydrophobicContact CB-CG2 4.3Å; F68-I93 HydrophobicContact CD2-CG2 4.44Å; F68-E96 HydrophobicContact CD2-CB 3.86Å; F68-E96 HydrophobicContact CE2-CB 4.1Å; F68-E96 WeakPolarHBondContact CE2-OE2 3.37Å; F68-E96 PolarHBondContact N-O 2.95Å; F68-S98 PolarHBondContact O-N 2.86Å; F68-L99 PolarHBondContact O-N 2.63Å
69T90.9Very high85.7Confident0 Ų049.1 Ų49.10%024%0.238CC..EExtended strand (participates in β ladder)trans-98.9115.1159-72.20000108.1D27 R29 L32 I33 L34 L99 I141D27-T69 PolarHBondContact OD2-OG1 3.2Å; R29-T69 PolarHBondContact NH2-OG1 3.4Å; L32-T69 PolarHBondContact O-N 3.02Å; I33-T69 WeakPolarHBondContact CA-O 3.33Å; L34-T69 PolarHBondContact N-O 3.01Å; T69-L99 CarbonylContact C-O 3.6Å; T69-L99 WeakPolarHBondContact CA-O 3.33Å; T69-L99 HydrophobicContact CG2-CB 4.27Å; T69-L99 HydrophobicContact CG2-CD2 4.11Å; T69-L99 HydrophobicContact CG2-CG 4.34Å; T69-I141 HydrophobicContact CG2-CD1 4.03Å
70V91.5Very high85.5Confident0 Ų054.4 Ų54.40%027%0.266CS..EExtended strand (participates in β ladder)trans-98.4118-177.3-1710000110.1L34 I36 F68 V72 L89 V97 L99 V100 C101L34-V70 HydrophobicContact CB-CG2 4.37Å; L34-V70 HydrophobicContact CD2-CG1 4.22Å; L34-V70 HydrophobicContact CD2-CG2 4.14Å; L34-V70 HydrophobicContact CG-CG1 4.41Å; L34-V70 CarbonylContact O-C 3.5Å; L34-V70 VanDerWaalsContact O-CA 3.23Å; L34-V70 WeakPolarHBondContact O-CA 3.32Å; I36-V70 HydrophobicContact CD1-CG1 3.88Å; I36-V70 HydrophobicContact CG1-CG1 4.19Å; F68-V70 HydrophobicContact CB-CG2 4.3Å; V70-V72 HydrophobicContact CG1-CG2 4.1Å; V70-L89 HydrophobicContact CB-CD1 4.22Å; V70-L89 HydrophobicContact CG1-CD1 3.79Å; V70-L89 HydrophobicContact CG1-CD2 4.24Å; V70-L89 HydrophobicContact CG2-CD1 4.48Å; V70-V97 HydrophobicContact CG2-CG1 3.99Å; V70-V97 HydrophobicContact CG2-CG2 3.88Å; V70-L99 PolarHBondContact N-O 3.4Å; V70-V100 HydrophobicContact CB-CG2 4.34Å; V70-V100 CarbonylContact O-C 3.52Å; V70-V100 WeakPolarHBondContact O-CA 3.44Å; V70-C101 PolarHBondContact O-N 2.99Å
71I92.8Very high85.6Confident0 Ų053.6 Ų53.60%026%0.257CS..EExtended strand (participates in β ladder)trans-92.8113.5173.1-57.4177000108I33 L34 T35 I36 C101 V103 L137 I141 L146 F150I33-I71 HydrophobicContact CG2-CD1 3.69Å; I33-I71 HydrophobicContact CG2-CG1 4.11Å; L34-I71 PolarHBondContact O-N 3.22Å; T35-I71 CarbonylContact C-O 3.5Å; T35-I71 WeakPolarHBondContact CA-O 3.33Å; T35-I71 HydrophobicContact CG2-CB 4.29Å; T35-I71 HydrophobicContact CG2-CG2 4.4Å; I36-I71 PolarHBondContact N-O 3.3Å; I71-C101 CarbonylContact C-O 3.59Å; I71-C101 WeakPolarHBondContact CA-O 3.45Å; I71-C101 HydrophobicContact CG1-CB 4.4Å; I71-V103 HydrophobicContact CG2-CG2 3.61Å; I71-L137 HydrophobicContact CG2-CD1 4.31Å; I71-I141 HydrophobicContact CD1-CD1 3.83Å; I71-I141 HydrophobicContact CG1-CD1 4.3Å; I71-L146 HydrophobicContact CD1-CD1 3.51Å; I71-F150 HydrophobicContact CG2-CD1 4.49Å; I71-F150 HydrophobicContact CG2-CE1 4.01Å; I71-F150 HydrophobicContact CG2-CE2 4.21Å; I71-F150 HydrophobicContact CG2-CZ 3.87Å
72V91.7Very high85.6Confident0 Ų047.9 Ų47.90%023%0.227CC..EExtended strand (participates in β ladder)trans-101.4101.8174.6-178.40000108L38 V70 G74 V82 V85 V86 L89 V100 C101 V102 V103L38-V72 HydrophobicContact CD1-CG1 3.42Å; L38-V72 VanDerWaalsContact CD1-CG1 3.42Å; L38-V72 HydrophobicContact CG-CG1 4.09Å; V70-V72 HydrophobicContact CG1-CG2 4.1Å; V72-G74 PolarHBondContact O-N 2.65Å; V72-G74 VanDerWaalsContact O-N 3.13Å; V72-V82 HydrophobicContact CG1-CG1 4.13Å; V72-V85 HydrophobicContact CG1-CG1 4.41Å; V72-V86 HydrophobicContact CG2-CG2 4.42Å; V72-L89 HydrophobicContact CG2-CD1 4.23Å; V72-V100 HydrophobicContact CG2-CG1 3.91Å; V72-C101 PolarHBondContact N-O 2.87Å; V72-V102 HydrophobicContact CB-CG2 4.47Å; V72-V102 WeakPolarHBondContact O-CA 3.4Å; V72-V103 PolarHBondContact O-N 3.25Å
73D91.1Very high85.7Confident15 Ų1545.3 Ų45.38%0.0822%0.216CC..EExtended strand (participates in β ladder)trans-81.494.8179.9-170.8-2.2000111I36 L38 R75 F150I36-D73 PolarHBondContact O-N 3.2Å; L38-D73 VanDerWaalsContact CB-O 3.28Å; L38-D73 WeakPolarHBondContact CB-O 3.45Å; L38-D73 PolarHBondContact N-O 2.7Å; D73-R75 VanDerWaalsContact C-N 3.34Å; D73-R75 WeakPolarHBondContact OD1-CB 3.44Å; D73-R75 WeakPolarHBondContact OD1-CG 3.21Å; D73-R75 IonicContact OD1-CZ 3.87Å; D73-R75 PolarHBondContact OD1-N 3.46Å; D73-R75 IonicContact OD1-NE 3.3Å; D73-R75 PolarHBondContact OD1-NE 3.38Å; D73-R75 IonicContact OD2-CZ 2.72Å; D73-R75 VanDerWaalsContact OD2-CZ 3.31Å; D73-R75 IonicContact OD2-NE 3.58Å; D73-R75 PolarHBondContact OD2-NE 3.14Å; D73-R75 IonicContact OD2-NH2 2.78Å; D73-R75 PolarHBondContact OD2-NH2 2.82Å; D73-F150 HydrophobicContact CB-CE1 3.9Å; D73-F150 HydrophobicContact CB-CZ 3.94Å; D73-F150 WeakPolarHBondContact OD2-CE1 3.37Å
74G86.9Confident85.9Confident2 Ų248.1 Ų48.12%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-87.67.917800000114.4V72 R76 S77 V103V72-G74 PolarHBondContact O-N 2.65Å; V72-G74 VanDerWaalsContact O-N 3.13Å; G74-R76 PolarHBondContact O-N 3.25Å; G74-S77 PolarHBondContact O-N 3.25Å; G74-V103 CarbonylContact C-O 3.56Å; G74-V103 WeakPolarHBondContact CA-O 3.37Å; G74-V103 PolarHBondContact N-O 3.03Å
75R87.1Confident86.1Confident87 Ų8746.5 Ų46.533%0.32823%0.225SC..EExtended strand (participates in β ladder)trans-60.9-31.7-175.8-70.7179.5-66-179.3-1.9113.2D73 V103 P105 D149D73-R75 VanDerWaalsContact C-N 3.34Å; D73-R75 WeakPolarHBondContact OD1-CB 3.44Å; D73-R75 WeakPolarHBondContact OD1-CG 3.21Å; D73-R75 IonicContact OD1-CZ 3.87Å; D73-R75 PolarHBondContact OD1-N 3.46Å; D73-R75 IonicContact OD1-NE 3.3Å; D73-R75 PolarHBondContact OD1-NE 3.38Å; D73-R75 IonicContact OD2-CZ 2.72Å; D73-R75 VanDerWaalsContact OD2-CZ 3.31Å; D73-R75 IonicContact OD2-NE 3.58Å; D73-R75 PolarHBondContact OD2-NE 3.14Å; D73-R75 IonicContact OD2-NH2 2.78Å; D73-R75 PolarHBondContact OD2-NH2 2.82Å; R75-V103 HydrophobicContact CG-CG1 4.14Å; R75-P105 HydrophobicContact CB-CG 4.37Å; R75-P105 HydrophobicContact CG-CG 4.39Å; R75-D149 PolarHBondContact NH1-O 3.1Å; R75-D149 PolarHBondContact NH2-O 3.08Å
76R84.1Confident86.2Confident198 Ų19842.2 Ų42.275%0.74719%0.19SC*.EExtended strand (participates in β ladder)trans-112.117.9-178.2-56.7-173.8-175.1-150.63.8113.4S40 G74S40-R76 PolarHBondContact N-O 2.65Å; S40-R76 PolarHBondContact OG-O 3.32Å; G74-R76 PolarHBondContact O-N 3.25Å
77S85.2Confident86.1Confident17 Ų1740.1 Ų40.112%0.11919%0.187CC..SBendtrans-129.1153.9-173.3-167.70000114.4S40 G74S40-S77 WeakPolarHBondContact OG-CA 3.49Å; G74-S77 PolarHBondContact O-N 3.25Å
78Q83Confident86Confident123 Ų12341.1 Ų41.158%0.57519%0.191SC*.  trans-70.8144.8172.1-62.7-172.24.900111.6S40 N80 I81 V82S40-Q78 PolarHBondContact OG-N 2.94Å; Q78-N80 VanDerWaalsContact C-N 3.3Å; Q78-N80 PolarHBondContact O-N 2.81Å; Q78-I81 HydrophobicContact CB-CD1 4.16Å; Q78-I81 HydrophobicContact CB-CG1 4.32Å; Q78-I81 WeakPolarHBondContact O-CB 3.43Å; Q78-I81 PolarHBondContact O-N 2.93Å; Q78-V82 PolarHBondContact O-N 3Å
79W80.8Confident85.7Confident51 Ų5141.1 Ų41.119%0.19319%0.191CC..Hα-helixtrans-63.1-31.9-174.7-175.1-128.5000114.7I81 V82 K83 V102 C117 F118 L131W79-I81 VanDerWaalsContact C-N 3.3Å; W79-I81 PolarHBondContact O-N 2.77Å; W79-V82 HydrophobicContact CE3-CB 3.76Å; W79-V82 HydrophobicContact CE3-CG1 3.86Å; W79-V82 HydrophobicContact CE3-CG2 4.15Å; W79-V82 HydrophobicContact CZ3-CB 4.13Å; W79-V82 HydrophobicContact CZ3-CG1 3.68Å; W79-V82 PolarHBondContact O-N 3.39Å; W79-K83 VanDerWaalsContact NE1-CE 3.27Å; W79-K83 WeakPolarHBondContact O-CG 3.46Å; W79-K83 PolarHBondContact O-N 3.49Å; W79-V102 HydrophobicContact CZ3-CG1 4.06Å; W79-C117 HydrophobicContact CH2-CB 4.23Å; W79-C117 HydrophobicContact CZ2-CB 3.57Å; W79-C117 VanDerWaalsContact CZ2-SG 3.53Å; W79-F118 HydrophobicContact CH2-CD2 4.18Å; W79-F118 AromaticContact CH2-CE2 3.37Å; W79-F118 HydrophobicContact CH2-CE2 3.37Å; W79-F118 HydrophobicContact CH2-CZ 4.11Å; W79-F118 HydrophobicContact CZ2-CD2 4.23Å; W79-F118 AromaticContact CZ2-CE2 3.59Å; W79-F118 HydrophobicContact CZ2-CE2 3.59Å; W79-F118 HydrophobicContact CZ2-CZ 4.16Å; W79-F118 HydrophobicContact CZ3-CE2 4.25Å; W79-L131 HydrophobicContact CH2-CD2 3.91Å; W79-L131 HydrophobicContact CZ3-CD2 4.37Å
80N81Confident85Confident113 Ų11344.2 Ų44.260%0.60421%0.205SC*.Hα-helixtrans-65.5-35.3175.8-68.7-20.3000111.7Q78 T84Q78-N80 VanDerWaalsContact C-N 3.3Å; Q78-N80 PolarHBondContact O-N 2.81Å; N80-T84 WeakPolarHBondContact O-CB 3.4Å; N80-T84 PolarHBondContact O-N 3.4Å; N80-T84 PolarHBondContact O-OG1 2.84Å
81I84Confident84.1Confident33 Ų3350.7 Ų50.717%0.16924%0.24CC..Hα-helixtrans-67.8-46.8175.2-59.3174.2000109.5T43 M45 Q78 W79 K83 T84 V85T43-I81 HydrophobicContact CG2-CG2 4.32Å; M45-I81 HydrophobicContact CE-CG2 3.87Å; Q78-I81 HydrophobicContact CB-CD1 4.16Å; Q78-I81 HydrophobicContact CB-CG1 4.32Å; Q78-I81 WeakPolarHBondContact O-CB 3.43Å; Q78-I81 PolarHBondContact O-N 2.93Å; W79-I81 VanDerWaalsContact C-N 3.3Å; W79-I81 PolarHBondContact O-N 2.77Å; I81-K83 VanDerWaalsContact C-N 3.33Å; I81-K83 PolarHBondContact O-N 2.92Å; I81-T84 WeakPolarHBondContact O-CB 3.2Å; I81-T84 PolarHBondContact O-N 3.39Å; I81-T84 VanDerWaalsContact O-N 3.09Å; I81-V85 WeakPolarHBondContact O-CG2 2.93Å; I81-V85 PolarHBondContact O-N 2.77Å
82V83.9Confident83Confident0 Ų052.4 Ų52.40%025%0.25CC..Hα-helixtrans-55.6-47175.4-178.80000111.4L38 V72 Q78 W79 T84 V85 V86 V102L38-V82 HydrophobicContact CD1-CB 4.16Å; L38-V82 HydrophobicContact CD1-CG2 3.68Å; V72-V82 HydrophobicContact CG1-CG1 4.13Å; Q78-V82 PolarHBondContact O-N 3Å; W79-V82 HydrophobicContact CE3-CB 3.76Å; W79-V82 HydrophobicContact CE3-CG1 3.86Å; W79-V82 HydrophobicContact CE3-CG2 4.15Å; W79-V82 HydrophobicContact CZ3-CB 4.13Å; W79-V82 HydrophobicContact CZ3-CG1 3.68Å; W79-V82 PolarHBondContact O-N 3.39Å; V82-T84 VanDerWaalsContact C-N 3.34Å; V82-T84 PolarHBondContact O-N 2.89Å; V82-V85 PolarHBondContact O-N 2.77Å; V82-V86 HydrophobicContact CG1-CG2 4.5Å; V82-V86 VanDerWaalsContact O-CG2 3.29Å; V82-V86 WeakPolarHBondContact O-CG2 3.43Å; V82-V86 PolarHBondContact O-N 2.89Å; V82-V102 HydrophobicContact CG1-CG1 3.63Å
83K82.1Confident81.9Confident70 Ų7052.7 Ų52.730%0.30425%0.251SS..Hα-helixtrans-59.7-44.2175.2-77.9-176.3168.2179.70112.4W79 I81 V86 L87 F118W79-K83 VanDerWaalsContact NE1-CE 3.27Å; W79-K83 WeakPolarHBondContact O-CG 3.46Å; W79-K83 PolarHBondContact O-N 3.49Å; I81-K83 VanDerWaalsContact C-N 3.33Å; I81-K83 PolarHBondContact O-N 2.92Å; K83-V86 PolarHBondContact O-N 3.09Å; K83-L87 WeakPolarHBondContact O-CB 2.88Å; K83-L87 WeakPolarHBondContact O-CG 3.48Å; K83-L87 PolarHBondContact O-N 3.36Å; K83-F118 HydrophobicContact CB-CE1 4.3Å; K83-F118 HydrophobicContact CB-CZ 4.31Å; K83-F118 HydrophobicContact CG-CE1 3.76Å; K83-F118 HydrophobicContact CG-CZ 3.61Å
84T85Confident80.3Confident66 Ų6655.1 Ų55.141%0.40527%0.268SS..Hα-helixtrans-62.7-43.6-179.9-55.40000110.9M45 N80 I81 V82 L87 M88M45-T84 HydrophobicContact CE-CG2 3.61Å; M45-T84 HydrophobicContact CG-CG2 4.38Å; M45-T84 HydrophobicContact SD-CG2 3.91Å; N80-T84 WeakPolarHBondContact O-CB 3.4Å; N80-T84 PolarHBondContact O-N 3.4Å; N80-T84 PolarHBondContact O-OG1 2.84Å; I81-T84 WeakPolarHBondContact O-CB 3.2Å; I81-T84 PolarHBondContact O-N 3.39Å; I81-T84 VanDerWaalsContact O-N 3.09Å; V82-T84 VanDerWaalsContact C-N 3.34Å; V82-T84 PolarHBondContact O-N 2.89Å; T84-L87 PolarHBondContact O-N 2.99Å; T84-M88 VanDerWaalsContact O-CB 3.28Å; T84-M88 WeakPolarHBondContact O-CB 3.37Å; T84-M88 PolarHBondContact O-N 2.84Å
85V86.6Confident79Confident1 Ų159.8 Ų59.81%0.00631%0.306CS..Hα-helixtrans-65.3-44.1176.1172.30000111.8I36 L38 M45 L48 V72 I81 V82 L87 M88 L89I36-V85 HydrophobicContact CD1-CG1 3.88Å; I36-V85 HydrophobicContact CG2-CG1 4.19Å; L38-V85 HydrophobicContact CD2-CB 4.49Å; L38-V85 HydrophobicContact CD2-CG1 4.49Å; L38-V85 HydrophobicContact CD2-CG2 3.79Å; M45-V85 HydrophobicContact CE-CG2 3.83Å; M45-V85 HydrophobicContact SD-CG2 3.97Å; L48-V85 HydrophobicContact CD2-CG1 4.13Å; L48-V85 HydrophobicContact CD2-CG2 3.75Å; V72-V85 HydrophobicContact CG1-CG1 4.41Å; I81-V85 WeakPolarHBondContact O-CG2 2.93Å; I81-V85 PolarHBondContact O-N 2.77Å; V82-V85 PolarHBondContact O-N 2.77Å; V85-L87 VanDerWaalsContact C-N 3.31Å; V85-L87 PolarHBondContact O-N 3.02Å; V85-M88 WeakPolarHBondContact O-CB 3.37Å; V85-M88 PolarHBondContact O-N 2.98Å; V85-M88 VanDerWaalsContact O-N 3.13Å; V85-L89 WeakPolarHBondContact O-CG 3.49Å; V85-L89 PolarHBondContact O-N 3.42Å
86V83.8Confident78Confident0 Ų058.5 Ų58.50%030%0.304CS..Hα-helixtrans-61.8-39.7176.6173.50000111.5V72 V82 K83 V100 V102 F118 F127 V129V72-V86 HydrophobicContact CG2-CG2 4.42Å; V82-V86 HydrophobicContact CG1-CG2 4.5Å; V82-V86 VanDerWaalsContact O-CG2 3.29Å; V82-V86 WeakPolarHBondContact O-CG2 3.43Å; V82-V86 PolarHBondContact O-N 2.89Å; K83-V86 PolarHBondContact O-N 3.09Å; V86-V100 HydrophobicContact CG2-CG1 4.29Å; V86-V102 HydrophobicContact CG2-CG2 3.99Å; V86-F118 HydrophobicContact CB-CE1 4.29Å; V86-F118 HydrophobicContact CB-CZ 4.26Å; V86-F118 HydrophobicContact CG1-CE1 4.11Å; V86-F118 HydrophobicContact CG1-CZ 4.33Å; V86-F118 HydrophobicContact CG2-CZ 4.32Å; V86-F127 HydrophobicContact CG1-CE2 4.27Å; V86-F127 WeakPolarHBondContact O-CZ 3.44Å; V86-V129 HydrophobicContact CG1-CG2 4.22Å
87L82.9Confident77.7Confident63 Ų6349.5 Ų49.533%0.3327%0.271SS..Hα-helixtrans-69.4-35173.7-71.7167.5000112.2K83 T84 V85 L89 Q90 L125K83-L87 WeakPolarHBondContact O-CB 2.88Å; K83-L87 WeakPolarHBondContact O-CG 3.48Å; K83-L87 PolarHBondContact O-N 3.36Å; T84-L87 PolarHBondContact O-N 2.99Å; V85-L87 VanDerWaalsContact C-N 3.31Å; V85-L87 PolarHBondContact O-N 3.02Å; L87-L89 VanDerWaalsContact C-N 3.33Å; L87-L89 PolarHBondContact O-N 3.3Å; L87-Q90 WeakPolarHBondContact O-CB 3.26Å; L87-Q90 PolarHBondContact O-N 2.93Å; L87-L125 HydrophobicContact CD2-CD2 4.1Å
88M83.8Confident77.5Confident25 Ų2550.5 Ų50.512%0.12328%0.278CS..Hα-helixtrans-64-37.8176.6178.3-175.5176.800112M45 L48 L52 T84 V85 Q90 N91 V92M45-M88 WeakPolarHBondContact O-CE 3.11Å; M45-M88 HydrophobicContact SD-SD 4.19Å; L48-M88 HydrophobicContact CD2-SD 4.09Å; L48-M88 HydrophobicContact CG-CE 4.37Å; L48-M88 HydrophobicContact CG-SD 4.38Å; L52-M88 HydrophobicContact CD1-CE 4.32Å; T84-M88 VanDerWaalsContact O-CB 3.28Å; T84-M88 WeakPolarHBondContact O-CB 3.37Å; T84-M88 PolarHBondContact O-N 2.84Å; V85-M88 WeakPolarHBondContact O-CB 3.37Å; V85-M88 PolarHBondContact O-N 2.98Å; V85-M88 VanDerWaalsContact O-N 3.13Å; M88-Q90 PolarHBondContact O-N 3.25Å; M88-Q90 VanDerWaalsContact O-N 3.13Å; M88-N91 PolarHBondContact O-N 3.21Å; M88-V92 HydrophobicContact CE-CG2 3.92Å; M88-V92 HydrophobicContact CG-CG2 3.87Å; M88-V92 PolarHBondContact O-N 3.41Å
89L82.1Confident77.6Confident0 Ų045.4 Ų45.40%026%0.255CS..Hα-helixtrans-57.3-27.2175.3-67.3171.3000112.5I36 L52 V70 V72 V85 L87 N91 I93 V100 F127I36-L89 HydrophobicContact CD1-CD2 4.02Å; L52-L89 HydrophobicContact CD1-CD2 4.35Å; V70-L89 HydrophobicContact CB-CD1 4.22Å; V70-L89 HydrophobicContact CG1-CD1 3.79Å; V70-L89 HydrophobicContact CG1-CD2 4.24Å; V70-L89 HydrophobicContact CG2-CD1 4.48Å; V72-L89 HydrophobicContact CG2-CD1 4.23Å; V85-L89 WeakPolarHBondContact O-CG 3.49Å; V85-L89 PolarHBondContact O-N 3.42Å; L87-L89 VanDerWaalsContact C-N 3.33Å; L87-L89 PolarHBondContact O-N 3.3Å; L89-N91 VanDerWaalsContact C-N 3.31Å; L89-N91 PolarHBondContact O-N 2.74Å; L89-I93 HydrophobicContact CD2-CD1 3.6Å; L89-I93 HydrophobicContact CD2-CG1 4.23Å; L89-I93 CarbonylContact O-C 3.42Å; L89-I93 WeakPolarHBondContact O-CA 3.39Å; L89-I93 PolarHBondContact O-N 3.06Å; L89-V100 HydrophobicContact CD1-CG1 4.26Å; L89-V100 HydrophobicContact CD1-CG2 4.14Å; L89-F127 HydrophobicContact CB-CE1 4.27Å; L89-F127 HydrophobicContact CB-CZ 4.06Å
90Q75.8Confident78Confident64 Ų6443 Ų4330%0.29925%0.246SC..Hα-helixtrans-66.7-30.4172.9-176.4177.211.300113.1L87 M88 P94 R124 F127L87-Q90 WeakPolarHBondContact O-CB 3.26Å; L87-Q90 PolarHBondContact O-N 2.93Å; M88-Q90 PolarHBondContact O-N 3.25Å; M88-Q90 VanDerWaalsContact O-N 3.13Å; Q90-P94 WeakPolarHBondContact O-CB 2.97Å; Q90-P94 VanDerWaalsContact O-CD 3.27Å; Q90-P94 WeakPolarHBondContact O-CD 3.19Å; Q90-P94 WeakPolarHBondContact O-CG 3.46Å; Q90-R124 PolarHBondContact NE2-O 3.22Å; Q90-F127 HydrophobicContact CB-CE1 4.22Å; Q90-F127 HydrophobicContact CB-CZ 4.43Å
91N72.9Confident78.4Confident137 Ų13737.6 Ų37.673%0.73322%0.217SC*.Hα-helixtrans-92.9-32.2-178.7-64.9-35.1000111.9M88 L89M88-N91 PolarHBondContact O-N 3.21Å; L89-N91 VanDerWaalsContact C-N 3.31Å; L89-N91 PolarHBondContact O-N 2.74Å
92V69.6Low78.6Confident35 Ų3536 Ų3621%0.21221%0.209CC..Hα-helixtrans-90.2-33.1-175.4-176.10000112.1L52 L56 M88L52-V92 HydrophobicContact CB-CG1 3.95Å; L52-V92 HydrophobicContact CD1-CG1 4.26Å; L56-V92 HydrophobicContact CD1-CG1 4.31Å; M88-V92 HydrophobicContact CE-CG2 3.92Å; M88-V92 HydrophobicContact CG-CG2 3.87Å; M88-V92 PolarHBondContact O-N 3.41Å
93I68.1Low78.8Confident6 Ų636 Ų363%0.03121%0.209CC..SBendtrans-138.333.7-171.6-27.1179.5000114.5L34 L52 L56 F68 L89 A95 E96 V97L34-I93 HydrophobicContact CD2-CD1 3.87Å; L52-I93 HydrophobicContact CD2-CD1 4.38Å; L56-I93 HydrophobicContact CD1-CB 4.45Å; L56-I93 HydrophobicContact CD1-CD1 3.65Å; L56-I93 HydrophobicContact CD1-CG1 3.61Å; L56-I93 HydrophobicContact CD1-CG2 4.14Å; L56-I93 HydrophobicContact CD2-CD1 4.21Å; L56-I93 HydrophobicContact CD2-CG2 4.2Å; L56-I93 HydrophobicContact CG-CD1 4.46Å; F68-I93 HydrophobicContact CD2-CG2 4.44Å; L89-I93 HydrophobicContact CD2-CD1 3.6Å; L89-I93 HydrophobicContact CD2-CG1 4.23Å; L89-I93 CarbonylContact O-C 3.42Å; L89-I93 WeakPolarHBondContact O-CA 3.39Å; L89-I93 PolarHBondContact O-N 3.06Å; I93-A95 VanDerWaalsContact C-N 3.35Å; I93-A95 PolarHBondContact O-N 3.22Å; I93-E96 HydrophobicContact CG2-CB 4.24Å; I93-E96 PolarHBondContact O-N 2.73Å; I93-V97 HydrophobicContact CB-CG2 3.63Å; I93-V97 HydrophobicContact CD1-CG2 4.43Å; I93-V97 HydrophobicContact CG2-CG2 3.64Å; I93-V97 WeakPolarHBondContact O-CG2 3.29Å; I93-V97 PolarHBondContact O-N 3.01Å
94P58.3Low78.7Confident67 Ų6733.1 Ų33.144%0.43520%0.196SC..THydrogen-bonded Turntrans-62.9-33.6-167.418.1-27.4000115.4Q90Q90-P94 WeakPolarHBondContact O-CB 2.97Å; Q90-P94 VanDerWaalsContact O-CD 3.27Å; Q90-P94 WeakPolarHBondContact O-CD 3.19Å; Q90-P94 WeakPolarHBondContact O-CG 3.46Å
95A58.3Low78.2Confident99 Ų9932.2 Ų32.282%0.81819%0.191SC*.THydrogen-bonded Turntrans-86-11.9-171.500000113.7I93I93-A95 VanDerWaalsContact C-N 3.35Å; I93-A95 PolarHBondContact O-N 3.22Å
96E66.6Low77.3Confident61 Ų6136.7 Ų36.729%0.28522%0.215SC..THydrogen-bonded Turntrans-124.7-7.5-169-58.2177.4175.800112.7K64 G67 F68 I93 S98K64-E96 WeakPolarHBondContact CB-OE2 3.39Å; K64-E96 WeakPolarHBondContact CD-OE2 3.34Å; K64-E96 WeakPolarHBondContact CG-OE2 3.46Å; G67-E96 CarbonylContact C-O 3.58Å; G67-E96 VanDerWaalsContact C-O 3.28Å; G67-E96 WeakPolarHBondContact CA-O 3.08Å; F68-E96 HydrophobicContact CD2-CB 3.86Å; F68-E96 HydrophobicContact CE2-CB 4.1Å; F68-E96 WeakPolarHBondContact CE2-OE2 3.37Å; F68-E96 PolarHBondContact N-O 2.95Å; I93-E96 HydrophobicContact CG2-CB 4.24Å; I93-E96 PolarHBondContact O-N 2.73Å; E96-S98 PolarHBondContact O-N 3.35Å
97V77.6Confident76.3Confident8 Ų845 Ų455%0.04825%0.254CS..EExtended strand (participates in β ladder)trans-83.6118.4176.2176.60000110.5V70 I93 V100 F127V70-V97 HydrophobicContact CG2-CG1 3.99Å; V70-V97 HydrophobicContact CG2-CG2 3.88Å; I93-V97 HydrophobicContact CB-CG2 3.63Å; I93-V97 HydrophobicContact CD1-CG2 4.43Å; I93-V97 HydrophobicContact CG2-CG2 3.64Å; I93-V97 WeakPolarHBondContact O-CG2 3.29Å; I93-V97 PolarHBondContact O-N 3.01Å; V97-V100 HydrophobicContact CG1-CG2 3.53Å; V97-F127 HydrophobicContact CB-CB 4.24Å; V97-F127 HydrophobicContact CB-CD1 3.96Å; V97-F127 HydrophobicContact CB-CG 4.24Å; V97-F127 HydrophobicContact CG1-CB 3.86Å; V97-F127 HydrophobicContact CG1-CD1 4Å; V97-F127 HydrophobicContact CG1-CD2 4.4Å; V97-F127 HydrophobicContact CG1-CG 3.84Å; V97-F127 VanDerWaalsContact O-CB 3.29Å; V97-F127 WeakPolarHBondContact O-CB 3.49Å
98S81.1Confident75.2Confident39 Ų3945.5 Ų45.527%0.27325%0.254SS..EExtended strand (participates in β ladder)trans-100.6-19.6-177.5-62.30000113.1R29 F68 E96R29-S98 PolarHBondContact NH1-O 3.1Å; R29-S98 VanDerWaalsContact NH1-O 3.14Å; F68-S98 PolarHBondContact O-N 2.86Å; E96-S98 PolarHBondContact O-N 3.35Å
99L86.4Confident74.2Confident16 Ų1648.5 Ų48.58%0.08426%0.264CS..EExtended strand (participates in β ladder)trans-161.3138.6176.9178.763.6000110.4F68 T69 V70 E128 I130F68-L99 PolarHBondContact O-N 2.63Å; T69-L99 CarbonylContact C-O 3.6Å; T69-L99 WeakPolarHBondContact CA-O 3.33Å; T69-L99 HydrophobicContact CG2-CB 4.27Å; T69-L99 HydrophobicContact CG2-CD2 4.11Å; T69-L99 HydrophobicContact CG2-CG 4.34Å; V70-L99 PolarHBondContact N-O 3.4Å; L99-E128 CarbonylContact C-O 3.52Å; L99-E128 HydrophobicContact CD1-CB 4.08Å; L99-E128 HydrophobicContact CD1-CG 4.06Å; L99-I130 HydrophobicContact CD1-CD1 4.18Å; L99-I130 HydrophobicContact CD1-CG1 4.04Å; L99-I130 HydrophobicContact CD1-CG2 3.99Å; L99-I130 HydrophobicContact CD2-CD1 4.25Å
100V88.6Confident72.8Confident0 Ų055.8 Ų55.80%030%0.303CS..EExtended strand (participates in β ladder)trans-117.5115.6170.6-177.90000109.8V70 V72 V86 L89 V97 V102 F127 E128 V129 I130V70-V100 HydrophobicContact CB-CG2 4.34Å; V70-V100 CarbonylContact O-C 3.52Å; V70-V100 WeakPolarHBondContact O-CA 3.44Å; V72-V100 HydrophobicContact CG2-CG1 3.91Å; V86-V100 HydrophobicContact CG2-CG1 4.29Å; L89-V100 HydrophobicContact CD1-CG1 4.26Å; L89-V100 HydrophobicContact CD1-CG2 4.14Å; V97-V100 HydrophobicContact CG1-CG2 3.53Å; V100-V102 HydrophobicContact CG1-CG2 4.2Å; V100-F127 HydrophobicContact CB-CD2 4.37Å; V100-F127 HydrophobicContact CG2-CD2 3.49Å; V100-F127 VanDerWaalsContact CG2-CD2 3.49Å; V100-F127 HydrophobicContact CG2-CE2 3.64Å; V100-F127 HydrophobicContact CG2-CG 4.17Å; V100-F127 HydrophobicContact CG2-CZ 4.41Å; V100-E128 PolarHBondContact N-O 3.29Å; V100-V129 HydrophobicContact CB-CG2 4.25Å; V100-V129 CarbonylContact O-C 3.4Å; V100-V129 WeakPolarHBondContact O-CA 3.38Å; V100-I130 PolarHBondContact O-N 3.02Å
101C89.4Confident71.8Confident0 Ų060.5 Ų60.50%032%0.322CS..EExtended strand (participates in β ladder)trans-98.6104.8177.7-61.50000110V70 I71 V72 I130 V132 L137V70-C101 PolarHBondContact O-N 2.99Å; I71-C101 CarbonylContact C-O 3.59Å; I71-C101 WeakPolarHBondContact CA-O 3.45Å; I71-C101 HydrophobicContact CG1-CB 4.4Å; V72-C101 PolarHBondContact N-O 2.87Å; C101-I130 HydrophobicContact CB-CG1 4.24Å; C101-V132 HydrophobicContact CB-CG1 4.28Å; C101-L137 HydrophobicContact CB-CD2 3.68Å
102V88.7Confident70.7Confident0 Ų064.4 Ų64.40%033%0.333CS..EExtended strand (participates in β ladder)trans-88.6110.9176.5-177.30000109.6V72 W79 V82 V86 V100 V129 I130 L131 V132V72-V102 HydrophobicContact CB-CG2 4.47Å; V72-V102 WeakPolarHBondContact O-CA 3.4Å; W79-V102 HydrophobicContact CZ3-CG1 4.06Å; V82-V102 HydrophobicContact CG1-CG1 3.63Å; V86-V102 HydrophobicContact CG2-CG2 3.99Å; V100-V102 HydrophobicContact CG1-CG2 4.2Å; V102-V129 HydrophobicContact CG2-CG1 3.91Å; V102-I130 PolarHBondContact N-O 2.8Å; V102-L131 HydrophobicContact CB-CD2 3.99Å; V102-L131 HydrophobicContact CG1-CD2 3.95Å; V102-V132 PolarHBondContact O-N 2.95Å
103V88.3Confident69.8Low0 Ų067.5 Ų67.50%035%0.352CS..EExtended strand (participates in β ladder)trans-86131.4-178.2-1670000110.7I71 V72 G74 R75 V132 A134 L137 F150I71-V103 HydrophobicContact CG2-CG2 3.61Å; V72-V103 PolarHBondContact O-N 3.25Å; G74-V103 CarbonylContact C-O 3.56Å; G74-V103 WeakPolarHBondContact CA-O 3.37Å; G74-V103 PolarHBondContact N-O 3.03Å; R75-V103 HydrophobicContact CG-CG1 4.14Å; V103-V132 VanDerWaalsContact CA-O 3.31Å; V103-V132 WeakPolarHBondContact CA-O 3.25Å; V103-A134 HydrophobicContact CG1-CB 3.85Å; V103-L137 HydrophobicContact CG2-CD1 3.69Å; V103-L137 HydrophobicContact CG2-CG 4.45Å; V103-F150 HydrophobicContact CG1-CD1 4.48Å; V103-F150 HydrophobicContact CG1-CE1 4.48Å; V103-F150 HydrophobicContact CG2-CD1 4.25Å; V103-F150 HydrophobicContact CG2-CE1 4.02Å
104K79.2Confident69Low8 Ų868.5 Ų68.54%0.03536%0.358CS..EExtended strand (participates in β ladder)trans-125.8155.3-179.7-74.4-68.9-172.7171.80112.7F108 L131 V132K104-F108 HydrophobicContact CB-CB 4.23Å; K104-F108 HydrophobicContact CB-CD1 4.12Å; K104-F108 HydrophobicContact CB-CG 4.3Å; K104-F108 HydrophobicContact CD-CD1 4Å; K104-F108 HydrophobicContact CD-CD2 4.39Å; K104-F108 HydrophobicContact CD-CE1 4.08Å; K104-F108 HydrophobicContact CD-CE2 4.47Å; K104-F108 HydrophobicContact CD-CG 4.17Å; K104-F108 HydrophobicContact CD-CZ 4.32Å; K104-F108 HydrophobicContact CG-CD1 3.94Å; K104-F108 HydrophobicContact CG-CE1 4.23Å; K104-F108 HydrophobicContact CG-CG 4.41Å; K104-L131 HydrophobicContact CG-CD2 4.27Å; K104-V132 PolarHBondContact N-O 2.74Å; K104-V132 VanDerWaalsContact N-O 3.12Å
105P75.2Confident68.5Low47 Ų4773.7 Ų73.731%0.30538%0.376SS..  trans-59.9145.9170-18.131.3000110.4R75 E107 F108R75-P105 HydrophobicContact CB-CG 4.37Å; R75-P105 HydrophobicContact CG-CG 4.39Å; P105-E107 PolarHBondContact O-N 3.09Å; P105-F108 WeakPolarHBondContact O-CB 3.26Å; P105-F108 PolarHBondContact O-N 2.77Å
106D66.6Low67.9Low96 Ų9677.8 Ų77.851%0.51338%0.376SS..G310 helixtrans-61.7-32.6-177.6-74-47.4000112.6F108 W109 S133D106-F108 PolarHBondContact O-N 2.75Å; D106-F108 VanDerWaalsContact O-N 3.11Å; D106-W109 PolarHBondContact O-N 2.76Å; D106-S133 WeakPolarHBondContact OD1-CB 3.44Å; D106-S133 PolarHBondContact OD1-OG 3.46Å
107E63.7Low67.4Low173 Ų17376.1 Ų76.181%0.80837%0.37SS*.G310 helixtrans-63.9-13.6175.7-61.1176.1174.800114P105 W109P105-E107 PolarHBondContact O-N 3.09Å; E107-W109 VanDerWaalsContact C-N 3.28Å; E107-W109 PolarHBondContact O-N 2.91Å
108F58.8Low66.4Low74 Ų7476.5 Ų76.533%0.32537%0.371SS..G310 helixtrans-73.4-19.4-177.5-164.9-100.5000113K104 P105 D106 T114K104-F108 HydrophobicContact CB-CB 4.23Å; K104-F108 HydrophobicContact CB-CD1 4.12Å; K104-F108 HydrophobicContact CB-CG 4.3Å; K104-F108 HydrophobicContact CD-CD1 4Å; K104-F108 HydrophobicContact CD-CD2 4.39Å; K104-F108 HydrophobicContact CD-CE1 4.08Å; K104-F108 HydrophobicContact CD-CE2 4.47Å; K104-F108 HydrophobicContact CD-CG 4.17Å; K104-F108 HydrophobicContact CD-CZ 4.32Å; K104-F108 HydrophobicContact CG-CD1 3.94Å; K104-F108 HydrophobicContact CG-CE1 4.23Å; K104-F108 HydrophobicContact CG-CG 4.41Å; P105-F108 WeakPolarHBondContact O-CB 3.26Å; P105-F108 PolarHBondContact O-N 2.77Å; D106-F108 PolarHBondContact O-N 2.75Å; D106-F108 VanDerWaalsContact O-N 3.11Å; F108-T114 HydrophobicContact CD1-CG2 3.95Å; F108-T114 HydrophobicContact CE1-CG2 4Å
109W62.1Low65.1Low89 Ų8984 Ų8434%0.33739%0.393SS..G310 helixtrans-81.4-12.4-174.8-65102.5000114.3D106 E107 K111 T114 L131D106-W109 PolarHBondContact O-N 2.76Å; E107-W109 VanDerWaalsContact C-N 3.28Å; E107-W109 PolarHBondContact O-N 2.91Å; W109-K111 VanDerWaalsContact C-N 3.34Å; W109-K111 PolarHBondContact O-N 2.92Å; W109-T114 HydrophobicContact CD2-CG2 4.44Å; W109-T114 HydrophobicContact CE3-CG2 3.71Å; W109-T114 HydrophobicContact CZ3-CG2 3.93Å; W109-L131 HydrophobicContact CH2-CB 3.63Å; W109-L131 WeakPolarHBondContact CH2-O 3.46Å; W109-L131 HydrophobicContact CZ2-CB 4.22Å
110D54.2Low63.5Low152 Ų15292.9 Ų92.981%0.81343%0.432SS*.G310 helixtrans-86.35.8-174.6-86.5-24.4000115.1
111K54.1Low62Low163 Ų16396.1 Ų96.171%0.70945%0.447SS*.SBendtrans-116.3136174.5-68.3179.3-178.9173.40110.5W109 V113W109-K111 VanDerWaalsContact C-N 3.34Å; W109-K111 PolarHBondContact O-N 2.92Å; K111-V113 PolarHBondContact O-N 2.99Å
112K49.5Very low60.3Low220 Ų220102.6 Ų102.696%0.95748%0.475SS*.THydrogen-bonded Turntrans-59.627.7-179.7-67.8-176.4175.2179.50116
113V51.1Low58.9Low100 Ų100110.4 Ų110.461%0.60652%0.517SS*.THydrogen-bonded Turntrans-113.2-8.6-173.2-178.20000112.6K111 H115K111-V113 PolarHBondContact O-N 2.99Å; V113-H115 PolarHBondContact O-N 2.81Å
114T51.1Low57.7Low26 Ų26119.8 Ų119.816%0.1655%0.552CS.*G310 helixtrans-72-24.4-173.233.50000115.1F108 W109 F116F108-T114 HydrophobicContact CD1-CG2 3.95Å; F108-T114 HydrophobicContact CE1-CG2 4Å; W109-T114 HydrophobicContact CD2-CG2 4.44Å; W109-T114 HydrophobicContact CE3-CG2 3.71Å; W109-T114 HydrophobicContact CZ3-CG2 3.93Å; T114-F116 PolarHBondContact O-N 2.97Å
115H47.6Very low57.1Low177 Ų177120 Ų12082%0.81955%0.554SS**G310 helixtrans-80.7-7.6-179.7-90.2-79.8000115.6V113V113-H115 PolarHBondContact O-N 2.81Å
116F46.8Very low56.8Low185 Ų185120.7 Ų120.781%0.81157%0.569SS**G310 helixtrans-105.40.6-174.5-102.8-85.8000115T114 F118T114-F116 PolarHBondContact O-N 2.97Å; F116-F118 PolarHBondContact O-N 2.93Å
117C54.8Low57.5Low25 Ų25117 Ų11717%0.16955%0.549CS..SBendtrans-89.3107.4-172.8-78.50000110.2W79 L131W79-C117 HydrophobicContact CH2-CB 4.23Å; W79-C117 HydrophobicContact CZ2-CB 3.57Å; W79-C117 VanDerWaalsContact CZ2-SG 3.53Å; C117-L131 HydrophobicContact CB-CD1 4.17Å
118F57.5Low58.4Low16 Ų16114.7 Ų114.77%0.0754%0.538CS..SBendtrans83-4.8-179.1-54.9-76.9000118.2W79 K83 V86 F116 K120 E121 K122 L125 V129W79-F118 HydrophobicContact CH2-CD2 4.18Å; W79-F118 AromaticContact CH2-CE2 3.37Å; W79-F118 HydrophobicContact CH2-CE2 3.37Å; W79-F118 HydrophobicContact CH2-CZ 4.11Å; W79-F118 HydrophobicContact CZ2-CD2 4.23Å; W79-F118 AromaticContact CZ2-CE2 3.59Å; W79-F118 HydrophobicContact CZ2-CE2 3.59Å; W79-F118 HydrophobicContact CZ2-CZ 4.16Å; W79-F118 HydrophobicContact CZ3-CE2 4.25Å; K83-F118 HydrophobicContact CB-CE1 4.3Å; K83-F118 HydrophobicContact CB-CZ 4.31Å; K83-F118 HydrophobicContact CG-CE1 3.76Å; K83-F118 HydrophobicContact CG-CZ 3.61Å; V86-F118 HydrophobicContact CB-CE1 4.29Å; V86-F118 HydrophobicContact CB-CZ 4.26Å; V86-F118 HydrophobicContact CG1-CE1 4.11Å; V86-F118 HydrophobicContact CG1-CZ 4.33Å; V86-F118 HydrophobicContact CG2-CZ 4.32Å; F116-F118 PolarHBondContact O-N 2.93Å; F118-K120 VanDerWaalsContact C-N 3.29Å; F118-K120 PolarHBondContact O-N 3Å; F118-E121 CarbonylContact O-C 3.33Å; F118-E121 PolarHBondContact O-N 3.19Å; F118-K122 PolarHBondContact O-N 3.02Å; F118-L125 HydrophobicContact CD1-CD1 4.46Å; F118-V129 HydrophobicContact CD2-CG1 4.46Å
119W52.9Low59.5Low196 Ų196113 Ų11374%0.74253%0.534SS*.G310 helixtrans-64-30.7-179.5-146.983.2000113.8E121W119-E121 PolarHBondContact O-N 3.3Å
120K54.2Low60.6Low204 Ų204109.8 Ų109.889%0.88752%0.522SS*.G310 helixtrans-68.7-17.8173.1-102.8-173.9177.1-177.90113.9F118F118-K120 VanDerWaalsContact C-N 3.29Å; F118-K120 PolarHBondContact O-N 3Å
121E55.8Low62Low67 Ų67104.8 Ų104.831%0.31350%0.495SS..G310 helixtrans-113.7-0.6-175.6-73.6155172.300112F118 W119 D123 R124 L125F118-E121 CarbonylContact O-C 3.33Å; F118-E121 PolarHBondContact O-N 3.19Å; W119-E121 PolarHBondContact O-N 3.3Å; E121-D123 VanDerWaalsContact C-N 3.33Å; E121-D123 PolarHBondContact O-N 2.98Å; E121-R124 WeakPolarHBondContact O-CA 3.4Å; E121-R124 PolarHBondContact O-N 2.96Å; E121-L125 HydrophobicContact CB-CD1 4.08Å; E121-L125 HydrophobicContact CB-CG 4.39Å; E121-L125 WeakPolarHBondContact O-CG 3.37Å; E121-L125 PolarHBondContact O-N 3.15Å
122K54.7Low63.6Low136 Ų13697.3 Ų97.359%0.59146%0.464SS*.THydrogen-bonded Turntrans-57.2-39.9-174.4-171.9-178176.4-176.70113.5F118 R124F118-K122 PolarHBondContact O-N 3.02Å; K122-R124 VanDerWaalsContact C-N 3.31Å
123D58.3Low65.2Low165 Ų16587 Ų8788%0.88242%0.419SS*.THydrogen-bonded Turntrans-83.9-5.8178.4-59.9-32.7000113E121E121-D123 VanDerWaalsContact C-N 3.33Å; E121-D123 PolarHBondContact O-N 2.98Å
124R64.9Low66.7Low197 Ų19782.6 Ų82.674%0.74339%0.393SS*.THydrogen-bonded Turntrans-101-25.9178.8-68.3-173.4179.3-160.3-1.6113.4Q90 E121 K122Q90-R124 PolarHBondContact NE2-O 3.22Å; E121-R124 WeakPolarHBondContact O-CA 3.4Å; E121-R124 PolarHBondContact O-N 2.96Å; K122-R124 VanDerWaalsContact C-N 3.31Å
125L65.8Low68.1Low13 Ų1386.5 Ų86.57%0.06841%0.413CS..SBendtrans-83.1123176.6-66.4165000108.2L87 F118 E121 F127 V129L87-L125 HydrophobicContact CD2-CD2 4.1Å; F118-L125 HydrophobicContact CD1-CD1 4.46Å; E121-L125 HydrophobicContact CB-CD1 4.08Å; E121-L125 HydrophobicContact CB-CG 4.39Å; E121-L125 WeakPolarHBondContact O-CG 3.37Å; E121-L125 PolarHBondContact O-N 3.15Å; L125-F127 HydrophobicContact CB-CD2 4.45Å; L125-F127 HydrophobicContact CB-CE2 4.2Å; L125-F127 HydrophobicContact CD2-CE2 4.16Å; L125-F127 HydrophobicContact CD2-CZ 4Å; L125-F127 PolarHBondContact O-N 3.1Å; L125-V129 HydrophobicContact CD1-CG2 4.16Å
126G69.2Low69.9Low61 Ų6182.6 Ų82.663%0.62939%0.394SS*.SBendtrans-70.111.4-17700000115.4
127F80Confident71.8Confident19 Ų1973.8 Ų73.88%0.08336%0.355CS..SBendtrans-149157.6-172.146.3-106.9000112.1V86 L89 Q90 V97 V100 L125 V129V86-F127 HydrophobicContact CG1-CE2 4.27Å; V86-F127 WeakPolarHBondContact O-CZ 3.44Å; L89-F127 HydrophobicContact CB-CE1 4.27Å; L89-F127 HydrophobicContact CB-CZ 4.06Å; Q90-F127 HydrophobicContact CB-CE1 4.22Å; Q90-F127 HydrophobicContact CB-CZ 4.43Å; V97-F127 HydrophobicContact CB-CB 4.24Å; V97-F127 HydrophobicContact CB-CD1 3.96Å; V97-F127 HydrophobicContact CB-CG 4.24Å; V97-F127 HydrophobicContact CG1-CB 3.86Å; V97-F127 HydrophobicContact CG1-CD1 4Å; V97-F127 HydrophobicContact CG1-CD2 4.4Å; V97-F127 HydrophobicContact CG1-CG 3.84Å; V97-F127 VanDerWaalsContact O-CB 3.29Å; V97-F127 WeakPolarHBondContact O-CB 3.49Å; V100-F127 HydrophobicContact CB-CD2 4.37Å; V100-F127 HydrophobicContact CG2-CD2 3.49Å; V100-F127 VanDerWaalsContact CG2-CD2 3.49Å; V100-F127 HydrophobicContact CG2-CE2 3.64Å; V100-F127 HydrophobicContact CG2-CG 4.17Å; V100-F127 HydrophobicContact CG2-CZ 4.41Å; L125-F127 HydrophobicContact CB-CD2 4.45Å; L125-F127 HydrophobicContact CB-CE2 4.2Å; L125-F127 HydrophobicContact CD2-CE2 4.16Å; L125-F127 HydrophobicContact CD2-CZ 4Å; L125-F127 PolarHBondContact O-N 3.1Å; F127-V129 HydrophobicContact CD2-CG2 3.88Å; F127-V129 HydrophobicContact CE2-CG2 3.87Å
128E82.4Confident73.1Confident124 Ų12474.6 Ų74.658%0.57936%0.359SS*.  trans-76.3133.1177.4-173.2175.2-173.500111.3L99 V100 I130L99-E128 CarbonylContact C-O 3.52Å; L99-E128 HydrophobicContact CD1-CB 4.08Å; L99-E128 HydrophobicContact CD1-CG 4.06Å; V100-E128 PolarHBondContact N-O 3.29Å; E128-I130 HydrophobicContact CG-CG2 4.29Å
129V83.4Confident74.4Confident39 Ų3981.5 Ų81.524%0.23639%0.385CS..EExtended strand (participates in β ladder)trans-115.7123.4175.9-174.70000109.8V86 V100 V102 F118 L125 F127V86-V129 HydrophobicContact CG1-CG2 4.22Å; V100-V129 HydrophobicContact CB-CG2 4.25Å; V100-V129 CarbonylContact O-C 3.4Å; V100-V129 WeakPolarHBondContact O-CA 3.38Å; V102-V129 HydrophobicContact CG2-CG1 3.91Å; F118-V129 HydrophobicContact CD2-CG1 4.46Å; L125-V129 HydrophobicContact CD1-CG2 4.16Å; F127-V129 HydrophobicContact CD2-CG2 3.88Å; F127-V129 HydrophobicContact CE2-CG2 3.87Å
130I85.5Confident75.9Confident20 Ų2077.2 Ų77.210%0.10337%0.369CS..EExtended strand (participates in β ladder)trans-117.1139.3175.366.5172.2000111.2L99 V100 C101 V102 E128 Y140L99-I130 HydrophobicContact CD1-CD1 4.18Å; L99-I130 HydrophobicContact CD1-CG1 4.04Å; L99-I130 HydrophobicContact CD1-CG2 3.99Å; L99-I130 HydrophobicContact CD2-CD1 4.25Å; V100-I130 PolarHBondContact O-N 3.02Å; C101-I130 HydrophobicContact CB-CG1 4.24Å; V102-I130 PolarHBondContact N-O 2.8Å; E128-I130 HydrophobicContact CG-CG2 4.29Å; I130-Y140 HydrophobicContact CD1-CD1 3.94Å; I130-Y140 HydrophobicContact CD1-CD2 3.72Å; I130-Y140 HydrophobicContact CD1-CE1 3.83Å; I130-Y140 HydrophobicContact CD1-CE2 3.6Å; I130-Y140 HydrophobicContact CD1-CG 3.89Å
131L83.1Confident77.5Confident47 Ų4767.5 Ų67.525%0.24633%0.327CS..EExtended strand (participates in β ladder)trans-98.5122.7172.8-75.2148.4000108.3W79 V102 K104 W109 C117W79-L131 HydrophobicContact CH2-CD2 3.91Å; W79-L131 HydrophobicContact CZ3-CD2 4.37Å; V102-L131 HydrophobicContact CB-CD2 3.99Å; V102-L131 HydrophobicContact CG1-CD2 3.95Å; K104-L131 HydrophobicContact CG-CD2 4.27Å; W109-L131 HydrophobicContact CH2-CB 3.63Å; W109-L131 WeakPolarHBondContact CH2-O 3.46Å; W109-L131 HydrophobicContact CZ2-CB 4.22Å; C117-L131 HydrophobicContact CB-CD1 4.17Å
132V86.3Confident79Confident7 Ų768.8 Ų68.84%0.04233%0.333CS..EExtended strand (participates in β ladder)trans-145.4150.8-170.668.10000110.5C101 V102 V103 K104 K136 L137 Y140C101-V132 HydrophobicContact CB-CG1 4.28Å; V102-V132 PolarHBondContact O-N 2.95Å; V103-V132 VanDerWaalsContact CA-O 3.31Å; V103-V132 WeakPolarHBondContact CA-O 3.25Å; K104-V132 PolarHBondContact N-O 2.74Å; K104-V132 VanDerWaalsContact N-O 3.12Å; V132-K136 HydrophobicContact CG2-CB 3.53Å; V132-L137 HydrophobicContact CG1-CD2 3.49Å; V132-L137 VanDerWaalsContact CG1-CD2 3.49Å; V132-L137 HydrophobicContact CG1-CG 3.91Å; V132-Y140 HydrophobicContact CG2-CE2 4.18Å
133S84.6Confident80.6Confident3 Ų365.4 Ų65.42%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-84.5156.2168.2640000110.6D106 N135 K136 L137D106-S133 WeakPolarHBondContact OD1-CB 3.44Å; D106-S133 PolarHBondContact OD1-OG 3.46Å; S133-N135 VanDerWaalsContact C-N 3.27Å; S133-N135 PolarHBondContact O-N 2.94Å; S133-K136 PolarHBondContact O-N 3.22Å; S133-L137 PolarHBondContact O-N 3.36Å
134A82.8Confident81.9Confident7 Ų759.5 Ų59.56%0.05830%0.296CS..G310 helixtrans-51.4-48.2-176.300000111.6V103 K136 L137 F150V103-A134 HydrophobicContact CG1-CB 3.85Å; A134-K136 PolarHBondContact O-N 2.89Å; A134-K136 VanDerWaalsContact O-N 3.1Å; A134-L137 WeakPolarHBondContact O-CB 3.39Å; A134-L137 PolarHBondContact O-N 3.09Å; A134-L137 VanDerWaalsContact O-N 3.15Å; A134-F150 HydrophobicContact CB-CD1 4.34Å; A134-F150 VanDerWaalsContact O-O 3.14Å
135N79.4Confident83Confident109 Ų10951.6 Ų51.658%0.58327%0.268SS*.G310 helixtrans-66.3-15.1-179.2-61-24.6000114.7S133 T138S133-N135 VanDerWaalsContact C-N 3.27Å; S133-N135 PolarHBondContact O-N 2.94Å; N135-T138 PolarHBondContact O-OG1 3.02Å
136K84.9Confident84.1Confident95 Ų9551.1 Ų51.141%0.41327%0.265SS..G310 helixtrans-98.3-5.4179.5-71.3178.6-176.1169.40113.1V132 S133 A134 T138 R139V132-K136 HydrophobicContact CG2-CB 3.53Å; S133-K136 PolarHBondContact O-N 3.22Å; A134-K136 PolarHBondContact O-N 2.89Å; A134-K136 VanDerWaalsContact O-N 3.1Å; K136-T138 PolarHBondContact O-N 3.1Å; K136-R139 WeakPolarHBondContact O-CB 3.46Å; K136-R139 WeakPolarHBondContact O-CG 3.38Å; K136-R139 PolarHBondContact O-N 3.01Å
137L86.6Confident85Confident0 Ų048.4 Ų48.40%024%0.236CC..G310 helixtrans-60.7-30175.4-80.1168000112.6I71 C101 V103 V132 S133 A134 R139 Y140 I141 L146 F150I71-L137 HydrophobicContact CG2-CD1 4.31Å; C101-L137 HydrophobicContact CB-CD2 3.68Å; V103-L137 HydrophobicContact CG2-CD1 3.69Å; V103-L137 HydrophobicContact CG2-CG 4.45Å; V132-L137 HydrophobicContact CG1-CD2 3.49Å; V132-L137 VanDerWaalsContact CG1-CD2 3.49Å; V132-L137 HydrophobicContact CG1-CG 3.91Å; S133-L137 PolarHBondContact O-N 3.36Å; A134-L137 WeakPolarHBondContact O-CB 3.39Å; A134-L137 PolarHBondContact O-N 3.09Å; A134-L137 VanDerWaalsContact O-N 3.15Å; L137-R139 PolarHBondContact O-N 3.07Å; L137-Y140 PolarHBondContact O-N 3.4Å; L137-I141 PolarHBondContact O-N 3.32Å; L137-L146 HydrophobicContact CB-CD2 3.77Å; L137-F150 HydrophobicContact CD1-CB 3.64Å; L137-F150 HydrophobicContact CD1-CD1 3.57Å; L137-F150 HydrophobicContact CD1-CE1 4.45Å; L137-F150 HydrophobicContact CD1-CG 3.72Å
138T84Confident85.4Confident41 Ų4153.1 Ų53.125%0.25226%0.263SS..G310 helixtrans-58.9-13.5175.855.80000114.5N135 K136 I141 P143 L146N135-T138 PolarHBondContact O-OG1 3.02Å; K136-T138 PolarHBondContact O-N 3.1Å; T138-I141 CarbonylContact C-O 3.52Å; T138-I141 VanDerWaalsContact C-O 3.27Å; T138-I141 WeakPolarHBondContact CA-O 3.48Å; T138-P143 HydrophobicContact CG2-CG 4.07Å; T138-L146 HydrophobicContact CG2-CD2 4.34Å
139R84.2Confident85.6Confident161 Ų16151.1 Ų51.161%0.60826%0.256SS*.G310 helixtrans-75.4-27173.2-62.9-179-178.4-164.6-2.5112.9R28 K136 L137R28-R139 PolarHBondContact NH1-O 2.95Å; R28-R139 PolarHBondContact NH2-O 3.38Å; K136-R139 WeakPolarHBondContact O-CB 3.46Å; K136-R139 WeakPolarHBondContact O-CG 3.38Å; K136-R139 PolarHBondContact O-N 3.01Å; L137-R139 PolarHBondContact O-N 3.07Å
140Y83.4Confident85.8Confident106 Ų10649.4 Ų49.442%0.41625%0.245SC..THydrogen-bonded Turntrans-108-33.5-174.8-57.9-81.5000112I130 V132 L137I130-Y140 HydrophobicContact CD1-CD1 3.94Å; I130-Y140 HydrophobicContact CD1-CD2 3.72Å; I130-Y140 HydrophobicContact CD1-CE1 3.83Å; I130-Y140 HydrophobicContact CD1-CE2 3.6Å; I130-Y140 HydrophobicContact CD1-CG 3.89Å; V132-Y140 HydrophobicContact CG2-CE2 4.18Å; L137-Y140 PolarHBondContact O-N 3.4Å
141I89.1Confident85.7Confident1 Ų150.4 Ų50.41%0.00526%0.261CS..SBendtrans-118.5139.3178.7-60.9166000107.9D27 I33 T69 I71 L137 T138 Q145 L146D27-I141 HydrophobicContact CB-CG1 4.49Å; I33-I141 HydrophobicContact CD1-CB 4.48Å; I33-I141 HydrophobicContact CD1-CD1 3.92Å; I33-I141 HydrophobicContact CD1-CG1 4.21Å; I33-I141 HydrophobicContact CD1-CG2 3.47Å; I33-I141 VanDerWaalsContact CD1-CG2 3.47Å; I33-I141 HydrophobicContact CG1-CD1 4.31Å; T69-I141 HydrophobicContact CG2-CD1 4.03Å; I71-I141 HydrophobicContact CD1-CD1 3.83Å; I71-I141 HydrophobicContact CG1-CD1 4.3Å; L137-I141 PolarHBondContact O-N 3.32Å; T138-I141 CarbonylContact C-O 3.52Å; T138-I141 VanDerWaalsContact C-O 3.27Å; T138-I141 WeakPolarHBondContact CA-O 3.48Å; I141-Q145 HydrophobicContact CG2-CB 3.91Å; I141-L146 HydrophobicContact CD1-CD1 4.14Å; I141-L146 HydrophobicContact CG2-CB 3.98Å; I141-L146 HydrophobicContact CG2-CD1 4.35Å
142E87.5Confident85.9Confident94 Ų9449 Ų4944%0.43926%0.257SS..  trans-66.3140.7176.4-65.8-175.3172.700110.9R28 C144 Q145 L146R28-E142 HydrophobicContact CG-CG 4.43Å; E142-C144 PolarHBondContact O-N 3.09Å; E142-C144 VanDerWaalsContact O-N 3.11Å; E142-Q145 HydrophobicContact CB-CG 4.2Å; E142-Q145 PolarHBondContact O-N 3.31Å; E142-L146 PolarHBondContact O-N 2.69Å
143P86.9Confident85.9Confident65 Ų6551.4 Ų51.442%0.42228%0.275SS..G310 helixtrans-53.1-34.8-179.5-2834.6000114T138 Q145 L146 G152 S153T138-P143 HydrophobicContact CG2-CG 4.07Å; P143-Q145 PolarHBondContact O-N 2.9Å; P143-L146 PolarHBondContact O-N 3.16Å; P143-G152 CarbonylContact O-C 3.55Å; P143-G152 WeakPolarHBondContact O-CA 3.48Å; P143-S153 PolarHBondContact O-N 2.93Å
144C85.8Confident85.9Confident40 Ų4051.6 Ų51.627%0.2728%0.275SS..G310 helixtrans-72.1-11.6177.458.50000114.9E142 S153 A243E142-C144 PolarHBondContact O-N 3.09Å; E142-C144 VanDerWaalsContact O-N 3.11Å; C144-S153 WeakPolarHBondContact CA-OG 3.47Å; C144-A243 HydrophobicContact CB-CB 3.68Å
145Q87.9Confident86Confident32 Ų3257 Ų5715%0.1530%0.303CS..G310 helixtrans-105.42.2178.9-62.1-65.5-35.700112.3G25 K26 I33 I141 E142 P143 C245G25-Q145 WeakPolarHBondContact CA-O 3.39Å; K26-Q145 WeakPolarHBondContact O-CB 3.28Å; K26-Q145 VanDerWaalsContact O-CG 3.3Å; K26-Q145 WeakPolarHBondContact O-CG 3.37Å; I33-Q145 HydrophobicContact CD1-CB 4.37Å; I33-Q145 VanDerWaalsContact CD1-O 3.26Å; I33-Q145 WeakPolarHBondContact CD1-O 3.48Å; I141-Q145 HydrophobicContact CG2-CB 3.91Å; E142-Q145 HydrophobicContact CB-CG 4.2Å; E142-Q145 PolarHBondContact O-N 3.31Å; P143-Q145 PolarHBondContact O-N 2.9Å; Q145-C245 PolarHBondContact NE2-SG 3Å
146L88.6Confident86.3Confident2 Ų253.4 Ų53.41%0.0128%0.282CS..SBendtrans-119.7142.5-173.9-171.466.5000109.7I71 L137 T138 I141 E142 P143 F150 G152 S153 L154I71-L146 HydrophobicContact CD1-CD1 3.51Å; L137-L146 HydrophobicContact CB-CD2 3.77Å; T138-L146 HydrophobicContact CG2-CD2 4.34Å; I141-L146 HydrophobicContact CD1-CD1 4.14Å; I141-L146 HydrophobicContact CG2-CB 3.98Å; I141-L146 HydrophobicContact CG2-CD1 4.35Å; E142-L146 PolarHBondContact O-N 2.69Å; P143-L146 PolarHBondContact O-N 3.16Å; L146-F150 HydrophobicContact CD1-CB 3.89Å; L146-F150 HydrophobicContact CD1-CD2 4.13Å; L146-F150 HydrophobicContact CD1-CG 4.34Å; L146-F150 HydrophobicContact CD2-CB 3.64Å; L146-F150 VanDerWaalsContact CD2-O 3.26Å; L146-F150 WeakPolarHBondContact CD2-O 3.42Å; L146-F150 HydrophobicContact CG-CB 3.72Å; L146-G152 CarbonylContact O-C 3.59Å; L146-G152 WeakPolarHBondContact O-CA 3.46Å; L146-S153 PolarHBondContact O-N 3.4Å; L146-S153 VanDerWaalsContact O-N 3.11Å; L146-L154 WeakPolarHBondContact O-CB 3.3Å; L146-L154 PolarHBondContact O-N 2.81Å
147T88.8Confident86.5Confident4 Ų452.9 Ų52.93%0.02528%0.284CS..BIsolated β-bridgetrans-71.1159.8178.2590000111.8F21 D149 F150 G152 L154F21-T147 HydrophobicContact CE2-CG2 4.27Å; T147-D149 VanDerWaalsContact C-N 3.26Å; T147-D149 PolarHBondContact O-N 3.12Å; T147-F150 PolarHBondContact O-N 2.92Å; T147-F150 VanDerWaalsContact O-N 3.12Å; T147-F150 WeakPolarHBondContact OG1-CD2 3.26Å; T147-G152 PolarHBondContact O-N 3.38Å; T147-G152 VanDerWaalsContact O-N 3.08Å; T147-L154 WeakPolarHBondContact CA-O 2.84Å
148D87.8Confident86.6Confident119 Ų11953.7 Ų53.764%0.63629%0.287SS*.G310 helixtrans-54.7-36.8178.263.6-20000113.8F150 G151D148-F150 PolarHBondContact O-N 2.79Å; D148-G151 PolarHBondContact O-N 3.12Å
149D86.4Confident86.9Confident81 Ų8155.3 Ų55.343%0.43330%0.3SS..G310 helixtrans-51.4-22.9175.1-77.2-47.7000114.2R75 T147R75-D149 PolarHBondContact NH1-O 3.1Å; R75-D149 PolarHBondContact NH2-O 3.08Å; T147-D149 VanDerWaalsContact C-N 3.26Å; T147-D149 PolarHBondContact O-N 3.12Å
150F89Confident87Confident3 Ų349.6 Ų49.61%0.01328%0.282CS..G310 helixtrans-121.718.1-178.1-54.1-66.7000113.4T35 I71 D73 V103 A134 L137 L146 T147 D148T35-F150 HydrophobicContact CG2-CE2 3.66Å; T35-F150 HydrophobicContact CG2-CZ 3.81Å; I71-F150 HydrophobicContact CG2-CD1 4.49Å; I71-F150 HydrophobicContact CG2-CE1 4.01Å; I71-F150 HydrophobicContact CG2-CE2 4.21Å; I71-F150 HydrophobicContact CG2-CZ 3.87Å; D73-F150 HydrophobicContact CB-CE1 3.9Å; D73-F150 HydrophobicContact CB-CZ 3.94Å; D73-F150 WeakPolarHBondContact OD2-CE1 3.37Å; V103-F150 HydrophobicContact CG1-CD1 4.48Å; V103-F150 HydrophobicContact CG1-CE1 4.48Å; V103-F150 HydrophobicContact CG2-CD1 4.25Å; V103-F150 HydrophobicContact CG2-CE1 4.02Å; A134-F150 HydrophobicContact CB-CD1 4.34Å; A134-F150 VanDerWaalsContact O-O 3.14Å; L137-F150 HydrophobicContact CD1-CB 3.64Å; L137-F150 HydrophobicContact CD1-CD1 3.57Å; L137-F150 HydrophobicContact CD1-CE1 4.45Å; L137-F150 HydrophobicContact CD1-CG 3.72Å; L146-F150 HydrophobicContact CD1-CB 3.89Å; L146-F150 HydrophobicContact CD1-CD2 4.13Å; L146-F150 HydrophobicContact CD1-CG 4.34Å; L146-F150 HydrophobicContact CD2-CB 3.64Å; L146-F150 VanDerWaalsContact CD2-O 3.26Å; L146-F150 WeakPolarHBondContact CD2-O 3.42Å; L146-F150 HydrophobicContact CG-CB 3.72Å; T147-F150 PolarHBondContact O-N 2.92Å; T147-F150 VanDerWaalsContact O-N 3.12Å; T147-F150 WeakPolarHBondContact OG1-CD2 3.26Å; D148-F150 PolarHBondContact O-N 2.79Å
151G83.2Confident87.2Confident42 Ų4246.5 Ų46.543%0.43327%0.269SS..THydrogen-bonded Turntrans79.322.5176.600000114.5D148D148-G151 PolarHBondContact O-N 3.12Å
152G87.4Confident87.2Confident17 Ų1746.8 Ų46.818%0.17527%0.271CS..  trans-99.6-170.1170.800000113.6P143 L146 T147P143-G152 CarbonylContact O-C 3.55Å; P143-G152 WeakPolarHBondContact O-CA 3.48Å; L146-G152 CarbonylContact O-C 3.59Å; L146-G152 WeakPolarHBondContact O-CA 3.46Å; T147-G152 PolarHBondContact O-N 3.38Å; T147-G152 VanDerWaalsContact O-N 3.08Å
153S85.1Confident87.3Confident58 Ų5847 Ų4741%0.40628%0.275SS..  trans-13112.9-177.1700000113.5P143 C144 L146 A243P143-S153 PolarHBondContact O-N 2.93Å; C144-S153 WeakPolarHBondContact CA-OG 3.47Å; L146-S153 PolarHBondContact O-N 3.4Å; L146-S153 VanDerWaalsContact O-N 3.11Å; S153-A243 PolarHBondContact O-N 2.95Å
154L85.7Confident87.2Confident6 Ų645.4 Ų45.43%0.03126%0.261CS..BIsolated β-bridgetrans-77.6122.4172.8-17966.5000109L146 T147 A243 C245L146-L154 WeakPolarHBondContact O-CB 3.3Å; L146-L154 PolarHBondContact O-N 2.81Å; T147-L154 WeakPolarHBondContact CA-O 2.84Å; L154-A243 VanDerWaalsContact CD1-O 3.27Å; L154-A243 WeakPolarHBondContact CD1-O 3.24Å; L154-C245 HydrophobicContact CD1-CB 3.84Å
155D84.1Confident87.4Confident121 Ų12145 Ų4565%0.64725%0.254SS*.  trans-81128.6176.6-172.627.9000110.6P242D155-P242 HydrophobicContact CB-CB 3.93Å
156Y86.9Confident87.5Confident33 Ų3345.4 Ų45.413%0.12926%0.257CS..  trans-144.3109.5178.1179.2-98000110.9F21 L22 H158 W161F21-Y156 HydrophobicContact CB-CE1 3.9Å; F21-Y156 WeakPolarHBondContact CB-OH 3.36Å; F21-Y156 HydrophobicContact CD1-CE1 4.45Å; F21-Y156 AromaticContact CD2-CD1 3.57Å; F21-Y156 HydrophobicContact CD2-CD1 3.57Å; F21-Y156 AromaticContact CD2-CE1 3.22Å; F21-Y156 HydrophobicContact CD2-CE1 3.22Å; F21-Y156 HydrophobicContact CD2-CE2 4.24Å; F21-Y156 HydrophobicContact CD2-CG 4.22Å; F21-Y156 AromaticContact CD2-CZ 3.63Å; F21-Y156 AromaticContact CE2-CD1 3.62Å; F21-Y156 HydrophobicContact CE2-CD1 3.62Å; F21-Y156 AromaticContact CE2-CE1 3.77Å; F21-Y156 HydrophobicContact CE2-CE1 3.77Å; F21-Y156 HydrophobicContact CE2-CG 4.26Å; F21-Y156 HydrophobicContact CG-CD1 4.35Å; F21-Y156 AromaticContact CG-CE1 3.62Å; F21-Y156 HydrophobicContact CG-CE1 3.62Å; F21-Y156 AromaticContact CG-CZ 3.99Å; F21-Y156 HydrophobicContact CZ-CD1 4.44Å; L22-Y156 VanDerWaalsContact O-CE2 3.29Å; L22-Y156 WeakPolarHBondContact O-CE2 3.45Å; Y156-H158 HydrophobicContact CE1-CB 3.78Å; Y156-H158 AromaticContact CZ-ND1 3.96Å; Y156-H158 PolarHBondContact OH-ND1 3.49Å; Y156-W161 HydrophobicContact CE2-CB 4.09Å; Y156-W161 HydrophobicContact CE2-CG 4.2Å
157D87.8Confident87.5Confident85 Ų8548.1 Ų48.146%0.45527%0.274SS..  trans-103.2117.6167.7-176.9-16.6000109.8S159 D160 W161D157-S159 WeakPolarHBondContact OD1-CB 3.3Å; D157-S159 PolarHBondContact OD1-N 2.95Å; D157-D160 HydrophobicContact CB-CB 3.68Å; D157-D160 PolarHBondContact OD1-N 2.85Å; D157-W161 WeakPolarHBondContact O-CB 2.8Å; D157-W161 PolarHBondContact O-N 3.27Å
158H89.2Confident87.6Confident16 Ų1648.9 Ų48.97%0.07428%0.277CS..Hα-helixtrans-67.9-37.3-179.2-174.664.4000113L15 K18 Y156 L162L15-H158 PolarHBondContact O-NE2 2.95Å; K18-H158 HydrophobicContact CD-CB 3.87Å; K18-H158 HydrophobicContact CG-CB 4.2Å; Y156-H158 HydrophobicContact CE1-CB 3.78Å; Y156-H158 AromaticContact CZ-ND1 3.96Å; Y156-H158 PolarHBondContact OH-ND1 3.49Å; H158-L162 VanDerWaalsContact O-CB 3.25Å; H158-L162 WeakPolarHBondContact O-CB 3.13Å; H158-L162 PolarHBondContact O-N 3.24Å
159S89.3Confident87.7Confident75 Ų7544.8 Ų44.852%0.52425%0.254SS..Hα-helixtrans-69.5-42.2-179.8-52.90000110.1D157 L162 N163D157-S159 WeakPolarHBondContact OD1-CB 3.3Å; D157-S159 PolarHBondContact OD1-N 2.95Å; S159-L162 PolarHBondContact O-N 3.45Å; S159-N163 WeakPolarHBondContact O-CB 3.36Å; S159-N163 PolarHBondContact O-N 3.02Å; S159-N163 PolarHBondContact O-ND2 3.21Å
160D86.8Confident87.9Confident42 Ų4246.1 Ų46.123%0.22526%0.256CS..Hα-helixtrans-61.7-48.2174.5-17547.8000111.7D157 L162 K164 R227D157-D160 HydrophobicContact CB-CB 3.68Å; D157-D160 PolarHBondContact OD1-N 2.85Å; D160-L162 PolarHBondContact O-N 3.3Å; D160-K164 VanDerWaalsContact CG-CE 3.49Å; D160-K164 VanDerWaalsContact CG-NZ 3.31Å; D160-K164 WeakPolarHBondContact O-CG 3.15Å; D160-K164 PolarHBondContact O-N 3.44Å; D160-K164 VanDerWaalsContact O-N 3.14Å; D160-K164 WeakPolarHBondContact OD1-CE 3.26Å; D160-K164 IonicContact OD1-NZ 2.85Å; D160-K164 VanDerWaalsContact OD2-CE 3.31Å; D160-K164 WeakPolarHBondContact OD2-CE 3.19Å; D160-K164 IonicContact OD2-NZ 2.73Å; D160-K164 PolarHBondContact OD2-NZ 2.95Å; D160-R227 IonicContact OD1-CZ 3.84Å; D160-R227 IonicContact OD1-NH2 2.73Å; D160-R227 PolarHBondContact OD1-NH2 3.47Å; D160-R227 IonicContact OD2-CZ 3.69Å; D160-R227 VanDerWaalsContact OD2-CZ 3.23Å; D160-R227 IonicContact OD2-NH1 3.06Å; D160-R227 PolarHBondContact OD2-NH1 3.17Å; D160-R227 IonicContact OD2-NH2 2.74Å; D160-R227 PolarHBondContact OD2-NH2 3.48Å
161W87.3Confident88.1Confident41 Ų4146 Ų4616%0.15526%0.255CS..Hα-helixtrans-58.2-47.3175.1172.784.7000112.2Y54 L55 I58 Y156 D157 K164 R165Y54-W161 HydrophobicContact CE1-CH2 4.06Å; L55-W161 HydrophobicContact CD2-CH2 3.45Å; L55-W161 VanDerWaalsContact CD2-CH2 3.45Å; L55-W161 HydrophobicContact CD2-CZ2 3.74Å; L55-W161 HydrophobicContact CD2-CZ3 4.4Å; I58-W161 HydrophobicContact CD1-CH2 4.31Å; I58-W161 HydrophobicContact CD1-CZ2 3.83Å; Y156-W161 HydrophobicContact CE2-CB 4.09Å; Y156-W161 HydrophobicContact CE2-CG 4.2Å; D157-W161 WeakPolarHBondContact O-CB 2.8Å; D157-W161 PolarHBondContact O-N 3.27Å; W161-K164 PolarHBondContact O-N 3.07Å; W161-R165 WeakPolarHBondContact O-CB 3.38Å; W161-R165 PolarHBondContact O-N 3.3Å
162L89.6Confident88.5Confident6 Ų645.2 Ų45.23%0.03124%0.242CC..Hα-helixtrans-65.1-43.8-177.2-178.558.4000111.8L12 L15 K16 H158 S159 D160 R165 L166L12-L162 HydrophobicContact CD1-CD1 4Å; L12-L162 HydrophobicContact CD1-CD2 3.77Å; L12-L162 HydrophobicContact CD1-CG 3.99Å; L15-L162 HydrophobicContact CB-CD1 3.8Å; L15-L162 HydrophobicContact CB-CD2 4.26Å; L15-L162 HydrophobicContact CD1-CD1 3.78Å; L15-L162 HydrophobicContact CG-CD1 4.44Å; K16-L162 HydrophobicContact CG-CD2 3.68Å; H158-L162 VanDerWaalsContact O-CB 3.25Å; H158-L162 WeakPolarHBondContact O-CB 3.13Å; H158-L162 PolarHBondContact O-N 3.24Å; S159-L162 PolarHBondContact O-N 3.45Å; D160-L162 PolarHBondContact O-N 3.3Å; L162-R165 PolarHBondContact O-N 3.4Å; L162-L166 HydrophobicContact CG-CD1 4.43Å; L162-L166 WeakPolarHBondContact O-CG 3.41Å; L162-L166 PolarHBondContact O-N 3.34Å
163N89.2Confident88.7Confident100 Ų10048.4 Ų48.454%0.53525%0.253SS..Hα-helixtrans-59.8-48.4177.3-74.7-24.1000111.3S159 R165 L166 V167S159-N163 WeakPolarHBondContact O-CB 3.36Å; S159-N163 PolarHBondContact O-N 3.02Å; S159-N163 PolarHBondContact O-ND2 3.21Å; N163-R165 VanDerWaalsContact C-N 3.31Å; N163-R165 PolarHBondContact O-N 3.43Å; N163-L166 PolarHBondContact O-N 3.47Å; N163-V167 WeakPolarHBondContact O-CG2 3.29Å; N163-V167 PolarHBondContact O-N 2.88Å; N163-V167 VanDerWaalsContact O-N 3.07Å
164K86Confident89.1Confident30 Ų3046.8 Ų46.813%0.1324%0.24CC..Hα-helixtrans-61.9-40.7177.2-70.2-179.9-149.6143.30112.7D160 W161 L166 V167 F168 E223D160-K164 VanDerWaalsContact CG-CE 3.49Å; D160-K164 VanDerWaalsContact CG-NZ 3.31Å; D160-K164 WeakPolarHBondContact O-CG 3.15Å; D160-K164 PolarHBondContact O-N 3.44Å; D160-K164 VanDerWaalsContact O-N 3.14Å; D160-K164 WeakPolarHBondContact OD1-CE 3.26Å; D160-K164 IonicContact OD1-NZ 2.85Å; D160-K164 VanDerWaalsContact OD2-CE 3.31Å; D160-K164 WeakPolarHBondContact OD2-CE 3.19Å; D160-K164 IonicContact OD2-NZ 2.73Å; D160-K164 PolarHBondContact OD2-NZ 2.95Å; W161-K164 PolarHBondContact O-N 3.07Å; K164-L166 VanDerWaalsContact C-N 3.31Å; K164-L166 PolarHBondContact O-N 3.38Å; K164-V167 PolarHBondContact O-N 3.11Å; K164-F168 WeakPolarHBondContact O-CB 3.37Å; K164-F168 PolarHBondContact O-N 3.19Å; K164-E223 WeakPolarHBondContact CG-OE1 3.41Å
165R88.6Confident89.4Confident32 Ų3246.5 Ų46.512%0.12124%0.238CC..Hα-helixtrans-61.6-43.3179.8-176.158.4-177-168.97.6111.2A8 Y54 W161 L162 N163 F168 E169 E249A8-R165 HydrophobicContact CB-CG 4.31Å; Y54-R165 WeakPolarHBondContact OH-CG 3.4Å; Y54-R165 PolarHBondContact OH-NE 3.47Å; W161-R165 WeakPolarHBondContact O-CB 3.38Å; W161-R165 PolarHBondContact O-N 3.3Å; L162-R165 PolarHBondContact O-N 3.4Å; N163-R165 VanDerWaalsContact C-N 3.31Å; N163-R165 PolarHBondContact O-N 3.43Å; R165-F168 PolarHBondContact O-N 3.49Å; R165-E169 IonicContact CZ-OE1 3.05Å; R165-E169 IonicContact NE-OE1 3.05Å; R165-E169 PolarHBondContact NE-OE1 3.23Å; R165-E169 IonicContact NH2-OE1 3.64Å; R165-E169 PolarHBondContact NH2-OE1 2.96Å; R165-E169 WeakPolarHBondContact O-CB 3.4Å; R165-E169 WeakPolarHBondContact O-CG 3.49Å; R165-E169 PolarHBondContact O-N 3.14Å; R165-E249 IonicContact CZ-OE1 3.47Å; R165-E249 IonicContact NH1-OE1 3.03Å; R165-E249 PolarHBondContact NH1-OE1 3.43Å; R165-E249 IonicContact NH1-OE2 3.31Å; R165-E249 PolarHBondContact NH1-OE2 3.48Å; R165-E249 IonicContact NH2-OE1 2.71Å
166L90Very high89.8Confident40 Ų4043.5 Ų43.521%0.20922%0.224CC..Hα-helixtrans-61.2-45.9175-70.3166.8000112.1A8 L12 L162 N163 K164 K170A8-L166 HydrophobicContact CB-CD2 3.67Å; A8-L166 HydrophobicContact CB-CG 4.39Å; L12-L166 HydrophobicContact CD1-CD1 3.73Å; L12-L166 HydrophobicContact CD1-CD2 4.3Å; L12-L166 HydrophobicContact CD1-CG 4.45Å; L12-L166 HydrophobicContact CD2-CD1 4.11Å; L162-L166 HydrophobicContact CG-CD1 4.43Å; L162-L166 WeakPolarHBondContact O-CG 3.41Å; L162-L166 PolarHBondContact O-N 3.34Å; N163-L166 PolarHBondContact O-N 3.47Å; K164-L166 VanDerWaalsContact C-N 3.31Å; K164-L166 PolarHBondContact O-N 3.38Å; L166-K170 WeakPolarHBondContact O-CB 3.08Å; L166-K170 PolarHBondContact O-N 3.12Å
167V90.4Very high90.1Very high59 Ų5944 Ų4436%0.35823%0.232SC..Hα-helixtrans-64.2-43.3179.5178.20000110.8N163 K164 F171 L220N163-V167 WeakPolarHBondContact O-CG2 3.29Å; N163-V167 PolarHBondContact O-N 2.88Å; N163-V167 VanDerWaalsContact O-N 3.07Å; K164-V167 PolarHBondContact O-N 3.11Å; V167-F171 WeakPolarHBondContact O-CB 3.45Å; V167-F171 PolarHBondContact O-N 2.93Å; V167-L220 HydrophobicContact CG1-CB 4.43Å; V167-L220 HydrophobicContact CG1-CD1 4Å
168F90.1Very high90.3Very high20 Ų2040 Ų409%0.08821%0.211CC..Hα-helixtrans-64.4-47.8178.9177.2-94.9000113K164 R165 F171 T172 L220 A253 V257K164-F168 WeakPolarHBondContact O-CB 3.37Å; K164-F168 PolarHBondContact O-N 3.19Å; R165-F168 PolarHBondContact O-N 3.49Å; F168-F171 PolarHBondContact O-N 3.24Å; F168-T172 WeakPolarHBondContact O-CB 3.3Å; F168-T172 PolarHBondContact O-N 3.02Å; F168-T172 PolarHBondContact O-OG1 3.11Å; F168-L220 HydrophobicContact CB-CD2 4.41Å; F168-L220 HydrophobicContact CD2-CD2 4.16Å; F168-A253 HydrophobicContact CD2-CB 4.01Å; F168-A253 HydrophobicContact CE2-CB 3.49Å; F168-A253 VanDerWaalsContact CE2-CB 3.49Å; F168-A253 HydrophobicContact CZ-CB 4.03Å; F168-V257 HydrophobicContact CD2-CG2 4.01Å; F168-V257 HydrophobicContact CE2-CG2 3.81Å
169E90.4Very high90.5Very high33 Ų3340.8 Ų40.815%0.15422%0.216CC..Hα-helixtrans-64.8-44.2177.8-74.7-171.6173.100111.3A8 Y54 R165 F171 T172 M173A8-E169 WeakPolarHBondContact CB-OE2 3.21Å; A8-E169 PolarHBondContact N-OE2 3.08Å; Y54-E169 PolarHBondContact OH-OE1 3.44Å; R165-E169 IonicContact CZ-OE1 3.05Å; R165-E169 IonicContact NE-OE1 3.05Å; R165-E169 PolarHBondContact NE-OE1 3.23Å; R165-E169 IonicContact NH2-OE1 3.64Å; R165-E169 PolarHBondContact NH2-OE1 2.96Å; R165-E169 WeakPolarHBondContact O-CB 3.4Å; R165-E169 WeakPolarHBondContact O-CG 3.49Å; R165-E169 PolarHBondContact O-N 3.14Å; E169-F171 PolarHBondContact O-N 2.98Å; E169-T172 PolarHBondContact O-N 3.46Å; E169-M173 WeakPolarHBondContact O-CB 3.29Å; E169-M173 PolarHBondContact O-N 2.86Å
170K90.9Very high90.6Very high110 Ų11042.1 Ų42.148%0.47822%0.217SC..Hα-helixtrans-56.5-52.8175.9-178.5-174.5173.8-169.50111L166 T172 M173 E174L166-K170 WeakPolarHBondContact O-CB 3.08Å; L166-K170 PolarHBondContact O-N 3.12Å; K170-T172 VanDerWaalsContact C-N 3.31Å; K170-T172 PolarHBondContact O-N 3.31Å; K170-M173 PolarHBondContact O-N 2.91Å; K170-E174 VanDerWaalsContact CE-CD 3.48Å; K170-E174 WeakPolarHBondContact CE-OE1 3.46Å; K170-E174 HydrophobicContact CG-CG 4.4Å; K170-E174 IonicContact NZ-OE1 2.72Å; K170-E174 WeakPolarHBondContact O-CB 3.2Å; K170-E174 WeakPolarHBondContact O-CG 3.44Å; K170-E174 PolarHBondContact O-N 3.11Å
171F93.3Very high90.8Very high0 Ų042.6 Ų42.60%022%0.218CC..Hα-helixtrans-59.1-43.1178.7170-102000111.9V167 F168 E169 S175 V213 T216 G217 L220 V257 L260 L261V167-F171 WeakPolarHBondContact O-CB 3.45Å; V167-F171 PolarHBondContact O-N 2.93Å; F168-F171 PolarHBondContact O-N 3.24Å; E169-F171 PolarHBondContact O-N 2.98Å; F171-S175 WeakPolarHBondContact CD2-OG 3.25Å; F171-S175 WeakPolarHBondContact CE2-OG 3.15Å; F171-S175 WeakPolarHBondContact CZ-OG 3.31Å; F171-S175 WeakPolarHBondContact O-CB 3.37Å; F171-S175 PolarHBondContact O-N 3.36Å; F171-S175 PolarHBondContact O-OG 2.81Å; F171-V213 HydrophobicContact CD2-CG1 4.49Å; F171-V213 HydrophobicContact CE2-CG1 4.28Å; F171-V213 WeakPolarHBondContact CE2-O 3.46Å; F171-T216 HydrophobicContact CD2-CG2 4.44Å; F171-G217 VanDerWaalsContact CD2-CA 3.46Å; F171-L220 HydrophobicContact CB-CD2 3.76Å; F171-L220 HydrophobicContact CD1-CD2 3.71Å; F171-L220 HydrophobicContact CG-CD2 3.86Å; F171-V257 HydrophobicContact CD1-CG1 4.38Å; F171-V257 HydrophobicContact CD1-CG2 4.05Å; F171-V257 HydrophobicContact CE1-CB 4.14Å; F171-V257 HydrophobicContact CE1-CG1 3.75Å; F171-V257 HydrophobicContact CE1-CG2 3.97Å; F171-V257 HydrophobicContact CZ-CG1 4.23Å; F171-L260 HydrophobicContact CE1-CB 4.18Å; F171-L260 HydrophobicContact CE1-CD1 4.11Å; F171-L260 HydrophobicContact CZ-CB 4.3Å; F171-L261 HydrophobicContact CE2-CD2 4.35Å; F171-L261 HydrophobicContact CZ-CD2 4.14Å; F171-L261 HydrophobicContact CZ-CG 4.08Å
172T91.1Very high91Very high26 Ų2640.7 Ų40.716%0.1621%0.21CC..Hα-helixtrans-63.4-43.9-179.8-59.30000111.4F168 E169 K170 T176 L260F168-T172 WeakPolarHBondContact O-CB 3.3Å; F168-T172 PolarHBondContact O-N 3.02Å; F168-T172 PolarHBondContact O-OG1 3.11Å; E169-T172 PolarHBondContact O-N 3.46Å; K170-T172 VanDerWaalsContact C-N 3.31Å; K170-T172 PolarHBondContact O-N 3.31Å; T172-T176 WeakPolarHBondContact O-CB 3.42Å; T172-T176 VanDerWaalsContact O-CG2 3.31Å; T172-T176 WeakPolarHBondContact O-CG2 3.11Å; T172-T176 PolarHBondContact O-N 3.24Å; T172-T176 PolarHBondContact O-OG1 2.89Å; T172-L260 HydrophobicContact CG2-CD1 4.28Å
173M90.4Very high91Very high83 Ų8342.5 Ų42.541%0.40922%0.222SC..Hα-helixtrans-63.5-52.9176.8-178.2-160.764.900111.4E169 K170 S175 T176 S177E169-M173 WeakPolarHBondContact O-CB 3.29Å; E169-M173 PolarHBondContact O-N 2.86Å; K170-M173 PolarHBondContact O-N 2.91Å; M173-S175 VanDerWaalsContact C-N 3.32Å; M173-S175 PolarHBondContact O-N 3.34Å; M173-T176 PolarHBondContact O-N 3.37Å; M173-T176 PolarHBondContact O-OG1 3.08Å; M173-T176 VanDerWaalsContact O-OG1 3.09Å; M173-S177 WeakPolarHBondContact O-CB 3.37Å; M173-S177 PolarHBondContact O-N 3.04Å
174E93.2Very high90.9Very high25 Ų2543 Ų4312%0.11722%0.223CC..Hα-helixtrans-61.7-41.7-179.2-69177.9171.400111.2K170 L178 F208 V213K170-E174 VanDerWaalsContact CE-CD 3.48Å; K170-E174 WeakPolarHBondContact CE-OE1 3.46Å; K170-E174 HydrophobicContact CG-CG 4.4Å; K170-E174 IonicContact NZ-OE1 2.72Å; K170-E174 WeakPolarHBondContact O-CB 3.2Å; K170-E174 WeakPolarHBondContact O-CG 3.44Å; K170-E174 PolarHBondContact O-N 3.11Å; E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 3.45Å; E174-F208 HydrophobicContact CB-CE2 4.47Å; E174-F208 HydrophobicContact CG-CD1 4.25Å; E174-F208 HydrophobicContact CG-CE1 3.85Å; E174-F208 HydrophobicContact CG-CE2 4.35Å; E174-F208 HydrophobicContact CG-CZ 3.92Å; E174-V213 HydrophobicContact CB-CG1 4.43Å; E174-V213 HydrophobicContact CB-CG2 4.3Å
175S93.1Very high91Very high0 Ų041.8 Ų41.80%022%0.218CC..Hα-helixtrans-66-42.4179.2-63.70000113.3F171 M173 L179 L264F171-S175 WeakPolarHBondContact CD2-OG 3.25Å; F171-S175 WeakPolarHBondContact CE2-OG 3.15Å; F171-S175 WeakPolarHBondContact CZ-OG 3.31Å; F171-S175 WeakPolarHBondContact O-CB 3.37Å; F171-S175 PolarHBondContact O-N 3.36Å; F171-S175 PolarHBondContact O-OG 2.81Å; M173-S175 VanDerWaalsContact C-N 3.32Å; M173-S175 PolarHBondContact O-N 3.34Å; S175-L179 VanDerWaalsContact O-CB 3.24Å; S175-L179 WeakPolarHBondContact O-CB 3.26Å; S175-L179 PolarHBondContact O-N 2.94Å; S175-L264 WeakPolarHBondContact OG-CD1 3.4Å
176T92.1Very high90.9Very high58 Ų5841 Ų4136%0.35622%0.217SC..Hα-helixtrans-71.3-44.7-179.347.20000111.2T172 M173 L178 L179 D180 L260T172-T176 WeakPolarHBondContact O-CB 3.42Å; T172-T176 VanDerWaalsContact O-CG2 3.31Å; T172-T176 WeakPolarHBondContact O-CG2 3.11Å; T172-T176 PolarHBondContact O-N 3.24Å; T172-T176 PolarHBondContact O-OG1 2.89Å; M173-T176 PolarHBondContact O-N 3.37Å; M173-T176 PolarHBondContact O-OG1 3.08Å; M173-T176 VanDerWaalsContact O-OG1 3.09Å; T176-L178 VanDerWaalsContact C-N 3.35Å; T176-L178 PolarHBondContact O-N 3.45Å; T176-L179 PolarHBondContact O-N 2.82Å; T176-D180 PolarHBondContact O-N 2.92Å; T176-L260 HydrophobicContact CG2-CD2 4Å
177S92.6Very high90.6Very high43 Ų4343.3 Ų43.330%0.30123%0.229SC..Hα-helixtrans-56.8-48.5173.1-1680000111.5M173 L179 D180 E181M173-S177 WeakPolarHBondContact O-CB 3.37Å; M173-S177 PolarHBondContact O-N 3.04Å; S177-L179 VanDerWaalsContact C-N 3.35Å; S177-L179 PolarHBondContact O-N 2.75Å; S177-D180 PolarHBondContact O-N 3.03Å; S177-E181 WeakPolarHBondContact O-CG 3.33Å; S177-E181 PolarHBondContact O-N 2.86Å; S177-E181 VanDerWaalsContact O-N 3.08Å
178L93.6Very high89.8Confident0 Ų042.2 Ų42.20%022%0.224CC..Hα-helixtrans-64.4-38.8179.3179.262.2000112.1E174 T176 E181 L182 P206 P210 V213 L264E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 3.45Å; T176-L178 VanDerWaalsContact C-N 3.35Å; T176-L178 PolarHBondContact O-N 3.45Å; L178-E181 PolarHBondContact O-N 2.73Å; L178-L182 HydrophobicContact CD1-CD1 4.09Å; L178-L182 HydrophobicContact CD1-CD2 4.41Å; L178-L182 HydrophobicContact CD1-CG 3.92Å; L178-L182 HydrophobicContact CD2-CD1 4.43Å; L178-L182 HydrophobicContact CG-CD1 3.9Å; L178-L182 HydrophobicContact CG-CG 4.16Å; L178-L182 WeakPolarHBondContact O-CB 3.44Å; L178-L182 VanDerWaalsContact O-CG 3.25Å; L178-L182 WeakPolarHBondContact O-CG 3.47Å; L178-L182 PolarHBondContact O-N 3.33Å; L178-P206 HydrophobicContact CD1-CB 3.57Å; L178-P210 HydrophobicContact CD1-CG 4.27Å; L178-P210 HydrophobicContact CD2-CB 4.01Å; L178-P210 HydrophobicContact CD2-CG 4.28Å; L178-V213 HydrophobicContact CD2-CB 3.97Å; L178-V213 HydrophobicContact CD2-CG1 4.25Å; L178-V213 HydrophobicContact CD2-CG2 3.97Å; L178-L264 HydrophobicContact CB-CD2 4.19Å; L178-L264 HydrophobicContact CD2-CD2 3.87Å; L178-L264 HydrophobicContact CG-CD2 3.97Å
179L93.4Very high88.4Confident34 Ų3445 Ų4518%0.17824%0.237CC..Hα-helixtrans-64.6-40.7178.7-167.372.2000111.9S175 T176 S177 T183 L264 Q267S175-L179 VanDerWaalsContact O-CB 3.24Å; S175-L179 WeakPolarHBondContact O-CB 3.26Å; S175-L179 PolarHBondContact O-N 2.94Å; T176-L179 PolarHBondContact O-N 2.82Å; S177-L179 VanDerWaalsContact C-N 3.35Å; S177-L179 PolarHBondContact O-N 2.75Å; L179-T183 PolarHBondContact O-N 2.96Å; L179-T183 PolarHBondContact O-OG1 2.93Å; L179-L264 HydrophobicContact CB-CD2 4.14Å; L179-L264 HydrophobicContact CD1-CD2 4.11Å; L179-L264 HydrophobicContact CD1-CG 4.45Å; L179-Q267 HydrophobicContact CD1-CB 4.05Å; L179-Q267 HydrophobicContact CD1-CG 3.6Å
180D90.6Very high86.8Confident102 Ų10251 Ų5155%0.54526%0.263SS..Hα-helixtrans-64.8-41176.4-71.6-14.6000111.2T176 S177 T183 I184T176-D180 PolarHBondContact O-N 2.92Å; S177-D180 PolarHBondContact O-N 3.03Å; D180-T183 WeakPolarHBondContact CA-OG1 3.5Å; D180-T183 PolarHBondContact O-OG1 3.5Å; D180-I184 WeakPolarHBondContact O-CD1 3.27Å; D180-I184 VanDerWaalsContact O-CG1 3.3Å; D180-I184 WeakPolarHBondContact O-CG1 3.13Å; D180-I184 PolarHBondContact O-N 2.8Å
181E91.2Very high84.8Confident53 Ų5350 Ų5025%0.24827%0.27CS..Hα-helixtrans-67.6-47.6175.5-71.8176.9-162.400112.4S177 L178 T183 I184 I185 P206 S207S177-E181 WeakPolarHBondContact O-CG 3.33Å; S177-E181 PolarHBondContact O-N 2.86Å; S177-E181 VanDerWaalsContact O-N 3.08Å; L178-E181 PolarHBondContact O-N 2.73Å; E181-T183 VanDerWaalsContact C-N 3.27Å; E181-T183 PolarHBondContact O-N 3.18Å; E181-I184 PolarHBondContact O-N 2.97Å; E181-I185 VanDerWaalsContact O-CG1 3.29Å; E181-I185 WeakPolarHBondContact O-CG1 3.35Å; E181-I185 PolarHBondContact O-N 3.04Å; E181-P206 WeakPolarHBondContact OE2-CA 3.4Å; E181-S207 WeakPolarHBondContact OE1-CB 3.36Å; E181-S207 PolarHBondContact OE1-OG 3.43Å; E181-S207 VanDerWaalsContact OE1-OG 3.07Å; E181-S207 WeakPolarHBondContact OE2-CB 3.34Å; E181-S207 PolarHBondContact OE2-N 3.48Å; E181-S207 PolarHBondContact OE2-OG 2.94Å
182L91Very high82.8Confident0 Ų053.5 Ų53.50%030%0.298CS..Hα-helixtrans-62.2-35.6179.4-71.5178.2000111.6L178 I185 N186 P206 Q267 Y271L178-L182 HydrophobicContact CD1-CD1 4.09Å; L178-L182 HydrophobicContact CD1-CD2 4.41Å; L178-L182 HydrophobicContact CD1-CG 3.92Å; L178-L182 HydrophobicContact CD2-CD1 4.43Å; L178-L182 HydrophobicContact CG-CD1 3.9Å; L178-L182 HydrophobicContact CG-CG 4.16Å; L178-L182 WeakPolarHBondContact O-CB 3.44Å; L178-L182 VanDerWaalsContact O-CG 3.25Å; L178-L182 WeakPolarHBondContact O-CG 3.47Å; L178-L182 PolarHBondContact O-N 3.33Å; L182-I185 PolarHBondContact O-N 2.81Å; L182-N186 WeakPolarHBondContact O-CB 3.31Å; L182-N186 PolarHBondContact O-N 3.01Å; L182-N186 PolarHBondContact O-ND2 3.38Å; L182-N186 VanDerWaalsContact O-ND2 3.14Å; L182-P206 HydrophobicContact CD2-CB 4.48Å; L182-Q267 HydrophobicContact CB-CB 4.04Å; L182-Q267 HydrophobicContact CD1-CB 4.22Å; L182-Y271 HydrophobicContact CD2-CD1 4.26Å; L182-Y271 HydrophobicContact CD2-CD2 3.94Å; L182-Y271 HydrophobicContact CD2-CG 3.75Å
183T89.4Confident80.5Confident44 Ų4457 Ų5727%0.2732%0.324SS..Hα-helixtrans-65.3-44174.635.10000112L179 D180 E181 N186 D187 Q267L179-T183 PolarHBondContact O-N 2.96Å; L179-T183 PolarHBondContact O-OG1 2.93Å; D180-T183 WeakPolarHBondContact CA-OG1 3.5Å; D180-T183 PolarHBondContact O-OG1 3.5Å; E181-T183 VanDerWaalsContact C-N 3.27Å; E181-T183 PolarHBondContact O-N 3.18Å; T183-N186 PolarHBondContact O-N 2.71Å; T183-D187 WeakPolarHBondContact O-CB 3.49Å; T183-D187 PolarHBondContact O-N 2.87Å; T183-Q267 HydrophobicContact CG2-CG 4.21Å
184I88.1Confident78.3Confident110 Ų11058.6 Ų58.656%0.56434%0.338SS*.Hα-helixtrans-60.5-47.6175.1-66.3164.4000111D180 E181 N186 D187 S188D180-I184 WeakPolarHBondContact O-CD1 3.27Å; D180-I184 VanDerWaalsContact O-CG1 3.3Å; D180-I184 WeakPolarHBondContact O-CG1 3.13Å; D180-I184 PolarHBondContact O-N 2.8Å; E181-I184 PolarHBondContact O-N 2.97Å; I184-N186 VanDerWaalsContact C-N 3.34Å; I184-N186 PolarHBondContact O-N 3.43Å; I184-D187 PolarHBondContact O-N 3.17Å; I184-S188 PolarHBondContact O-N 2.83Å; I184-S188 VanDerWaalsContact O-N 3.1Å
185I86.9Confident75.6Confident6 Ų664.2 Ų64.23%0.03137%0.369CS..Hα-helixtrans-61.6-45.5179.5-65.4163.5000110E181 L182 D187 S188 L204 Y271E181-I185 VanDerWaalsContact O-CG1 3.29Å; E181-I185 WeakPolarHBondContact O-CG1 3.35Å; E181-I185 PolarHBondContact O-N 3.04Å; L182-I185 PolarHBondContact O-N 2.81Å; I185-D187 PolarHBondContact O-N 3.32Å; I185-S188 WeakPolarHBondContact O-CB 3.5Å; I185-S188 PolarHBondContact O-N 2.66Å; I185-S188 PolarHBondContact O-OG 2.82Å; I185-L204 HydrophobicContact CD1-CB 4.32Å; I185-L204 WeakPolarHBondContact CD1-O 3.18Å; I185-L204 HydrophobicContact CG1-CB 3.85Å; I185-Y271 HydrophobicContact CD1-CE2 4.5Å; I185-Y271 HydrophobicContact CG2-CD2 3.81Å; I185-Y271 HydrophobicContact CG2-CE2 4.02Å
186N87Confident73.2Confident16 Ų1674.3 Ų74.39%0.08641%0.413CS..Hα-helixtrans-68-34.5-177.6-70.4-20000113.2L182 T183 I184 Q267 K270 Y271 L274L182-N186 WeakPolarHBondContact O-CB 3.31Å; L182-N186 PolarHBondContact O-N 3.01Å; L182-N186 PolarHBondContact O-ND2 3.38Å; L182-N186 VanDerWaalsContact O-ND2 3.14Å; T183-N186 PolarHBondContact O-N 2.71Å; I184-N186 VanDerWaalsContact C-N 3.34Å; I184-N186 PolarHBondContact O-N 3.43Å; N186-Q267 PolarHBondContact ND2-O 3.44Å; N186-Q267 PolarHBondContact ND2-OE1 2.92Å; N186-K270 WeakPolarHBondContact ND2-CB 3.34Å; N186-Y271 VanDerWaalsContact OD1-CA 3.24Å; N186-Y271 WeakPolarHBondContact OD1-CA 3.35Å; N186-Y271 PolarHBondContact OD1-N 2.83Å; N186-L274 HydrophobicContact CB-CD1 4.16Å; N186-L274 VanDerWaalsContact OD1-CD1 3.29Å; N186-L274 WeakPolarHBondContact OD1-CD1 3.41Å
187D83Confident70.7Confident87 Ų8778.7 Ų78.747%0.46543%0.434SS..Hα-helixtrans-81.6-17.3179.1-78.1-32.6000113.4T183 I184 I185 E189 K190T183-D187 WeakPolarHBondContact O-CB 3.49Å; T183-D187 PolarHBondContact O-N 2.87Å; I184-D187 PolarHBondContact O-N 3.17Å; I185-D187 PolarHBondContact O-N 3.32Å; D187-E189 PolarHBondContact O-N 2.81Å; D187-K190 PolarHBondContact O-N 2.83Å; D187-K190 VanDerWaalsContact O-N 3.15Å; D187-K190 IonicContact OD1-NZ 3.52Å
188S73.8Confident68Low36 Ų3685.8 Ų85.825%0.25246%0.46SS..Hα-helixtrans-56.9-32.4179.470.60000113.3I184 I185 K190 S191 A192I184-S188 PolarHBondContact O-N 2.83Å; I184-S188 VanDerWaalsContact O-N 3.1Å; I185-S188 WeakPolarHBondContact O-CB 3.5Å; I185-S188 PolarHBondContact O-N 2.66Å; I185-S188 PolarHBondContact O-OG 2.82Å; S188-K190 PolarHBondContact O-N 3.23Å; S188-S191 PolarHBondContact O-N 3.34Å; S188-S191 PolarHBondContact O-OG 3.24Å; S188-A192 PolarHBondContact O-N 2.86Å
189E61.7Low65.6Low78 Ų7891.4 Ų91.436%0.36450%0.499SS..Hα-helixtrans-68.4-33.4178.6-102.2-152.717200114.3D187 S191 A192 L274D187-E189 PolarHBondContact O-N 2.81Å; E189-S191 PolarHBondContact O-N 3.3Å; E189-A192 PolarHBondContact O-N 3.26Å; E189-L274 HydrophobicContact CB-CD2 4.17Å; E189-L274 HydrophobicContact CG-CD2 3.74Å; E189-L274 WeakPolarHBondContact OE2-CD2 3.48Å
190K55.8Low63.1Low160 Ų16096.1 Ų96.170%0.69653%0.529SS*.Hα-helixtrans-63.4-29.8179.8-75.8176.6-175.5155.70112D187 S188 S193D187-K190 PolarHBondContact O-N 2.83Å; D187-K190 VanDerWaalsContact O-N 3.15Å; D187-K190 IonicContact OD1-NZ 3.52Å; S188-K190 PolarHBondContact O-N 3.23Å; K190-S193 PolarHBondContact O-OG 3.4Å
191S48.8Very low60.7Low90 Ų9099 Ų9963%0.62955%0.545SS*.Hα-helixtrans-87-19.3-179.366.50000114.5S188 E189 S193S188-S191 PolarHBondContact O-N 3.34Å; S188-S191 PolarHBondContact O-OG 3.24Å; E189-S191 PolarHBondContact O-N 3.3Å; S191-S193 PolarHBondContact O-N 3.45Å
192A51.4Low58.6Low72 Ų7299.1 Ų99.160%0.59556%0.561SS**THydrogen-bonded Turntrans-77.1-2.1-177.700000114S188 E189 V194S188-A192 PolarHBondContact O-N 2.86Å; E189-A192 PolarHBondContact O-N 3.26Å; A192-V194 VanDerWaalsContact C-N 3.26Å; A192-V194 PolarHBondContact O-N 3.21Å
193S44.3Very low57.1Low101 Ų101102.4 Ų102.471%0.70659%0.587SS**THydrogen-bonded Turntrans-75.9-4.1179.658.60000114.8K190 S191K190-S193 PolarHBondContact O-OG 3.4Å; S191-S193 PolarHBondContact O-N 3.45Å
194V42.9Very low56.2Low115 Ų115105.2 Ų105.270%0.69760%0.6SS**SBendtrans-114.1-26.4-170.3-175.20000115.4A192A192-V194 VanDerWaalsContact C-N 3.26Å; A192-V194 PolarHBondContact O-N 3.21Å
195D37.7Very low55.8Low144 Ų144106.2 Ų106.277%0.7761%0.606SS**  trans-132.6107.8-176.9-81.5-45.5000112.3D197D195-D197 PolarHBondContact O-N 3.49Å
196K42.8Very low55.8Low211 Ų211107 Ų10792%0.91761%0.612SS**  trans-797-177.8-110.2-176.6179.7-176.80114.7
197D38.3Very low55.7Low150 Ų150109.6 Ų109.680%0.80263%0.631SS**  trans-138.571-163.8-139.29.8000112D195D195-D197 PolarHBondContact O-N 3.49Å
198K37.1Very low55.9Low192 Ų192108.3 Ų108.384%0.83562%0.621SS**  trans-172.6120.6152.8-105.6157.6-172.5177.50111.6T200K198-T200 PolarHBondContact O-N 3.15Å
199S43.4Very low56.7Low119 Ų119110.4 Ų110.483%0.83263%0.63SS**  trans-60.698166.659.60000110.7
200T39.7Very low58.1Low132 Ų132107 Ų10781%0.8161%0.614SS**  trans-11966157.250.20000107.7K198 G202K198-T200 PolarHBondContact O-N 3.15Å; T200-G202 PolarHBondContact O-N 3.18Å; T200-G202 VanDerWaalsContact O-N 3.11Å
201D40.3Very low59.9Low163 Ų163104.7 Ų104.787%0.87261%0.606SS**  trans-86.273.8177.1-155.215.3000108.9
202G47.8Very low62Low56 Ų56104.3 Ų104.358%0.57760%0.6SS**  trans-120.194.3160.400000105.5T200 L204T200-G202 PolarHBondContact O-N 3.18Å; T200-G202 VanDerWaalsContact O-N 3.11Å; G202-L204 PolarHBondContact O-N 2.64Å
203A58.3Low64Low68 Ų68101 Ų10156%0.56257%0.572SS**  trans-51.4107.2172.700000108L205A203-L205 VanDerWaalsContact C-N 3.32Å; A203-L205 PolarHBondContact O-N 3.37Å
204L70.4Confident66.3Low103 Ų10397 Ų9754%0.53954%0.543SS..  trans-67.297.2176.3-70.8167.9000106.6I185 G202I185-L204 HydrophobicContact CD1-CB 4.32Å; I185-L204 WeakPolarHBondContact CD1-O 3.18Å; I185-L204 HydrophobicContact CG1-CB 3.85Å; G202-L204 PolarHBondContact O-N 2.64Å
205L80.6Confident68.7Low132 Ų13296.3 Ų96.369%0.69153%0.532SS*.  trans-86.5137.8173-68.4173.3000108.4A203A203-L205 VanDerWaalsContact C-N 3.32Å; A203-L205 PolarHBondContact O-N 3.37Å
206P86.9Confident71.3Confident23 Ų2390.9 Ų90.915%0.14950%0.504CS..  trans-63.4146.4175.826.6-32.7000110.8L178 E181 L182 F208 P210L178-P206 HydrophobicContact CD1-CB 3.57Å; E181-P206 WeakPolarHBondContact OE2-CA 3.4Å; L182-P206 HydrophobicContact CD2-CB 4.48Å; P206-F208 PolarHBondContact O-N 3.1Å; P206-P210 HydrophobicContact CG-CG 4.25Å
207S84.9Confident73.7Confident70 Ų7080.8 Ų80.849%0.4946%0.46SS..SBendtrans-67.7-26.7-178.872.20000113E181E181-S207 WeakPolarHBondContact OE1-CB 3.36Å; E181-S207 PolarHBondContact OE1-OG 3.43Å; E181-S207 VanDerWaalsContact OE1-OG 3.07Å; E181-S207 WeakPolarHBondContact OE2-CB 3.34Å; E181-S207 PolarHBondContact OE2-N 3.48Å; E181-S207 PolarHBondContact OE2-OG 2.94Å
208F87.9Confident76.3Confident60 Ų6076.5 Ų76.526%0.26344%0.435SS..SBendtrans-118.4145.4176.3-59.2-74.3000109.8E174 P206 P210 V213E174-F208 HydrophobicContact CB-CE2 4.47Å; E174-F208 HydrophobicContact CG-CD1 4.25Å; E174-F208 HydrophobicContact CG-CE1 3.85Å; E174-F208 HydrophobicContact CG-CE2 4.35Å; E174-F208 HydrophobicContact CG-CZ 3.92Å; P206-F208 PolarHBondContact O-N 3.1Å; F208-P210 VanDerWaalsContact O-CD 3.26Å; F208-P210 WeakPolarHBondContact O-CD 3.37Å; F208-V213 HydrophobicContact CB-CG2 3.72Å; F208-V213 HydrophobicContact CG-CG2 4.37Å
209D90.1Very high78.9Confident79 Ų7972.7 Ų72.742%0.42242%0.42SS..  trans-68.4117.5169.9171.247000109.8E211 T212 V213D209-E211 VanDerWaalsContact C-N 3.25Å; D209-E211 PolarHBondContact O-N 2.9Å; D209-T212 PolarHBondContact O-N 3.48Å; D209-T212 WeakPolarHBondContact OD2-CB 3.36Å; D209-T212 PolarHBondContact OD2-N 3.36Å; D209-T212 PolarHBondContact OD2-OG1 3.49Å; D209-V213 PolarHBondContact O-N 3.22Å; D209-V213 VanDerWaalsContact O-N 3.12Å
210P91.4Very high81.2Confident7 Ų767.2 Ų67.25%0.04538%0.382CS..Hα-helixtrans-60.5-33.2-176.4-23.733.8000113.8L178 P206 F208 V213 L214 Y268L178-P210 HydrophobicContact CD1-CG 4.27Å; L178-P210 HydrophobicContact CD2-CB 4.01Å; L178-P210 HydrophobicContact CD2-CG 4.28Å; P206-P210 HydrophobicContact CG-CG 4.25Å; F208-P210 VanDerWaalsContact O-CD 3.26Å; F208-P210 WeakPolarHBondContact O-CD 3.37Å; P210-V213 PolarHBondContact O-N 3.18Å; P210-L214 VanDerWaalsContact O-CB 3.32Å; P210-L214 WeakPolarHBondContact O-CB 3.24Å; P210-L214 WeakPolarHBondContact O-CG 3.48Å; P210-L214 PolarHBondContact O-N 2.73Å; P210-Y268 HydrophobicContact CB-CD1 4.44Å; P210-Y268 HydrophobicContact CB-CD2 3.32Å; P210-Y268 HydrophobicContact CB-CE2 3.48Å; P210-Y268 VanDerWaalsContact CB-CE2 3.48Å; P210-Y268 HydrophobicContact CB-CG 3.86Å; P210-Y268 HydrophobicContact CG-CD2 3.64Å; P210-Y268 HydrophobicContact CG-CE2 3.65Å
211E92.6Very high83.6Confident112 Ų11262 Ų6252%0.52335%0.349SS..Hα-helixtrans-66.9-43.6178.2-64.7-171.5173.200111.3D209 L214 Q215 Y268D209-E211 VanDerWaalsContact C-N 3.25Å; D209-E211 PolarHBondContact O-N 2.9Å; E211-L214 PolarHBondContact O-N 3.33Å; E211-Q215 VanDerWaalsContact O-CB 3.29Å; E211-Q215 WeakPolarHBondContact O-CB 3.43Å; E211-Q215 PolarHBondContact O-N 3.4Å; E211-Y268 HydrophobicContact CG-CE1 4.05Å; E211-Y268 WeakPolarHBondContact CG-OH 3.13Å; E211-Y268 PolarHBondContact OE1-OH 2.98Å
212T93.3Very high85.9Confident81 Ų8156.7 Ų56.750%0.49733%0.325SS..Hα-helixtrans-61.4-43.7175.8-60.80000112.3D209 Q215 T216D209-T212 PolarHBondContact O-N 3.48Å; D209-T212 WeakPolarHBondContact OD2-CB 3.36Å; D209-T212 PolarHBondContact OD2-N 3.36Å; D209-T212 PolarHBondContact OD2-OG1 3.49Å; T212-Q215 PolarHBondContact O-N 2.86Å; T212-T216 WeakPolarHBondContact O-CB 3.32Å; T212-T216 PolarHBondContact O-N 3.47Å; T212-T216 PolarHBondContact O-OG1 3.34Å
213V93.4Very high87.8Confident2 Ų257.3 Ų57.31%0.01231%0.313CS..Hα-helixtrans-67.2-43.6178.7178.70000110.8F171 E174 L178 F208 D209 P210 Q215 T216 G217 L264F171-V213 HydrophobicContact CD2-CG1 4.49Å; F171-V213 HydrophobicContact CE2-CG1 4.28Å; F171-V213 WeakPolarHBondContact CE2-O 3.46Å; E174-V213 HydrophobicContact CB-CG1 4.43Å; E174-V213 HydrophobicContact CB-CG2 4.3Å; L178-V213 HydrophobicContact CD2-CB 3.97Å; L178-V213 HydrophobicContact CD2-CG1 4.25Å; L178-V213 HydrophobicContact CD2-CG2 3.97Å; F208-V213 HydrophobicContact CB-CG2 3.72Å; F208-V213 HydrophobicContact CG-CG2 4.37Å; D209-V213 PolarHBondContact O-N 3.22Å; D209-V213 VanDerWaalsContact O-N 3.12Å; P210-V213 PolarHBondContact O-N 3.18Å; V213-Q215 PolarHBondContact O-N 2.97Å; V213-T216 PolarHBondContact O-N 3.14Å; V213-G217 PolarHBondContact O-N 2.86Å; V213-L264 HydrophobicContact CG1-CD1 3.92Å
214L93.1Very high88.9Confident19 Ų1955.3 Ų55.310%0.09929%0.292CS..Hα-helixtrans-58.9-47.1173.9-75.8170.9000110.9P210 E211 T216 G217 H218 L261 L264 R265 Y268P210-L214 VanDerWaalsContact O-CB 3.32Å; P210-L214 WeakPolarHBondContact O-CB 3.24Å; P210-L214 WeakPolarHBondContact O-CG 3.48Å; P210-L214 PolarHBondContact O-N 2.73Å; E211-L214 PolarHBondContact O-N 3.33Å; L214-T216 PolarHBondContact O-N 2.91Å; L214-G217 PolarHBondContact O-N 3.05Å; L214-H218 PolarHBondContact O-CE1 3.36Å; L214-H218 PolarHBondContact O-N 3.49Å; L214-H218 PolarHBondContact O-ND1 2.84Å; L214-L261 HydrophobicContact CD2-CD2 3.82Å; L214-L264 HydrophobicContact CD2-CB 3.85Å; L214-L264 HydrophobicContact CD2-CD1 4.47Å; L214-R265 HydrophobicContact CD1-CG 4.47Å; L214-R265 HydrophobicContact CD2-CG 3.75Å; L214-Y268 HydrophobicContact CD1-CD1 3.87Å; L214-Y268 HydrophobicContact CD1-CE1 4.42Å; L214-Y268 HydrophobicContact CD1-CG 4.48Å
215Q93.5Very high89.5Confident100 Ų10054.7 Ų54.747%0.46729%0.286SS..Hα-helixtrans-59-47.8178.7-178.357.931.700111.6E211 T212 V213 G217 H218 E219E211-Q215 VanDerWaalsContact O-CB 3.29Å; E211-Q215 WeakPolarHBondContact O-CB 3.43Å; E211-Q215 PolarHBondContact O-N 3.4Å; T212-Q215 PolarHBondContact O-N 2.86Å; V213-Q215 PolarHBondContact O-N 2.97Å; Q215-G217 VanDerWaalsContact C-N 3.26Å; Q215-G217 PolarHBondContact O-N 3.29Å; Q215-H218 PolarHBondContact O-N 3.3Å; Q215-H218 VanDerWaalsContact O-N 3.11Å; Q215-E219 PolarHBondContact NE2-OE1 2.95Å; Q215-E219 WeakPolarHBondContact O-CG 3.47Å; Q215-E219 PolarHBondContact O-N 3Å
216T92.5Very high89.3Confident29 Ų2954.1 Ų54.118%0.17828%0.28CS..Hα-helixtrans-56.5-41.7175.5-560000111.4F171 T212 V213 L214 E219 L220F171-T216 HydrophobicContact CD2-CG2 4.44Å; T212-T216 WeakPolarHBondContact O-CB 3.32Å; T212-T216 PolarHBondContact O-N 3.47Å; T212-T216 PolarHBondContact O-OG1 3.34Å; V213-T216 PolarHBondContact O-N 3.14Å; L214-T216 PolarHBondContact O-N 2.91Å; T216-E219 PolarHBondContact O-N 3.25Å; T216-L220 WeakPolarHBondContact O-CB 3.3Å; T216-L220 PolarHBondContact O-N 2.88Å
217G92.6Very high88.3Confident0 Ų057.1 Ų57.10%029%0.289CS..Hα-helixtrans-66.8-37.9176.400000114F171 V213 L214 Q215 L221F171-G217 VanDerWaalsContact CD2-CA 3.46Å; V213-G217 PolarHBondContact O-N 2.86Å; L214-G217 PolarHBondContact O-N 3.05Å; Q215-G217 VanDerWaalsContact C-N 3.26Å; Q215-G217 PolarHBondContact O-N 3.29Å; G217-L221 VanDerWaalsContact O-CB 3.25Å; G217-L221 WeakPolarHBondContact O-CB 3.19Å; G217-L221 PolarHBondContact O-N 3.38Å
218H92.8Very high87.2Confident59 Ų5959.5 Ų59.527%0.27329%0.287SS..Hα-helixtrans-66.6-41175.4-68.6101.2000112.1L214 Q215 L221 S222 R265L214-H218 PolarHBondContact O-CE1 3.36Å; L214-H218 PolarHBondContact O-N 3.49Å; L214-H218 PolarHBondContact O-ND1 2.84Å; Q215-H218 PolarHBondContact O-N 3.3Å; Q215-H218 VanDerWaalsContact O-N 3.11Å; H218-L221 PolarHBondContact O-N 3.48Å; H218-S222 WeakPolarHBondContact O-CB 3.28Å; H218-S222 PolarHBondContact O-N 2.97Å; H218-R265 PolarHBondContact CE1-NH2 3.07Å; H218-R265 PolarHBondContact NE2-NH2 3.26Å
219E92.6Very high85.6Confident112 Ų11263.4 Ų63.452%0.52330%0.304SS..Hα-helixtrans-61.8-49175.6-71.9172.7-167.800110.9Q215 T216 L221 S222 E223Q215-E219 PolarHBondContact NE2-OE1 2.95Å; Q215-E219 WeakPolarHBondContact O-CG 3.47Å; Q215-E219 PolarHBondContact O-N 3Å; T216-E219 PolarHBondContact O-N 3.25Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-L221 PolarHBondContact O-N 3.37Å; E219-S222 WeakPolarHBondContact O-CB 3.25Å; E219-S222 PolarHBondContact O-N 2.62Å; E219-E223 PolarHBondContact O-N 3.49Å
220L90.8Very high83.8Confident4 Ų466.7 Ų66.72%0.02132%0.321CS..Hα-helixtrans-59.2-43.7175.1176.960.5000112V167 F168 F171 T216 S222 E223 L224 V257V167-L220 HydrophobicContact CG1-CB 4.43Å; V167-L220 HydrophobicContact CG1-CD1 4Å; F168-L220 HydrophobicContact CB-CD2 4.41Å; F168-L220 HydrophobicContact CD2-CD2 4.16Å; F171-L220 HydrophobicContact CB-CD2 3.76Å; F171-L220 HydrophobicContact CD1-CD2 3.71Å; F171-L220 HydrophobicContact CG-CD2 3.86Å; T216-L220 WeakPolarHBondContact O-CB 3.3Å; T216-L220 PolarHBondContact O-N 2.88Å; L220-S222 VanDerWaalsContact C-N 3.35Å; L220-S222 PolarHBondContact O-N 3.19Å; L220-E223 PolarHBondContact O-N 3.12Å; L220-L224 HydrophobicContact CD1-CD1 4.25Å; L220-L224 HydrophobicContact CD1-CG 4.33Å; L220-L224 HydrophobicContact CG-CD1 4.16Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.2Å; L220-L224 PolarHBondContact O-N 3.4Å; L220-V257 HydrophobicContact CD2-CG2 3.77Å; L220-V257 HydrophobicContact CG-CG2 4.29Å
221L90.1Very high81.8Confident23 Ų2368.7 Ų68.712%0.1234%0.344CS..Hα-helixtrans-63.8-40.2177.5-176.762.2000111.9G217 H218 E219 L224 Q225 Q254 V257 L261G217-L221 VanDerWaalsContact O-CB 3.25Å; G217-L221 WeakPolarHBondContact O-CB 3.19Å; G217-L221 PolarHBondContact O-N 3.38Å; H218-L221 PolarHBondContact O-N 3.48Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-L221 PolarHBondContact O-N 3.37Å; L221-L224 PolarHBondContact O-N 2.83Å; L221-Q225 HydrophobicContact CD1-CG 4.4Å; L221-Q225 WeakPolarHBondContact O-CB 3.49Å; L221-Q225 VanDerWaalsContact O-CG 3.25Å; L221-Q225 WeakPolarHBondContact O-CG 3.14Å; L221-Q225 PolarHBondContact O-N 2.95Å; L221-Q254 HydrophobicContact CD1-CG 3.77Å; L221-V257 HydrophobicContact CB-CG1 4.02Å; L221-V257 HydrophobicContact CD1-CG1 4.38Å; L221-L261 HydrophobicContact CB-CD1 4.36Å; L221-L261 HydrophobicContact CD2-CD1 3.95Å
222S89.4Confident79.5Confident52 Ų5268.1 Ų68.136%0.36435%0.352SS..Hα-helixtrans-62.4-44.4176.6-165.50000111.2H218 E219 L220 Q225 Q226H218-S222 WeakPolarHBondContact O-CB 3.28Å; H218-S222 PolarHBondContact O-N 2.97Å; E219-S222 WeakPolarHBondContact O-CB 3.25Å; E219-S222 PolarHBondContact O-N 2.62Å; L220-S222 VanDerWaalsContact C-N 3.35Å; L220-S222 PolarHBondContact O-N 3.19Å; S222-Q225 PolarHBondContact O-N 3.48Å; S222-Q226 WeakPolarHBondContact O-CG 2.98Å; S222-Q226 PolarHBondContact O-N 3.31Å
223E85.7Confident77Confident69 Ų6971.8 Ų71.832%0.32236%0.364SS..Hα-helixtrans-62-44.6176.9-166.8-176.7164.400111.8K164 E219 L220 Q225 R227K164-E223 WeakPolarHBondContact CG-OE1 3.41Å; E219-E223 PolarHBondContact O-N 3.49Å; L220-E223 PolarHBondContact O-N 3.12Å; E223-Q225 VanDerWaalsContact C-N 3.32Å; E223-Q225 PolarHBondContact O-N 3.39Å; E223-R227 VanDerWaalsContact O-CG 3.3Å; E223-R227 WeakPolarHBondContact O-CG 3.32Å; E223-R227 PolarHBondContact O-N 2.93Å
224L83.4Confident74.5Confident26 Ų2675.4 Ų75.414%0.13640%0.401CS..Hα-helixtrans-63.8-34.6176.5-70.1172.3000112.5L220 L221 A253 V257L220-L224 HydrophobicContact CD1-CD1 4.25Å; L220-L224 HydrophobicContact CD1-CG 4.33Å; L220-L224 HydrophobicContact CG-CD1 4.16Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.2Å; L220-L224 PolarHBondContact O-N 3.4Å; L221-L224 PolarHBondContact O-N 2.83Å; L224-A253 HydrophobicContact CD1-CB 4.22Å; L224-A253 HydrophobicContact CD2-CB 4.45Å; L224-V257 HydrophobicContact CD1-CG2 4.15Å
225Q81.9Confident72.3Confident89 Ų8978.9 Ų78.942%0.41644%0.442SS..Hα-helixtrans-75.4-41.8178.7-75.8175.7-7.200113L221 S222 E223 R227 R228L221-Q225 HydrophobicContact CD1-CG 4.4Å; L221-Q225 WeakPolarHBondContact O-CB 3.49Å; L221-Q225 VanDerWaalsContact O-CG 3.25Å; L221-Q225 WeakPolarHBondContact O-CG 3.14Å; L221-Q225 PolarHBondContact O-N 2.95Å; S222-Q225 PolarHBondContact O-N 3.48Å; E223-Q225 VanDerWaalsContact C-N 3.32Å; E223-Q225 PolarHBondContact O-N 3.39Å; Q225-R227 PolarHBondContact O-N 2.87Å; Q225-R228 PolarHBondContact O-N 3.01Å
226Q77.1Confident69.8Low121 Ų12177.9 Ų77.957%0.56546%0.458SS*.Hα-helixtrans-60.2-35.2178-74.8178.314.600112.1S222 R228 F229 N230S222-Q226 WeakPolarHBondContact O-CG 2.98Å; S222-Q226 PolarHBondContact O-N 3.31Å; Q226-R228 PolarHBondContact O-N 3.01Å; Q226-F229 PolarHBondContact O-N 3.11Å; Q226-N230 PolarHBondContact O-N 3.38Å; Q226-N230 VanDerWaalsContact O-N 3.08Å
227R66.3Low67.3Low86 Ų8680.4 Ų80.433%0.32549%0.49SS..Hα-helixtrans-62.3-37.7177.7-71.1-91.8175.3167.9-2.4113.4D160 E223 Q225D160-R227 IonicContact OD1-CZ 3.84Å; D160-R227 IonicContact OD1-NH2 2.73Å; D160-R227 PolarHBondContact OD1-NH2 3.47Å; D160-R227 IonicContact OD2-CZ 3.69Å; D160-R227 VanDerWaalsContact OD2-CZ 3.23Å; D160-R227 IonicContact OD2-NH1 3.06Å; D160-R227 PolarHBondContact OD2-NH1 3.17Å; D160-R227 IonicContact OD2-NH2 2.74Å; D160-R227 PolarHBondContact OD2-NH2 3.48Å; E223-R227 VanDerWaalsContact O-CG 3.3Å; E223-R227 WeakPolarHBondContact O-CG 3.32Å; E223-R227 PolarHBondContact O-N 2.93Å; Q225-R227 PolarHBondContact O-N 2.87Å
228R61.7Low65Low120 Ų12084.2 Ų84.245%0.45353%0.529SS..Hα-helixtrans-66.5-38175.5-80.5-161-164.2-159.23.8112.6Q225 Q226 W244Q225-R228 PolarHBondContact O-N 3.01Å; Q226-R228 PolarHBondContact O-N 3.01Å; R228-W244 HydrophobicContact CG-CH2 3.95Å; R228-W244 HydrophobicContact CG-CZ3 4.41Å
229F53.3Low62.7Low141 Ų14190.4 Ų90.462%0.61856%0.558SS**Hα-helixtrans-76.2-41.6-175.4-111.9-88.9000112.1Q226 G231 S232Q226-F229 PolarHBondContact O-N 3.11Å; F229-G231 PolarHBondContact O-N 3.43Å; F229-G231 VanDerWaalsContact O-N 3.17Å; F229-S232 PolarHBondContact O-N 3.49Å; F229-S232 VanDerWaalsContact O-N 3.1Å
230N52.1Low60.4Low148 Ų14890 Ų9079%0.79157%0.574SS**Hα-helixtrans-65.5-16.2176.3-83.67.6000114Q226Q226-N230 PolarHBondContact O-N 3.38Å; Q226-N230 VanDerWaalsContact O-N 3.08Å
231G49.8Very low58.5Low50 Ų5094 Ų9452%0.51561%0.607SS.*THydrogen-bonded Turntrans-85.6-8.917400000115.1F229F229-G231 PolarHBondContact O-N 3.43Å; F229-G231 VanDerWaalsContact O-N 3.17Å
232S43.5Very low56.9Low100 Ų10096.9 Ų96.970%0.69963%0.628SS**THydrogen-bonded Turntrans-127.8-3.7-169.1-167.80000116.2F229F229-S232 PolarHBondContact O-N 3.49Å; F229-S232 VanDerWaalsContact O-N 3.1Å
233E42.3Very low55.5Low158 Ų15895.8 Ų95.874%0.73862%0.621SS**  trans-123.996.6176.9-71.4-163.6141.900112.6
234G41.1Very low54.3Low77 Ų7797.8 Ų97.879%0.79463%0.626SS**  trans-157.445.817300000111G236G234-G236 PolarHBondContact O-N 3.36Å; G234-G236 VanDerWaalsContact O-N 3.08Å
235G45.3Very low53.5Low93 Ų9398 Ų9896%0.95963%0.629SS**  trans-7097170.500000110.4
236G41.7Very low52.8Low78 Ų7894.8 Ų94.880%0.80462%0.616SS**SBendtrans139.290.6161.500000115.7G234G234-G236 PolarHBondContact O-N 3.36Å; G234-G236 VanDerWaalsContact O-N 3.08Å
237G40.4Very low52.6Low82 Ų8289.5 Ų89.585%0.84559%0.592SS**SBendtrans105.993.5150.300000117.5
238G44.6Very low52.9Low80 Ų8087.7 Ų87.783%0.82559%0.587SS**SBendtrans79.434.5131.200000120.3
239Q42.8Very low53.4Low190 Ų19084.3 Ų84.389%0.88858%0.576SS**SBendtrans-164.3134149.6-110.8161.534.500107.6A241Q239-A241 PolarHBondContact O-N 3Å
240A45Very low54.4Low104 Ų10480.6 Ų80.686%0.8656%0.561SS**  trans-60.4113.1-177.800000109.2
241A50.8Low55.5Low87 Ų8777.3 Ų77.372%0.71954%0.543SS*.  trans-57.8140170.900000108.9Q239 A243Q239-A241 PolarHBondContact O-N 3Å; A241-A243 PolarHBondContact O-N 3.4Å
242P56.7Low57Low84 Ų8479.4 Ų79.455%0.54554%0.542SS..  trans-54.8135.1177.118-27.2000110.1D155 W244D155-P242 HydrophobicContact CB-CB 3.93Å; P242-W244 PolarHBondContact O-N 3.3Å
243A59.4Low58.9Low28 Ų2875 Ų7523%0.23151%0.511CS..  trans-75.2100-17600000109.2C144 S153 L154 A241 C245C144-A243 HydrophobicContact CB-CB 3.68Å; S153-A243 PolarHBondContact O-N 2.95Å; L154-A243 VanDerWaalsContact CD1-O 3.27Å; L154-A243 WeakPolarHBondContact CD1-O 3.24Å; A241-A243 PolarHBondContact O-N 3.4Å; A243-C245 PolarHBondContact O-N 2.85Å
244W61.5Low61Low111 Ų11169.2 Ų69.242%0.4248%0.484SS..  trans-71.8114.7174.7-177.363.5000110.3R228 P242 P246R228-W244 HydrophobicContact CG-CH2 3.95Å; R228-W244 HydrophobicContact CG-CZ3 4.41Å; P242-W244 PolarHBondContact O-N 3.3Å; W244-P246 HydrophobicContact CD2-CB 4.49Å; W244-P246 HydrophobicContact CD2-CG 4.06Å; W244-P246 HydrophobicContact CE3-CG 4.01Å; W244-P246 HydrophobicContact CH2-CB 4Å; W244-P246 HydrophobicContact CH2-CG 3.52Å; W244-P246 HydrophobicContact CZ2-CB 3.52Å; W244-P246 HydrophobicContact CZ2-CG 3.53Å; W244-P246 HydrophobicContact CZ3-CG 3.76Å
245C66.8Low63.2Low30 Ų3068.8 Ų68.820%0.20347%0.467CS..  trans-124.981.8177.9-64.20000109.9Q145 L154 A243Q145-C245 PolarHBondContact NE2-SG 3Å; L154-C245 HydrophobicContact CD1-CB 3.84Å; A243-C245 PolarHBondContact O-N 2.85Å
246P67.4Low65.3Low22 Ų2268.3 Ų68.314%0.14344%0.44CS..  trans-67.8151.2-177.629.3-37.2000112W244 E250 L251W244-P246 HydrophobicContact CD2-CB 4.49Å; W244-P246 HydrophobicContact CD2-CG 4.06Å; W244-P246 HydrophobicContact CE3-CG 4.01Å; W244-P246 HydrophobicContact CH2-CB 4Å; W244-P246 HydrophobicContact CH2-CG 3.52Å; W244-P246 HydrophobicContact CZ2-CB 3.52Å; W244-P246 HydrophobicContact CZ2-CG 3.53Å; W244-P246 HydrophobicContact CZ3-CG 3.76Å; P246-E250 HydrophobicContact CB-CB 4.35Å; P246-E250 HydrophobicContact CB-CG 4.45Å; P246-L251 HydrophobicContact CB-CD1 3.88Å; P246-L251 HydrophobicContact CG-CD1 3.57Å; P246-L251 HydrophobicContact CG-CG 4.4Å
247M72.6Confident67.7Low11 Ų1164.6 Ų64.65%0.05440%0.402CS..  trans-69.8151.6174.3-164.3-177.4-6300110.6L22 I58 P59 E249 E250 L251L22-M247 HydrophobicContact CB-CE 3.72Å; L22-M247 HydrophobicContact CD1-CE 3.8Å; L22-M247 HydrophobicContact CG-CE 4.34Å; I58-M247 HydrophobicContact CG2-SD 4.37Å; P59-M247 HydrophobicContact CG-SD 4.34Å; M247-E249 PolarHBondContact O-N 3.24Å; M247-E249 HydrophobicContact SD-CB 4.32Å; M247-E250 HydrophobicContact CB-CB 4.42Å; M247-E250 WeakPolarHBondContact O-CA 3.47Å; M247-E250 WeakPolarHBondContact O-CB 3.25Å; M247-E250 PolarHBondContact O-N 2.95Å; M247-L251 WeakPolarHBondContact O-CD1 3.38Å; M247-L251 PolarHBondContact O-N 3.37Å
248E71.9Confident70.2Confident48 Ų4862.9 Ų62.922%0.22438%0.375CS..Hα-helixtrans-55-35.4176.1-172.1168.4-174.800112K62 C63 L251 L252K62-E248 IonicContact NZ-OE1 3.78Å; K62-E248 PolarHBondContact NZ-OE1 3.05Å; C63-E248 PolarHBondContact SG-OE2 2.92Å; E248-L251 WeakPolarHBondContact O-CB 3.26Å; E248-L251 PolarHBondContact O-N 3.05Å; E248-L252 HydrophobicContact CG-CD1 4.33Å; E248-L252 VanDerWaalsContact O-CG 3.29Å; E248-L252 WeakPolarHBondContact O-CG 3.47Å; E248-L252 PolarHBondContact O-N 3.36Å
249E73.4Confident72.5Confident49 Ų4966.2 Ų66.223%0.22937%0.367CS..Hα-helixtrans-66.2-40174.3-166.6-153.8-155.800112.6I58 R165 M247 L251 L252 A253I58-E249 VanDerWaalsContact CG2-CD 3.41Å; I58-E249 WeakPolarHBondContact CG2-OE2 3.33Å; R165-E249 IonicContact CZ-OE1 3.47Å; R165-E249 IonicContact NH1-OE1 3.03Å; R165-E249 PolarHBondContact NH1-OE1 3.43Å; R165-E249 IonicContact NH1-OE2 3.31Å; R165-E249 PolarHBondContact NH1-OE2 3.48Å; R165-E249 IonicContact NH2-OE1 2.71Å; M247-E249 PolarHBondContact O-N 3.24Å; M247-E249 HydrophobicContact SD-CB 4.32Å; E249-L251 VanDerWaalsContact C-N 3.3Å; E249-L251 PolarHBondContact O-N 2.74Å; E249-L252 CarbonylContact O-C 3.58Å; E249-L252 PolarHBondContact O-N 3.28Å; E249-A253 PolarHBondContact O-N 2.77Å
250E72.7Confident74.9Confident63 Ų6358.2 Ų58.229%0.29433%0.33SS..Hα-helixtrans-66.9-31.5174.9-166175.4-172.700111.6P246 M247P246-E250 HydrophobicContact CB-CB 4.35Å; P246-E250 HydrophobicContact CB-CG 4.45Å; M247-E250 HydrophobicContact CB-CB 4.42Å; M247-E250 WeakPolarHBondContact O-CA 3.47Å; M247-E250 WeakPolarHBondContact O-CB 3.25Å; M247-E250 PolarHBondContact O-N 2.95Å
251L75.9Confident77.3Confident79 Ų7953.4 Ų53.441%0.41429%0.29SS..Hα-helixtrans-68.1-34.1169.2-82.794.6000112.9P246 M247 E248 E249 P255P246-L251 HydrophobicContact CB-CD1 3.88Å; P246-L251 HydrophobicContact CG-CD1 3.57Å; P246-L251 HydrophobicContact CG-CG 4.4Å; M247-L251 WeakPolarHBondContact O-CD1 3.38Å; M247-L251 PolarHBondContact O-N 3.37Å; E248-L251 WeakPolarHBondContact O-CB 3.26Å; E248-L251 PolarHBondContact O-N 3.05Å; E249-L251 VanDerWaalsContact C-N 3.3Å; E249-L251 PolarHBondContact O-N 2.74Å; L251-P255 VanDerWaalsContact O-CD 3.28Å; L251-P255 WeakPolarHBondContact O-CD 3.49Å
252L81.5Confident79.3Confident93 Ų9353.8 Ų53.849%0.48728%0.28SS..Hα-helixtrans-84.5-19.6-179.3-70.2172.7000113.1E248 E249 Q254 P255 Q256E248-L252 HydrophobicContact CG-CD1 4.33Å; E248-L252 VanDerWaalsContact O-CG 3.29Å; E248-L252 WeakPolarHBondContact O-CG 3.47Å; E248-L252 PolarHBondContact O-N 3.36Å; E249-L252 CarbonylContact O-C 3.58Å; E249-L252 PolarHBondContact O-N 3.28Å; L252-Q254 VanDerWaalsContact C-N 3.3Å; L252-Q254 PolarHBondContact O-N 3.47Å; L252-P255 WeakPolarHBondContact O-CD 3.28Å; L252-P255 VanDerWaalsContact O-CG 3.25Å; L252-P255 WeakPolarHBondContact O-CG 3.38Å; L252-Q256 VanDerWaalsContact O-CB 3.3Å; L252-Q256 WeakPolarHBondContact O-CB 3.46Å; L252-Q256 PolarHBondContact O-N 2.91Å
253A83.6Confident81.1Confident7 Ų751.5 Ų51.56%0.05827%0.266CS..Hα-helixtrans-56.8-43.2176.800000111.9F168 L224 E249 Q256 V257F168-A253 HydrophobicContact CD2-CB 4.01Å; F168-A253 HydrophobicContact CE2-CB 3.49Å; F168-A253 VanDerWaalsContact CE2-CB 3.49Å; F168-A253 HydrophobicContact CZ-CB 4.03Å; L224-A253 HydrophobicContact CD1-CB 4.22Å; L224-A253 HydrophobicContact CD2-CB 4.45Å; E249-A253 PolarHBondContact O-N 2.77Å; A253-Q256 PolarHBondContact O-N 3.31Å; A253-V257 WeakPolarHBondContact O-CB 3.3Å; A253-V257 VanDerWaalsContact O-CG2 3.26Å; A253-V257 WeakPolarHBondContact O-CG2 3.38Å; A253-V257 PolarHBondContact O-N 3.17Å
254Q85.4Confident82.8Confident37 Ų3750.3 Ų50.317%0.17326%0.256CS..Hα-helixtrans-60.8-58.1178.8-176.7-174.3-11.300113L221 L252 Q256 V257 T258L221-Q254 HydrophobicContact CD1-CG 3.77Å; L252-Q254 VanDerWaalsContact C-N 3.3Å; L252-Q254 PolarHBondContact O-N 3.47Å; Q254-Q256 PolarHBondContact O-N 3.48Å; Q254-V257 PolarHBondContact O-N 2.95Å; Q254-T258 PolarHBondContact O-N 2.84Å; Q254-T258 PolarHBondContact O-OG1 2.92Å; Q254-T258 VanDerWaalsContact O-OG1 3.05Å
255P87.7Confident84.3Confident68 Ų6851 Ų5144%0.44226%0.258SS..Hα-helixtrans-63.1-28.517822.9-32.4000113.1L251 L252 K259L251-P255 VanDerWaalsContact O-CD 3.28Å; L251-P255 WeakPolarHBondContact O-CD 3.49Å; L252-P255 WeakPolarHBondContact O-CD 3.28Å; L252-P255 VanDerWaalsContact O-CG 3.25Å; L252-P255 WeakPolarHBondContact O-CG 3.38Å; P255-K259 WeakPolarHBondContact O-CB 3.47Å; P255-K259 PolarHBondContact O-N 3.33Å
256Q89.5Confident85.5Confident83 Ų8354.8 Ų54.839%0.38827%0.273SS..Hα-helixtrans-66.4-48.5173.3-178.9175.1-1100112L252 A253 Q254 K259 L260L252-Q256 VanDerWaalsContact O-CB 3.3Å; L252-Q256 WeakPolarHBondContact O-CB 3.46Å; L252-Q256 PolarHBondContact O-N 2.91Å; A253-Q256 PolarHBondContact O-N 3.31Å; Q254-Q256 PolarHBondContact O-N 3.48Å; Q256-K259 PolarHBondContact O-N 3.23Å; Q256-L260 HydrophobicContact CG-CD1 4.38Å; Q256-L260 WeakPolarHBondContact O-CG 3.29Å; Q256-L260 PolarHBondContact O-N 3.24Å
257V92.5Very high86.7Confident0 Ų055.2 Ų55.20%027%0.273CS..Hα-helixtrans-61.5-44.5176.1170.30000110.7F168 F171 L220 L221 L224 A253 Q254 K259 L260 L261F168-V257 HydrophobicContact CD2-CG2 4.01Å; F168-V257 HydrophobicContact CE2-CG2 3.81Å; F171-V257 HydrophobicContact CD1-CG1 4.38Å; F171-V257 HydrophobicContact CD1-CG2 4.05Å; F171-V257 HydrophobicContact CE1-CB 4.14Å; F171-V257 HydrophobicContact CE1-CG1 3.75Å; F171-V257 HydrophobicContact CE1-CG2 3.97Å; F171-V257 HydrophobicContact CZ-CG1 4.23Å; L220-V257 HydrophobicContact CD2-CG2 3.77Å; L220-V257 HydrophobicContact CG-CG2 4.29Å; L221-V257 HydrophobicContact CB-CG1 4.02Å; L221-V257 HydrophobicContact CD1-CG1 4.38Å; L224-V257 HydrophobicContact CD1-CG2 4.15Å; A253-V257 WeakPolarHBondContact O-CB 3.3Å; A253-V257 VanDerWaalsContact O-CG2 3.26Å; A253-V257 WeakPolarHBondContact O-CG2 3.38Å; A253-V257 PolarHBondContact O-N 3.17Å; Q254-V257 PolarHBondContact O-N 2.95Å; V257-K259 PolarHBondContact O-N 3.29Å; V257-L260 PolarHBondContact O-N 3.42Å; V257-L261 HydrophobicContact CG1-CD1 4.05Å; V257-L261 HydrophobicContact CG1-CG 4.44Å; V257-L261 WeakPolarHBondContact O-CB 3.01Å; V257-L261 WeakPolarHBondContact O-CG 3.16Å; V257-L261 PolarHBondContact O-N 3Å
258T92Very high87.7Confident46 Ų4656.2 Ų56.228%0.28228%0.277SS..Hα-helixtrans-58.8-47.7176.1-570000111.7Q254 L260 L261 D262Q254-T258 PolarHBondContact O-N 2.84Å; Q254-T258 PolarHBondContact O-OG1 2.92Å; Q254-T258 VanDerWaalsContact O-OG1 3.05Å; T258-L260 VanDerWaalsContact C-N 3.34Å; T258-L260 PolarHBondContact O-N 3.06Å; T258-L261 PolarHBondContact O-N 3.48Å; T258-D262 VanDerWaalsContact O-CG 3.32Å; T258-D262 PolarHBondContact O-N 3Å
259K93.4Very high88.6Confident151 Ų15158 Ų5866%0.65729%0.291SS*.Hα-helixtrans-61.3-41.2178.5-177.5-178.4175.6-173.20112.4P255 Q256 V257 S263P255-K259 WeakPolarHBondContact O-CB 3.47Å; P255-K259 PolarHBondContact O-N 3.33Å; Q256-K259 PolarHBondContact O-N 3.23Å; V257-K259 PolarHBondContact O-N 3.29Å; K259-S263 WeakPolarHBondContact O-CB 3.46Å; K259-S263 PolarHBondContact O-N 3.19Å; K259-S263 PolarHBondContact O-OG 2.93Å
260L93.5Very high89.4Confident21 Ų2160 Ų6011%0.1130%0.299CS..Hα-helixtrans-65-44.8176.7-75.9171.7000111.3F171 T172 T176 Q256 V257 T258 D262 S263 L264F171-L260 HydrophobicContact CE1-CB 4.18Å; F171-L260 HydrophobicContact CE1-CD1 4.11Å; F171-L260 HydrophobicContact CZ-CB 4.3Å; T172-L260 HydrophobicContact CG2-CD1 4.28Å; T176-L260 HydrophobicContact CG2-CD2 4Å; Q256-L260 HydrophobicContact CG-CD1 4.38Å; Q256-L260 WeakPolarHBondContact O-CG 3.29Å; Q256-L260 PolarHBondContact O-N 3.24Å; V257-L260 PolarHBondContact O-N 3.42Å; T258-L260 VanDerWaalsContact C-N 3.34Å; T258-L260 PolarHBondContact O-N 3.06Å; L260-D262 PolarHBondContact O-N 3.37Å; L260-S263 PolarHBondContact O-N 3.42Å; L260-L264 VanDerWaalsContact O-CB 3.32Å; L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 2.74Å
261L94.8Very high90.1Very high4 Ų458.4 Ų58.42%0.02129%0.291CS..Hα-helixtrans-59.3-45.5175.1-79.1173.4000112.3F171 L214 L221 V257 T258 L264 R265F171-L261 HydrophobicContact CE2-CD2 4.35Å; F171-L261 HydrophobicContact CZ-CD2 4.14Å; F171-L261 HydrophobicContact CZ-CG 4.08Å; L214-L261 HydrophobicContact CD2-CD2 3.82Å; L221-L261 HydrophobicContact CB-CD1 4.36Å; L221-L261 HydrophobicContact CD2-CD1 3.95Å; V257-L261 HydrophobicContact CG1-CD1 4.05Å; V257-L261 HydrophobicContact CG1-CG 4.44Å; V257-L261 WeakPolarHBondContact O-CB 3.01Å; V257-L261 WeakPolarHBondContact O-CG 3.16Å; V257-L261 PolarHBondContact O-N 3Å; T258-L261 PolarHBondContact O-N 3.48Å; L261-L264 PolarHBondContact O-N 3.42Å; L261-R265 WeakPolarHBondContact O-CB 3.4Å; L261-R265 WeakPolarHBondContact O-CG 3.24Å; L261-R265 PolarHBondContact O-N 2.82Å
262D94.1Very high90.8Very high94 Ų9458.8 Ų58.850%0.50329%0.29SS..Hα-helixtrans-62.6-44.7178.3-69.2-24.4000111.1T258 L260 R265 E266T258-D262 VanDerWaalsContact O-CG 3.32Å; T258-D262 PolarHBondContact O-N 3Å; L260-D262 PolarHBondContact O-N 3.37Å; D262-R265 PolarHBondContact O-N 3.47Å; D262-E266 PolarHBondContact O-N 2.96Å
263S94.3Very high91.1Very high37 Ų3757.7 Ų57.726%0.25928%0.283SS..Hα-helixtrans-64.8-43.6178.8-540000111.7K259 L260 E266 Q267K259-S263 WeakPolarHBondContact O-CB 3.46Å; K259-S263 PolarHBondContact O-N 3.19Å; K259-S263 PolarHBondContact O-OG 2.93Å; L260-S263 PolarHBondContact O-N 3.42Å; S263-E266 PolarHBondContact O-N 3.31Å; S263-Q267 WeakPolarHBondContact O-CG 3.46Å; S263-Q267 PolarHBondContact O-N 3.39Å
264L93.8Very high91.2Very high3 Ų358.1 Ų58.12%0.01628%0.284CS..Hα-helixtrans-63.4-44.6175.7-80.9174.4000111.7S175 L178 L179 V213 L214 L260 L261 E266 Q267 Y268S175-L264 WeakPolarHBondContact OG-CD1 3.4Å; L178-L264 HydrophobicContact CB-CD2 4.19Å; L178-L264 HydrophobicContact CD2-CD2 3.87Å; L178-L264 HydrophobicContact CG-CD2 3.97Å; L179-L264 HydrophobicContact CB-CD2 4.14Å; L179-L264 HydrophobicContact CD1-CD2 4.11Å; L179-L264 HydrophobicContact CD1-CG 4.45Å; V213-L264 HydrophobicContact CG1-CD1 3.92Å; L214-L264 HydrophobicContact CD2-CB 3.85Å; L214-L264 HydrophobicContact CD2-CD1 4.47Å; L260-L264 VanDerWaalsContact O-CB 3.32Å; L260-L264 WeakPolarHBondContact O-CB 3.5Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 2.74Å; L261-L264 PolarHBondContact O-N 3.42Å; L264-E266 VanDerWaalsContact C-N 3.32Å; L264-E266 PolarHBondContact O-N 2.77Å; L264-Q267 PolarHBondContact O-N 2.86Å; L264-Y268 WeakPolarHBondContact O-CB 3.46Å; L264-Y268 PolarHBondContact O-N 3.26Å
265R93.7Very high91.2Very high124 Ų12458 Ų5847%0.46829%0.287SS..Hα-helixtrans-58.8-44.4176.8-78.1170.3169.3-136.6-2.8111.4L214 H218 L261 D262 T269L214-R265 HydrophobicContact CD1-CG 4.47Å; L214-R265 HydrophobicContact CD2-CG 3.75Å; H218-R265 PolarHBondContact CE1-NH2 3.07Å; H218-R265 PolarHBondContact NE2-NH2 3.26Å; L261-R265 WeakPolarHBondContact O-CB 3.4Å; L261-R265 WeakPolarHBondContact O-CG 3.24Å; L261-R265 PolarHBondContact O-N 2.82Å; D262-R265 PolarHBondContact O-N 3.47Å; R265-T269 WeakPolarHBondContact O-CB 3.22Å; R265-T269 PolarHBondContact O-N 3.14Å; R265-T269 PolarHBondContact O-OG1 2.95Å
266E92.9Very high91.1Very high110 Ų11060.1 Ų60.151%0.51429%0.286SS..Hα-helixtrans-62.8-48.8178.4-167.9-167.1154.300111.6D262 S263 L264 T269 K270D262-E266 PolarHBondContact O-N 2.96Å; S263-E266 PolarHBondContact O-N 3.31Å; L264-E266 VanDerWaalsContact C-N 3.32Å; L264-E266 PolarHBondContact O-N 2.77Å; E266-T269 PolarHBondContact O-N 3.43Å; E266-K270 PolarHBondContact O-N 3.03Å; E266-K270 IonicContact OE1-NZ 3.36Å; E266-K270 PolarHBondContact OE1-NZ 3.05Å
267Q91.8Very high90.7Very high32 Ų3259.6 Ų59.615%0.1528%0.283CS..Hα-helixtrans-69-36.3179.8-68-60.9-24.300112.6L179 L182 T183 N186 S263 L264 K270 Y271L179-Q267 HydrophobicContact CD1-CB 4.05Å; L179-Q267 HydrophobicContact CD1-CG 3.6Å; L182-Q267 HydrophobicContact CB-CB 4.04Å; L182-Q267 HydrophobicContact CD1-CB 4.22Å; T183-Q267 HydrophobicContact CG2-CG 4.21Å; N186-Q267 PolarHBondContact ND2-O 3.44Å; N186-Q267 PolarHBondContact ND2-OE1 2.92Å; S263-Q267 WeakPolarHBondContact O-CG 3.46Å; S263-Q267 PolarHBondContact O-N 3.39Å; L264-Q267 PolarHBondContact O-N 2.86Å; Q267-K270 PolarHBondContact O-N 3.01Å; Q267-Y271 WeakPolarHBondContact O-CB 3.32Å; Q267-Y271 PolarHBondContact O-N 2.69Å
268Y92.4Very high90.3Very high31 Ų3164.3 Ų64.312%0.12230%0.301CS..Hα-helixtrans-65.7-39.8175.8-177.8-128.4000111.6P210 E211 L214 L264 K270 Y271 Q272P210-Y268 HydrophobicContact CB-CD1 4.44Å; P210-Y268 HydrophobicContact CB-CD2 3.32Å; P210-Y268 HydrophobicContact CB-CE2 3.48Å; P210-Y268 VanDerWaalsContact CB-CE2 3.48Å; P210-Y268 HydrophobicContact CB-CG 3.86Å; P210-Y268 HydrophobicContact CG-CD2 3.64Å; P210-Y268 HydrophobicContact CG-CE2 3.65Å; E211-Y268 HydrophobicContact CG-CE1 4.05Å; E211-Y268 WeakPolarHBondContact CG-OH 3.13Å; E211-Y268 PolarHBondContact OE1-OH 2.98Å; L214-Y268 HydrophobicContact CD1-CD1 3.87Å; L214-Y268 HydrophobicContact CD1-CE1 4.42Å; L214-Y268 HydrophobicContact CD1-CG 4.48Å; L264-Y268 WeakPolarHBondContact O-CB 3.46Å; L264-Y268 PolarHBondContact O-N 3.26Å; Y268-K270 VanDerWaalsContact C-N 3.31Å; Y268-K270 PolarHBondContact O-N 2.75Å; Y268-Y271 AromaticContact CD2-CD1 3.92Å; Y268-Y271 HydrophobicContact CD2-CD1 3.92Å; Y268-Y271 AromaticContact CE2-CD1 3.97Å; Y268-Y271 HydrophobicContact CE2-CD1 3.97Å; Y268-Y271 HydrophobicContact CE2-CE1 4.4Å; Y268-Y271 WeakPolarHBondContact O-CB 3.29Å; Y268-Y271 PolarHBondContact O-N 2.96Å; Y268-Y271 VanDerWaalsContact O-N 3.17Å; Y268-Q272 HydrophobicContact CD1-CG 4.4Å; Y268-Q272 HydrophobicContact CD2-CG 4.15Å; Y268-Q272 HydrophobicContact CE1-CG 4.09Å; Y268-Q272 HydrophobicContact CE2-CG 3.78Å; Y268-Q272 HydrophobicContact CG-CG 4.45Å; Y268-Q272 WeakPolarHBondContact O-CG 3.34Å; Y268-Q272 PolarHBondContact O-N 3.21Å; Y268-Q272 PolarHBondContact OH-NE2 2.94Å; Y268-Q272 VanDerWaalsContact OH-NE2 3.14Å
269T91.2Very high90Very high86 Ų8667.2 Ų67.253%0.52832%0.315SS..Hα-helixtrans-60.4-42.4175.3-54.10000111.2R265 E266 Q272 E273R265-T269 WeakPolarHBondContact O-CB 3.22Å; R265-T269 PolarHBondContact O-N 3.14Å; R265-T269 PolarHBondContact O-OG1 2.95Å; E266-T269 PolarHBondContact O-N 3.43Å; T269-Q272 PolarHBondContact O-N 2.96Å; T269-E273 PolarHBondContact O-N 3.25Å; T269-E273 VanDerWaalsContact O-N 3.09Å
270K90Very high89.5Confident91 Ų9161.1 Ų61.140%0.39629%0.289SS..Hα-helixtrans-63.2-43.4174.6-69.3172.8-170.4163.80111.6N186 E266 Q267 Y268 E273 L274N186-K270 WeakPolarHBondContact ND2-CB 3.34Å; E266-K270 PolarHBondContact O-N 3.03Å; E266-K270 IonicContact OE1-NZ 3.36Å; E266-K270 PolarHBondContact OE1-NZ 3.05Å; Q267-K270 PolarHBondContact O-N 3.01Å; Y268-K270 VanDerWaalsContact C-N 3.31Å; Y268-K270 PolarHBondContact O-N 2.75Å; K270-E273 PolarHBondContact O-N 3.43Å; K270-L274 WeakPolarHBondContact O-CG 3.25Å; K270-L274 PolarHBondContact O-N 3.45Å
271Y88.8Confident89Confident30 Ų3068.3 Ų68.312%0.11831%0.314CS..Hα-helixtrans-62.2-42.7176.7170.7-100.1000112.4L182 I185 N186 Q267 Y268 E273 L274 C275L182-Y271 HydrophobicContact CD2-CD1 4.26Å; L182-Y271 HydrophobicContact CD2-CD2 3.94Å; L182-Y271 HydrophobicContact CD2-CG 3.75Å; I185-Y271 HydrophobicContact CD1-CE2 4.5Å; I185-Y271 HydrophobicContact CG2-CD2 3.81Å; I185-Y271 HydrophobicContact CG2-CE2 4.02Å; N186-Y271 VanDerWaalsContact OD1-CA 3.24Å; N186-Y271 WeakPolarHBondContact OD1-CA 3.35Å; N186-Y271 PolarHBondContact OD1-N 2.83Å; Q267-Y271 WeakPolarHBondContact O-CB 3.32Å; Q267-Y271 PolarHBondContact O-N 2.69Å; Y268-Y271 AromaticContact CD2-CD1 3.92Å; Y268-Y271 HydrophobicContact CD2-CD1 3.92Å; Y268-Y271 AromaticContact CE2-CD1 3.97Å; Y268-Y271 HydrophobicContact CE2-CD1 3.97Å; Y268-Y271 HydrophobicContact CE2-CE1 4.4Å; Y268-Y271 WeakPolarHBondContact O-CB 3.29Å; Y268-Y271 PolarHBondContact O-N 2.96Å; Y268-Y271 VanDerWaalsContact O-N 3.17Å; Y271-E273 VanDerWaalsContact C-N 3.33Å; Y271-E273 PolarHBondContact O-N 2.89Å; Y271-L274 PolarHBondContact O-N 2.95Å; Y271-C275 PolarHBondContact O-N 3.1Å; Y271-C275 PolarHBondContact O-SG 2.97Å
272Q89.4Confident88.5Confident86 Ų8670.8 Ų70.840%0.40234%0.335SS..Hα-helixtrans-60.4-42.9175.7-74.5-178.8-41.200111.7Y268 T269 C275 R276Y268-Q272 HydrophobicContact CD1-CG 4.4Å; Y268-Q272 HydrophobicContact CD2-CG 4.15Å; Y268-Q272 HydrophobicContact CE1-CG 4.09Å; Y268-Q272 HydrophobicContact CE2-CG 3.78Å; Y268-Q272 HydrophobicContact CG-CG 4.45Å; Y268-Q272 WeakPolarHBondContact O-CG 3.34Å; Y268-Q272 PolarHBondContact O-N 3.21Å; Y268-Q272 PolarHBondContact OH-NE2 2.94Å; Y268-Q272 VanDerWaalsContact OH-NE2 3.14Å; T269-Q272 PolarHBondContact O-N 2.96Å; Q272-C275 PolarHBondContact O-N 3.17Å; Q272-R276 PolarHBondContact O-N 3.18Å
273E87.7Confident88.3Confident71 Ų7171 Ų7133%0.33233%0.333SS..Hα-helixtrans-64.8-41.6177.2-17852.8-153.100111.8T269 K270 Y271 C275 R276 Q277T269-E273 PolarHBondContact O-N 3.25Å; T269-E273 VanDerWaalsContact O-N 3.09Å; K270-E273 PolarHBondContact O-N 3.43Å; Y271-E273 VanDerWaalsContact C-N 3.33Å; Y271-E273 PolarHBondContact O-N 2.89Å; E273-C275 PolarHBondContact O-N 3.42Å; E273-R276 WeakPolarHBondContact O-CB 3.43Å; E273-R276 PolarHBondContact O-N 3.24Å; E273-R276 IonicContact OE1-CZ 3.03Å; E273-R276 IonicContact OE1-NE 2.64Å; E273-R276 PolarHBondContact OE1-NE 3.45Å; E273-R276 IonicContact OE1-NH2 2.75Å; E273-R276 PolarHBondContact OE1-NH2 3.24Å; E273-R276 IonicContact OE2-CZ 3.13Å; E273-R276 IonicContact OE2-NE 2.73Å; E273-R276 PolarHBondContact OE2-NE 3.32Å; E273-R276 IonicContact OE2-NH2 2.76Å; E273-Q277 WeakPolarHBondContact O-CG 3.35Å; E273-Q277 PolarHBondContact O-N 3.37Å; E273-Q277 PolarHBondContact OE1-NE2 2.89Å
274L85.6Confident87.9Confident16 Ų1670.2 Ų70.28%0.08433%0.326CS..Hα-helixtrans-60.8-42.4173-72.5174.1000112.7N186 E189 K270 Y271 R276 Q277 R278N186-L274 HydrophobicContact CB-CD1 4.16Å; N186-L274 VanDerWaalsContact OD1-CD1 3.29Å; N186-L274 WeakPolarHBondContact OD1-CD1 3.41Å; E189-L274 HydrophobicContact CB-CD2 4.17Å; E189-L274 HydrophobicContact CG-CD2 3.74Å; E189-L274 WeakPolarHBondContact OE2-CD2 3.48Å; K270-L274 WeakPolarHBondContact O-CG 3.25Å; K270-L274 PolarHBondContact O-N 3.45Å; Y271-L274 PolarHBondContact O-N 2.95Å; L274-R276 VanDerWaalsContact C-N 3.32Å; L274-R276 PolarHBondContact O-N 3.08Å; L274-Q277 PolarHBondContact O-N 3.26Å; L274-R278 WeakPolarHBondContact O-CG 3.33Å; L274-R278 PolarHBondContact O-N 3.4Å
275C85.8Confident87.7Confident34 Ų3474.7 Ų74.723%0.2335%0.35CS..Hα-helixtrans-63.1-40.9176.5-67.70000111.4Y271 Q272 E273 R278 N279Y271-C275 PolarHBondContact O-N 3.1Å; Y271-C275 PolarHBondContact O-SG 2.97Å; Q272-C275 PolarHBondContact O-N 3.17Å; E273-C275 PolarHBondContact O-N 3.42Å; C275-R278 PolarHBondContact O-N 3.34Å; C275-N279 WeakPolarHBondContact O-CB 3.37Å; C275-N279 PolarHBondContact O-N 3.5Å
276R85.4Confident87.6Confident112 Ų11273.7 Ų73.742%0.42335%0.351SS..Hα-helixtrans-61-45.4175.1-168.2-168.572.280.91.3111.2Q272 E273 L274 N279 K280Q272-R276 PolarHBondContact O-N 3.18Å; E273-R276 WeakPolarHBondContact O-CB 3.43Å; E273-R276 PolarHBondContact O-N 3.24Å; E273-R276 IonicContact OE1-CZ 3.03Å; E273-R276 IonicContact OE1-NE 2.64Å; E273-R276 PolarHBondContact OE1-NE 3.45Å; E273-R276 IonicContact OE1-NH2 2.75Å; E273-R276 PolarHBondContact OE1-NH2 3.24Å; E273-R276 IonicContact OE2-CZ 3.13Å; E273-R276 IonicContact OE2-NE 2.73Å; E273-R276 PolarHBondContact OE2-NE 3.32Å; E273-R276 IonicContact OE2-NH2 2.76Å; L274-R276 VanDerWaalsContact C-N 3.32Å; L274-R276 PolarHBondContact O-N 3.08Å; R276-N279 PolarHBondContact O-N 3.07Å; R276-K280 WeakPolarHBondContact O-CB 3.41Å; R276-K280 PolarHBondContact O-N 3.39Å
277Q82.2Confident87.6Confident73 Ų7368.8 Ų68.834%0.34133%0.328SS..Hα-helixtrans-65.3-43.4178.3-70.6179.516.200112.4E273 L274 K280 R281E273-Q277 WeakPolarHBondContact O-CG 3.35Å; E273-Q277 PolarHBondContact O-N 3.37Å; E273-Q277 PolarHBondContact OE1-NE2 2.89Å; L274-Q277 PolarHBondContact O-N 3.26Å; Q277-K280 PolarHBondContact O-N 2.98Å; Q277-R281 WeakPolarHBondContact O-CB 3.32Å; Q277-R281 PolarHBondContact O-N 3.39Å
278R83.8Confident87.6Confident99 Ų9970.5 Ų70.537%0.37434%0.336SS..Hα-helixtrans-59.9-47.2174.4-76.8-177.3-178.9156.12.1112.5L274 C275 K280 R281 A282L274-R278 WeakPolarHBondContact O-CG 3.33Å; L274-R278 PolarHBondContact O-N 3.4Å; C275-R278 PolarHBondContact O-N 3.34Å; R278-K280 VanDerWaalsContact C-N 3.31Å; R278-K280 PolarHBondContact O-N 3.01Å; R278-R281 PolarHBondContact O-N 3.1Å; R278-A282 PolarHBondContact O-N 2.91Å
279N84.8Confident87.7Confident107 Ų10772.7 Ų72.757%0.57235%0.352SS*.Hα-helixtrans-61.1-41.3177.1-82.8-20.9000111.8C275 R276 A282 Q283C275-N279 WeakPolarHBondContact O-CB 3.37Å; C275-N279 PolarHBondContact O-N 3.5Å; R276-N279 PolarHBondContact O-N 3.07Å; N279-A282 PolarHBondContact O-N 2.99Å; N279-Q283 WeakPolarHBondContact O-CG 3.38Å; N279-Q283 PolarHBondContact O-N 3.36Å
280K82.9Confident87.9Confident23 Ų2371.3 Ų71.310%0.134%0.339CS..Hα-helixtrans-63.9-43176.6-172.6179177-1700112R276 Q277 R278 Q283 L284 E358R276-K280 WeakPolarHBondContact O-CB 3.41Å; R276-K280 PolarHBondContact O-N 3.39Å; Q277-K280 PolarHBondContact O-N 2.98Å; R278-K280 VanDerWaalsContact C-N 3.31Å; R278-K280 PolarHBondContact O-N 3.01Å; K280-Q283 WeakPolarHBondContact O-CB 3.19Å; K280-Q283 PolarHBondContact O-N 3.14Å; K280-L284 PolarHBondContact O-N 2.83Å; K280-E358 VanDerWaalsContact CE-OE1 3.29Å; K280-E358 WeakPolarHBondContact CE-OE1 3.35Å; K280-E358 VanDerWaalsContact CE-OE2 3.24Å; K280-E358 WeakPolarHBondContact CE-OE2 3.26Å; K280-E358 IonicContact NZ-OE1 2.69Å; K280-E358 PolarHBondContact NZ-OE1 3.48Å; K280-E358 VanDerWaalsContact NZ-OE1 3.08Å; K280-E358 IonicContact NZ-OE2 3.58Å; K280-E358 PolarHBondContact NZ-OE2 3.42Å
281R83.1Confident88.2Confident172 Ų17267 Ų6765%0.64932%0.32SS*.Hα-helixtrans-63.6-42.3176.6-164.5172.1-167.7145.97.1112.2Q277 R278 Q283 L284 D285Q277-R281 WeakPolarHBondContact O-CB 3.32Å; Q277-R281 PolarHBondContact O-N 3.39Å; R278-R281 PolarHBondContact O-N 3.1Å; R281-Q283 VanDerWaalsContact C-N 3.31Å; R281-Q283 PolarHBondContact O-N 3.4Å; R281-L284 WeakPolarHBondContact O-CB 3.3Å; R281-L284 PolarHBondContact O-N 3.35Å; R281-L284 VanDerWaalsContact O-N 3.16Å; R281-D285 PolarHBondContact O-N 3.46Å
282A86Confident88.5Confident56 Ų5668 Ų6846%0.46333%0.326SS..Hα-helixtrans-60.8-39.2174.200000112.3R278 N279 D285 E286R278-A282 PolarHBondContact O-N 2.91Å; N279-A282 PolarHBondContact O-N 2.99Å; A282-D285 PolarHBondContact O-N 2.84Å; A282-E286 WeakPolarHBondContact O-CB 3.47Å; A282-E286 PolarHBondContact O-N 3.18Å
283Q88.6Confident88.8Confident98 Ų9868.9 Ų68.946%0.45833%0.331SS..Hα-helixtrans-64.4-40.4173.8-72.51745.500112.3N279 K280 R281 E286 I287N279-Q283 WeakPolarHBondContact O-CG 3.38Å; N279-Q283 PolarHBondContact O-N 3.36Å; K280-Q283 WeakPolarHBondContact O-CB 3.19Å; K280-Q283 PolarHBondContact O-N 3.14Å; R281-Q283 VanDerWaalsContact C-N 3.31Å; R281-Q283 PolarHBondContact O-N 3.4Å; Q283-E286 PolarHBondContact O-N 3.45Å; Q283-I287 WeakPolarHBondContact O-CG1 3.41Å; Q283-I287 PolarHBondContact O-N 2.96Å
284L87.3Confident89.2Confident21 Ų2165.5 Ų65.511%0.1132%0.315CS..Hα-helixtrans-62.6-45.4175.3-72.4172.4000111.7K280 R281 E286 I287 H288 L350 L362K280-L284 PolarHBondContact O-N 2.83Å; R281-L284 WeakPolarHBondContact O-CB 3.3Å; R281-L284 PolarHBondContact O-N 3.35Å; R281-L284 VanDerWaalsContact O-N 3.16Å; L284-E286 VanDerWaalsContact C-N 3.32Å; L284-E286 PolarHBondContact O-N 3.32Å; L284-I287 PolarHBondContact O-N 2.97Å; L284-H288 WeakPolarHBondContact O-CB 3.45Å; L284-H288 PolarHBondContact O-N 3.44Å; L284-L350 HydrophobicContact CD2-CD1 3.86Å; L284-L362 HydrophobicContact CD2-CD1 4.02Å; L284-L362 HydrophobicContact CD2-CD2 3.48Å; L284-L362 VanDerWaalsContact CD2-CD2 3.48Å; L284-L362 HydrophobicContact CD2-CG 3.8Å
285D88Confident89.7Confident97 Ų9764.9 Ų64.952%0.51931%0.311SS..Hα-helixtrans-62.7-38.7177.5-71.8-24.3000111.8R281 A282 T289R281-D285 PolarHBondContact O-N 3.46Å; A282-D285 PolarHBondContact O-N 2.84Å; D285-T289 WeakPolarHBondContact O-CB 3.4Å; D285-T289 PolarHBondContact O-N 3.01Å; D285-T289 PolarHBondContact O-OG1 2.91Å
286E91.6Very high90.1Very high103 Ų10368.3 Ų68.348%0.48133%0.328SS..Hα-helixtrans-64.5-46.5174.7-171.4-176.7166.900111.6A282 Q283 L284 T289 K290A282-E286 WeakPolarHBondContact O-CB 3.47Å; A282-E286 PolarHBondContact O-N 3.18Å; Q283-E286 PolarHBondContact O-N 3.45Å; L284-E286 VanDerWaalsContact C-N 3.32Å; L284-E286 PolarHBondContact O-N 3.32Å; E286-T289 PolarHBondContact O-N 3.44Å; E286-K290 WeakPolarHBondContact O-CG 3.35Å; E286-K290 PolarHBondContact O-N 3.24Å; E286-K290 VanDerWaalsContact OE1-CE 3.23Å; E286-K290 WeakPolarHBondContact OE1-CE 3.43Å; E286-K290 IonicContact OE1-NZ 2.8Å; E286-K290 PolarHBondContact OE1-NZ 3.28Å
287I92.9Very high90.7Very high6 Ų665.3 Ų65.33%0.03132%0.316CS..Hα-helixtrans-61.5-48.8176.8-72.9169.5000110.4Q283 L284 T289 K290 V291 Q346 I347 L350Q283-I287 WeakPolarHBondContact O-CG1 3.41Å; Q283-I287 PolarHBondContact O-N 2.96Å; L284-I287 PolarHBondContact O-N 2.97Å; I287-T289 VanDerWaalsContact C-N 3.28Å; I287-T289 PolarHBondContact O-N 3.41Å; I287-K290 PolarHBondContact O-N 3.28Å; I287-V291 HydrophobicContact CG2-CG2 4.15Å; I287-V291 VanDerWaalsContact O-CG2 3.3Å; I287-V291 WeakPolarHBondContact O-CG2 3.5Å; I287-V291 PolarHBondContact O-N 2.95Å; I287-Q346 HydrophobicContact CD1-CB 4.09Å; I287-I347 HydrophobicContact CG2-CD1 4.07Å; I287-I347 HydrophobicContact CG2-CG1 3.73Å; I287-L350 HydrophobicContact CD1-CD1 3.31Å; I287-L350 HydrophobicContact CD1-CG 4.44Å
288H92.9Very high91.3Very high69 Ų6961.8 Ų61.832%0.31930%0.3SS..Hα-helixtrans-55.6-46.1177.3179.3-75.2000110.9L284 K290 V291 M292 L365L284-H288 WeakPolarHBondContact O-CB 3.45Å; L284-H288 PolarHBondContact O-N 3.44Å; H288-K290 PolarHBondContact O-N 3.16Å; H288-V291 PolarHBondContact O-N 2.93Å; H288-M292 VanDerWaalsContact O-CG 3.32Å; H288-M292 WeakPolarHBondContact O-CG 3.41Å; H288-M292 PolarHBondContact O-N 3.23Å; H288-L365 HydrophobicContact CB-CD1 4.19Å
289T94.1Very high91.7Very high76 Ų7662.4 Ų62.447%0.46631%0.307SS..Hα-helixtrans-59.5-46.6177.7-59.70000111.8D285 E286 I287 M292 Q293D285-T289 WeakPolarHBondContact O-CB 3.4Å; D285-T289 PolarHBondContact O-N 3.01Å; D285-T289 PolarHBondContact O-OG1 2.91Å; E286-T289 PolarHBondContact O-N 3.44Å; I287-T289 VanDerWaalsContact C-N 3.28Å; I287-T289 PolarHBondContact O-N 3.41Å; T289-M292 PolarHBondContact O-N 3.46Å; T289-Q293 WeakPolarHBondContact O-CG 3.37Å; T289-Q293 PolarHBondContact O-N 2.98Å; T289-Q293 VanDerWaalsContact O-N 3.07Å
290K95.1Very high92.2Very high58 Ų5858.8 Ų58.825%0.25230%0.295SS..Hα-helixtrans-67-41.3178.4-71.3179.4-175.3167.70112.3E286 I287 H288 M292 Q293 V294 L343E286-K290 WeakPolarHBondContact O-CG 3.35Å; E286-K290 PolarHBondContact O-N 3.24Å; E286-K290 VanDerWaalsContact OE1-CE 3.23Å; E286-K290 WeakPolarHBondContact OE1-CE 3.43Å; E286-K290 IonicContact OE1-NZ 2.8Å; E286-K290 PolarHBondContact OE1-NZ 3.28Å; I287-K290 PolarHBondContact O-N 3.28Å; H288-K290 PolarHBondContact O-N 3.16Å; K290-M292 VanDerWaalsContact C-N 3.3Å; K290-M292 PolarHBondContact O-N 3.4Å; K290-Q293 WeakPolarHBondContact O-CB 3.45Å; K290-Q293 PolarHBondContact O-N 3.09Å; K290-Q293 VanDerWaalsContact O-N 3.14Å; K290-V294 WeakPolarHBondContact O-CG2 3.4Å; K290-V294 PolarHBondContact O-N 2.96Å; K290-V294 VanDerWaalsContact O-N 3.09Å; K290-L343 HydrophobicContact CB-CD1 3.97Å; K290-L343 HydrophobicContact CB-CD2 3.63Å; K290-L343 HydrophobicContact CB-CG 4.39Å; K290-L343 HydrophobicContact CD-CD2 3.91Å; K290-L343 HydrophobicContact CG-CD2 4.43Å
291V96.2Very high92.7Very high0 Ų060.7 Ų60.70%031%0.309CS..Hα-helixtrans-56.5-46.9174.31690000110.4I287 H288 Q293 V294 V295 L343 I347 L365 L369I287-V291 HydrophobicContact CG2-CG2 4.15Å; I287-V291 VanDerWaalsContact O-CG2 3.3Å; I287-V291 WeakPolarHBondContact O-CG2 3.5Å; I287-V291 PolarHBondContact O-N 2.95Å; H288-V291 PolarHBondContact O-N 2.93Å; V291-Q293 VanDerWaalsContact C-N 3.31Å; V291-Q293 PolarHBondContact O-N 2.98Å; V291-V294 PolarHBondContact O-N 3.3Å; V291-V295 HydrophobicContact CG1-CG2 4.3Å; V291-V295 WeakPolarHBondContact O-CG2 3.49Å; V291-V295 PolarHBondContact O-N 3.41Å; V291-L343 HydrophobicContact CG2-CD1 4.11Å; V291-I347 HydrophobicContact CG2-CD1 4.34Å; V291-L365 HydrophobicContact CB-CD2 4.37Å; V291-L365 HydrophobicContact CG1-CD2 3.94Å; V291-L369 HydrophobicContact CG1-CB 4.28Å; V291-L369 HydrophobicContact CG1-CD1 4.39Å; V291-L369 HydrophobicContact CG2-CD2 4.33Å
292M95.1Very high93.1Very high50 Ų5052.5 Ų52.525%0.24628%0.279CS..Hα-helixtrans-64.8-33.3178.4-68.6-63.5162.400112.7H288 T289 K290 N296 L365H288-M292 VanDerWaalsContact O-CG 3.32Å; H288-M292 WeakPolarHBondContact O-CG 3.41Å; H288-M292 PolarHBondContact O-N 3.23Å; T289-M292 PolarHBondContact O-N 3.46Å; K290-M292 VanDerWaalsContact C-N 3.3Å; K290-M292 PolarHBondContact O-N 3.4Å; M292-N296 WeakPolarHBondContact O-CB 3.34Å; M292-N296 PolarHBondContact O-N 3Å; M292-N296 PolarHBondContact O-ND2 2.99Å; M292-N296 VanDerWaalsContact O-ND2 3.1Å; M292-L365 HydrophobicContact CE-CD2 4.17Å
293Q95.9Very high93.4Very high106 Ų10650.4 Ų50.450%0.49526%0.26SS..Hα-helixtrans-62.5-46.7172.5-71.3172.6-3.800111.7T289 K290 V291 W297 W336T289-Q293 WeakPolarHBondContact O-CG 3.37Å; T289-Q293 PolarHBondContact O-N 2.98Å; T289-Q293 VanDerWaalsContact O-N 3.07Å; K290-Q293 WeakPolarHBondContact O-CB 3.45Å; K290-Q293 PolarHBondContact O-N 3.09Å; K290-Q293 VanDerWaalsContact O-N 3.14Å; V291-Q293 VanDerWaalsContact C-N 3.31Å; V291-Q293 PolarHBondContact O-N 2.98Å; Q293-W297 WeakPolarHBondContact O-CB 3.36Å; Q293-W297 PolarHBondContact O-N 2.96Å; Q293-W336 HydrophobicContact CB-CZ3 4.29Å
294V96.3Very high93.4Very high0 Ų051.8 Ų51.80%027%0.267CS..Hα-helixtrans-61.2-49.8177.5-177.80000110.5K290 V291 N296 W297 L298 W336 V339 L343 L369K290-V294 WeakPolarHBondContact O-CG2 3.4Å; K290-V294 PolarHBondContact O-N 2.96Å; K290-V294 VanDerWaalsContact O-N 3.09Å; V291-V294 PolarHBondContact O-N 3.3Å; V294-N296 PolarHBondContact O-N 3.04Å; V294-W297 PolarHBondContact O-N 3.09Å; V294-L298 HydrophobicContact CG1-CD1 3.63Å; V294-L298 HydrophobicContact CG1-CG 4.24Å; V294-L298 WeakPolarHBondContact O-CB 3.45Å; V294-L298 WeakPolarHBondContact O-CG 3.46Å; V294-L298 PolarHBondContact O-N 3.08Å; V294-W336 HydrophobicContact CB-CE3 4.24Å; V294-W336 HydrophobicContact CG1-CE3 4.41Å; V294-W336 HydrophobicContact CG2-CE3 3.9Å; V294-W336 HydrophobicContact CG2-CZ3 4.17Å; V294-V339 HydrophobicContact CG2-CB 4.32Å; V294-V339 HydrophobicContact CG2-CG1 3.74Å; V294-L343 HydrophobicContact CG2-CD1 3.87Å; V294-L369 HydrophobicContact CB-CD1 3.76Å; V294-L369 HydrophobicContact CG1-CD1 3.62Å; V294-L369 HydrophobicContact CG2-CD1 4.28Å
295V95.5Very high93.7Very high2 Ų253.3 Ų53.31%0.01228%0.275CS..Hα-helixtrans-59.9-49.2-179.4169.70000111.2V291 W297 L298 Q299 Q368 V372V291-V295 HydrophobicContact CG1-CG2 4.3Å; V291-V295 WeakPolarHBondContact O-CG2 3.49Å; V291-V295 PolarHBondContact O-N 3.41Å; V295-W297 VanDerWaalsContact C-N 3.32Å; V295-W297 PolarHBondContact O-N 2.72Å; V295-L298 PolarHBondContact O-N 2.82Å; V295-Q299 HydrophobicContact CG1-CG 4.4Å; V295-Q299 VanDerWaalsContact CG1-OE1 3.3Å; V295-Q299 WeakPolarHBondContact O-CB 3.23Å; V295-Q299 WeakPolarHBondContact O-CG 3.46Å; V295-Q299 PolarHBondContact O-N 3.21Å; V295-Q368 HydrophobicContact CG2-CG 4.25Å; V295-V372 HydrophobicContact CG1-CG2 4.34Å; V295-V372 HydrophobicContact CG2-CG2 4.41Å
296N95.4Very high93.7Very high107 Ų10749.1 Ų49.157%0.57225%0.252SS*.Hα-helixtrans-63.9-37.4-179.1-72.6-23.9000112.3M292 V294 G300M292-N296 WeakPolarHBondContact O-CB 3.34Å; M292-N296 PolarHBondContact O-N 3Å; M292-N296 PolarHBondContact O-ND2 2.99Å; M292-N296 VanDerWaalsContact O-ND2 3.1Å; V294-N296 PolarHBondContact O-N 3.04Å; N296-G300 WeakPolarHBondContact O-CA 3.48Å; N296-G300 PolarHBondContact O-N 3.46Å
297W96.8Very high93.5Very high48 Ų4849.9 Ų49.918%0.18225%0.254CS..Hα-helixtrans-69.2-48.3176.9-171.192.6000111.5Q293 V294 V295 G300 P301 G302 Q332 H333 W336Q293-W297 WeakPolarHBondContact O-CB 3.36Å; Q293-W297 PolarHBondContact O-N 2.96Å; V294-W297 PolarHBondContact O-N 3.09Å; V295-W297 VanDerWaalsContact C-N 3.32Å; V295-W297 PolarHBondContact O-N 2.72Å; W297-G300 CarbonylContact O-C 3.57Å; W297-G300 PolarHBondContact O-N 2.97Å; W297-P301 WeakPolarHBondContact O-CD 3.35Å; W297-G302 PolarHBondContact O-N 2.69Å; W297-Q332 HydrophobicContact CH2-CB 4.19Å; W297-Q332 HydrophobicContact CZ2-CB 4.36Å; W297-H333 AromaticContact CH2-CE1 3.96Å; W297-H333 AromaticContact CH2-ND1 3.92Å; W297-H333 AromaticContact CZ3-CD2 3.73Å; W297-H333 AromaticContact CZ3-CG 3.94Å; W297-H333 AromaticContact CZ3-NE2 3.84Å; W297-W336 HydrophobicContact CB-CD2 4.27Å; W297-W336 HydrophobicContact CB-CH2 4.16Å; W297-W336 HydrophobicContact CB-CZ2 3.83Å; W297-W336 AromaticContact CD1-CE2 3.79Å; W297-W336 AromaticContact CD1-CZ2 3.62Å; W297-W336 AromaticContact CD1-NE1 3.76Å; W297-W336 AromaticContact CD2-CD1 3.44Å; W297-W336 VanDerWaalsContact CD2-CD1 3.44Å; W297-W336 HydrophobicContact CD2-CD2 4.14Å; W297-W336 AromaticContact CD2-CE2 3.57Å; W297-W336 HydrophobicContact CD2-CG 4.05Å; W297-W336 HydrophobicContact CD2-CZ2 4.19Å; W297-W336 AromaticContact CD2-NE1 3.11Å; W297-W336 AromaticContact CE2-CD1 3.71Å; W297-W336 AromaticContact CE2-CE2 3.98Å; W297-W336 AromaticContact CE2-NE1 3.18Å; W297-W336 HydrophobicContact CE3-CB 4.36Å; W297-W336 AromaticContact CE3-CD1 3.24Å; W297-W336 HydrophobicContact CE3-CD2 4.18Å; W297-W336 AromaticContact CE3-CG 3.68Å; W297-W336 HydrophobicContact CE3-CG 3.68Å; W297-W336 AromaticContact CE3-NE1 3.48Å; W297-W336 HydrophobicContact CG-CD2 4.17Å; W297-W336 AromaticContact CG-CE2 3.46Å; W297-W336 VanDerWaalsContact CG-CE2 3.46Å; W297-W336 HydrophobicContact CG-CH2 4.39Å; W297-W336 AromaticContact CG-CZ2 3.59Å; W297-W336 HydrophobicContact CG-CZ2 3.59Å; W297-W336 AromaticContact CG-NE1 3.52Å; W297-W336 AromaticContact CH2-CD1 3.64Å; W297-W336 AromaticContact CH2-NE1 3.97Å; W297-W336 AromaticContact CZ2-CD1 3.82Å; W297-W336 AromaticContact CZ2-NE1 3.64Å; W297-W336 AromaticContact CZ3-CD1 3.35Å; W297-W336 HydrophobicContact CZ3-CG 4.03Å; W297-W336 AromaticContact CZ3-NE1 3.9Å; W297-W336 AromaticContact NE1-NE1 3.57Å
298L95.3Very high93.2Very high0 Ų053.5 Ų53.50%028%0.277CS..Iπ-helixtrans-64.5-43.3-178.2-75.3177.5000112.4V294 V295 S303 W336 F337 V372 Q376V294-L298 HydrophobicContact CG1-CD1 3.63Å; V294-L298 HydrophobicContact CG1-CG 4.24Å; V294-L298 WeakPolarHBondContact O-CB 3.45Å; V294-L298 WeakPolarHBondContact O-CG 3.46Å; V294-L298 PolarHBondContact O-N 3.08Å; V295-L298 PolarHBondContact O-N 2.82Å; L298-S303 PolarHBondContact O-N 3.37Å; L298-S303 VanDerWaalsContact O-N 3.09Å; L298-S303 PolarHBondContact O-OG 3.25Å; L298-W336 HydrophobicContact CD2-CB 4.47Å; L298-F337 HydrophobicContact CD2-CE1 4.34Å; L298-V372 HydrophobicContact CB-CG1 3.55Å; L298-V372 HydrophobicContact CD1-CG1 3.82Å; L298-V372 HydrophobicContact CG-CG1 4.35Å; L298-Q376 HydrophobicContact CB-CG 3.98Å; L298-Q376 HydrophobicContact CD2-CB 4.31Å; L298-Q376 HydrophobicContact CD2-CG 4.06Å; L298-Q376 HydrophobicContact CG-CG 4.44Å; L298-Q376 PolarHBondContact O-NE2 3.42Å
299Q92.8Very high92.9Very high112 Ų11252 Ų5252%0.52327%0.27SS..Iπ-helixtrans-79.5-21.3178.4-66.5-176-34.800113.5V295 S303 V372V295-Q299 HydrophobicContact CG1-CG 4.4Å; V295-Q299 VanDerWaalsContact CG1-OE1 3.3Å; V295-Q299 WeakPolarHBondContact O-CB 3.23Å; V295-Q299 WeakPolarHBondContact O-CG 3.46Å; V295-Q299 PolarHBondContact O-N 3.21Å; Q299-S303 WeakPolarHBondContact O-CB 3.19Å; Q299-S303 PolarHBondContact O-OG 3.5Å; Q299-V372 HydrophobicContact CG-CG1 3.81Å; Q299-V372 HydrophobicContact CG-CG2 4.14Å
300G93.6Very high92.6Very high30 Ų3050.9 Ų50.931%0.30926%0.259SS..Iπ-helixtrans-98.1-104.5177.100000111.7N296 W297 G302 S303 E304N296-G300 WeakPolarHBondContact O-CA 3.48Å; N296-G300 PolarHBondContact O-N 3.46Å; W297-G300 CarbonylContact O-C 3.57Å; W297-G300 PolarHBondContact O-N 2.97Å; G300-G302 VanDerWaalsContact C-N 3.33Å; G300-G302 PolarHBondContact O-N 3.35Å; G300-S303 PolarHBondContact O-N 3.26Å; G300-E304 PolarHBondContact O-N 2.96Å
301P94.1Very high92.4Very high63 Ų6350.9 Ų50.941%0.40926%0.264SS..Iπ-helixtrans-48.9-45-177.8-28.832.7000115.4W297 E304 L305W297-P301 WeakPolarHBondContact O-CD 3.35Å; P301-E304 PolarHBondContact O-N 2.75Å; P301-L305 WeakPolarHBondContact O-CG 3.39Å; P301-L305 PolarHBondContact O-N 3.09Å
302G92.2Very high92.3Very high0 Ų050.9 Ų50.90%026%0.264CS..Iπ-helixtrans-60.4-47.9-179.600000112.2W297 G300 E304 L305 L306 H333W297-G302 PolarHBondContact O-N 2.69Å; G300-G302 VanDerWaalsContact C-N 3.33Å; G300-G302 PolarHBondContact O-N 3.35Å; G302-E304 PolarHBondContact O-N 3.36Å; G302-L305 PolarHBondContact O-N 3.45Å; G302-L306 PolarHBondContact O-N 3.37Å; G302-H333 WeakPolarHBondContact CA-NE2 3.5Å
303S91.1Very high92.3Very high12 Ų1249.3 Ų49.38%0.08426%0.261CS..Hα-helixtrans-64.5-36.7175.3-67.40000113L298 Q299 G300 L306 K307 Q376L298-S303 PolarHBondContact O-N 3.37Å; L298-S303 VanDerWaalsContact O-N 3.09Å; L298-S303 PolarHBondContact O-OG 3.25Å; Q299-S303 WeakPolarHBondContact O-CB 3.19Å; Q299-S303 PolarHBondContact O-OG 3.5Å; G300-S303 PolarHBondContact O-N 3.26Å; S303-L306 PolarHBondContact O-N 3.46Å; S303-K307 VanDerWaalsContact O-CG 3.31Å; S303-K307 WeakPolarHBondContact O-CG 3.36Å; S303-K307 PolarHBondContact O-N 2.95Å; S303-Q376 PolarHBondContact OG-NE2 2.85Å
304E90.2Very high92.3Very high127 Ų12749.6 Ų49.659%0.59327%0.266SS*.Hα-helixtrans-67.4-38.9178.1-170.4175.3-176.500112.2G300 P301 G302 L306 K307 T308G300-E304 PolarHBondContact O-N 2.96Å; P301-E304 PolarHBondContact O-N 2.75Å; G302-E304 PolarHBondContact O-N 3.36Å; E304-L306 VanDerWaalsContact C-N 3.28Å; E304-L306 PolarHBondContact O-N 3.09Å; E304-K307 PolarHBondContact O-N 3.2Å; E304-T308 HydrophobicContact CG-CG2 4.38Å; E304-T308 WeakPolarHBondContact O-CG2 3.36Å; E304-T308 PolarHBondContact O-N 3.16Å; E304-T308 PolarHBondContact O-OG1 2.9Å; E304-T308 VanDerWaalsContact O-OG1 3.09Å
305L91.7Very high92.3Very high54 Ų5451.8 Ų51.828%0.28328%0.281SS..Hα-helixtrans-57.8-41.7173.4-72.1170.3000111.5P301 G302 T308 Q309 I329P301-L305 WeakPolarHBondContact O-CG 3.39Å; P301-L305 PolarHBondContact O-N 3.09Å; G302-L305 PolarHBondContact O-N 3.45Å; L305-T308 PolarHBondContact O-OG1 2.69Å; L305-Q309 VanDerWaalsContact O-CG 3.32Å; L305-Q309 WeakPolarHBondContact O-CG 3.37Å; L305-I329 HydrophobicContact CB-CD1 4.43Å; L305-I329 HydrophobicContact CB-CG2 4.29Å
306L88.9Confident92.4Very high8 Ų854 Ų544%0.04229%0.292CS..Hα-helixtrans-71-43176.5-64.6175.6000112.1G302 S303 E304 T308 Q309 Q310 I329 Q379 L380G302-L306 PolarHBondContact O-N 3.37Å; S303-L306 PolarHBondContact O-N 3.46Å; E304-L306 VanDerWaalsContact C-N 3.28Å; E304-L306 PolarHBondContact O-N 3.09Å; L306-T308 VanDerWaalsContact C-N 3.3Å; L306-T308 PolarHBondContact O-N 3.08Å; L306-Q309 PolarHBondContact O-N 2.95Å; L306-Q309 VanDerWaalsContact O-N 3.17Å; L306-Q310 PolarHBondContact O-NE2 3.26Å; L306-I329 HydrophobicContact CD2-CG2 4.09Å; L306-Q379 HydrophobicContact CD1-CB 3.94Å; L306-L380 HydrophobicContact CD1-CD2 4.22Å; L306-L380 HydrophobicContact CD1-CG 4.31Å; L306-L380 HydrophobicContact CD2-CD2 3.69Å; L306-L380 HydrophobicContact CG-CD2 4.44Å
307K86.7Confident92.5Very high119 Ų11958.5 Ų58.552%0.51730%0.301SS..Hα-helixtrans-61.2-36.1178.7-76.2174.9-178.6179.10113.1S303 E304 Q309 Q310S303-K307 VanDerWaalsContact O-CG 3.31Å; S303-K307 WeakPolarHBondContact O-CG 3.36Å; S303-K307 PolarHBondContact O-N 2.95Å; E304-K307 PolarHBondContact O-N 3.2Å; K307-Q309 VanDerWaalsContact C-N 3.29Å; K307-Q309 PolarHBondContact O-N 2.55Å; K307-Q310 WeakPolarHBondContact O-CG 3.31Å
308T87Confident92.5Very high82 Ų8257.6 Ų57.650%0.50330%0.303SS..THydrogen-bonded Turntrans-80-7.4179.658.50000113.9E304 L305 L306E304-T308 HydrophobicContact CG-CG2 4.38Å; E304-T308 WeakPolarHBondContact O-CG2 3.36Å; E304-T308 PolarHBondContact O-N 3.16Å; E304-T308 PolarHBondContact O-OG1 2.9Å; E304-T308 VanDerWaalsContact O-OG1 3.09Å; L305-T308 PolarHBondContact O-OG1 2.69Å; L306-T308 VanDerWaalsContact C-N 3.3Å; L306-T308 PolarHBondContact O-N 3.08Å
309Q86.6Confident92.6Very high37 Ų3757.6 Ų57.617%0.17330%0.303CS..  trans-121.654.6-174.3-63.8-56.6-58.700112.4L305 L306 K307 K325 I329 R383L305-Q309 VanDerWaalsContact O-CG 3.32Å; L305-Q309 WeakPolarHBondContact O-CG 3.37Å; L306-Q309 PolarHBondContact O-N 2.95Å; L306-Q309 VanDerWaalsContact O-N 3.17Å; K307-Q309 VanDerWaalsContact C-N 3.29Å; K307-Q309 PolarHBondContact O-N 2.55Å; Q309-K325 VanDerWaalsContact OE1-CE 3.29Å; Q309-I329 HydrophobicContact CG-CD1 4.05Å; Q309-R383 PolarHBondContact O-NE 3.03Å; Q309-R383 PolarHBondContact O-NH2 3.36Å
310Q87.6Confident92.8Very high53 Ų5356.4 Ų56.425%0.24830%0.298CS..  trans-94.2-12.2-177.3-63.8-65.3-28.200114.5L306 K307 N476L306-Q310 PolarHBondContact O-NE2 3.26Å; K307-Q310 WeakPolarHBondContact O-CG 3.31Å; Q310-N476 PolarHBondContact O-ND2 3.05Å; Q310-N476 VanDerWaalsContact O-ND2 3.07Å
311T91.8Very high93Very high58 Ų5857.6 Ų57.636%0.35630%0.304SS..  trans-66.2144.6179.8610000112.4L322 R383T311-L322 WeakPolarHBondContact O-CD1 3.24Å; T311-R383 PolarHBondContact O-NH2 2.9Å
312I94.4Very high93.1Very high1 Ų155.8 Ų55.81%0.00529%0.291CS..  trans-97.2-10.6177.565.5172.1000114.2L322 V386 A390 V451 M455 N476 V480I312-L322 VanDerWaalsContact C-CD1 3.47Å; I312-V386 HydrophobicContact CG2-CG1 3.65Å; I312-A390 HydrophobicContact CB-CB 3.92Å; I312-A390 HydrophobicContact CD1-CB 4.45Å; I312-V451 HydrophobicContact CD1-CG1 4.11Å; I312-M455 HydrophobicContact CD1-SD 4.2Å; I312-M455 HydrophobicContact CG2-SD 4.12Å; I312-N476 HydrophobicContact CD1-CB 4.27Å; I312-N476 HydrophobicContact CG1-CB 4.23Å; I312-N476 PolarHBondContact N-OD1 3.01Å; I312-V480 HydrophobicContact CD1-CG2 3.55Å
313G94.4Very high93.4Very high16 Ų1657.8 Ų57.817%0.16530%0.301CS..  trans85.2155.2-174.300000112.8H394G313-H394 PolarHBondContact O-NE2 3.15Å
314D95.1Very high93.7Very high112 Ų11262.3 Ų62.360%0.59932%0.32SS*.SBendtrans-97.70.4-175.765.3-4.9000114.1A318D314-A318 WeakPolarHBondContact OD1-CB 3.49Å
315S97Very high94Very high46 Ų4660.3 Ų60.332%0.32231%0.31SS..SBendtrans-159.5164-17360.60000111.1R317 A318 A319S315-R317 VanDerWaalsContact C-N 3.26Å; S315-R317 PolarHBondContact O-N 3.37Å; S315-A318 PolarHBondContact O-N 3.4Å; S315-A318 WeakPolarHBondContact OG-CB 3.32Å; S315-A318 PolarHBondContact OG-N 3.38Å; S315-A319 WeakPolarHBondContact O-CB 3.29Å; S315-A319 PolarHBondContact O-N 2.85Å
316M97.3Very high94.2Very high50 Ų5058.1 Ų58.125%0.24630%0.298CS..Hα-helixtrans-56.8-41.5178.3-178.2-177.568.400111.6Q320 H391 H394 Q398M316-Q320 WeakPolarHBondContact O-CB 3.46Å; M316-Q320 PolarHBondContact O-N 3.45Å; M316-H391 WeakPolarHBondContact CG-NE2 3.32Å; M316-H391 PolarHBondContact O-CD2 3.49Å; M316-H394 HydrophobicContact CB-CB 4.05Å; M316-Q398 VanDerWaalsContact CE-OE1 3.23Å
317R97.3Very high94.6Very high201 Ų20163.2 Ų63.276%0.75832%0.322SS*.Hα-helixtrans-68.7-41.3178.5-68.6-177.7-178.5154.80.5112.3S315 Q320 A321S315-R317 VanDerWaalsContact C-N 3.26Å; S315-R317 PolarHBondContact O-N 3.37Å; R317-Q320 PolarHBondContact O-N 3.23Å; R317-A321 PolarHBondContact O-N 3.07Å
318A97.3Very high95Very high28 Ų2863.5 Ų63.523%0.23133%0.325CS..Hα-helixtrans-64.6-44.8177.200000111.2D314 S315 Q320 A321 L322D314-A318 WeakPolarHBondContact OD1-CB 3.49Å; S315-A318 PolarHBondContact O-N 3.4Å; S315-A318 WeakPolarHBondContact OG-CB 3.32Å; S315-A318 PolarHBondContact OG-N 3.38Å; A318-Q320 VanDerWaalsContact C-N 3.33Å; A318-Q320 PolarHBondContact O-N 3.2Å; A318-A321 PolarHBondContact O-N 3.23Å; A318-L322 WeakPolarHBondContact O-CG 3.49Å; A318-L322 PolarHBondContact O-N 3.41Å
319A97.4Very high95.4Very high0 Ų059.9 Ų59.90%030%0.302CS..Hα-helixtrans-60.3-41.1175.300000112S315 L322 Q323 H391S315-A319 WeakPolarHBondContact O-CB 3.29Å; S315-A319 PolarHBondContact O-N 2.85Å; A319-L322 PolarHBondContact O-N 3.49Å; A319-Q323 WeakPolarHBondContact O-CG 3.46Å; A319-Q323 PolarHBondContact O-N 3.49Å; A319-H391 HydrophobicContact CB-CB 4.12Å
320Q97.6Very high95.9Very high88 Ų8860.3 Ų60.341%0.41130%0.304SS..Hα-helixtrans-65.2-40.9176.1-170.8175.712.200112.8M316 R317 A318 L322 Q323 Q324M316-Q320 WeakPolarHBondContact O-CB 3.46Å; M316-Q320 PolarHBondContact O-N 3.45Å; R317-Q320 PolarHBondContact O-N 3.23Å; A318-Q320 VanDerWaalsContact C-N 3.33Å; A318-Q320 PolarHBondContact O-N 3.2Å; Q320-L322 VanDerWaalsContact C-N 3.29Å; Q320-L322 PolarHBondContact O-N 3.07Å; Q320-Q323 WeakPolarHBondContact O-CB 3.47Å; Q320-Q323 PolarHBondContact O-N 3.44Å; Q320-Q324 PolarHBondContact O-N 2.91Å; Q320-Q324 VanDerWaalsContact O-N 3.12Å
321A97.6Very high96.3Very high54 Ų5461 Ų6145%0.44632%0.315SS..Hα-helixtrans-63.8-37.4175.600000111.5R317 A318 Q324 K325R317-A321 PolarHBondContact O-N 3.07Å; A318-A321 PolarHBondContact O-N 3.23Å; A321-Q324 PolarHBondContact O-N 3.26Å; A321-K325 PolarHBondContact O-N 3.49Å
322L96.9Very high96.4Very high26 Ų2662 Ų6214%0.13632%0.316CS..Hα-helixtrans-67.3-34.4174.2-70.5165.5000112.4T311 I312 A318 A319 Q320 K325 H326 L387T311-L322 WeakPolarHBondContact O-CD1 3.24Å; I312-L322 VanDerWaalsContact C-CD1 3.47Å; A318-L322 WeakPolarHBondContact O-CG 3.49Å; A318-L322 PolarHBondContact O-N 3.41Å; A319-L322 PolarHBondContact O-N 3.49Å; Q320-L322 VanDerWaalsContact C-N 3.29Å; Q320-L322 PolarHBondContact O-N 3.07Å; L322-K325 PolarHBondContact O-N 3.2Å; L322-H326 WeakPolarHBondContact O-CB 3.48Å; L322-H326 PolarHBondContact O-N 3.5Å; L322-L387 HydrophobicContact CB-CD1 4.38Å; L322-L387 HydrophobicContact CB-CD2 3.7Å; L322-L387 HydrophobicContact CD1-CD2 4.38Å
323Q97.3Very high96.5Very high42 Ų4262 Ų6220%0.19632%0.315CS..Hα-helixtrans-61.5-47.7171.8-74.2176.2-17.400111.9A319 Q320 K325 H326 E327 L387 Q388A319-Q323 WeakPolarHBondContact O-CG 3.46Å; A319-Q323 PolarHBondContact O-N 3.49Å; Q320-Q323 WeakPolarHBondContact O-CB 3.47Å; Q320-Q323 PolarHBondContact O-N 3.44Å; Q323-K325 VanDerWaalsContact C-N 3.29Å; Q323-K325 PolarHBondContact O-N 3.1Å; Q323-H326 WeakPolarHBondContact O-CA 3.39Å; Q323-H326 WeakPolarHBondContact O-CB 3.24Å; Q323-H326 PolarHBondContact O-N 3.3Å; Q323-E327 WeakPolarHBondContact O-CG 3.48Å; Q323-E327 PolarHBondContact O-N 2.66Å; Q323-L387 HydrophobicContact CG-CB 3.67Å; Q323-L387 HydrophobicContact CG-CD1 4.33Å; Q323-L387 HydrophobicContact CG-CG 4.49Å; Q323-L387 PolarHBondContact NE2-O 2.9Å; Q323-L387 VanDerWaalsContact NE2-O 3.16Å; Q323-Q388 VanDerWaalsContact NE2-CA 3.3Å
324Q97.1Very high96.6Very high106 Ų10664.1 Ų64.150%0.49533%0.328SS..Hα-helixtrans-60.4-42.1177.6-69175.2-9.700111.5Q320 A321 H326 E327 E328Q320-Q324 PolarHBondContact O-N 2.91Å; Q320-Q324 VanDerWaalsContact O-N 3.12Å; A321-Q324 PolarHBondContact O-N 3.26Å; Q324-H326 VanDerWaalsContact C-N 3.3Å; Q324-H326 PolarHBondContact O-N 3.44Å; Q324-E327 WeakPolarHBondContact O-CB 3.47Å; Q324-E327 PolarHBondContact O-N 3.28Å; Q324-E328 PolarHBondContact O-N 2.82Å; Q324-E328 VanDerWaalsContact O-N 3.13Å
325K96.3Very high96.5Very high86 Ų8665.1 Ų65.137%0.37433%0.329SS..Hα-helixtrans-64.2-36174.8-170.7176.4-179.1-175.70112.4Q309 A321 L322 Q323 E328 I329Q309-K325 VanDerWaalsContact OE1-CE 3.29Å; A321-K325 PolarHBondContact O-N 3.49Å; L322-K325 PolarHBondContact O-N 3.2Å; Q323-K325 VanDerWaalsContact C-N 3.29Å; Q323-K325 PolarHBondContact O-N 3.1Å; K325-E328 WeakPolarHBondContact O-CB 3.46Å; K325-E328 PolarHBondContact O-N 3.34Å; K325-I329 WeakPolarHBondContact O-CG1 3.46Å; K325-I329 PolarHBondContact O-N 3.29Å
326H96.8Very high96.5Very high8 Ų865.7 Ų65.74%0.03732%0.324CS..Hα-helixtrans-67.9-38.8175.1-175.877000111.8L322 Q323 Q324 E328 I329 E330 L380 R383 L387L322-H326 WeakPolarHBondContact O-CB 3.48Å; L322-H326 PolarHBondContact O-N 3.5Å; Q323-H326 WeakPolarHBondContact O-CA 3.39Å; Q323-H326 WeakPolarHBondContact O-CB 3.24Å; Q323-H326 PolarHBondContact O-N 3.3Å; Q324-H326 VanDerWaalsContact C-N 3.3Å; Q324-H326 PolarHBondContact O-N 3.44Å; H326-E328 VanDerWaalsContact C-N 3.29Å; H326-E328 PolarHBondContact O-N 2.9Å; H326-I329 WeakPolarHBondContact O-CB 3.37Å; H326-I329 PolarHBondContact O-N 3.17Å; H326-I329 VanDerWaalsContact O-N 3.07Å; H326-E330 IonicContact CD2-OE1 2.69Å; H326-E330 PolarHBondContact CD2-OE1 3Å; H326-E330 VanDerWaalsContact CD2-OE1 3.3Å; H326-E330 IonicContact CE1-OE1 3.61Å; H326-E330 VanDerWaalsContact NE2-CD 3.34Å; H326-E330 IonicContact NE2-OE1 3.68Å; H326-E330 PolarHBondContact NE2-OE1 3.48Å; H326-E330 PolarHBondContact O-N 3.3Å; H326-L380 PolarHBondContact CE1-O 3.42Å; H326-L380 PolarHBondContact NE2-O 2.74Å; H326-L380 VanDerWaalsContact NE2-O 3.17Å; H326-R383 WeakPolarHBondContact ND1-CG 3.45Å; H326-L387 HydrophobicContact CB-CD1 3.65Å
327E96.6Very high96.4Very high114 Ų11465.7 Ų65.753%0.53332%0.323SS..Hα-helixtrans-59.4-38.1172.3-69.3169.8-176.300111.9Q323 Q324 I329 E330 S331Q323-E327 WeakPolarHBondContact O-CG 3.48Å; Q323-E327 PolarHBondContact O-N 2.66Å; Q324-E327 WeakPolarHBondContact O-CB 3.47Å; Q324-E327 PolarHBondContact O-N 3.28Å; E327-I329 VanDerWaalsContact C-N 3.34Å; E327-I329 PolarHBondContact O-N 3.4Å; E327-E330 PolarHBondContact O-N 3.46Å; E327-S331 PolarHBondContact O-N 2.95Å
328E96Very high96.4Very high126 Ų12659.1 Ų59.159%0.58931%0.312SS*.Hα-helixtrans-63.7-38.2173.6-67.7174.2-176.500112.3Q324 K325 H326 S331 Q332Q324-E328 PolarHBondContact O-N 2.82Å; Q324-E328 VanDerWaalsContact O-N 3.13Å; K325-E328 WeakPolarHBondContact O-CB 3.46Å; K325-E328 PolarHBondContact O-N 3.34Å; H326-E328 VanDerWaalsContact C-N 3.29Å; H326-E328 PolarHBondContact O-N 2.9Å; E328-S331 PolarHBondContact O-N 3.33Å; E328-Q332 WeakPolarHBondContact O-CG 3.44Å; E328-Q332 PolarHBondContact O-N 3.34Å
329I95.7Very high96.3Very high6 Ų660.2 Ų60.23%0.03132%0.315CS..Hα-helixtrans-69.4-42.5176.2-65.7168.4000110.5L305 L306 Q309 K325 H326 E327 S331 Q332 H333 L380L305-I329 HydrophobicContact CB-CD1 4.43Å; L305-I329 HydrophobicContact CB-CG2 4.29Å; L306-I329 HydrophobicContact CD2-CG2 4.09Å; Q309-I329 HydrophobicContact CG-CD1 4.05Å; K325-I329 WeakPolarHBondContact O-CG1 3.46Å; K325-I329 PolarHBondContact O-N 3.29Å; H326-I329 WeakPolarHBondContact O-CB 3.37Å; H326-I329 PolarHBondContact O-N 3.17Å; H326-I329 VanDerWaalsContact O-N 3.07Å; E327-I329 VanDerWaalsContact C-N 3.34Å; E327-I329 PolarHBondContact O-N 3.4Å; I329-S331 VanDerWaalsContact C-N 3.3Å; I329-S331 PolarHBondContact O-N 3.43Å; I329-Q332 PolarHBondContact O-N 2.85Å; I329-H333 PolarHBondContact O-N 2.85Å; I329-H333 PolarHBondContact O-ND1 2.88Å; I329-L380 HydrophobicContact CG2-CD2 4.08Å
330E96.4Very high96.2Very high46 Ų4661.9 Ų61.922%0.21532%0.322CS..Hα-helixtrans-59.8-41.2174.3-75.6178.7161.900111.4H326 E327 Q332 H333 S334 L380H326-E330 IonicContact CD2-OE1 2.69Å; H326-E330 PolarHBondContact CD2-OE1 3Å; H326-E330 VanDerWaalsContact CD2-OE1 3.3Å; H326-E330 IonicContact CE1-OE1 3.61Å; H326-E330 VanDerWaalsContact NE2-CD 3.34Å; H326-E330 IonicContact NE2-OE1 3.68Å; H326-E330 PolarHBondContact NE2-OE1 3.48Å; H326-E330 PolarHBondContact O-N 3.3Å; E327-E330 PolarHBondContact O-N 3.46Å; E330-Q332 VanDerWaalsContact C-N 3.32Å; E330-Q332 PolarHBondContact O-N 3.49Å; E330-H333 PolarHBondContact O-N 3.33Å; E330-S334 WeakPolarHBondContact O-CB 3.5Å; E330-S334 PolarHBondContact O-N 3.44Å; E330-L380 HydrophobicContact CG-CB 4.44Å; E330-L380 HydrophobicContact CG-CD2 3.9Å
331S95.9Very high96.1Very high66 Ų6662 Ų6246%0.46233%0.328SS..Hα-helixtrans-58.2-44.3175-171.60000111.5E327 E328 I329 H333 S334E327-S331 PolarHBondContact O-N 2.95Å; E328-S331 PolarHBondContact O-N 3.33Å; I329-S331 VanDerWaalsContact C-N 3.3Å; I329-S331 PolarHBondContact O-N 3.43Å; S331-H333 PolarHBondContact O-N 3.12Å; S331-S334 PolarHBondContact O-N 3.39Å; S331-S334 PolarHBondContact O-OG 3.14Å
332Q94.8Very high96Very high81 Ų8164.6 Ų64.638%0.37933%0.331SS..Hα-helixtrans-63.9-40.4177-68.4173.144.700112.1W297 E328 I329 E330 S334W297-Q332 HydrophobicContact CH2-CB 4.19Å; W297-Q332 HydrophobicContact CZ2-CB 4.36Å; E328-Q332 WeakPolarHBondContact O-CG 3.44Å; E328-Q332 PolarHBondContact O-N 3.34Å; I329-Q332 PolarHBondContact O-N 2.85Å; E330-Q332 VanDerWaalsContact C-N 3.32Å; E330-Q332 PolarHBondContact O-N 3.49Å; Q332-S334 VanDerWaalsContact C-N 3.33Å; Q332-S334 PolarHBondContact O-N 2.97Å
333H96.1Very high96Very high0 Ų063.5 Ų63.50%033%0.325CS..Hα-helixtrans-67.5-33.3176.1-7476000112.4W297 G302 I329 E330 S331 E335 W336 F337 L380W297-H333 AromaticContact CH2-CE1 3.96Å; W297-H333 AromaticContact CH2-ND1 3.92Å; W297-H333 AromaticContact CZ3-CD2 3.73Å; W297-H333 AromaticContact CZ3-CG 3.94Å; W297-H333 AromaticContact CZ3-NE2 3.84Å; G302-H333 WeakPolarHBondContact CA-NE2 3.5Å; I329-H333 PolarHBondContact O-N 2.85Å; I329-H333 PolarHBondContact O-ND1 2.88Å; E330-H333 PolarHBondContact O-N 3.33Å; S331-H333 PolarHBondContact O-N 3.12Å; H333-E335 VanDerWaalsContact C-N 3.26Å; H333-E335 PolarHBondContact O-N 3.37Å; H333-W336 PolarHBondContact O-N 3.31Å; H333-W336 VanDerWaalsContact O-N 3.1Å; H333-F337 HydrophobicContact CB-CD2 4.43Å; H333-F337 HydrophobicContact CB-CE2 3.94Å; H333-F337 HydrophobicContact CB-CZ 4.31Å; H333-F337 WeakPolarHBondContact O-CD2 3.19Å; H333-F337 WeakPolarHBondContact O-CG 3.33Å; H333-F337 PolarHBondContact O-N 2.98Å; H333-L380 HydrophobicContact CB-CD1 3.74Å
334S95.8Very high95.9Very high61 Ų6162.7 Ų62.743%0.42732%0.322SS..Hα-helixtrans-61.1-33.4-179.579.50000113.2E330 S331 Q332 W336 F337 A338E330-S334 WeakPolarHBondContact O-CB 3.5Å; E330-S334 PolarHBondContact O-N 3.44Å; S331-S334 PolarHBondContact O-N 3.39Å; S331-S334 PolarHBondContact O-OG 3.14Å; Q332-S334 VanDerWaalsContact C-N 3.33Å; Q332-S334 PolarHBondContact O-N 2.97Å; S334-W336 VanDerWaalsContact C-N 3.34Å; S334-W336 PolarHBondContact O-N 3.44Å; S334-F337 PolarHBondContact O-N 3.46Å; S334-A338 PolarHBondContact O-N 3.48Å
335E94.3Very high95.8Very high132 Ų13264.5 Ų64.562%0.61733%0.331SS*.Hα-helixtrans-62.2-43175.2-64.6-179.5-17800110.9H333 A338 V339H333-E335 VanDerWaalsContact C-N 3.26Å; H333-E335 PolarHBondContact O-N 3.37Å; E335-A338 WeakPolarHBondContact O-CB 3.18Å; E335-A338 PolarHBondContact O-N 3.12Å; E335-V339 PolarHBondContact O-N 2.93Å
336W95.3Very high95.6Very high59 Ų5963.1 Ų63.122%0.22333%0.326CS..Hα-helixtrans-73.1-33.6177-68.7100.1000113Q293 V294 W297 L298 H333 S334 A338 V339 Y340Q293-W336 HydrophobicContact CB-CZ3 4.29Å; V294-W336 HydrophobicContact CB-CE3 4.24Å; V294-W336 HydrophobicContact CG1-CE3 4.41Å; V294-W336 HydrophobicContact CG2-CE3 3.9Å; V294-W336 HydrophobicContact CG2-CZ3 4.17Å; W297-W336 HydrophobicContact CB-CD2 4.27Å; W297-W336 HydrophobicContact CB-CH2 4.16Å; W297-W336 HydrophobicContact CB-CZ2 3.83Å; W297-W336 AromaticContact CD1-CE2 3.79Å; W297-W336 AromaticContact CD1-CZ2 3.62Å; W297-W336 AromaticContact CD1-NE1 3.76Å; W297-W336 AromaticContact CD2-CD1 3.44Å; W297-W336 VanDerWaalsContact CD2-CD1 3.44Å; W297-W336 HydrophobicContact CD2-CD2 4.14Å; W297-W336 AromaticContact CD2-CE2 3.57Å; W297-W336 HydrophobicContact CD2-CG 4.05Å; W297-W336 HydrophobicContact CD2-CZ2 4.19Å; W297-W336 AromaticContact CD2-NE1 3.11Å; W297-W336 AromaticContact CE2-CD1 3.71Å; W297-W336 AromaticContact CE2-CE2 3.98Å; W297-W336 AromaticContact CE2-NE1 3.18Å; W297-W336 HydrophobicContact CE3-CB 4.36Å; W297-W336 AromaticContact CE3-CD1 3.24Å; W297-W336 HydrophobicContact CE3-CD2 4.18Å; W297-W336 AromaticContact CE3-CG 3.68Å; W297-W336 HydrophobicContact CE3-CG 3.68Å; W297-W336 AromaticContact CE3-NE1 3.48Å; W297-W336 HydrophobicContact CG-CD2 4.17Å; W297-W336 AromaticContact CG-CE2 3.46Å; W297-W336 VanDerWaalsContact CG-CE2 3.46Å; W297-W336 HydrophobicContact CG-CH2 4.39Å; W297-W336 AromaticContact CG-CZ2 3.59Å; W297-W336 HydrophobicContact CG-CZ2 3.59Å; W297-W336 AromaticContact CG-NE1 3.52Å; W297-W336 AromaticContact CH2-CD1 3.64Å; W297-W336 AromaticContact CH2-NE1 3.97Å; W297-W336 AromaticContact CZ2-CD1 3.82Å; W297-W336 AromaticContact CZ2-NE1 3.64Å; W297-W336 AromaticContact CZ3-CD1 3.35Å; W297-W336 HydrophobicContact CZ3-CG 4.03Å; W297-W336 AromaticContact CZ3-NE1 3.9Å; W297-W336 AromaticContact NE1-NE1 3.57Å; L298-W336 HydrophobicContact CD2-CB 4.47Å; H333-W336 PolarHBondContact O-N 3.31Å; H333-W336 VanDerWaalsContact O-N 3.1Å; S334-W336 VanDerWaalsContact C-N 3.34Å; S334-W336 PolarHBondContact O-N 3.44Å; W336-A338 VanDerWaalsContact C-N 3.27Å; W336-A338 PolarHBondContact O-N 3.36Å; W336-V339 PolarHBondContact O-N 3.23Å; W336-Y340 PolarHBondContact O-N 3.39Å
337F97.1Very high95.4Very high50 Ų5062.8 Ų62.822%0.21932%0.324CS..Hα-helixtrans-65.7-30.1172-64.9-33.8000112.6L298 H333 S334 Y340 V341 C373 Q376 A377 L380L298-F337 HydrophobicContact CD2-CE1 4.34Å; H333-F337 HydrophobicContact CB-CD2 4.43Å; H333-F337 HydrophobicContact CB-CE2 3.94Å; H333-F337 HydrophobicContact CB-CZ 4.31Å; H333-F337 WeakPolarHBondContact O-CD2 3.19Å; H333-F337 WeakPolarHBondContact O-CG 3.33Å; H333-F337 PolarHBondContact O-N 2.98Å; S334-F337 PolarHBondContact O-N 3.46Å; F337-Y340 WeakPolarHBondContact O-CB 3.49Å; F337-Y340 PolarHBondContact O-N 3.07Å; F337-V341 WeakPolarHBondContact O-CG2 3.28Å; F337-V341 PolarHBondContact O-N 3.3Å; F337-V341 VanDerWaalsContact O-N 3.16Å; F337-C373 HydrophobicContact CD1-CB 4.28Å; F337-C373 HydrophobicContact CE1-CB 4.09Å; F337-Q376 HydrophobicContact CZ-CB 4.39Å; F337-A377 HydrophobicContact CE2-CB 4.5Å; F337-A377 HydrophobicContact CZ-CB 4.06Å; F337-L380 HydrophobicContact CE2-CD1 4.02Å; F337-L380 HydrophobicContact CZ-CD1 4.18Å
338A95.7Very high95.2Very high63 Ų6359.7 Ų59.752%0.52132%0.318SS..Hα-helixtrans-66.8-44.3171.600000111.6S334 E335 W336 Y340 V341 E342S334-A338 PolarHBondContact O-N 3.48Å; E335-A338 WeakPolarHBondContact O-CB 3.18Å; E335-A338 PolarHBondContact O-N 3.12Å; W336-A338 VanDerWaalsContact C-N 3.27Å; W336-A338 PolarHBondContact O-N 3.36Å; A338-Y340 VanDerWaalsContact C-N 3.29Å; A338-Y340 PolarHBondContact O-N 3.02Å; A338-V341 PolarHBondContact O-N 3.08Å; A338-E342 PolarHBondContact O-N 3.1Å; A338-E342 VanDerWaalsContact O-N 3.13Å
339V95.7Very high94.9Very high50 Ų5056.5 Ų56.530%0.30331%0.313SS..Hα-helixtrans-60.2-40.9174.3179.30000110.8V294 E335 W336 V341 E342 L343V294-V339 HydrophobicContact CG2-CB 4.32Å; V294-V339 HydrophobicContact CG2-CG1 3.74Å; E335-V339 PolarHBondContact O-N 2.93Å; W336-V339 PolarHBondContact O-N 3.23Å; V339-V341 PolarHBondContact O-N 3.44Å; V339-E342 PolarHBondContact O-N 3.41Å; V339-L343 HydrophobicContact CG1-CD1 3.86Å; V339-L343 HydrophobicContact CG1-CG 4.19Å; V339-L343 WeakPolarHBondContact O-CB 3.39Å; V339-L343 VanDerWaalsContact O-CG 3.32Å; V339-L343 WeakPolarHBondContact O-CG 3.32Å; V339-L343 PolarHBondContact O-N 3.36Å
340Y95.6Very high94.5Very high36 Ų3657.2 Ų57.214%0.14132%0.317CS..Hα-helixtrans-54.2-48.4173.2156.4-110.1000112.8W336 F337 A338 E342 L343 N344 L369 C373W336-Y340 PolarHBondContact O-N 3.39Å; F337-Y340 WeakPolarHBondContact O-CB 3.49Å; F337-Y340 PolarHBondContact O-N 3.07Å; A338-Y340 VanDerWaalsContact C-N 3.29Å; A338-Y340 PolarHBondContact O-N 3.02Å; Y340-E342 PolarHBondContact O-N 2.82Å; Y340-L343 PolarHBondContact O-N 3.17Å; Y340-N344 WeakPolarHBondContact CE2-ND2 3.36Å; Y340-N344 WeakPolarHBondContact O-CB 3.42Å; Y340-N344 PolarHBondContact O-N 3.45Å; Y340-N344 PolarHBondContact OH-ND2 3.02Å; Y340-N344 VanDerWaalsContact OH-ND2 3.11Å; Y340-L369 HydrophobicContact CD2-CD1 4.33Å; Y340-L369 HydrophobicContact CD2-CD2 3.53Å; Y340-L369 HydrophobicContact CD2-CG 3.53Å; Y340-L369 HydrophobicContact CE2-CD2 4.15Å; Y340-L369 HydrophobicContact CE2-CG 4.06Å; Y340-C373 HydrophobicContact CD2-CB 4.41Å; Y340-C373 HydrophobicContact CE2-CB 4.44Å; Y340-C373 HydrophobicContact CG-CB 4.44Å
341V96Very high94.2Very high91 Ų9156.9 Ų56.955%0.55232%0.316SS*.Hα-helixtrans-62.8-43.7179.81730000110.9F337 A338 V339 N344 Q345F337-V341 WeakPolarHBondContact O-CG2 3.28Å; F337-V341 PolarHBondContact O-N 3.3Å; F337-V341 VanDerWaalsContact O-N 3.16Å; A338-V341 PolarHBondContact O-N 3.08Å; V339-V341 PolarHBondContact O-N 3.44Å; V341-N344 PolarHBondContact O-N 3.3Å; V341-Q345 PolarHBondContact O-N 2.72Å
342E95.9Very high93.7Very high108 Ų10858.7 Ų58.751%0.50533%0.329SS..Hα-helixtrans-61.8-47.4177.7-166-169.8157.600111.5A338 V339 Y340 N344 Q345 Q346A338-E342 PolarHBondContact O-N 3.1Å; A338-E342 VanDerWaalsContact O-N 3.13Å; V339-E342 PolarHBondContact O-N 3.41Å; Y340-E342 PolarHBondContact O-N 2.82Å; E342-N344 VanDerWaalsContact C-N 3.35Å; E342-N344 PolarHBondContact O-N 2.97Å; E342-Q345 WeakPolarHBondContact O-CB 3.33Å; E342-Q345 PolarHBondContact O-N 3.45Å; E342-Q346 WeakPolarHBondContact O-CG 3.41Å; E342-Q346 PolarHBondContact O-N 3.39Å; E342-Q346 PolarHBondContact OE1-NE2 3.3Å
343L95.8Very high93Very high2 Ų258.5 Ų58.51%0.0134%0.341CS..Hα-helixtrans-62.3-41.5177.8-72173.7000112K290 V291 V294 V339 Y340 Q345 Q346 I347 L369K290-L343 HydrophobicContact CB-CD1 3.97Å; K290-L343 HydrophobicContact CB-CD2 3.63Å; K290-L343 HydrophobicContact CB-CG 4.39Å; K290-L343 HydrophobicContact CD-CD2 3.91Å; K290-L343 HydrophobicContact CG-CD2 4.43Å; V291-L343 HydrophobicContact CG2-CD1 4.11Å; V294-L343 HydrophobicContact CG2-CD1 3.87Å; V339-L343 HydrophobicContact CG1-CD1 3.86Å; V339-L343 HydrophobicContact CG1-CG 4.19Å; V339-L343 WeakPolarHBondContact O-CB 3.39Å; V339-L343 VanDerWaalsContact O-CG 3.32Å; V339-L343 WeakPolarHBondContact O-CG 3.32Å; V339-L343 PolarHBondContact O-N 3.36Å; Y340-L343 PolarHBondContact O-N 3.17Å; L343-Q345 VanDerWaalsContact C-N 3.28Å; L343-Q345 PolarHBondContact O-N 3.4Å; L343-Q346 PolarHBondContact O-N 3.16Å; L343-I347 WeakPolarHBondContact O-CB 3.37Å; L343-I347 VanDerWaalsContact O-CG1 3.27Å; L343-I347 WeakPolarHBondContact O-CG1 3.25Å; L343-I347 PolarHBondContact O-N 2.94Å; L343-L369 HydrophobicContact CB-CD2 4.07Å; L343-L369 HydrophobicContact CD1-CD2 4.35Å
344N94.9Very high91.8Very high26 Ų2659.8 Ų59.814%0.13935%0.354CS..Hα-helixtrans-63.5-35.8176.3-104.3-16.9000112.4Y340 V341 E342 A348 Q366Y340-N344 WeakPolarHBondContact CE2-ND2 3.36Å; Y340-N344 WeakPolarHBondContact O-CB 3.42Å; Y340-N344 PolarHBondContact O-N 3.45Å; Y340-N344 PolarHBondContact OH-ND2 3.02Å; Y340-N344 VanDerWaalsContact OH-ND2 3.11Å; V341-N344 PolarHBondContact O-N 3.3Å; E342-N344 VanDerWaalsContact C-N 3.35Å; E342-N344 PolarHBondContact O-N 2.97Å; N344-A348 VanDerWaalsContact O-CB 3.26Å; N344-A348 WeakPolarHBondContact O-CB 3.34Å; N344-A348 PolarHBondContact O-N 3.48Å; N344-Q366 WeakPolarHBondContact OD1-CG 3.45Å; N344-Q366 PolarHBondContact OD1-NE2 3.27Å; N344-Q366 VanDerWaalsContact OD1-NE2 3.15Å
345Q94.4Very high90.6Very high143 Ų14363 Ų6367%0.66836%0.363SS*.Hα-helixtrans-67.2-42174.1-171.2174.41400111.7V341 E342 L343 A348 A349V341-Q345 PolarHBondContact O-N 2.72Å; E342-Q345 WeakPolarHBondContact O-CB 3.33Å; E342-Q345 PolarHBondContact O-N 3.45Å; L343-Q345 VanDerWaalsContact C-N 3.28Å; L343-Q345 PolarHBondContact O-N 3.4Å; Q345-A348 PolarHBondContact O-N 2.72Å; Q345-A349 PolarHBondContact O-N 2.8Å
346Q93.4Very high89.6Confident58 Ų5865 Ų6527%0.27137%0.372SS..Hα-helixtrans-63.5-45.8175.7-68.3175.223.400111.6I287 E342 L343 A348 A349 L350I287-Q346 HydrophobicContact CD1-CB 4.09Å; E342-Q346 WeakPolarHBondContact O-CG 3.41Å; E342-Q346 PolarHBondContact O-N 3.39Å; E342-Q346 PolarHBondContact OE1-NE2 3.3Å; L343-Q346 PolarHBondContact O-N 3.16Å; Q346-A348 PolarHBondContact O-N 2.83Å; Q346-A349 PolarHBondContact O-N 3.39Å; Q346-L350 PolarHBondContact O-N 2.93Å; Q346-L350 VanDerWaalsContact O-N 3.12Å
347I92.9Very high88.6Confident0 Ų070.5 Ų70.50%040%0.4CS..Hα-helixtrans-60.6-45.3175.7-69.1165.3000110.6I287 V291 L343 A349 L350 L351 L362 Q366I287-I347 HydrophobicContact CG2-CD1 4.07Å; I287-I347 HydrophobicContact CG2-CG1 3.73Å; V291-I347 HydrophobicContact CG2-CD1 4.34Å; L343-I347 WeakPolarHBondContact O-CB 3.37Å; L343-I347 VanDerWaalsContact O-CG1 3.27Å; L343-I347 WeakPolarHBondContact O-CG1 3.25Å; L343-I347 PolarHBondContact O-N 2.94Å; I347-A349 VanDerWaalsContact C-N 3.32Å; I347-A349 PolarHBondContact O-N 3.49Å; I347-L350 PolarHBondContact O-N 3.08Å; I347-L351 HydrophobicContact CG2-CD1 3.83Å; I347-L351 HydrophobicContact CG2-CG 4.17Å; I347-L351 WeakPolarHBondContact O-CG 3.4Å; I347-L351 PolarHBondContact O-N 2.98Å; I347-L362 HydrophobicContact CG1-CD2 4.2Å; I347-L362 HydrophobicContact CG2-CB 4.15Å; I347-L362 HydrophobicContact CG2-CD2 4.14Å; I347-Q366 HydrophobicContact CD1-CB 4.41Å; I347-Q366 HydrophobicContact CG2-CB 4.12Å
348A92Very high87.5Confident50 Ų5070.4 Ų70.441%0.41340%0.401SS..Hα-helixtrans-61-39.3178.100000112.6N344 Q345 Q346 L351 S352N344-A348 VanDerWaalsContact O-CB 3.26Å; N344-A348 WeakPolarHBondContact O-CB 3.34Å; N344-A348 PolarHBondContact O-N 3.48Å; Q345-A348 PolarHBondContact O-N 2.72Å; Q346-A348 PolarHBondContact O-N 2.83Å; A348-L351 PolarHBondContact O-N 3.21Å; A348-S352 PolarHBondContact O-N 3.39Å; A348-S352 VanDerWaalsContact O-N 3.17Å
349A90.2Very high87Confident58 Ų5868.8 Ų68.848%0.47938%0.384SS..Hα-helixtrans-62.4-44175.500000111.5Q345 Q346 I347 S352Q345-A349 PolarHBondContact O-N 2.8Å; Q346-A349 PolarHBondContact O-N 3.39Å; I347-A349 VanDerWaalsContact C-N 3.32Å; I347-A349 PolarHBondContact O-N 3.49Å; A349-S352 PolarHBondContact O-N 2.91Å; A349-S352 PolarHBondContact O-OG 2.93Å
350L87.1Confident86.6Confident21 Ų2171.3 Ų71.311%0.1140%0.4CS..Hα-helixtrans-67.7-39.1177.2-69.1178.1000112.7L284 I287 Q346 I347 S352 A353 G354 L362L284-L350 HydrophobicContact CD2-CD1 3.86Å; I287-L350 HydrophobicContact CD1-CD1 3.31Å; I287-L350 HydrophobicContact CD1-CG 4.44Å; Q346-L350 PolarHBondContact O-N 2.93Å; Q346-L350 VanDerWaalsContact O-N 3.12Å; I347-L350 PolarHBondContact O-N 3.08Å; L350-S352 PolarHBondContact O-N 3.45Å; L350-A353 CarbonylContact O-C 3.49Å; L350-A353 PolarHBondContact O-N 3.39Å; L350-A353 VanDerWaalsContact O-N 3.08Å; L350-G354 PolarHBondContact O-N 3.4Å; L350-L362 HydrophobicContact CB-CD1 3.65Å; L350-L362 HydrophobicContact CD1-CD1 4.49Å; L350-L362 HydrophobicContact CD1-CD2 4.28Å
351L88.6Confident86.2Confident39 Ų3974.5 Ų74.520%0.20442%0.416CS..Hα-helixtrans-60.5-33175.9-75.3173.4000112.6I347 A348 A353 V359 L362 K363I347-L351 HydrophobicContact CG2-CD1 3.83Å; I347-L351 HydrophobicContact CG2-CG 4.17Å; I347-L351 WeakPolarHBondContact O-CG 3.4Å; I347-L351 PolarHBondContact O-N 2.98Å; A348-L351 PolarHBondContact O-N 3.21Å; L351-A353 PolarHBondContact O-N 2.83Å; L351-V359 HydrophobicContact CD2-CB 4.12Å; L351-V359 HydrophobicContact CD2-CG1 3.95Å; L351-V359 HydrophobicContact CD2-CG2 4.02Å; L351-L362 HydrophobicContact CD2-CB 3.67Å; L351-L362 HydrophobicContact CD2-CD1 4.06Å; L351-L362 HydrophobicContact CG-CB 4.12Å; L351-L362 HydrophobicContact CG-CD1 4.22Å; L351-K363 HydrophobicContact CD1-CG 4.45Å; L351-K363 HydrophobicContact CD2-CG 4.19Å
352S86.1Confident86Confident105 Ų10570.3 Ų70.373%0.73439%0.39SS*.Hα-helixtrans-70.5-18.7177.776.30000113.8A348 A349 L350A348-S352 PolarHBondContact O-N 3.39Å; A348-S352 VanDerWaalsContact O-N 3.17Å; A349-S352 PolarHBondContact O-N 2.91Å; A349-S352 PolarHBondContact O-OG 2.93Å; L350-S352 PolarHBondContact O-N 3.45Å
353A79.6Confident85.8Confident76 Ų7670.9 Ų70.963%0.62839%0.391SS*.THydrogen-bonded Turntrans-121.46.9-174.900000113.4L350 L351L350-A353 CarbonylContact O-C 3.49Å; L350-A353 PolarHBondContact O-N 3.39Å; L350-A353 VanDerWaalsContact O-N 3.08Å; L351-A353 PolarHBondContact O-N 2.83Å
354G71Confident85.6Confident27 Ų2773.6 Ų73.628%0.27841%0.414SS..  trans-94.3160.5-168.600000115.4L350L350-G354 PolarHBondContact O-N 3.4Å
355E72.2Confident85.5Confident128 Ų12872.9 Ų72.960%0.59841%0.41SS*.  trans-89.3167.1171-62.6-177.8-171.300110.9E357 E358 V359E355-E357 PolarHBondContact O-N 3.28Å; E355-E358 PolarHBondContact N-OE2 2.89Å; E355-E358 VanDerWaalsContact N-OE2 3.16Å; E355-E358 PolarHBondContact O-N 3.03Å; E355-V359 WeakPolarHBondContact O-CB 3.27Å; E355-V359 WeakPolarHBondContact O-CG2 3.38Å; E355-V359 PolarHBondContact O-N 3.2Å; E355-V359 VanDerWaalsContact O-N 3.1Å
356E72.8Confident85.6Confident176 Ų17668.7 Ų68.782%0.82239%0.39SS*.Hα-helixtrans-56.9-41.4-170.2-89.2-173.916200115V359 V360E356-V359 PolarHBondContact O-N 3.12Å; E356-V360 PolarHBondContact O-N 2.69Å
357E72.9Confident85.6Confident174 Ų17471.1 Ų71.181%0.81340%0.402SS*.Hα-helixtrans-70.5-43-175.3-167.4171.2-174.800112.2E355 V359 V360 E361E355-E357 PolarHBondContact O-N 3.28Å; E357-V359 VanDerWaalsContact C-N 3.31Å; E357-V359 PolarHBondContact O-N 3.43Å; E357-V360 PolarHBondContact O-N 3.35Å; E357-E361 PolarHBondContact O-N 3.43Å
358E75.3Confident85.7Confident47 Ų4774.4 Ų74.422%0.2242%0.417CS..Hα-helixtrans-67.8-33.4176.7-57.5167148.400111.8K280 E355 V360 E361 L362K280-E358 VanDerWaalsContact CE-OE1 3.29Å; K280-E358 WeakPolarHBondContact CE-OE1 3.35Å; K280-E358 VanDerWaalsContact CE-OE2 3.24Å; K280-E358 WeakPolarHBondContact CE-OE2 3.26Å; K280-E358 IonicContact NZ-OE1 2.69Å; K280-E358 PolarHBondContact NZ-OE1 3.48Å; K280-E358 VanDerWaalsContact NZ-OE1 3.08Å; K280-E358 IonicContact NZ-OE2 3.58Å; K280-E358 PolarHBondContact NZ-OE2 3.42Å; E355-E358 PolarHBondContact N-OE2 2.89Å; E355-E358 VanDerWaalsContact N-OE2 3.16Å; E355-E358 PolarHBondContact O-N 3.03Å; E358-V360 PolarHBondContact O-N 3.29Å; E358-E361 PolarHBondContact O-N 3.26Å; E358-L362 WeakPolarHBondContact O-CB 2.95Å; E358-L362 WeakPolarHBondContact O-CG 3.42Å; E358-L362 PolarHBondContact O-N 3.01Å
359V84.3Confident85.9Confident29 Ų2972 Ų7218%0.17640%0.397CS..Hα-helixtrans-61.9-33.6176.1164.90000111L351 E355 E356 E357 K363L351-V359 HydrophobicContact CD2-CB 4.12Å; L351-V359 HydrophobicContact CD2-CG1 3.95Å; L351-V359 HydrophobicContact CD2-CG2 4.02Å; E355-V359 WeakPolarHBondContact O-CB 3.27Å; E355-V359 WeakPolarHBondContact O-CG2 3.38Å; E355-V359 PolarHBondContact O-N 3.2Å; E355-V359 VanDerWaalsContact O-N 3.1Å; E356-V359 PolarHBondContact O-N 3.12Å; E357-V359 VanDerWaalsContact C-N 3.31Å; E357-V359 PolarHBondContact O-N 3.43Å; V359-K363 HydrophobicContact CG1-CD 4.05Å; V359-K363 VanDerWaalsContact O-CB 3.28Å; V359-K363 WeakPolarHBondContact O-CB 3.45Å; V359-K363 WeakPolarHBondContact O-CD 3.49Å; V359-K363 WeakPolarHBondContact O-CG 3.32Å; V359-K363 PolarHBondContact O-N 3.22Å; V359-K363 VanDerWaalsContact O-N 3.12Å
360V87.9Confident86.1Confident104 Ų10470 Ų7063%0.6338%0.38SS*.Hα-helixtrans-68.9-47.7176176.40000111E356 E357 E358 K363 A364E356-V360 PolarHBondContact O-N 2.69Å; E357-V360 PolarHBondContact O-N 3.35Å; E358-V360 PolarHBondContact O-N 3.29Å; V360-K363 PolarHBondContact O-N 2.98Å; V360-A364 PolarHBondContact O-N 3.31Å
361E87.8Confident86.5Confident102 Ų10273.2 Ų73.248%0.47740%0.397SS..Hα-helixtrans-63.4-46.9179.8-174.5176.5-172.600112.1E357 E358 K363 A364 L365E357-E361 PolarHBondContact O-N 3.43Å; E358-E361 PolarHBondContact O-N 3.26Å; E361-K363 VanDerWaalsContact C-N 3.32Å; E361-K363 PolarHBondContact O-N 3.43Å; E361-A364 WeakPolarHBondContact O-CB 3.41Å; E361-A364 PolarHBondContact O-N 3.38Å; E361-A364 VanDerWaalsContact O-N 3.12Å; E361-L365 PolarHBondContact O-N 3.44Å
362L90.4Very high86.8Confident3 Ų371.9 Ų71.92%0.01639%0.39CS..Hα-helixtrans-60.9-39.5176.9-78.7172.9000112.4L284 I347 L350 L351 E358 L365 Q366L284-L362 HydrophobicContact CD2-CD1 4.02Å; L284-L362 HydrophobicContact CD2-CD2 3.48Å; L284-L362 VanDerWaalsContact CD2-CD2 3.48Å; L284-L362 HydrophobicContact CD2-CG 3.8Å; I347-L362 HydrophobicContact CG1-CD2 4.2Å; I347-L362 HydrophobicContact CG2-CB 4.15Å; I347-L362 HydrophobicContact CG2-CD2 4.14Å; L350-L362 HydrophobicContact CB-CD1 3.65Å; L350-L362 HydrophobicContact CD1-CD1 4.49Å; L350-L362 HydrophobicContact CD1-CD2 4.28Å; L351-L362 HydrophobicContact CD2-CB 3.67Å; L351-L362 HydrophobicContact CD2-CD1 4.06Å; L351-L362 HydrophobicContact CG-CB 4.12Å; L351-L362 HydrophobicContact CG-CD1 4.22Å; E358-L362 WeakPolarHBondContact O-CB 2.95Å; E358-L362 WeakPolarHBondContact O-CG 3.42Å; E358-L362 PolarHBondContact O-N 3.01Å; L362-L365 PolarHBondContact O-N 3.06Å; L362-Q366 WeakPolarHBondContact O-CB 3.49Å; L362-Q366 PolarHBondContact O-N 3.4Å
363K92.3Very high87.2Confident120 Ų12067.1 Ų67.152%0.52236%0.357SS..Hα-helixtrans-66-38.8174.2-80.1176.9178.5175.90112.1L351 V359 V360 E361 Q366 Q367L351-K363 HydrophobicContact CD1-CG 4.45Å; L351-K363 HydrophobicContact CD2-CG 4.19Å; V359-K363 HydrophobicContact CG1-CD 4.05Å; V359-K363 VanDerWaalsContact O-CB 3.28Å; V359-K363 WeakPolarHBondContact O-CB 3.45Å; V359-K363 WeakPolarHBondContact O-CD 3.49Å; V359-K363 WeakPolarHBondContact O-CG 3.32Å; V359-K363 PolarHBondContact O-N 3.22Å; V359-K363 VanDerWaalsContact O-N 3.12Å; V360-K363 PolarHBondContact O-N 2.98Å; E361-K363 VanDerWaalsContact C-N 3.32Å; E361-K363 PolarHBondContact O-N 3.43Å; K363-Q366 PolarHBondContact O-N 2.9Å; K363-Q367 WeakPolarHBondContact O-CB 3.38Å; K363-Q367 PolarHBondContact O-N 3.45Å
364A92.1Very high87.9Confident59 Ų5971.1 Ų71.149%0.48836%0.357SS..Hα-helixtrans-63.1-45.3176.300000111.3V360 E361 Q367 Q368V360-A364 PolarHBondContact O-N 3.31Å; E361-A364 WeakPolarHBondContact O-CB 3.41Å; E361-A364 PolarHBondContact O-N 3.38Å; E361-A364 VanDerWaalsContact O-N 3.12Å; A364-Q367 PolarHBondContact O-N 2.87Å; A364-Q368 WeakPolarHBondContact O-CB 3.44Å; A364-Q368 PolarHBondContact O-N 3.16Å
365L93.1Very high88.9Confident11 Ų1172.5 Ų72.56%0.05836%0.362CS..Hα-helixtrans-62.1-45.4175-72.2172.7000112.2H288 V291 M292 E361 L362 Q367 Q368 L369H288-L365 HydrophobicContact CB-CD1 4.19Å; V291-L365 HydrophobicContact CB-CD2 4.37Å; V291-L365 HydrophobicContact CG1-CD2 3.94Å; M292-L365 HydrophobicContact CE-CD2 4.17Å; E361-L365 PolarHBondContact O-N 3.44Å; L362-L365 PolarHBondContact O-N 3.06Å; L365-Q367 VanDerWaalsContact C-N 3.33Å; L365-Q367 PolarHBondContact O-N 2.94Å; L365-Q368 PolarHBondContact O-N 3.42Å; L365-L369 VanDerWaalsContact O-CB 3.25Å; L365-L369 WeakPolarHBondContact O-CB 3.46Å; L365-L369 PolarHBondContact O-N 3.13Å
366Q95.1Very high89.9Confident56 Ų5666.7 Ų66.726%0.26234%0.335SS..Hα-helixtrans-59.7-43.1176169.6167.379.700112N344 I347 L362 K363 S370N344-Q366 WeakPolarHBondContact OD1-CG 3.45Å; N344-Q366 PolarHBondContact OD1-NE2 3.27Å; N344-Q366 VanDerWaalsContact OD1-NE2 3.15Å; I347-Q366 HydrophobicContact CD1-CB 4.41Å; I347-Q366 HydrophobicContact CG2-CB 4.12Å; L362-Q366 WeakPolarHBondContact O-CB 3.49Å; L362-Q366 PolarHBondContact O-N 3.4Å; K363-Q366 PolarHBondContact O-N 2.9Å; Q366-S370 WeakPolarHBondContact O-CB 3.46Å; Q366-S370 PolarHBondContact O-N 3.04Å; Q366-S370 PolarHBondContact O-OG 2.86Å
367Q94.9Very high91Very high108 Ų10860.1 Ų60.151%0.50531%0.311SS..Hα-helixtrans-65.2-50.1179.2-172.36351.500110.9K363 A364 L365 L369 S370 D371K363-Q367 WeakPolarHBondContact O-CB 3.38Å; K363-Q367 PolarHBondContact O-N 3.45Å; A364-Q367 PolarHBondContact O-N 2.87Å; L365-Q367 VanDerWaalsContact C-N 3.33Å; L365-Q367 PolarHBondContact O-N 2.94Å; Q367-L369 VanDerWaalsContact C-N 3.3Å; Q367-L369 PolarHBondContact O-N 3Å; Q367-S370 PolarHBondContact O-N 3.34Å; Q367-S370 VanDerWaalsContact O-N 3.14Å; Q367-D371 PolarHBondContact NE2-OD1 2.97Å; Q367-D371 PolarHBondContact NE2-OD2 2.98Å; Q367-D371 WeakPolarHBondContact O-CB 3.49Å; Q367-D371 PolarHBondContact O-N 3.19Å
368Q94.5Very high91.9Very high69 Ų6953.8 Ų53.832%0.32229%0.286SS..Hα-helixtrans-56.5-46178-176-176.47.100111.6V295 A364 L365 D371 V372V295-Q368 HydrophobicContact CG2-CG 4.25Å; A364-Q368 WeakPolarHBondContact O-CB 3.44Å; A364-Q368 PolarHBondContact O-N 3.16Å; L365-Q368 PolarHBondContact O-N 3.42Å; Q368-D371 PolarHBondContact O-N 3.45Å; Q368-V372 WeakPolarHBondContact O-CG2 3.44Å; Q368-V372 PolarHBondContact O-N 3.39Å; Q368-V372 VanDerWaalsContact O-N 3.16Å
369L95Very high92.7Very high1 Ų154.4 Ų54.41%0.00529%0.289CS..Hα-helixtrans-63.4-42.9178.6-174.368.2000111.5V291 V294 Y340 L343 L365 Q367 C373V291-L369 HydrophobicContact CG1-CB 4.28Å; V291-L369 HydrophobicContact CG1-CD1 4.39Å; V291-L369 HydrophobicContact CG2-CD2 4.33Å; V294-L369 HydrophobicContact CB-CD1 3.76Å; V294-L369 HydrophobicContact CG1-CD1 3.62Å; V294-L369 HydrophobicContact CG2-CD1 4.28Å; Y340-L369 HydrophobicContact CD2-CD1 4.33Å; Y340-L369 HydrophobicContact CD2-CD2 3.53Å; Y340-L369 HydrophobicContact CD2-CG 3.53Å; Y340-L369 HydrophobicContact CE2-CD2 4.15Å; Y340-L369 HydrophobicContact CE2-CG 4.06Å; L343-L369 HydrophobicContact CB-CD2 4.07Å; L343-L369 HydrophobicContact CD1-CD2 4.35Å; L365-L369 VanDerWaalsContact O-CB 3.25Å; L365-L369 WeakPolarHBondContact O-CB 3.46Å; L365-L369 PolarHBondContact O-N 3.13Å; Q367-L369 VanDerWaalsContact C-N 3.3Å; Q367-L369 PolarHBondContact O-N 3Å; L369-C373 WeakPolarHBondContact O-CB 3.42Å; L369-C373 PolarHBondContact O-N 3.41Å; L369-C373 VanDerWaalsContact O-N 3.08Å; L369-C373 PolarHBondContact O-SG 3.18Å
370S95.8Very high93.2Very high16 Ų1653.5 Ų53.511%0.11228%0.283CS..Hα-helixtrans-63.8-47.7177.7-58.60000111.4Q366 Q367 V372 C373 Y374Q366-S370 WeakPolarHBondContact O-CB 3.46Å; Q366-S370 PolarHBondContact O-N 3.04Å; Q366-S370 PolarHBondContact O-OG 2.86Å; Q367-S370 PolarHBondContact O-N 3.34Å; Q367-S370 VanDerWaalsContact O-N 3.14Å; S370-V372 PolarHBondContact O-N 3.06Å; S370-C373 PolarHBondContact O-N 3.12Å; S370-Y374 WeakPolarHBondContact O-CB 3.44Å; S370-Y374 WeakPolarHBondContact O-CD2 3.47Å; S370-Y374 PolarHBondContact O-N 3.13Å
371D94.1Very high93.5Very high87 Ų8754 Ų5447%0.46528%0.278SS..Hα-helixtrans-58.8-46-178.3-68.8-21000111.7Q367 Q368 S375Q367-D371 PolarHBondContact NE2-OD1 2.97Å; Q367-D371 PolarHBondContact NE2-OD2 2.98Å; Q367-D371 WeakPolarHBondContact O-CB 3.49Å; Q367-D371 PolarHBondContact O-N 3.19Å; Q368-D371 PolarHBondContact O-N 3.45Å; D371-S375 VanDerWaalsContact O-CB 3.3Å; D371-S375 WeakPolarHBondContact O-CB 3.28Å; D371-S375 PolarHBondContact O-N 2.92Å
372V94.8Very high93.7Very high11 Ų1151.5 Ų51.57%0.06727%0.27CS..Hα-helixtrans-66.7-46.1178.7176.30000111.2V295 L298 Q299 Q368 S370 S375 Q376V295-V372 HydrophobicContact CG1-CG2 4.34Å; V295-V372 HydrophobicContact CG2-CG2 4.41Å; L298-V372 HydrophobicContact CB-CG1 3.55Å; L298-V372 HydrophobicContact CD1-CG1 3.82Å; L298-V372 HydrophobicContact CG-CG1 4.35Å; Q299-V372 HydrophobicContact CG-CG1 3.81Å; Q299-V372 HydrophobicContact CG-CG2 4.14Å; Q368-V372 WeakPolarHBondContact O-CG2 3.44Å; Q368-V372 PolarHBondContact O-N 3.39Å; Q368-V372 VanDerWaalsContact O-N 3.16Å; S370-V372 PolarHBondContact O-N 3.06Å; V372-S375 PolarHBondContact O-N 3.39Å; V372-Q376 WeakPolarHBondContact O-CG 3.34Å; V372-Q376 PolarHBondContact O-N 2.91Å
373C95.6Very high93.8Very high5 Ų551.9 Ų51.93%0.03427%0.272CS..Hα-helixtrans-61.9-45.2178.9-75.20000112.3F337 Y340 L369 S370 Q376 A377F337-C373 HydrophobicContact CD1-CB 4.28Å; F337-C373 HydrophobicContact CE1-CB 4.09Å; Y340-C373 HydrophobicContact CD2-CB 4.41Å; Y340-C373 HydrophobicContact CE2-CB 4.44Å; Y340-C373 HydrophobicContact CG-CB 4.44Å; L369-C373 WeakPolarHBondContact O-CB 3.42Å; L369-C373 PolarHBondContact O-N 3.41Å; L369-C373 VanDerWaalsContact O-N 3.08Å; L369-C373 PolarHBondContact O-SG 3.18Å; S370-C373 PolarHBondContact O-N 3.12Å; C373-Q376 PolarHBondContact O-N 3.37Å; C373-A377 VanDerWaalsContact O-CB 3.3Å; C373-A377 WeakPolarHBondContact O-CB 3.45Å; C373-A377 PolarHBondContact O-N 3.07Å
374Y94.8Very high93.9Very high160 Ų16050 Ų5063%0.62726%0.264SS*.Hα-helixtrans-65.4-40.7178.2-78.8-60.9000112.3S370 A377 S378S370-Y374 WeakPolarHBondContact O-CB 3.44Å; S370-Y374 WeakPolarHBondContact O-CD2 3.47Å; S370-Y374 PolarHBondContact O-N 3.13Å; Y374-A377 PolarHBondContact O-N 3.28Å; Y374-S378 WeakPolarHBondContact O-CB 3.31Å; Y374-S378 PolarHBondContact O-N 2.89Å
375S92Very high94.1Very high56 Ų5649.9 Ų49.939%0.39226%0.256SS..Hα-helixtrans-60.5-48.5176-176.10000111.6D371 V372 S378 Q379D371-S375 VanDerWaalsContact O-CB 3.3Å; D371-S375 WeakPolarHBondContact O-CB 3.28Å; D371-S375 PolarHBondContact O-N 2.92Å; V372-S375 PolarHBondContact O-N 3.39Å; S375-S378 PolarHBondContact O-N 3.31Å; S375-Q379 WeakPolarHBondContact O-CG 3.43Å; S375-Q379 PolarHBondContact O-N 2.9Å; S375-Q379 PolarHBondContact OG-NE2 3.05Å
376Q93.4Very high94.2Very high7 Ų749.5 Ų49.53%0.03325%0.254CS..Hα-helixtrans-65.4-42.3178.3-67.6-59.6-47.100112.5L298 S303 F337 V372 C373 S378 Q379 L380L298-Q376 HydrophobicContact CB-CG 3.98Å; L298-Q376 HydrophobicContact CD2-CB 4.31Å; L298-Q376 HydrophobicContact CD2-CG 4.06Å; L298-Q376 HydrophobicContact CG-CG 4.44Å; L298-Q376 PolarHBondContact O-NE2 3.42Å; S303-Q376 PolarHBondContact OG-NE2 2.85Å; F337-Q376 HydrophobicContact CZ-CB 4.39Å; V372-Q376 WeakPolarHBondContact O-CG 3.34Å; V372-Q376 PolarHBondContact O-N 2.91Å; C373-Q376 PolarHBondContact O-N 3.37Å; Q376-S378 VanDerWaalsContact C-N 3.31Å; Q376-S378 PolarHBondContact O-N 3.36Å; Q376-Q379 PolarHBondContact O-N 3.34Å; Q376-L380 WeakPolarHBondContact O-CG 3.37Å; Q376-L380 PolarHBondContact O-N 3.27Å
377A94.9Very high94.2Very high38 Ų3846.9 Ų46.931%0.31424%0.241SC..Hα-helixtrans-59.3-42.9176.300000111.7F337 C373 Y374 Q379 L380 E381F337-A377 HydrophobicContact CE2-CB 4.5Å; F337-A377 HydrophobicContact CZ-CB 4.06Å; C373-A377 VanDerWaalsContact O-CB 3.3Å; C373-A377 WeakPolarHBondContact O-CB 3.45Å; C373-A377 PolarHBondContact O-N 3.07Å; Y374-A377 PolarHBondContact O-N 3.28Å; A377-Q379 PolarHBondContact O-N 3.28Å; A377-L380 PolarHBondContact O-N 3.37Å; A377-E381 WeakPolarHBondContact O-CB 3.23Å; A377-E381 PolarHBondContact O-N 2.84Å
378S92.4Very high94.3Very high40 Ų4047.4 Ų47.428%0.2824%0.244SC..Hα-helixtrans-64.5-38.8175.7-173.90000112.3Y374 S375 Q376 E381 T382Y374-S378 WeakPolarHBondContact O-CB 3.31Å; Y374-S378 PolarHBondContact O-N 2.89Å; S375-S378 PolarHBondContact O-N 3.31Å; Q376-S378 VanDerWaalsContact C-N 3.31Å; Q376-S378 PolarHBondContact O-N 3.36Å; S378-E381 PolarHBondContact O-N 3.41Å; S378-T382 WeakPolarHBondContact O-CB 3.42Å; S378-T382 VanDerWaalsContact O-CG2 3.22Å; S378-T382 WeakPolarHBondContact O-CG2 3.3Å; S378-T382 PolarHBondContact O-N 3.47Å; S378-T382 PolarHBondContact O-OG1 3.42Å
379Q91.5Very high94.4Very high61 Ų6144.5 Ų44.529%0.28523%0.232SC..Hα-helixtrans-65.8-40.4175.5-70.317740.500112.4L306 S375 Q376 A377 T382 R383L306-Q379 HydrophobicContact CD1-CB 3.94Å; S375-Q379 WeakPolarHBondContact O-CG 3.43Å; S375-Q379 PolarHBondContact O-N 2.9Å; S375-Q379 PolarHBondContact OG-NE2 3.05Å; Q376-Q379 PolarHBondContact O-N 3.34Å; A377-Q379 PolarHBondContact O-N 3.28Å; Q379-T382 WeakPolarHBondContact CA-OG1 3.07Å; Q379-T382 PolarHBondContact O-OG1 3.48Å; Q379-R383 VanDerWaalsContact O-CB 3.28Å; Q379-R383 WeakPolarHBondContact O-CB 3.44Å; Q379-R383 PolarHBondContact O-N 3.08Å
380L94.1Very high94.6Very high9 Ų944.4 Ų44.45%0.04723%0.231CC..Hα-helixtrans-62.2-49.2174.5-71.3163.7000111.3L306 H326 I329 E330 H333 F337 Q376 A377 R383 Q384L306-L380 HydrophobicContact CD1-CD2 4.22Å; L306-L380 HydrophobicContact CD1-CG 4.31Å; L306-L380 HydrophobicContact CD2-CD2 3.69Å; L306-L380 HydrophobicContact CG-CD2 4.44Å; H326-L380 PolarHBondContact CE1-O 3.42Å; H326-L380 PolarHBondContact NE2-O 2.74Å; H326-L380 VanDerWaalsContact NE2-O 3.17Å; I329-L380 HydrophobicContact CG2-CD2 4.08Å; E330-L380 HydrophobicContact CG-CB 4.44Å; E330-L380 HydrophobicContact CG-CD2 3.9Å; H333-L380 HydrophobicContact CB-CD1 3.74Å; F337-L380 HydrophobicContact CE2-CD1 4.02Å; F337-L380 HydrophobicContact CZ-CD1 4.18Å; Q376-L380 WeakPolarHBondContact O-CG 3.37Å; Q376-L380 PolarHBondContact O-N 3.27Å; A377-L380 PolarHBondContact O-N 3.37Å; L380-R383 PolarHBondContact O-N 2.94Å; L380-Q384 WeakPolarHBondContact O-CB 3.38Å; L380-Q384 PolarHBondContact O-N 3Å
381E94.2Very high94.7Very high115 Ų11546 Ų4654%0.53724%0.237SC..Hα-helixtrans-62.5-46.3-179.8-177.7-178.7-167.300111.7A377 S378 R383 Q384 N385A377-E381 WeakPolarHBondContact O-CB 3.23Å; A377-E381 PolarHBondContact O-N 2.84Å; S378-E381 PolarHBondContact O-N 3.41Å; E381-R383 VanDerWaalsContact C-N 3.29Å; E381-R383 PolarHBondContact O-N 2.88Å; E381-Q384 PolarHBondContact O-N 2.97Å; E381-N385 WeakPolarHBondContact O-CB 3.3Å; E381-N385 VanDerWaalsContact O-CG 3.3Å; E381-N385 PolarHBondContact O-N 3.34Å; E381-N385 PolarHBondContact O-ND2 3.15Å; E381-N385 VanDerWaalsContact O-ND2 3.08Å
382T91.7Very high94.9Very high50 Ų5043.2 Ų43.231%0.30723%0.226SC..Hα-helixtrans-61-40.2176.951.90000111.5S378 Q379 N385 V386S378-T382 WeakPolarHBondContact O-CB 3.42Å; S378-T382 VanDerWaalsContact O-CG2 3.22Å; S378-T382 WeakPolarHBondContact O-CG2 3.3Å; S378-T382 PolarHBondContact O-N 3.47Å; S378-T382 PolarHBondContact O-OG1 3.42Å; Q379-T382 WeakPolarHBondContact CA-OG1 3.07Å; Q379-T382 PolarHBondContact O-OG1 3.48Å; T382-N385 PolarHBondContact O-N 2.85Å; T382-V386 WeakPolarHBondContact O-CG2 3.41Å; T382-V386 PolarHBondContact O-N 3.37Å; T382-V386 VanDerWaalsContact O-N 3.07Å
383R93.3Very high95.1Very high11 Ų1142.7 Ų42.74%0.04222%0.223CC..Hα-helixtrans-65.8-43.1176.6-179.560.5179.4120.44.4112.5Q309 T311 H326 Q379 L380 E381 N385 V386 L387Q309-R383 PolarHBondContact O-NE 3.03Å; Q309-R383 PolarHBondContact O-NH2 3.36Å; T311-R383 PolarHBondContact O-NH2 2.9Å; H326-R383 WeakPolarHBondContact ND1-CG 3.45Å; Q379-R383 VanDerWaalsContact O-CB 3.28Å; Q379-R383 WeakPolarHBondContact O-CB 3.44Å; Q379-R383 PolarHBondContact O-N 3.08Å; L380-R383 PolarHBondContact O-N 2.94Å; E381-R383 VanDerWaalsContact C-N 3.29Å; E381-R383 PolarHBondContact O-N 2.88Å; R383-N385 VanDerWaalsContact C-N 3.33Å; R383-N385 PolarHBondContact O-N 3.5Å; R383-V386 PolarHBondContact O-N 3.17Å; R383-L387 PolarHBondContact O-N 3.23Å
384Q95.4Very high95.2Very high80 Ų8042.9 Ų42.937%0.37422%0.223SC..Hα-helixtrans-58.6-46.1175.1-171.618041.400111.1L380 E381 V386 L387 Q388L380-Q384 WeakPolarHBondContact O-CB 3.38Å; L380-Q384 PolarHBondContact O-N 3Å; E381-Q384 PolarHBondContact O-N 2.97Å; Q384-V386 PolarHBondContact O-N 3.27Å; Q384-L387 PolarHBondContact O-N 3.06Å; Q384-Q388 WeakPolarHBondContact O-CB 3.48Å; Q384-Q388 PolarHBondContact O-N 3.39Å
385N95.1Very high95.4Very high57 Ų5737.3 Ų37.331%0.30521%0.208SC..Hα-helixtrans-59.2-45.9177.4-75.1-38.7000112.1E381 T382 R383 L387 Q388 A389 Q454E381-N385 WeakPolarHBondContact O-CB 3.3Å; E381-N385 VanDerWaalsContact O-CG 3.3Å; E381-N385 PolarHBondContact O-N 3.34Å; E381-N385 PolarHBondContact O-ND2 3.15Å; E381-N385 VanDerWaalsContact O-ND2 3.08Å; T382-N385 PolarHBondContact O-N 2.85Å; R383-N385 VanDerWaalsContact C-N 3.33Å; R383-N385 PolarHBondContact O-N 3.5Å; N385-L387 PolarHBondContact O-N 3.29Å; N385-Q388 PolarHBondContact O-N 3.46Å; N385-A389 WeakPolarHBondContact O-CB 3.3Å; N385-A389 PolarHBondContact O-N 2.89Å; N385-Q454 PolarHBondContact O-OE1 3.31Å; N385-Q454 VanDerWaalsContact O-OE1 3.07Å
386V94.8Very high95.7Very high2 Ų235.1 Ų35.11%0.01219%0.192CC..Hα-helixtrans-59.2-45176169.20000111.3I312 T382 R383 Q384 A389 A390 Q454 M455I312-V386 HydrophobicContact CG2-CG1 3.65Å; T382-V386 WeakPolarHBondContact O-CG2 3.41Å; T382-V386 PolarHBondContact O-N 3.37Å; T382-V386 VanDerWaalsContact O-N 3.07Å; R383-V386 PolarHBondContact O-N 3.17Å; Q384-V386 PolarHBondContact O-N 3.27Å; V386-A389 PolarHBondContact O-N 2.94Å; V386-A390 VanDerWaalsContact O-CB 3.3Å; V386-A390 WeakPolarHBondContact O-CB 3.49Å; V386-A390 PolarHBondContact O-N 3.44Å; V386-Q454 HydrophobicContact CG2-CB 3.68Å; V386-M455 HydrophobicContact CG1-CG 3.89Å; V386-M455 HydrophobicContact CG2-CG 4.33Å
387L96.2Very high95.9Very high1 Ų135.5 Ų35.51%0.00520%0.195CC..Hα-helixtrans-65.7-38.9178.2-73.3174.4000112.5L322 Q323 H326 R383 Q384 N385 A390 H391L322-L387 HydrophobicContact CB-CD1 4.38Å; L322-L387 HydrophobicContact CB-CD2 3.7Å; L322-L387 HydrophobicContact CD1-CD2 4.38Å; Q323-L387 HydrophobicContact CG-CB 3.67Å; Q323-L387 HydrophobicContact CG-CD1 4.33Å; Q323-L387 HydrophobicContact CG-CG 4.49Å; Q323-L387 PolarHBondContact NE2-O 2.9Å; Q323-L387 VanDerWaalsContact NE2-O 3.16Å; H326-L387 HydrophobicContact CB-CD1 3.65Å; R383-L387 PolarHBondContact O-N 3.23Å; Q384-L387 PolarHBondContact O-N 3.06Å; N385-L387 PolarHBondContact O-N 3.29Å; L387-A390 PolarHBondContact O-N 3.49Å; L387-H391 WeakPolarHBondContact O-CB 3.28Å; L387-H391 PolarHBondContact O-N 3.33Å
388Q97Very high96.1Very high119 Ų11938 Ų3856%0.55620%0.2SC*.Hα-helixtrans-64.6-44176.3-168.1176.56.100111.8Q323 Q384 N385 H391 A392Q323-Q388 VanDerWaalsContact NE2-CA 3.3Å; Q384-Q388 WeakPolarHBondContact O-CB 3.48Å; Q384-Q388 PolarHBondContact O-N 3.39Å; N385-Q388 PolarHBondContact O-N 3.46Å; Q388-H391 PolarHBondContact O-N 3.25Å; Q388-A392 WeakPolarHBondContact O-CB 3.43Å; Q388-A392 PolarHBondContact O-N 2.97Å
389A97.3Very high96.4Very high8 Ų841 Ų417%0.06621%0.21CC..Hα-helixtrans-63.7-43.4174.400000111.5N385 V386 H391 A392 F393 L450 V451N385-A389 WeakPolarHBondContact O-CB 3.3Å; N385-A389 PolarHBondContact O-N 2.89Å; V386-A389 PolarHBondContact O-N 2.94Å; A389-H391 PolarHBondContact O-N 3.03Å; A389-A392 PolarHBondContact O-N 3.17Å; A389-F393 WeakPolarHBondContact O-CB 3.47Å; A389-F393 PolarHBondContact O-N 3.41Å; A389-L450 HydrophobicContact CB-CD2 4.26Å; A389-L450 HydrophobicContact CB-CG 4.32Å; A389-V451 HydrophobicContact CB-CG2 3.61Å; A389-V451 WeakPolarHBondContact O-CG2 3.42Å
390A97.8Very high96.7Very high0 Ų038.2 Ų38.20%020%0.197CC..Hα-helixtrans-62.3-43.8177.900000112.1I312 V386 L387 A392 F393 H394I312-A390 HydrophobicContact CB-CB 3.92Å; I312-A390 HydrophobicContact CD1-CB 4.45Å; V386-A390 VanDerWaalsContact O-CB 3.3Å; V386-A390 WeakPolarHBondContact O-CB 3.49Å; V386-A390 PolarHBondContact O-N 3.44Å; L387-A390 PolarHBondContact O-N 3.49Å; A390-A392 PolarHBondContact O-N 3.36Å; A390-F393 PolarHBondContact O-N 2.92Å; A390-H394 WeakPolarHBondContact O-CB 3.4Å; A390-H394 PolarHBondContact O-CD2 3.16Å; A390-H394 VanDerWaalsContact O-CD2 3.26Å; A390-H394 PolarHBondContact O-N 3.17Å
391H98.3Very high96.9Very high48 Ų4839.1 Ų39.122%0.22220%0.204CC..Hα-helixtrans-60-45.8173.8178.2-85.1000111.5M316 A319 L387 Q388 A389 F393 H394 S395M316-H391 WeakPolarHBondContact CG-NE2 3.32Å; M316-H391 PolarHBondContact O-CD2 3.49Å; A319-H391 HydrophobicContact CB-CB 4.12Å; L387-H391 WeakPolarHBondContact O-CB 3.28Å; L387-H391 PolarHBondContact O-N 3.33Å; Q388-H391 PolarHBondContact O-N 3.25Å; A389-H391 PolarHBondContact O-N 3.03Å; H391-F393 PolarHBondContact O-N 3.11Å; H391-H394 PolarHBondContact O-N 2.91Å; H391-S395 VanDerWaalsContact O-CB 3.27Å; H391-S395 WeakPolarHBondContact O-CB 3.45Å; H391-S395 PolarHBondContact O-N 2.91Å
392A98.4Very high97Very high29 Ų2939.3 Ų39.324%0.2421%0.205CC..Hα-helixtrans-64.3-38.4178.400000112.6Q388 A389 A390 T396 K447Q388-A392 WeakPolarHBondContact O-CB 3.43Å; Q388-A392 PolarHBondContact O-N 2.97Å; A389-A392 PolarHBondContact O-N 3.17Å; A390-A392 PolarHBondContact O-N 3.36Å; A392-T396 PolarHBondContact O-N 3.35Å; A392-T396 VanDerWaalsContact O-N 3.12Å; A392-T396 PolarHBondContact O-OG1 2.92Å; A392-K447 HydrophobicContact CB-CD 4.27Å; A392-K447 WeakPolarHBondContact O-CD 3.46Å; A392-K447 PolarHBondContact O-NZ 2.91Å
393F98.6Very high97.3Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-62.3-51.1174.7168.4-101.4000111.4A389 A390 H391 S395 T396 T397 L444 K447 V451 V480 V483 M484A389-F393 WeakPolarHBondContact O-CB 3.47Å; A389-F393 PolarHBondContact O-N 3.41Å; A390-F393 PolarHBondContact O-N 2.92Å; H391-F393 PolarHBondContact O-N 3.11Å; F393-S395 PolarHBondContact O-N 3.17Å; F393-T396 PolarHBondContact O-N 3.26Å; F393-T397 PolarHBondContact O-N 3.28Å; F393-T397 PolarHBondContact O-OG1 3.31Å; F393-L444 HydrophobicContact CD2-CD1 3.57Å; F393-L444 HydrophobicContact CE2-CD1 3.39Å; F393-L444 HydrophobicContact CE2-CG 4.08Å; F393-L444 HydrophobicContact CG-CD1 4.46Å; F393-L444 HydrophobicContact CZ-CD1 4.14Å; F393-K447 HydrophobicContact CB-CB 4.26Å; F393-K447 HydrophobicContact CD2-CB 4.39Å; F393-V451 HydrophobicContact CB-CG2 4Å; F393-V480 HydrophobicContact CE1-CG1 4.26Å; F393-V480 HydrophobicContact CE1-CG2 4.41Å; F393-V480 HydrophobicContact CE2-CG1 4.1Å; F393-V480 HydrophobicContact CZ-CG1 3.89Å; F393-V483 HydrophobicContact CE1-CB 4.19Å; F393-V483 HydrophobicContact CE1-CG1 3.94Å; F393-V483 HydrophobicContact CZ-CB 3.92Å; F393-V483 HydrophobicContact CZ-CG1 3.68Å; F393-M484 HydrophobicContact CE2-CG 3.76Å; F393-M484 HydrophobicContact CE2-SD 4.35Å; F393-M484 HydrophobicContact CZ-CG 4.08Å
394H98.6Very high97.6Very high9 Ų938.5 Ų38.54%0.04220%0.198CC..Hα-helixtrans-66.1-36.6179.6-77.6-51000113.1G313 M316 A390 H391 T397 Q398 H479G313-H394 PolarHBondContact O-NE2 3.15Å; M316-H394 HydrophobicContact CB-CB 4.05Å; A390-H394 WeakPolarHBondContact O-CB 3.4Å; A390-H394 PolarHBondContact O-CD2 3.16Å; A390-H394 VanDerWaalsContact O-CD2 3.26Å; A390-H394 PolarHBondContact O-N 3.17Å; H391-H394 PolarHBondContact O-N 2.91Å; H394-T397 WeakPolarHBondContact O-CB 3.42Å; H394-T397 PolarHBondContact O-N 2.81Å; H394-Q398 PolarHBondContact O-N 2.89Å; H394-H479 AromaticContact CE1-NE2 3.27Å; H394-H479 PolarHBondContact CE1-NE2 2.76Å; H394-H479 VanDerWaalsContact CE1-NE2 3.27Å; H394-H479 AromaticContact NE2-NE2 3.74Å
395S98.3Very high97.7Very high43 Ų4338.1 Ų38.130%0.30120%0.199SC..Hα-helixtrans-61.1-46.4173.6-179.90000111.5H391 F393 T397 Q398 E399H391-S395 VanDerWaalsContact O-CB 3.27Å; H391-S395 WeakPolarHBondContact O-CB 3.45Å; H391-S395 PolarHBondContact O-N 2.91Å; F393-S395 PolarHBondContact O-N 3.17Å; S395-T397 PolarHBondContact O-N 3.3Å; S395-Q398 PolarHBondContact O-N 3.23Å; S395-E399 PolarHBondContact O-N 2.84Å
396T98.4Very high97.7Very high10 Ų1036.8 Ų36.86%0.06120%0.198CC..Hα-helixtrans-67.4-34.4175.8-68.10000112.6A392 F393 Q398 E399 L400 L444 K447A392-T396 PolarHBondContact O-N 3.35Å; A392-T396 VanDerWaalsContact O-N 3.12Å; A392-T396 PolarHBondContact O-OG1 2.92Å; F393-T396 PolarHBondContact O-N 3.26Å; T396-Q398 VanDerWaalsContact C-N 3.33Å; T396-Q398 PolarHBondContact O-N 3.36Å; T396-E399 PolarHBondContact O-N 3.38Å; T396-L400 WeakPolarHBondContact O-CB 3.45Å; T396-L400 PolarHBondContact O-N 3.29Å; T396-L444 HydrophobicContact CG2-CB 4.08Å; T396-L444 HydrophobicContact CG2-CD1 4.37Å; T396-K447 HydrophobicContact CG2-CD 4.48Å; T396-K447 WeakPolarHBondContact OG1-CD 3.49Å; T396-K447 WeakPolarHBondContact OG1-CE 3.37Å; T396-K447 PolarHBondContact OG1-NZ 3.42Å
397T98.5Very high97.8Very high16 Ų1636.8 Ų36.810%0.09820%0.198CC..Hα-helixtrans-58.2-47.2172.3-57.40000110.8F393 H394 S395 L400 S401 L444 V483 M487F393-T397 PolarHBondContact O-N 3.28Å; F393-T397 PolarHBondContact O-OG1 3.31Å; H394-T397 WeakPolarHBondContact O-CB 3.42Å; H394-T397 PolarHBondContact O-N 2.81Å; S395-T397 PolarHBondContact O-N 3.3Å; T397-L400 PolarHBondContact O-N 3.48Å; T397-S401 WeakPolarHBondContact O-CB 3.36Å; T397-S401 PolarHBondContact O-N 3.01Å; T397-L444 WeakPolarHBondContact OG1-CD1 3.34Å; T397-V483 HydrophobicContact CG2-CG1 3.48Å; T397-V483 VanDerWaalsContact CG2-CG1 3.48Å; T397-M487 HydrophobicContact CG2-CE 3.81Å; T397-M487 HydrophobicContact CG2-CG 4.24Å; T397-M487 HydrophobicContact CG2-SD 4.36Å
398Q98.1Very high97.8Very high89 Ų8939.7 Ų39.742%0.41621%0.213SC..Hα-helixtrans-64.3-42.9179.4-173.7178.810.200112M316 H394 S395 T396 S401 Q402M316-Q398 VanDerWaalsContact CE-OE1 3.23Å; H394-Q398 PolarHBondContact O-N 2.89Å; S395-Q398 PolarHBondContact O-N 3.23Å; T396-Q398 VanDerWaalsContact C-N 3.33Å; T396-Q398 PolarHBondContact O-N 3.36Å; Q398-S401 PolarHBondContact O-N 2.91Å; Q398-Q402 WeakPolarHBondContact O-CG 3.37Å; Q398-Q402 PolarHBondContact O-N 3.44Å; Q398-Q402 VanDerWaalsContact O-N 3.1Å
399E97.9Very high97.6Very high105 Ų10536 Ų3649%0.49121%0.208SC..Hα-helixtrans-62.8-47.7176.9-173.6177.2-174.200111.5S395 T396 S401 Q402 Q403S395-E399 PolarHBondContact O-N 2.84Å; T396-E399 PolarHBondContact O-N 3.38Å; E399-S401 VanDerWaalsContact C-N 3.31Å; E399-S401 PolarHBondContact O-N 2.94Å; E399-Q402 WeakPolarHBondContact O-CB 3.49Å; E399-Q402 PolarHBondContact O-N 3.27Å; E399-Q402 VanDerWaalsContact O-N 3.13Å; E399-Q403 WeakPolarHBondContact O-CG 3.38Å; E399-Q403 PolarHBondContact O-N 2.99Å
400L98.3Very high97.4Very high1 Ų137.3 Ų37.31%0.00521%0.213CC..Hα-helixtrans-61.1-40.2176.7179.959.9000111.6T396 T397 Q402 Q403 L404 V437 L441 L444 M487T396-L400 WeakPolarHBondContact O-CB 3.45Å; T396-L400 PolarHBondContact O-N 3.29Å; T397-L400 PolarHBondContact O-N 3.48Å; L400-Q402 VanDerWaalsContact C-N 3.31Å; L400-Q402 PolarHBondContact O-N 3.46Å; L400-Q403 WeakPolarHBondContact O-CB 3.32Å; L400-Q403 PolarHBondContact O-N 3.42Å; L400-L404 HydrophobicContact CD1-CD1 4.31Å; L400-L404 HydrophobicContact CD1-CG 4.34Å; L400-L404 HydrophobicContact CG-CD1 4.02Å; L400-L404 WeakPolarHBondContact O-CB 3.23Å; L400-L404 WeakPolarHBondContact O-CG 3.33Å; L400-L404 PolarHBondContact O-N 3.19Å; L400-V437 HydrophobicContact CD1-CG1 4.17Å; L400-L441 HydrophobicContact CD2-CB 4.18Å; L400-L441 HydrophobicContact CD2-CD1 3.86Å; L400-L444 HydrophobicContact CD2-CB 4.32Å; L400-L444 HydrophobicContact CD2-CD2 3.79Å; L400-M487 HydrophobicContact CD2-CB 4.02Å; L400-M487 HydrophobicContact CD2-CG 4.35Å
401S98.1Very high97.2Very high29 Ų2937.9 Ų37.920%0.20322%0.216CC..Hα-helixtrans-58.4-43.7174.6-174.20000111.6T397 Q398 E399 L404 D405T397-S401 WeakPolarHBondContact O-CB 3.36Å; T397-S401 PolarHBondContact O-N 3.01Å; Q398-S401 PolarHBondContact O-N 2.91Å; E399-S401 VanDerWaalsContact C-N 3.31Å; E399-S401 PolarHBondContact O-N 2.94Å; S401-L404 PolarHBondContact O-N 3.39Å; S401-D405 VanDerWaalsContact O-CG 3.23Å; S401-D405 PolarHBondContact O-N 3.39Å
402Q97.9Very high96.9Very high119 Ų11939.3 Ų39.356%0.55623%0.23SC*.Hα-helixtrans-66-38.3176.9-68.8173.217.800112.2Q398 E399 L400 D405 G406Q398-Q402 WeakPolarHBondContact O-CG 3.37Å; Q398-Q402 PolarHBondContact O-N 3.44Å; Q398-Q402 VanDerWaalsContact O-N 3.1Å; E399-Q402 WeakPolarHBondContact O-CB 3.49Å; E399-Q402 PolarHBondContact O-N 3.27Å; E399-Q402 VanDerWaalsContact O-N 3.13Å; L400-Q402 VanDerWaalsContact C-N 3.31Å; L400-Q402 PolarHBondContact O-N 3.46Å; Q402-D405 PolarHBondContact O-N 3.47Å; Q402-G406 PolarHBondContact O-N 2.98Å
403Q97.9Very high96.3Very high44 Ų4440.2 Ų40.221%0.20624%0.238CC..Hα-helixtrans-63.2-43.7175-68171.9-0.200111.2E399 L400 G406 L407 T436 V437E399-Q403 WeakPolarHBondContact O-CG 3.38Å; E399-Q403 PolarHBondContact O-N 2.99Å; L400-Q403 WeakPolarHBondContact O-CB 3.32Å; L400-Q403 PolarHBondContact O-N 3.42Å; Q403-G406 CarbonylContact O-C 3.56Å; Q403-G406 PolarHBondContact O-N 3.09Å; Q403-L407 PolarHBondContact O-N 3.46Å; Q403-T436 HydrophobicContact CG-CG2 4.39Å; Q403-V437 HydrophobicContact CB-CG2 4.02Å
404L97.9Very high95.5Very high0 Ų047.4 Ų47.40%028%0.276CS..Hα-helixtrans-64.1-40.6175.2-75.3166.9000112L400 S401 G406 L407 L408 V437 M487 R490 K491L400-L404 HydrophobicContact CD1-CD1 4.31Å; L400-L404 HydrophobicContact CD1-CG 4.34Å; L400-L404 HydrophobicContact CG-CD1 4.02Å; L400-L404 WeakPolarHBondContact O-CB 3.23Å; L400-L404 WeakPolarHBondContact O-CG 3.33Å; L400-L404 PolarHBondContact O-N 3.19Å; S401-L404 PolarHBondContact O-N 3.39Å; L404-G406 VanDerWaalsContact C-N 3.34Å; L404-G406 PolarHBondContact O-N 3.46Å; L404-L407 PolarHBondContact O-N 3.21Å; L404-L408 WeakPolarHBondContact O-CB 3.22Å; L404-L408 PolarHBondContact O-N 3.02Å; L404-V437 HydrophobicContact CD2-CG1 3.62Å; L404-V437 HydrophobicContact CD2-CG2 4.25Å; L404-V437 HydrophobicContact CG-CG1 4.25Å; L404-V437 HydrophobicContact CG-CG2 4.49Å; L404-M487 HydrophobicContact CD1-SD 4.37Å; L404-R490 HydrophobicContact CB-CG 4.44Å; L404-R490 HydrophobicContact CD1-CB 4.06Å; L404-R490 HydrophobicContact CD1-CG 3.98Å; L404-K491 HydrophobicContact CD2-CB 4.12Å
405D97.4Very high94.4Very high72 Ų7247.8 Ų47.839%0.38528%0.279SS..Hα-helixtrans-61.7-43.5173.4-70.3-23.8000111.5S401 Q402 L407 L408 G409 R490S401-D405 VanDerWaalsContact O-CG 3.23Å; S401-D405 PolarHBondContact O-N 3.39Å; Q402-D405 PolarHBondContact O-N 3.47Å; D405-L407 VanDerWaalsContact C-N 3.3Å; D405-L407 PolarHBondContact O-N 3.41Å; D405-L408 PolarHBondContact O-N 3.07Å; D405-G409 PolarHBondContact O-N 2.87Å; D405-R490 IonicContact OD1-CZ 3.21Å; D405-R490 IonicContact OD1-NE 2.82Å; D405-R490 IonicContact OD1-NH2 3.79Å; D405-R490 PolarHBondContact OD1-NH2 2.97Å
406G95.4Very high93.1Very high29 Ų2949.6 Ų49.630%0.29929%0.292SS..Hα-helixtrans-67.7-26.4176.200000114Q402 Q403 L404 K433Q402-G406 PolarHBondContact O-N 2.98Å; Q403-G406 CarbonylContact O-C 3.56Å; Q403-G406 PolarHBondContact O-N 3.09Å; L404-G406 VanDerWaalsContact C-N 3.34Å; L404-G406 PolarHBondContact O-N 3.46Å; G406-K433 PolarHBondContact O-NZ 3.02Å
407L96.8Very high91.6Very high2 Ų251.7 Ų51.71%0.0131%0.306CS..Hα-helixtrans-77-49.6171.9175.861.3000110.2Q403 L404 D405 G409 M410 L411 L430 K433 L434 V437 C494Q403-L407 PolarHBondContact O-N 3.46Å; L404-L407 PolarHBondContact O-N 3.21Å; D405-L407 VanDerWaalsContact C-N 3.3Å; D405-L407 PolarHBondContact O-N 3.41Å; L407-G409 VanDerWaalsContact C-N 3.28Å; L407-G409 PolarHBondContact O-N 3.46Å; L407-M410 WeakPolarHBondContact O-CA 3.48Å; L407-M410 WeakPolarHBondContact O-CB 3.4Å; L407-M410 PolarHBondContact O-N 3.11Å; L407-L411 HydrophobicContact CD1-CD1 4.19Å; L407-L411 HydrophobicContact CD1-CG 4.22Å; L407-L411 HydrophobicContact CG-CD1 3.91Å; L407-L411 HydrophobicContact CG-CG 4.38Å; L407-L411 WeakPolarHBondContact O-CG 3.35Å; L407-L411 PolarHBondContact O-N 2.9Å; L407-L430 HydrophobicContact CD1-CD1 3.62Å; L407-K433 HydrophobicContact CD1-CB 4.27Å; L407-L434 HydrophobicContact CD1-CD2 4.27Å; L407-L434 HydrophobicContact CD2-CD2 3.84Å; L407-V437 HydrophobicContact CD2-CG2 4.23Å; L407-C494 HydrophobicContact CD2-CB 3.78Å; L407-C494 HydrophobicContact CG-CB 4.34Å
408L95.9Very high90.3Very high61 Ų6154.4 Ų54.432%0.31933%0.329SS..Hα-helixtrans-56.7-43.3177.9-177.963.3000111.6L404 D405 M410 L411 C412 M497L404-L408 WeakPolarHBondContact O-CB 3.22Å; L404-L408 PolarHBondContact O-N 3.02Å; D405-L408 PolarHBondContact O-N 3.07Å; L408-M410 VanDerWaalsContact C-N 3.31Å; L408-M410 PolarHBondContact O-N 3.42Å; L408-L411 PolarHBondContact O-N 3.26Å; L408-C412 WeakPolarHBondContact O-CB 3.38Å; L408-C412 PolarHBondContact O-N 3.08Å; L408-C412 PolarHBondContact O-SG 3.43Å; L408-M497 HydrophobicContact CD1-CE 4.42Å; L408-M497 HydrophobicContact CD1-SD 3.98Å
409G94.3Very high89.4Confident43 Ų4353.2 Ų53.244%0.44333%0.326SS..Hα-helixtrans-58.3-40.7174.700000112.8D405 L407 A413D405-G409 PolarHBondContact O-N 2.87Å; L407-G409 VanDerWaalsContact C-N 3.28Å; L407-G409 PolarHBondContact O-N 3.46Å; G409-A413 VanDerWaalsContact O-CB 3.32Å; G409-A413 WeakPolarHBondContact O-CB 3.49Å; G409-A413 PolarHBondContact O-N 2.95Å
410M92.4Very high88.8Confident35 Ų3548.9 Ų48.917%0.17231%0.31CS..Hα-helixtrans-68.6-39176179.3-179.4-72.200112.7L407 L408 C412 L429 L430 K433 R501L407-M410 WeakPolarHBondContact O-CA 3.48Å; L407-M410 WeakPolarHBondContact O-CB 3.4Å; L407-M410 PolarHBondContact O-N 3.11Å; L408-M410 VanDerWaalsContact C-N 3.31Å; L408-M410 PolarHBondContact O-N 3.42Å; M410-C412 VanDerWaalsContact C-N 3.33Å; M410-L429 HydrophobicContact CE-CB 4.41Å; M410-L429 HydrophobicContact CE-CD2 3.45Å; M410-L429 VanDerWaalsContact CE-CD2 3.45Å; M410-L429 HydrophobicContact CE-CG 3.7Å; M410-L430 HydrophobicContact SD-CB 3.9Å; M410-L430 HydrophobicContact SD-CD1 3.92Å; M410-K433 HydrophobicContact CE-CD 3.55Å; M410-K433 HydrophobicContact SD-CD 4.03Å; M410-R501 PolarHBondContact O-NH2 3.07Å
411L93.5Very high88.4Confident11 Ų1151.8 Ų51.86%0.05833%0.333CS..Hα-helixtrans-65.9-38.4178-65.8171000111.1L407 L408 L430 C494 M497 V498 R501L407-L411 HydrophobicContact CD1-CD1 4.19Å; L407-L411 HydrophobicContact CD1-CG 4.22Å; L407-L411 HydrophobicContact CG-CD1 3.91Å; L407-L411 HydrophobicContact CG-CG 4.38Å; L407-L411 WeakPolarHBondContact O-CG 3.35Å; L407-L411 PolarHBondContact O-N 2.9Å; L408-L411 PolarHBondContact O-N 3.26Å; L411-L430 HydrophobicContact CD2-CD1 3.95Å; L411-C494 HydrophobicContact CD1-CB 3.99Å; L411-C494 WeakPolarHBondContact CD1-O 3.38Å; L411-M497 HydrophobicContact CB-CE 4.43Å; L411-M497 HydrophobicContact CD1-CB 4.16Å; L411-V498 HydrophobicContact CD1-CG2 4.04Å; L411-V498 HydrophobicContact CD2-CB 4.4Å; L411-V498 HydrophobicContact CD2-CG2 3.81Å; L411-R501 HydrophobicContact CD2-CB 3.72Å; L411-R501 HydrophobicContact CD2-CG 3.92Å
412C91.1Very high88Confident78 Ų7852.6 Ų52.653%0.52734%0.339SS..Hα-helixtrans-83.7-23.9-179-620000114.4L408 M410L408-C412 WeakPolarHBondContact O-CB 3.38Å; L408-C412 PolarHBondContact O-N 3.08Å; L408-C412 PolarHBondContact O-SG 3.43Å; M410-C412 VanDerWaalsContact C-N 3.33Å
413A87.8Confident87.6Confident48 Ų4847 Ų4740%0.39731%0.313SS..SBendtrans-63.3145.2-178.900000111.7G409 V415 R501G409-A413 VanDerWaalsContact O-CB 3.32Å; G409-A413 WeakPolarHBondContact O-CB 3.49Å; G409-A413 PolarHBondContact O-N 2.95Å; A413-V415 PolarHBondContact O-N 2.87Å; A413-R501 PolarHBondContact O-NH1 3.43Å; A413-R501 PolarHBondContact O-NH2 2.94Å
414D80.6Confident87.3Confident151 Ų15150.3 Ų50.381%0.80733%0.329SS*.  trans-68.1135.3174.1-76.5-45.6000111.9S416D414-S416 PolarHBondContact O-N 2.87Å
415V74.7Confident87Confident17 Ų1756.9 Ų56.910%0.10336%0.359CS..  trans-82.8111.6168.8-161.80000108.3A413 I423 R501 K504 M505 M508A413-V415 PolarHBondContact O-N 2.87Å; V415-I423 HydrophobicContact CG1-CD1 3.37Å; V415-R501 VanDerWaalsContact CG2-NH1 3.3Å; V415-K504 HydrophobicContact CG2-CD 4.43Å; V415-M505 HydrophobicContact CG2-CG 4.07Å; V415-M508 HydrophobicContact CB-CE 4.18Å; V415-M508 HydrophobicContact CB-SD 3.75Å; V415-M508 HydrophobicContact CG1-CE 3.57Å; V415-M508 HydrophobicContact CG1-SD 3.44Å; V415-M508 WeakPolarHBondContact CG1-SD 3.47Å; V415-M508 HydrophobicContact CG2-SD 4.41Å
416S72.3Confident86.8Confident81 Ų8156.8 Ų56.857%0.56636%0.359SS*.  trans-77.8132.9170.6172.50000110.6D414 A418D414-S416 PolarHBondContact O-N 2.87Å; S416-A418 PolarHBondContact O-N 3.28Å
417P67Low86.7Confident55 Ų5556.5 Ų56.536%0.35735%0.35SS..  trans-78.765.1173.734.1-34.2000110.8M508P417-M508 VanDerWaalsContact CA-CE 3.48Å; P417-M508 HydrophobicContact CB-CE 3.78Å
418A70.2Confident86.6Confident72 Ų7262.3 Ų62.360%0.59538%0.375SS*.SBendtrans-76.2-61.5179.500000111.4S416S416-A418 PolarHBondContact O-N 3.28Å
419D80.5Confident86.5Confident65 Ų6562.6 Ų62.635%0.34838%0.377SS..  trans-159.3153179.766.5-35.8000111.4A421 S422 I423 F512D419-A421 VanDerWaalsContact C-N 3.29Å; D419-A421 PolarHBondContact O-N 2.84Å; D419-S422 PolarHBondContact O-N 3.46Å; D419-S422 WeakPolarHBondContact OD1-CB 3.47Å; D419-S422 PolarHBondContact OD1-OG 3.48Å; D419-S422 PolarHBondContact OD2-OG 3.23Å; D419-I423 WeakPolarHBondContact O-CG1 3.12Å; D419-I423 PolarHBondContact O-N 3.02Å; D419-F512 VanDerWaalsContact CA-CZ 3.41Å
420G84.9Confident86.6Confident14 Ų1460.6 Ų60.614%0.14436%0.356CS..Hα-helixtrans-61.3-34.3-176.200000114I423 Q424 F512G420-I423 PolarHBondContact O-N 3.49Å; G420-Q424 WeakPolarHBondContact O-CG 3.41Å; G420-Q424 PolarHBondContact O-N 3.34Å; G420-F512 VanDerWaalsContact CA-CD2 3.48Å
421A88.7Confident86.7Confident61 Ų6163 Ų6350%0.50437%0.367SS..Hα-helixtrans-65.8-45.3179.800000112.1D419 I423 Q424 Q425D419-A421 VanDerWaalsContact C-N 3.29Å; D419-A421 PolarHBondContact O-N 2.84Å; A421-I423 VanDerWaalsContact C-N 3.29Å; A421-I423 PolarHBondContact O-N 3.49Å; A421-Q424 PolarHBondContact O-N 3.1Å; A421-Q425 PolarHBondContact O-N 3.4Å
422S89.7Confident86.9Confident46 Ų4666.4 Ų66.432%0.32238%0.383SS..Hα-helixtrans-63.9-35176.1-59.30000112.4D419 Q425 N426D419-S422 PolarHBondContact O-N 3.46Å; D419-S422 WeakPolarHBondContact OD1-CB 3.47Å; D419-S422 PolarHBondContact OD1-OG 3.48Å; D419-S422 PolarHBondContact OD2-OG 3.23Å; S422-Q425 PolarHBondContact O-N 3.48Å; S422-N426 WeakPolarHBondContact O-CB 3.46Å; S422-N426 VanDerWaalsContact O-CG 3.26Å; S422-N426 PolarHBondContact O-N 3.48Å; S422-N426 PolarHBondContact O-ND2 2.9Å
423I90.8Very high87.1Confident2 Ų265.5 Ų65.51%0.0137%0.369CS..Hα-helixtrans-66.3-43.7175.5-58.6-48.8000111.3V415 D419 G420 A421 Q425 N426 L427 M505 M508 V509 F512V415-I423 HydrophobicContact CG1-CD1 3.37Å; D419-I423 WeakPolarHBondContact O-CG1 3.12Å; D419-I423 PolarHBondContact O-N 3.02Å; G420-I423 PolarHBondContact O-N 3.49Å; A421-I423 VanDerWaalsContact C-N 3.29Å; A421-I423 PolarHBondContact O-N 3.49Å; I423-Q425 VanDerWaalsContact C-N 3.33Å; I423-Q425 PolarHBondContact O-N 2.91Å; I423-N426 PolarHBondContact O-N 2.64Å; I423-L427 WeakPolarHBondContact O-CB 3.37Å; I423-L427 PolarHBondContact O-N 2.89Å; I423-M505 HydrophobicContact CG2-CB 3.92Å; I423-M505 HydrophobicContact CG2-CE 4.45Å; I423-M505 HydrophobicContact CG2-CG 4.38Å; I423-M505 WeakPolarHBondContact CG2-O 3.4Å; I423-M505 WeakPolarHBondContact O-CE 3.42Å; I423-M508 HydrophobicContact CD1-CE 3.75Å; I423-M508 HydrophobicContact CD1-SD 4.5Å; I423-M508 HydrophobicContact CG1-CB 4.41Å; I423-M508 HydrophobicContact CG1-CE 4.05Å; I423-M508 HydrophobicContact CG2-CB 4.11Å; I423-V509 HydrophobicContact CB-CG2 4.17Å; I423-V509 HydrophobicContact CG2-CG2 3.7Å; I423-F512 HydrophobicContact CG1-CE2 4.43Å
424Q92.1Very high87.6Confident114 Ų11464.7 Ų64.753%0.53336%0.358SS..Hα-helixtrans-61.4-42.1175.1-72.9178.3-8.800111.6G420 A421 L427 K428 V509G420-Q424 WeakPolarHBondContact O-CG 3.41Å; G420-Q424 PolarHBondContact O-N 3.34Å; A421-Q424 PolarHBondContact O-N 3.1Å; Q424-L427 WeakPolarHBondContact O-CB 3.44Å; Q424-L427 PolarHBondContact O-N 3.35Å; Q424-K428 PolarHBondContact O-N 3.42Å; Q424-V509 HydrophobicContact CG-CG1 4.02Å; Q424-V509 HydrophobicContact CG-CG2 3.66Å
425Q91.9Very high88.3Confident138 Ų13864.1 Ų64.165%0.64535%0.351SS*.Hα-helixtrans-62.5-44.3175.6-175.4177.9-0.200111.8A421 S422 I423 L427 K428 L429A421-Q425 PolarHBondContact O-N 3.4Å; S422-Q425 PolarHBondContact O-N 3.48Å; I423-Q425 VanDerWaalsContact C-N 3.33Å; I423-Q425 PolarHBondContact O-N 2.91Å; Q425-L427 VanDerWaalsContact C-N 3.26Å; Q425-L427 PolarHBondContact O-N 3.44Å; Q425-K428 PolarHBondContact O-N 2.84Å; Q425-L429 WeakPolarHBondContact O-CB 3.27Å; Q425-L429 PolarHBondContact O-N 3.48Å
426N91.6Very high89.4Confident70 Ų7066.5 Ų66.537%0.37437%0.365SS..Hα-helixtrans-63-34.4176-74.3-26.6000111.8S422 I423 L429 L430 M505S422-N426 WeakPolarHBondContact O-CB 3.46Å; S422-N426 VanDerWaalsContact O-CG 3.26Å; S422-N426 PolarHBondContact O-N 3.48Å; S422-N426 PolarHBondContact O-ND2 2.9Å; I423-N426 PolarHBondContact O-N 2.64Å; N426-L429 PolarHBondContact O-N 3.28Å; N426-L430 PolarHBondContact O-N 3Å; N426-M505 HydrophobicContact CB-CE 3.28Å
427L93.4Very high90.6Very high22 Ų2262.8 Ų62.812%0.11534%0.34CS..Hα-helixtrans-68.2-43.7178-170143.2000110.6I423 Q424 Q425 L429 L430 E431 M505 L506I423-L427 WeakPolarHBondContact O-CB 3.37Å; I423-L427 PolarHBondContact O-N 2.89Å; Q424-L427 WeakPolarHBondContact O-CB 3.44Å; Q424-L427 PolarHBondContact O-N 3.35Å; Q425-L427 VanDerWaalsContact C-N 3.26Å; Q425-L427 PolarHBondContact O-N 3.44Å; L427-L429 VanDerWaalsContact C-N 3.34Å; L427-L429 PolarHBondContact O-N 2.89Å; L427-L430 WeakPolarHBondContact O-CB 3.38Å; L427-L430 PolarHBondContact O-N 3.27Å; L427-E431 WeakPolarHBondContact CD2-OE1 3.48Å; L427-E431 WeakPolarHBondContact O-CG 3.48Å; L427-E431 PolarHBondContact O-N 3.38Å; L427-E431 VanDerWaalsContact O-N 3.08Å; L427-M505 HydrophobicContact CB-CE 3.95Å; L427-M505 HydrophobicContact CD1-CB 4.05Å; L427-L506 HydrophobicContact CD1-CD2 3.65Å; L427-L506 HydrophobicContact CD1-CG 3.8Å
428K94.9Very high92.1Very high124 Ų12463.5 Ų63.554%0.53934%0.338SS..Hα-helixtrans-59.4-44.6172.3-170.4-173.2180-161.20111.7Q424 Q425 L430 E431 E432Q424-K428 PolarHBondContact O-N 3.42Å; Q425-K428 PolarHBondContact O-N 2.84Å; K428-L430 VanDerWaalsContact C-N 3.31Å; K428-L430 PolarHBondContact O-N 3.45Å; K428-E431 WeakPolarHBondContact O-CB 3.36Å; K428-E431 PolarHBondContact O-N 3.28Å; K428-E432 WeakPolarHBondContact CE-OE1 3.3Å; K428-E432 IonicContact NZ-OE1 2.64Å; K428-E432 WeakPolarHBondContact O-CG 3.41Å; K428-E432 PolarHBondContact O-N 2.91Å
429L94.9Very high93.4Very high68 Ų6863 Ų6336%0.35633%0.334SS..Hα-helixtrans-63.7-36.1177.9-17666.2000112.3M410 Q425 N426 L427 E432 K433M410-L429 HydrophobicContact CE-CB 4.41Å; M410-L429 HydrophobicContact CE-CD2 3.45Å; M410-L429 VanDerWaalsContact CE-CD2 3.45Å; M410-L429 HydrophobicContact CE-CG 3.7Å; Q425-L429 WeakPolarHBondContact O-CB 3.27Å; Q425-L429 PolarHBondContact O-N 3.48Å; N426-L429 PolarHBondContact O-N 3.28Å; L427-L429 VanDerWaalsContact C-N 3.34Å; L427-L429 PolarHBondContact O-N 2.89Å; L429-E432 PolarHBondContact O-N 3.04Å; L429-K433 WeakPolarHBondContact O-CB 3.41Å; L429-K433 WeakPolarHBondContact O-CG 3.43Å; L429-K433 PolarHBondContact O-N 3.43Å
430L95.1Very high94.2Very high1 Ų160.5 Ų60.51%0.00532%0.323CS..Hα-helixtrans-61.5-45.4172.8176.864.3000110.9L407 M410 L411 N426 L427 K428 K433 L434 R501L407-L430 HydrophobicContact CD1-CD1 3.62Å; M410-L430 HydrophobicContact SD-CB 3.9Å; M410-L430 HydrophobicContact SD-CD1 3.92Å; L411-L430 HydrophobicContact CD2-CD1 3.95Å; N426-L430 PolarHBondContact O-N 3Å; L427-L430 WeakPolarHBondContact O-CB 3.38Å; L427-L430 PolarHBondContact O-N 3.27Å; K428-L430 VanDerWaalsContact C-N 3.31Å; K428-L430 PolarHBondContact O-N 3.45Å; L430-K433 PolarHBondContact O-N 3.02Å; L430-L434 HydrophobicContact CD1-CD1 4.5Å; L430-L434 HydrophobicContact CG-CD1 4.26Å; L430-L434 VanDerWaalsContact O-CG 3.29Å; L430-L434 WeakPolarHBondContact O-CG 3.41Å; L430-L434 PolarHBondContact O-N 3.41Å; L430-R501 HydrophobicContact CD2-CG 4.21Å
431E95.6Very high94.9Very high85 Ų8559.9 Ų59.940%0.39732%0.317SS..Hα-helixtrans-62.3-44.5176.7-68.5173.7173.200112.3L427 K428 K433 L434 Q435L427-E431 WeakPolarHBondContact CD2-OE1 3.48Å; L427-E431 WeakPolarHBondContact O-CG 3.48Å; L427-E431 PolarHBondContact O-N 3.38Å; L427-E431 VanDerWaalsContact O-N 3.08Å; K428-E431 WeakPolarHBondContact O-CB 3.36Å; K428-E431 PolarHBondContact O-N 3.28Å; E431-K433 VanDerWaalsContact C-N 3.34Å; E431-K433 PolarHBondContact O-N 3.44Å; E431-L434 PolarHBondContact O-N 2.93Å; E431-Q435 WeakPolarHBondContact O-CG 3.4Å; E431-Q435 PolarHBondContact O-N 3.3Å
432E96.9Very high95.3Very high83 Ų8359.4 Ų59.439%0.38831%0.31SS..Hα-helixtrans-60.4-42.2175.6-71.8171.9-176.900111.7K428 L429 Q435 T436K428-E432 WeakPolarHBondContact CE-OE1 3.3Å; K428-E432 IonicContact NZ-OE1 2.64Å; K428-E432 WeakPolarHBondContact O-CG 3.41Å; K428-E432 PolarHBondContact O-N 2.91Å; L429-E432 PolarHBondContact O-N 3.04Å; E432-Q435 PolarHBondContact O-N 3.49Å; E432-T436 WeakPolarHBondContact O-CB 3.44Å; E432-T436 PolarHBondContact O-N 3.3Å; E432-T436 PolarHBondContact O-OG1 3.32Å
433K96.2Very high95.7Very high58 Ų5859.1 Ų59.125%0.25231%0.308SS..Hα-helixtrans-65-39.4175.6-80.9-178.6173.7-103.60112.6G406 L407 M410 L429 L430 E431 T436 V437G406-K433 PolarHBondContact O-NZ 3.02Å; L407-K433 HydrophobicContact CD1-CB 4.27Å; M410-K433 HydrophobicContact CE-CD 3.55Å; M410-K433 HydrophobicContact SD-CD 4.03Å; L429-K433 WeakPolarHBondContact O-CB 3.41Å; L429-K433 WeakPolarHBondContact O-CG 3.43Å; L429-K433 PolarHBondContact O-N 3.43Å; L430-K433 PolarHBondContact O-N 3.02Å; E431-K433 VanDerWaalsContact C-N 3.34Å; E431-K433 PolarHBondContact O-N 3.44Å; K433-T436 PolarHBondContact O-N 3.05Å; K433-V437 WeakPolarHBondContact O-CG2 3.34Å; K433-V437 PolarHBondContact O-N 3.04Å
434L96.6Very high96.1Very high31 Ų3159 Ų5916%0.16231%0.307CS..Hα-helixtrans-63.7-44.4176.6-70.5166.8000111.6L407 L430 E431 T436 V437 E438 V498L407-L434 HydrophobicContact CD1-CD2 4.27Å; L407-L434 HydrophobicContact CD2-CD2 3.84Å; L430-L434 HydrophobicContact CD1-CD1 4.5Å; L430-L434 HydrophobicContact CG-CD1 4.26Å; L430-L434 VanDerWaalsContact O-CG 3.29Å; L430-L434 WeakPolarHBondContact O-CG 3.41Å; L430-L434 PolarHBondContact O-N 3.41Å; E431-L434 PolarHBondContact O-N 2.93Å; L434-T436 VanDerWaalsContact C-N 3.31Å; L434-T436 PolarHBondContact O-N 3.37Å; L434-V437 PolarHBondContact O-N 2.81Å; L434-E438 PolarHBondContact O-N 3.31Å; L434-V498 HydrophobicContact CD1-CG1 3.7Å; L434-V498 HydrophobicContact CD1-CG2 4.31Å; L434-V498 HydrophobicContact CD2-CG1 4.44Å; L434-V498 HydrophobicContact CD2-CG2 3.64Å
435Q96.8Very high96.4Very high140 Ų14058.1 Ų58.165%0.65430%0.299SS*.Hα-helixtrans-61.5-40.9174.6-70.6178.43.400111.8E431 E432 E438 A439E431-Q435 WeakPolarHBondContact O-CG 3.4Å; E431-Q435 PolarHBondContact O-N 3.3Å; E432-Q435 PolarHBondContact O-N 3.49Å; Q435-E438 PolarHBondContact O-N 3.26Å; Q435-A439 WeakPolarHBondContact O-CB 3.43Å; Q435-A439 PolarHBondContact O-N 3.46Å
436T97.6Very high96.7Very high66 Ų6658.5 Ų58.541%0.40530%0.301SS..Hα-helixtrans-62.5-45.6177.8-56.20000111.4Q403 E432 K433 L434 A439 G440Q403-T436 HydrophobicContact CG-CG2 4.39Å; E432-T436 WeakPolarHBondContact O-CB 3.44Å; E432-T436 PolarHBondContact O-N 3.3Å; E432-T436 PolarHBondContact O-OG1 3.32Å; K433-T436 PolarHBondContact O-N 3.05Å; L434-T436 VanDerWaalsContact C-N 3.31Å; L434-T436 PolarHBondContact O-N 3.37Å; T436-A439 PolarHBondContact O-N 2.92Å; T436-G440 PolarHBondContact O-N 3.5Å
437V97.9Very high97Very high4 Ų458 Ų582%0.02430%0.295CS..Hα-helixtrans-63.7-42.5177.1166.20000111.5L400 Q403 L404 L407 K433 L434 G440 L441 K491L400-V437 HydrophobicContact CD1-CG1 4.17Å; Q403-V437 HydrophobicContact CB-CG2 4.02Å; L404-V437 HydrophobicContact CD2-CG1 3.62Å; L404-V437 HydrophobicContact CD2-CG2 4.25Å; L404-V437 HydrophobicContact CG-CG1 4.25Å; L404-V437 HydrophobicContact CG-CG2 4.49Å; L407-V437 HydrophobicContact CD2-CG2 4.23Å; K433-V437 WeakPolarHBondContact O-CG2 3.34Å; K433-V437 PolarHBondContact O-N 3.04Å; L434-V437 PolarHBondContact O-N 2.81Å; V437-G440 PolarHBondContact O-N 3.33Å; V437-L441 WeakPolarHBondContact O-CB 3.36Å; V437-L441 PolarHBondContact O-N 3.12Å; V437-K491 HydrophobicContact CG1-CB 4.48Å; V437-K491 HydrophobicContact CG1-CG 3.8Å
438E97.4Very high97.2Very high70 Ų7056.9 Ų56.933%0.32729%0.29SS..Hα-helixtrans-63.8-41.9177.4-173.863.6-133.600112L434 Q435 L441 S442 R445 K491L434-E438 PolarHBondContact O-N 3.31Å; Q435-E438 PolarHBondContact O-N 3.26Å; E438-L441 PolarHBondContact O-N 3.19Å; E438-S442 WeakPolarHBondContact O-CB 3.39Å; E438-S442 PolarHBondContact O-N 3.39Å; E438-S442 PolarHBondContact O-OG 2.82Å; E438-R445 IonicContact OE1-NH2 3.51Å; E438-K491 WeakPolarHBondContact OE2-CE 3.34Å; E438-K491 IonicContact OE2-NZ 2.81Å; E438-K491 PolarHBondContact OE2-NZ 3.29Å
439A97.9Very high97.2Very high61 Ų6154.1 Ų54.150%0.50428%0.283SS..Hα-helixtrans-64.5-43174.200000111.6Q435 T436 S442 S443Q435-A439 WeakPolarHBondContact O-CB 3.43Å; Q435-A439 PolarHBondContact O-N 3.46Å; T436-A439 PolarHBondContact O-N 2.92Å; A439-S442 PolarHBondContact O-N 2.9Å; A439-S443 WeakPolarHBondContact O-CB 3.47Å; A439-S443 PolarHBondContact O-N 3.23Å
440G98Very high97.3Very high12 Ų1254.5 Ų54.512%0.12429%0.285CS..Hα-helixtrans-61.2-42.9176.300000112.6T436 V437 S443 L444T436-G440 PolarHBondContact O-N 3.5Å; V437-G440 PolarHBondContact O-N 3.33Å; G440-S443 PolarHBondContact O-N 3.26Å; G440-L444 WeakPolarHBondContact O-CB 3.41Å; G440-L444 PolarHBondContact O-N 3.3Å
441L98Very high97.3Very high1 Ų154.5 Ų54.51%0.00529%0.285CS..Hα-helixtrans-66-40.9176.3-170.768.9000112.2L400 V437 E438 L444 R445 M487 E488 K491L400-L441 HydrophobicContact CD2-CB 4.18Å; L400-L441 HydrophobicContact CD2-CD1 3.86Å; V437-L441 WeakPolarHBondContact O-CB 3.36Å; V437-L441 PolarHBondContact O-N 3.12Å; E438-L441 PolarHBondContact O-N 3.19Å; L441-L444 PolarHBondContact O-N 3.32Å; L441-R445 WeakPolarHBondContact O-CG 3.42Å; L441-R445 PolarHBondContact O-N 2.88Å; L441-M487 HydrophobicContact CD1-CB 4.22Å; L441-E488 WeakPolarHBondContact CD2-OE2 3.23Å; L441-K491 HydrophobicContact CD2-CB 4.4Å; L441-K491 HydrophobicContact CD2-CD 3.87Å; L441-K491 HydrophobicContact CD2-CG 4.1Å
442S98.1Very high97.2Very high52 Ų5251.8 Ų51.836%0.36427%0.273SS..Hα-helixtrans-64.2-40.6174.4-62.40000112.1E438 A439 R445 Q446E438-S442 WeakPolarHBondContact O-CB 3.39Å; E438-S442 PolarHBondContact O-N 3.39Å; E438-S442 PolarHBondContact O-OG 2.82Å; A439-S442 PolarHBondContact O-N 2.9Å; S442-R445 PolarHBondContact O-N 2.87Å; S442-R445 PolarHBondContact OG-NH2 3.13Å; S442-Q446 PolarHBondContact O-N 3.4Å
443S98.3Very high97Very high40 Ų4053.7 Ų53.728%0.2828%0.282SS..Hα-helixtrans-63.9-43173-1710000112A439 G440 R445 Q446 K447A439-S443 WeakPolarHBondContact O-CB 3.47Å; A439-S443 PolarHBondContact O-N 3.23Å; G440-S443 PolarHBondContact O-N 3.26Å; S443-R445 PolarHBondContact O-N 3.21Å; S443-Q446 PolarHBondContact O-N 2.9Å; S443-K447 WeakPolarHBondContact O-CG 3.34Å; S443-K447 PolarHBondContact O-N 3.38Å
444L98.6Very high96.7Very high0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-58.9-47.2176.1-179.964.3000111.2F393 T396 T397 L400 G440 L441 Q446 K447 G448 M484 M487F393-L444 HydrophobicContact CD2-CD1 3.57Å; F393-L444 HydrophobicContact CE2-CD1 3.39Å; F393-L444 HydrophobicContact CE2-CG 4.08Å; F393-L444 HydrophobicContact CG-CD1 4.46Å; F393-L444 HydrophobicContact CZ-CD1 4.14Å; T396-L444 HydrophobicContact CG2-CB 4.08Å; T396-L444 HydrophobicContact CG2-CD1 4.37Å; T397-L444 WeakPolarHBondContact OG1-CD1 3.34Å; L400-L444 HydrophobicContact CD2-CB 4.32Å; L400-L444 HydrophobicContact CD2-CD2 3.79Å; G440-L444 WeakPolarHBondContact O-CB 3.41Å; G440-L444 PolarHBondContact O-N 3.3Å; L441-L444 PolarHBondContact O-N 3.32Å; L444-Q446 PolarHBondContact O-N 3.49Å; L444-K447 PolarHBondContact O-N 3.35Å; L444-G448 PolarHBondContact O-N 3.05Å; L444-M484 HydrophobicContact CG-CG 4.4Å; L444-M487 HydrophobicContact CD2-CB 3.75Å; L444-M487 HydrophobicContact CD2-CG 3.69Å
445R98.3Very high96.2Very high94 Ų9452.2 Ų52.236%0.35528%0.275SS..Hα-helixtrans-59.2-46.4176.8-74.6-175.4-71.3-1544.2111.8E438 L441 S442 S443 K447 G448 T449 E488E438-R445 IonicContact OE1-NH2 3.51Å; L441-R445 WeakPolarHBondContact O-CG 3.42Å; L441-R445 PolarHBondContact O-N 2.88Å; S442-R445 PolarHBondContact O-N 2.87Å; S442-R445 PolarHBondContact OG-NH2 3.13Å; S443-R445 PolarHBondContact O-N 3.21Å; R445-K447 PolarHBondContact O-N 2.96Å; R445-G448 PolarHBondContact O-N 2.77Å; R445-T449 PolarHBondContact O-N 3.09Å; R445-T449 PolarHBondContact O-OG1 3.08Å; R445-T449 VanDerWaalsContact O-OG1 3.05Å; R445-E488 IonicContact CZ-OE2 3.65Å; R445-E488 IonicContact NH1-OE2 3.88Å; R445-E488 PolarHBondContact NH1-OE2 3.41Å; R445-E488 VanDerWaalsContact NH1-OE2 3.09Å
446Q98.2Very high95.3Very high146 Ų14649.6 Ų49.668%0.68227%0.271SS*.Hα-helixtrans-58.9-46.4177.2-174.9-175.213.900111.9S442 S443 L444 T449 L450S442-Q446 PolarHBondContact O-N 3.4Å; S443-Q446 PolarHBondContact O-N 2.9Å; L444-Q446 PolarHBondContact O-N 3.49Å; Q446-T449 PolarHBondContact O-N 3.05Å; Q446-L450 PolarHBondContact O-N 3.27Å
447K98.1Very high93.9Very high59 Ų5948.8 Ų48.826%0.25728%0.276SS..Hα-helixtrans-67.7-38.5178.7-68.6-175.3179.5-165.10112.2A392 F393 T396 S443 L444 R445 L450 V451A392-K447 HydrophobicContact CB-CD 4.27Å; A392-K447 WeakPolarHBondContact O-CD 3.46Å; A392-K447 PolarHBondContact O-NZ 2.91Å; F393-K447 HydrophobicContact CB-CB 4.26Å; F393-K447 HydrophobicContact CD2-CB 4.39Å; T396-K447 HydrophobicContact CG2-CD 4.48Å; T396-K447 WeakPolarHBondContact OG1-CD 3.49Å; T396-K447 WeakPolarHBondContact OG1-CE 3.37Å; T396-K447 PolarHBondContact OG1-NZ 3.42Å; S443-K447 WeakPolarHBondContact O-CG 3.34Å; S443-K447 PolarHBondContact O-N 3.38Å; L444-K447 PolarHBondContact O-N 3.35Å; R445-K447 PolarHBondContact O-N 2.96Å; K447-L450 PolarHBondContact O-N 3.35Å; K447-V451 WeakPolarHBondContact O-CG2 3.27Å; K447-V451 PolarHBondContact O-N 2.9Å
448G97.6Very high92.2Very high0 Ų050.8 Ų50.80%029%0.285CS..Hα-helixtrans-62.8-45.3175.400000111.8L444 R445 L450 V451 L452L444-G448 PolarHBondContact O-N 3.05Å; R445-G448 PolarHBondContact O-N 2.77Å; G448-L450 VanDerWaalsContact C-N 3.34Å; G448-L450 PolarHBondContact O-N 2.92Å; G448-V451 PolarHBondContact O-N 3.01Å; G448-L452 WeakPolarHBondContact O-CG 3.44Å; G448-L452 PolarHBondContact O-N 3.35Å
449T96.3Very high89.9Confident65 Ų6551 Ų5140%0.39930%0.299SS..Hα-helixtrans-59.5-43.5173.6-58.40000111.8R445 Q446 V451 L452 E453R445-T449 PolarHBondContact O-N 3.09Å; R445-T449 PolarHBondContact O-OG1 3.08Å; R445-T449 VanDerWaalsContact O-OG1 3.05Å; Q446-T449 PolarHBondContact O-N 3.05Å; T449-V451 VanDerWaalsContact C-N 3.35Å; T449-V451 PolarHBondContact O-N 2.99Å; T449-L452 PolarHBondContact O-N 2.99Å; T449-E453 HydrophobicContact CG2-CG 4.21Å; T449-E453 WeakPolarHBondContact O-CB 3.47Å; T449-E453 WeakPolarHBondContact O-CG 3.39Å; T449-E453 PolarHBondContact O-N 3.4Å
450L95.9Very high87.3Confident77 Ų7752.6 Ų52.640%0.40331%0.306SS..Hα-helixtrans-59.2-44.4177.1179.365.7000112.1A389 Q446 K447 G448 E453 Q454A389-L450 HydrophobicContact CB-CD2 4.26Å; A389-L450 HydrophobicContact CB-CG 4.32Å; Q446-L450 PolarHBondContact O-N 3.27Å; K447-L450 PolarHBondContact O-N 3.35Å; G448-L450 VanDerWaalsContact C-N 3.34Å; G448-L450 PolarHBondContact O-N 2.92Å; L450-E453 PolarHBondContact O-N 2.95Å; L450-Q454 HydrophobicContact CD1-CG 4.28Å; L450-Q454 WeakPolarHBondContact O-CB 3.36Å; L450-Q454 VanDerWaalsContact O-CG 3.3Å; L450-Q454 WeakPolarHBondContact O-CG 3.5Å; L450-Q454 PolarHBondContact O-N 3.05Å
451V95.4Very high84.8Confident0 Ų060.9 Ų60.90%033%0.334CS..Hα-helixtrans-59.8-48175.9173.90000110.3I312 A389 F393 K447 G448 T449 E453 Q454 M455 V480I312-V451 HydrophobicContact CD1-CG1 4.11Å; A389-V451 HydrophobicContact CB-CG2 3.61Å; A389-V451 WeakPolarHBondContact O-CG2 3.42Å; F393-V451 HydrophobicContact CB-CG2 4Å; K447-V451 WeakPolarHBondContact O-CG2 3.27Å; K447-V451 PolarHBondContact O-N 2.9Å; G448-V451 PolarHBondContact O-N 3.01Å; T449-V451 VanDerWaalsContact C-N 3.35Å; T449-V451 PolarHBondContact O-N 2.99Å; V451-E453 PolarHBondContact O-N 2.98Å; V451-Q454 PolarHBondContact O-N 3.01Å; V451-M455 HydrophobicContact CG1-CG 4.4Å; V451-M455 HydrophobicContact CG1-SD 3.71Å; V451-M455 WeakPolarHBondContact O-CB 3.43Å; V451-M455 VanDerWaalsContact O-CG 3.23Å; V451-M455 WeakPolarHBondContact O-CG 3.39Å; V451-M455 PolarHBondContact O-N 3.2Å; V451-V480 HydrophobicContact CG1-CG2 3.97Å
452L94.1Very high82.3Confident29 Ų2964.5 Ų64.515%0.15236%0.364CS..Hα-helixtrans-62.3-41.5179.5-68173.6000112.5G448 T449 M455 C456 V477 V480 Q481 M484G448-L452 WeakPolarHBondContact O-CG 3.44Å; G448-L452 PolarHBondContact O-N 3.35Å; T449-L452 PolarHBondContact O-N 2.99Å; L452-M455 PolarHBondContact O-N 3.32Å; L452-C456 WeakPolarHBondContact O-CB 3.48Å; L452-C456 PolarHBondContact O-N 3.48Å; L452-C456 PolarHBondContact O-SG 3.06Å; L452-V477 HydrophobicContact CD2-CB 4.1Å; L452-V477 HydrophobicContact CD2-CG1 3.86Å; L452-V477 HydrophobicContact CD2-CG2 3.94Å; L452-V480 HydrophobicContact CD1-CG1 4.36Å; L452-V480 HydrophobicContact CD2-CB 4.16Å; L452-V480 HydrophobicContact CD2-CG1 4.22Å; L452-V480 HydrophobicContact CG-CG1 4.03Å; L452-Q481 HydrophobicContact CD1-CG 4.27Å; L452-M484 HydrophobicContact CD1-CE 4.18Å
453E91.8Very high79.7Confident123 Ų12369.4 Ų69.458%0.57539%0.386SS*.Hα-helixtrans-63.5-46.3177.1-76.3175.7175.700111.8T449 L450 V451 M455 C456 G457T449-E453 HydrophobicContact CG2-CG 4.21Å; T449-E453 WeakPolarHBondContact O-CB 3.47Å; T449-E453 WeakPolarHBondContact O-CG 3.39Å; T449-E453 PolarHBondContact O-N 3.4Å; L450-E453 PolarHBondContact O-N 2.95Å; V451-E453 PolarHBondContact O-N 2.98Å; E453-M455 VanDerWaalsContact C-N 3.32Å; E453-M455 PolarHBondContact O-N 3.44Å; E453-C456 PolarHBondContact O-N 2.98Å; E453-G457 PolarHBondContact O-N 2.87Å
454Q91Very high77.1Confident56 Ų5675.7 Ų75.726%0.26241%0.41SS..Hα-helixtrans-65.6-36.7179.1-70.8179.1-15.700112N385 V386 L450 V451N385-Q454 PolarHBondContact O-OE1 3.31Å; N385-Q454 VanDerWaalsContact O-OE1 3.07Å; V386-Q454 HydrophobicContact CG2-CB 3.68Å; L450-Q454 HydrophobicContact CD1-CG 4.28Å; L450-Q454 WeakPolarHBondContact O-CB 3.36Å; L450-Q454 VanDerWaalsContact O-CG 3.3Å; L450-Q454 WeakPolarHBondContact O-CG 3.5Å; L450-Q454 PolarHBondContact O-N 3.05Å; V451-Q454 PolarHBondContact O-N 3.01Å
455M86.1Confident74.5Confident2 Ų285.1 Ų85.11%0.0146%0.455CS..Hα-helixtrans-68.4-42.7174.5-77.8178.870.400112.9I312 V386 V451 L452 E453 Q458 Q473 N476 V477I312-M455 HydrophobicContact CD1-SD 4.2Å; I312-M455 HydrophobicContact CG2-SD 4.12Å; V386-M455 HydrophobicContact CG1-CG 3.89Å; V386-M455 HydrophobicContact CG2-CG 4.33Å; V451-M455 HydrophobicContact CG1-CG 4.4Å; V451-M455 HydrophobicContact CG1-SD 3.71Å; V451-M455 WeakPolarHBondContact O-CB 3.43Å; V451-M455 VanDerWaalsContact O-CG 3.23Å; V451-M455 WeakPolarHBondContact O-CG 3.39Å; V451-M455 PolarHBondContact O-N 3.2Å; L452-M455 PolarHBondContact O-N 3.32Å; E453-M455 VanDerWaalsContact C-N 3.32Å; E453-M455 PolarHBondContact O-N 3.44Å; M455-Q458 WeakPolarHBondContact O-CB 3.32Å; M455-Q458 PolarHBondContact O-N 3.44Å; M455-Q473 HydrophobicContact CE-CG 4.44Å; M455-Q473 PolarHBondContact O-NE2 2.77Å; M455-N476 HydrophobicContact CE-CB 3.14Å; M455-N476 HydrophobicContact SD-CB 4.28Å; M455-V477 HydrophobicContact CE-CG2 4.08Å
456C77.4Confident71.8Confident84 Ų8483 Ų8357%0.56846%0.458SS*.Hα-helixtrans-71.5-31.4178-73.40000112.4L452 E453 Q458 A459L452-C456 WeakPolarHBondContact O-CB 3.48Å; L452-C456 PolarHBondContact O-N 3.48Å; L452-C456 PolarHBondContact O-SG 3.06Å; E453-C456 PolarHBondContact O-N 2.98Å; C456-Q458 PolarHBondContact O-N 3.05Å; C456-A459 PolarHBondContact O-N 2.85Å
457G66.8Low69.2Low49 Ų4985.5 Ų85.551%0.50547%0.469SS..Hα-helixtrans-62.8-20.1175.600000114.4E453 A459E453-G457 PolarHBondContact O-N 2.87Å; G457-A459 VanDerWaalsContact C-N 3.25Å; G457-A459 PolarHBondContact O-N 3.34Å
458Q62.1Low66.8Low46 Ų4686.7 Ų86.722%0.21549%0.485CS..G310 helixtrans-67.6-21177.3-68.8177.4-23.300113.6M455 C456 S460M455-Q458 WeakPolarHBondContact O-CB 3.32Å; M455-Q458 PolarHBondContact O-N 3.44Å; C456-Q458 PolarHBondContact O-N 3.05Å; Q458-S460 PolarHBondContact O-N 3.47Å
459A50.8Low64.6Low76 Ų7690.7 Ų90.763%0.62851%0.511SS*.G310 helixtrans-71.1-15.8-176.400000114C456 G457 W461C456-A459 PolarHBondContact O-N 2.85Å; G457-A459 VanDerWaalsContact C-N 3.25Å; G457-A459 PolarHBondContact O-N 3.34Å; A459-W461 VanDerWaalsContact C-N 3.29Å; A459-W461 PolarHBondContact O-N 3.3Å
460S43.4Very low62.7Low93 Ų9393.1 Ų93.165%0.6553%0.528SS*.G310 helixtrans-74.6-12.2-173.2-166.80000114.7Q458Q458-S460 PolarHBondContact O-N 3.47Å
461W45.1Very low61.3Low186 Ų18691.1 Ų91.171%0.70553%0.526SS*.G310 helixtrans-101.2-4.8-179-64.2131.6000114.7A459 L463A459-W461 VanDerWaalsContact C-N 3.29Å; A459-W461 PolarHBondContact O-N 3.3Å; W461-L463 PolarHBondContact O-N 2.87Å
462A44.6Very low60.3Low78 Ų7895.1 Ų95.165%0.64554%0.544SS*.  trans-85.160.8174.800000110.8
463L43.8Very low59.7Low155 Ų15596.2 Ų96.281%0.81255%0.549SS*.  trans-90.6111.5154.8-163.173.2000105.7W461W461-L463 PolarHBondContact O-N 2.87Å
464E42.9Very low59.4Low171 Ų17195 Ų9580%0.79954%0.543SS*.SBendtrans96.198.4178.6-57.6179.3163.400116.6A466E464-A466 PolarHBondContact O-N 2.9Å
465E44.2Very low59.3Low199 Ų19996.8 Ų96.893%0.9355%0.554SS**  trans67.713.5140-64.2-168.1157.800122.2E467E465-E467 PolarHBondContact O-N 2.92Å
466A42.1Very low59.7Low50 Ų5097.4 Ų97.441%0.41356%0.558SS.*  trans-91100.6167.800000112E464 S468E464-A466 PolarHBondContact O-N 2.9Å; A466-S468 PolarHBondContact O-N 3.21Å
467E44.2Very low60.4Low197 Ų19794.3 Ų94.392%0.92154%0.536SS*.  trans-61.875.2158.7-67.9-165.4153.100110E465E465-E467 PolarHBondContact O-N 2.92Å
468S47.9Very low61.7Low84 Ų8496.8 Ų96.859%0.58754%0.535SS*.  trans-71.3134.1153.942.70000107.2A466 P470A466-S468 PolarHBondContact O-N 3.21Å; S468-P470 WeakPolarHBondContact O-CD 3.37Å; S468-P470 VanDerWaalsContact O-N 3.07Å
469P50.3Low63.3Low84 Ų8497.1 Ų97.155%0.54554%0.536SS..  trans-61.8119.1-177.923.2-30.4000107.9G471 E472P469-G471 PolarHBondContact O-N 2.94Å; P469-E472 PolarHBondContact O-N 3.42Å
470P56Low65.5Low117 Ų11793.5 Ų93.576%0.7651%0.506SS*.Hα-helixtrans-60.1-8.1-179.220.8-31000113.4S468 Q474S468-P470 WeakPolarHBondContact O-CD 3.37Å; S468-P470 VanDerWaalsContact O-N 3.07Å; P470-Q474 VanDerWaalsContact O-CB 3.24Å; P470-Q474 WeakPolarHBondContact O-CB 3.49Å
471G66.8Low68Low35 Ų3593.7 Ų93.736%0.36150%0.497SS..Hα-helixtrans-66.2-5317700000114.5P469 Q473 Q474 D475P469-G471 PolarHBondContact O-N 2.94Å; G471-Q473 PolarHBondContact O-N 3.39Å; G471-Q474 CarbonylContact O-C 3.58Å; G471-Q474 WeakPolarHBondContact O-CB 3.4Å; G471-Q474 PolarHBondContact O-N 3.01Å; G471-Q474 VanDerWaalsContact O-N 3.17Å; G471-D475 WeakPolarHBondContact O-CB 3.32Å; G471-D475 PolarHBondContact O-N 3.49Å
472E74.2Confident70.5Confident83 Ų8387.2 Ų87.239%0.38848%0.483SS..Hα-helixtrans-66.7-40.2-169.2-71.1-173.8-176.100113.3P469 Q474 D475 N476P469-E472 PolarHBondContact O-N 3.42Å; E472-Q474 VanDerWaalsContact C-N 3.32Å; E472-D475 PolarHBondContact O-N 2.96Å; E472-N476 PolarHBondContact O-N 3.43Å; E472-N476 PolarHBondContact O-ND2 3.44Å
473Q81.1Confident73.1Confident52 Ų5284.2 Ų84.224%0.24346%0.457CS..Hα-helixtrans-66.4-39.1176.4-170.569.9-18.400111.2M455 G471 D475 N476 V477M455-Q473 HydrophobicContact CE-CG 4.44Å; M455-Q473 PolarHBondContact O-NE2 2.77Å; G471-Q473 PolarHBondContact O-N 3.39Å; Q473-D475 VanDerWaalsContact C-N 3.35Å; Q473-N476 PolarHBondContact O-N 2.89Å; Q473-V477 WeakPolarHBondContact O-CG2 3.41Å; Q473-V477 PolarHBondContact O-N 3.28Å; Q473-V477 VanDerWaalsContact O-N 3.07Å
474Q86Confident75.7Confident99 Ų9978.4 Ų78.446%0.46343%0.426SS..Hα-helixtrans-66.8-37.5176.2-175.463.719.500111.5P470 G471 E472 V477 Q478P470-Q474 VanDerWaalsContact O-CB 3.24Å; P470-Q474 WeakPolarHBondContact O-CB 3.49Å; G471-Q474 CarbonylContact O-C 3.58Å; G471-Q474 WeakPolarHBondContact O-CB 3.4Å; G471-Q474 PolarHBondContact O-N 3.01Å; G471-Q474 VanDerWaalsContact O-N 3.17Å; E472-Q474 VanDerWaalsContact C-N 3.32Å; Q474-V477 PolarHBondContact O-N 2.63Å; Q474-Q478 WeakPolarHBondContact O-CB 3.03Å; Q474-Q478 VanDerWaalsContact O-CG 3.28Å; Q474-Q478 WeakPolarHBondContact O-CG 3.23Å; Q474-Q478 PolarHBondContact O-N 3.3Å
475D90.4Very high78.3Confident92 Ų9276.4 Ų76.449%0.49242%0.416SS..Hα-helixtrans-65.3-43.6176.7-68-18000111.3G471 E472 Q473 V477 Q478 H479G471-D475 WeakPolarHBondContact O-CB 3.32Å; G471-D475 PolarHBondContact O-N 3.49Å; E472-D475 PolarHBondContact O-N 2.96Å; Q473-D475 VanDerWaalsContact C-N 3.35Å; D475-V477 PolarHBondContact O-N 3.08Å; D475-Q478 PolarHBondContact O-N 2.72Å; D475-H479 VanDerWaalsContact O-CB 3.31Å; D475-H479 WeakPolarHBondContact O-CB 3.4Å; D475-H479 PolarHBondContact O-N 2.98Å
476N92.5Very high80.9Confident16 Ų1671.9 Ų71.99%0.08640%0.395CS..Hα-helixtrans-61.5-42.6174.5-71.3-34.2000111.7Q310 I312 M455 E472 Q473 H479 V480Q310-N476 PolarHBondContact O-ND2 3.05Å; Q310-N476 VanDerWaalsContact O-ND2 3.07Å; I312-N476 HydrophobicContact CD1-CB 4.27Å; I312-N476 HydrophobicContact CG1-CB 4.23Å; I312-N476 PolarHBondContact N-OD1 3.01Å; M455-N476 HydrophobicContact CE-CB 3.14Å; M455-N476 HydrophobicContact SD-CB 4.28Å; E472-N476 PolarHBondContact O-N 3.43Å; E472-N476 PolarHBondContact O-ND2 3.44Å; Q473-N476 PolarHBondContact O-N 2.89Å; N476-H479 PolarHBondContact O-N 3.44Å; N476-V480 WeakPolarHBondContact O-CG2 3.05Å; N476-V480 PolarHBondContact O-N 3.19Å; N476-V480 VanDerWaalsContact O-N 3.08Å
477V92.8Very high83.5Confident19 Ų1970.1 Ų70.112%0.11538%0.378CS..Hα-helixtrans-62.3-47.6176.4166.50000111L452 M455 Q473 Q474 D475 H479 V480 Q481L452-V477 HydrophobicContact CD2-CB 4.1Å; L452-V477 HydrophobicContact CD2-CG1 3.86Å; L452-V477 HydrophobicContact CD2-CG2 3.94Å; M455-V477 HydrophobicContact CE-CG2 4.08Å; Q473-V477 WeakPolarHBondContact O-CG2 3.41Å; Q473-V477 PolarHBondContact O-N 3.28Å; Q473-V477 VanDerWaalsContact O-N 3.07Å; Q474-V477 PolarHBondContact O-N 2.63Å; D475-V477 PolarHBondContact O-N 3.08Å; V477-H479 VanDerWaalsContact C-N 3.29Å; V477-H479 PolarHBondContact O-N 3.42Å; V477-V480 PolarHBondContact O-N 3.16Å; V477-Q481 WeakPolarHBondContact O-CG 3.46Å; V477-Q481 PolarHBondContact O-N 3.4Å; V477-Q481 VanDerWaalsContact O-N 3.09Å
478Q93.6Very high86.1Confident101 Ų10163.7 Ų63.747%0.47235%0.349SS..Hα-helixtrans-60.2-40.7176.4-74.2177.731.300111.5Q474 D475 Q481 A482Q474-Q478 WeakPolarHBondContact O-CB 3.03Å; Q474-Q478 VanDerWaalsContact O-CG 3.28Å; Q474-Q478 WeakPolarHBondContact O-CG 3.23Å; Q474-Q478 PolarHBondContact O-N 3.3Å; D475-Q478 PolarHBondContact O-N 2.72Å; Q478-Q481 PolarHBondContact O-N 2.78Å; Q478-A482 VanDerWaalsContact O-CB 3.23Å; Q478-A482 WeakPolarHBondContact O-CB 3.44Å; Q478-A482 PolarHBondContact O-N 3.37Å
479H95.9Very high88.5Confident52 Ų5263.9 Ų63.924%0.24134%0.342CS..Hα-helixtrans-60.9-49.6178.1174.567.1000112.1H394 D475 N476 V477 Q481 A482 V483H394-H479 AromaticContact CE1-NE2 3.27Å; H394-H479 PolarHBondContact CE1-NE2 2.76Å; H394-H479 VanDerWaalsContact CE1-NE2 3.27Å; H394-H479 AromaticContact NE2-NE2 3.74Å; D475-H479 VanDerWaalsContact O-CB 3.31Å; D475-H479 WeakPolarHBondContact O-CB 3.4Å; D475-H479 PolarHBondContact O-N 2.98Å; N476-H479 PolarHBondContact O-N 3.44Å; V477-H479 VanDerWaalsContact C-N 3.29Å; V477-H479 PolarHBondContact O-N 3.42Å; H479-Q481 VanDerWaalsContact C-N 3.33Å; H479-Q481 PolarHBondContact O-N 3.09Å; H479-A482 PolarHBondContact O-N 2.96Å; H479-V483 WeakPolarHBondContact O-CG2 3.46Å; H479-V483 PolarHBondContact O-N 3.46Å
480V97.2Very high90.7Very high0 Ų062.8 Ų62.80%033%0.327CS..Hα-helixtrans-60.9-43.3178.6174.40000111I312 F393 V451 L452 N476 V477 M484I312-V480 HydrophobicContact CD1-CG2 3.55Å; F393-V480 HydrophobicContact CE1-CG1 4.26Å; F393-V480 HydrophobicContact CE1-CG2 4.41Å; F393-V480 HydrophobicContact CE2-CG1 4.1Å; F393-V480 HydrophobicContact CZ-CG1 3.89Å; V451-V480 HydrophobicContact CG1-CG2 3.97Å; L452-V480 HydrophobicContact CD1-CG1 4.36Å; L452-V480 HydrophobicContact CD2-CB 4.16Å; L452-V480 HydrophobicContact CD2-CG1 4.22Å; L452-V480 HydrophobicContact CG-CG1 4.03Å; N476-V480 WeakPolarHBondContact O-CG2 3.05Å; N476-V480 PolarHBondContact O-N 3.19Å; N476-V480 VanDerWaalsContact O-N 3.08Å; V477-V480 PolarHBondContact O-N 3.16Å; V480-M484 HydrophobicContact CG1-CE 4.08Å; V480-M484 WeakPolarHBondContact O-CG 3.29Å; V480-M484 PolarHBondContact O-N 2.98Å
481Q96.8Very high92.6Very high98 Ų9858.1 Ų58.146%0.45830%0.295SS..Hα-helixtrans-63.2-45.7176.7-71.4176.1-15.600112.1L452 V477 Q478 H479 V483 M484 E485L452-Q481 HydrophobicContact CD1-CG 4.27Å; V477-Q481 WeakPolarHBondContact O-CG 3.46Å; V477-Q481 PolarHBondContact O-N 3.4Å; V477-Q481 VanDerWaalsContact O-N 3.09Å; Q478-Q481 PolarHBondContact O-N 2.78Å; H479-Q481 VanDerWaalsContact C-N 3.33Å; H479-Q481 PolarHBondContact O-N 3.09Å; Q481-V483 PolarHBondContact O-N 3.35Å; Q481-M484 PolarHBondContact O-N 3.45Å; Q481-E485 WeakPolarHBondContact O-CB 3.48Å; Q481-E485 PolarHBondContact O-N 3.41Å
482A97.9Very high93.9Very high50 Ų5061 Ų6141%0.41330%0.299SS..Hα-helixtrans-62.8-40.6179.900000112.3Q478 H479 E485 E486Q478-A482 VanDerWaalsContact O-CB 3.23Å; Q478-A482 WeakPolarHBondContact O-CB 3.44Å; Q478-A482 PolarHBondContact O-N 3.37Å; H479-A482 PolarHBondContact O-N 2.96Å; A482-E485 PolarHBondContact O-N 3.05Å; A482-E486 WeakPolarHBondContact O-CB 3.48Å; A482-E486 PolarHBondContact O-N 3Å
483V98.2Very high94.9Very high15 Ų1562.7 Ų62.79%0.09130%0.302CS..Hα-helixtrans-64.2-42.9176.31700000111.2F393 T397 H479 Q481 E486 M487F393-V483 HydrophobicContact CE1-CB 4.19Å; F393-V483 HydrophobicContact CE1-CG1 3.94Å; F393-V483 HydrophobicContact CZ-CB 3.92Å; F393-V483 HydrophobicContact CZ-CG1 3.68Å; T397-V483 HydrophobicContact CG2-CG1 3.48Å; T397-V483 VanDerWaalsContact CG2-CG1 3.48Å; H479-V483 WeakPolarHBondContact O-CG2 3.46Å; H479-V483 PolarHBondContact O-N 3.46Å; Q481-V483 PolarHBondContact O-N 3.35Å; V483-E486 PolarHBondContact O-N 2.96Å; V483-M487 WeakPolarHBondContact O-CG 3.44Å; V483-M487 PolarHBondContact O-N 3.35Å; V483-M487 VanDerWaalsContact O-N 3.11Å
484M98.3Very high95.6Very high33 Ų3360.4 Ų60.416%0.16329%0.292CS..Hα-helixtrans-63-44.3175.7-70.9-171.5-65.800111.8F393 L444 L452 V480 Q481 M487 E488F393-M484 HydrophobicContact CE2-CG 3.76Å; F393-M484 HydrophobicContact CE2-SD 4.35Å; F393-M484 HydrophobicContact CZ-CG 4.08Å; L444-M484 HydrophobicContact CG-CG 4.4Å; L452-M484 HydrophobicContact CD1-CE 4.18Å; V480-M484 HydrophobicContact CG1-CE 4.08Å; V480-M484 WeakPolarHBondContact O-CG 3.29Å; V480-M484 PolarHBondContact O-N 2.98Å; Q481-M484 PolarHBondContact O-N 3.45Å; M484-M487 PolarHBondContact O-N 3.44Å; M484-E488 PolarHBondContact O-N 3.24Å
485E98.1Very high95.9Very high129 Ų12958.7 Ų58.760%0.60328%0.284SS*.Hα-helixtrans-62.6-42.1176.8-175.7176.7-168.500111.7Q481 A482 M487 E488 L489Q481-E485 WeakPolarHBondContact O-CB 3.48Å; Q481-E485 PolarHBondContact O-N 3.41Å; A482-E485 PolarHBondContact O-N 3.05Å; E485-M487 PolarHBondContact O-N 2.94Å; E485-E488 PolarHBondContact O-N 2.77Å; E485-L489 HydrophobicContact CG-CD1 3.76Å; E485-L489 WeakPolarHBondContact O-CD1 3.3Å; E485-L489 PolarHBondContact O-N 3.31Å
486E97.9Very high96Very high104 Ų10459.2 Ų59.249%0.48629%0.287SS..Hα-helixtrans-59.9-44.4177-175.6-177.5174.100111.9A482 V483 L489 R490A482-E486 WeakPolarHBondContact O-CB 3.48Å; A482-E486 PolarHBondContact O-N 3Å; V483-E486 PolarHBondContact O-N 2.96Å; E486-L489 PolarHBondContact O-N 3.45Å; E486-R490 WeakPolarHBondContact O-CB 3.46Å; E486-R490 PolarHBondContact O-N 3.39Å
487M98.3Very high96.1Very high12 Ų1262.1 Ų62.16%0.05930%0.3CS..Hα-helixtrans-68.1-39.9179.1-66.7-60.3139.600112.1T397 L400 L404 L441 L444 V483 M484 E485 R490 K491T397-M487 HydrophobicContact CG2-CE 3.81Å; T397-M487 HydrophobicContact CG2-CG 4.24Å; T397-M487 HydrophobicContact CG2-SD 4.36Å; L400-M487 HydrophobicContact CD2-CB 4.02Å; L400-M487 HydrophobicContact CD2-CG 4.35Å; L404-M487 HydrophobicContact CD1-SD 4.37Å; L441-M487 HydrophobicContact CD1-CB 4.22Å; L444-M487 HydrophobicContact CD2-CB 3.75Å; L444-M487 HydrophobicContact CD2-CG 3.69Å; V483-M487 WeakPolarHBondContact O-CG 3.44Å; V483-M487 PolarHBondContact O-N 3.35Å; V483-M487 VanDerWaalsContact O-N 3.11Å; M484-M487 PolarHBondContact O-N 3.44Å; E485-M487 PolarHBondContact O-N 2.94Å; M487-R490 PolarHBondContact O-N 3.3Å; M487-K491 WeakPolarHBondContact O-CB 3.2Å; M487-K491 PolarHBondContact O-N 3.03Å
488E97.8Very high96.2Very high63 Ų6361.4 Ų61.429%0.29430%0.296SS..Hα-helixtrans-61.4-46.8173.6-170.477.3-129.600110.7L441 R445 M484 E485 R490 K491 Q492L441-E488 WeakPolarHBondContact CD2-OE2 3.23Å; R445-E488 IonicContact CZ-OE2 3.65Å; R445-E488 IonicContact NH1-OE2 3.88Å; R445-E488 PolarHBondContact NH1-OE2 3.41Å; R445-E488 VanDerWaalsContact NH1-OE2 3.09Å; M484-E488 PolarHBondContact O-N 3.24Å; E485-E488 PolarHBondContact O-N 2.77Å; E488-R490 VanDerWaalsContact C-N 3.32Å; E488-R490 PolarHBondContact O-N 2.89Å; E488-K491 WeakPolarHBondContact O-CB 3.37Å; E488-K491 PolarHBondContact O-N 3.28Å; E488-Q492 PolarHBondContact O-N 3.04Å
489L97.5Very high96Very high87 Ų8761.5 Ų61.546%0.45530%0.3SS..Hα-helixtrans-61.9-38.6175.3-102.199.4000112.4E485 E486 K491 Q492 R493E485-L489 HydrophobicContact CG-CD1 3.76Å; E485-L489 WeakPolarHBondContact O-CD1 3.3Å; E485-L489 PolarHBondContact O-N 3.31Å; E486-L489 PolarHBondContact O-N 3.45Å; L489-K491 VanDerWaalsContact C-N 3.33Å; L489-Q492 PolarHBondContact O-N 2.97Å; L489-R493 WeakPolarHBondContact O-CG 3.42Å; L489-R493 PolarHBondContact O-N 3.27Å
490R96.7Very high95.7Very high61 Ų6164 Ų6423%0.2332%0.319CS..Hα-helixtrans-66.2-37.9177.3-167.9-178.1-170.5105.71111.5L404 D405 E486 M487 E488 C494L404-R490 HydrophobicContact CB-CG 4.44Å; L404-R490 HydrophobicContact CD1-CB 4.06Å; L404-R490 HydrophobicContact CD1-CG 3.98Å; D405-R490 IonicContact OD1-CZ 3.21Å; D405-R490 IonicContact OD1-NE 2.82Å; D405-R490 IonicContact OD1-NH2 3.79Å; D405-R490 PolarHBondContact OD1-NH2 2.97Å; E486-R490 WeakPolarHBondContact O-CB 3.46Å; E486-R490 PolarHBondContact O-N 3.39Å; M487-R490 PolarHBondContact O-N 3.3Å; E488-R490 VanDerWaalsContact C-N 3.32Å; E488-R490 PolarHBondContact O-N 2.89Å; R490-C494 PolarHBondContact O-N 3.49Å; R490-C494 PolarHBondContact O-SG 3.05Å
491K96.1Very high95.4Very high19 Ų1965.4 Ų65.48%0.08332%0.324CS..Hα-helixtrans-63.7-47.8173.1-177.6-103.5-165.8-174.70111.3L404 V437 E438 L441 M487 E488 L489 R493 C494 E495L404-K491 HydrophobicContact CD2-CB 4.12Å; V437-K491 HydrophobicContact CG1-CB 4.48Å; V437-K491 HydrophobicContact CG1-CG 3.8Å; E438-K491 WeakPolarHBondContact OE2-CE 3.34Å; E438-K491 IonicContact OE2-NZ 2.81Å; E438-K491 PolarHBondContact OE2-NZ 3.29Å; L441-K491 HydrophobicContact CD2-CB 4.4Å; L441-K491 HydrophobicContact CD2-CD 3.87Å; L441-K491 HydrophobicContact CD2-CG 4.1Å; M487-K491 WeakPolarHBondContact O-CB 3.2Å; M487-K491 PolarHBondContact O-N 3.03Å; E488-K491 WeakPolarHBondContact O-CB 3.37Å; E488-K491 PolarHBondContact O-N 3.28Å; L489-K491 VanDerWaalsContact C-N 3.33Å; K491-R493 VanDerWaalsContact C-N 3.33Å; K491-R493 PolarHBondContact O-N 3.44Å; K491-C494 WeakPolarHBondContact O-CA 3.45Å; K491-C494 WeakPolarHBondContact O-CB 3.29Å; K491-C494 PolarHBondContact O-N 3.16Å; K491-E495 HydrophobicContact CD-CG 4.42Å; K491-E495 WeakPolarHBondContact CE-OE1 3.5Å; K491-E495 VanDerWaalsContact NZ-CD 3.31Å; K491-E495 IonicContact NZ-OE1 3.85Å; K491-E495 PolarHBondContact NZ-OE1 2.9Å; K491-E495 IonicContact NZ-OE2 3.22Å; K491-E495 PolarHBondContact NZ-OE2 3.33Å; K491-E495 PolarHBondContact O-N 3.38Å
492Q95.6Very high95.3Very high95 Ų9564.1 Ų64.144%0.44432%0.315SS..Hα-helixtrans-56.2-45.2175.7-174.963.448.400112.1E488 L489 C494 E495 D496E488-Q492 PolarHBondContact O-N 3.04Å; L489-Q492 PolarHBondContact O-N 2.97Å; Q492-C494 PolarHBondContact O-N 3.37Å; Q492-E495 PolarHBondContact O-N 2.9Å; Q492-E495 VanDerWaalsContact O-N 3.08Å; Q492-D496 PolarHBondContact NE2-OD1 2.87Å; Q492-D496 VanDerWaalsContact O-CG 3.31Å; Q492-D496 PolarHBondContact O-N 3.39Å
493R94.8Very high95Very high120 Ų12066.4 Ų66.445%0.45332%0.32SS..Hα-helixtrans-59.4-35176.3-73.4-171.4-62.8-93.75.5113L489 K491L489-R493 WeakPolarHBondContact O-CG 3.42Å; L489-R493 PolarHBondContact O-N 3.27Å; K491-R493 VanDerWaalsContact C-N 3.33Å; K491-R493 PolarHBondContact O-N 3.44Å
494C95.5Very high94.6Very high4 Ų469 Ų693%0.02733%0.329CS..Hα-helixtrans-70.3-43.9174.8-64.40000110.6L407 L411 R490 K491 Q492 D496 M497 V498L407-C494 HydrophobicContact CD2-CB 3.78Å; L407-C494 HydrophobicContact CG-CB 4.34Å; L411-C494 HydrophobicContact CD1-CB 3.99Å; L411-C494 WeakPolarHBondContact CD1-O 3.38Å; R490-C494 PolarHBondContact O-N 3.49Å; R490-C494 PolarHBondContact O-SG 3.05Å; K491-C494 WeakPolarHBondContact O-CA 3.45Å; K491-C494 WeakPolarHBondContact O-CB 3.29Å; K491-C494 PolarHBondContact O-N 3.16Å; Q492-C494 PolarHBondContact O-N 3.37Å; C494-D496 VanDerWaalsContact C-N 3.32Å; C494-D496 PolarHBondContact O-N 3.22Å; C494-M497 PolarHBondContact O-N 3.05Å; C494-V498 VanDerWaalsContact O-CG2 3.27Å; C494-V498 WeakPolarHBondContact O-CG2 3.35Å; C494-V498 PolarHBondContact O-N 3.05Å
495E92.2Very high94.3Very high62 Ų6267.6 Ų67.629%0.2932%0.323SS..Hα-helixtrans-58.7-40.6178.6-71.6-177.5148.200112.7K491 Q492 M497 V498K491-E495 HydrophobicContact CD-CG 4.42Å; K491-E495 WeakPolarHBondContact CE-OE1 3.5Å; K491-E495 VanDerWaalsContact NZ-CD 3.31Å; K491-E495 IonicContact NZ-OE1 3.85Å; K491-E495 PolarHBondContact NZ-OE1 2.9Å; K491-E495 IonicContact NZ-OE2 3.22Å; K491-E495 PolarHBondContact NZ-OE2 3.33Å; K491-E495 PolarHBondContact O-N 3.38Å; Q492-E495 PolarHBondContact O-N 2.9Å; Q492-E495 VanDerWaalsContact O-N 3.08Å; E495-M497 PolarHBondContact O-N 3.43Å; E495-M497 VanDerWaalsContact O-N 3.08Å; E495-V498 WeakPolarHBondContact O-CB 3.4Å; E495-V498 PolarHBondContact O-N 3.3Å
496D92.4Very high94.1Very high104 Ų10465.6 Ų65.656%0.55632%0.316SS*.Hα-helixtrans-58.1-26.6176.3-63.2-17.2000112.7Q492 C494Q492-D496 PolarHBondContact NE2-OD1 2.87Å; Q492-D496 VanDerWaalsContact O-CG 3.31Å; Q492-D496 PolarHBondContact O-N 3.39Å; C494-D496 VanDerWaalsContact C-N 3.32Å; C494-D496 PolarHBondContact O-N 3.22Å
497M94.1Very high93.8Very high76 Ų7662.8 Ų62.837%0.37430%0.303SS..Hα-helixtrans-93.9-22177.9-60.117668.800113.1L408 L411 C494 E495 D499 V500 R501L408-M497 HydrophobicContact CD1-CE 4.42Å; L408-M497 HydrophobicContact CD1-SD 3.98Å; L411-M497 HydrophobicContact CB-CE 4.43Å; L411-M497 HydrophobicContact CD1-CB 4.16Å; C494-M497 PolarHBondContact O-N 3.05Å; E495-M497 PolarHBondContact O-N 3.43Å; E495-M497 VanDerWaalsContact O-N 3.08Å; M497-D499 PolarHBondContact O-N 2.88Å; M497-V500 PolarHBondContact O-N 3.03Å; M497-R501 PolarHBondContact O-N 3.17Å; M497-R501 VanDerWaalsContact O-N 3.09Å
498V95.1Very high93.5Very high4 Ų462.4 Ų62.42%0.02430%0.301CS..Hα-helixtrans-61-44-177164.40000111L411 L434 C494 E495 V500 R501 R502L411-V498 HydrophobicContact CD1-CG2 4.04Å; L411-V498 HydrophobicContact CD2-CB 4.4Å; L411-V498 HydrophobicContact CD2-CG2 3.81Å; L434-V498 HydrophobicContact CD1-CG1 3.7Å; L434-V498 HydrophobicContact CD1-CG2 4.31Å; L434-V498 HydrophobicContact CD2-CG1 4.44Å; L434-V498 HydrophobicContact CD2-CG2 3.64Å; C494-V498 VanDerWaalsContact O-CG2 3.27Å; C494-V498 WeakPolarHBondContact O-CG2 3.35Å; C494-V498 PolarHBondContact O-N 3.05Å; E495-V498 WeakPolarHBondContact O-CB 3.4Å; E495-V498 PolarHBondContact O-N 3.3Å; V498-V500 VanDerWaalsContact C-N 3.34Å; V498-V500 PolarHBondContact O-N 2.93Å; V498-R501 PolarHBondContact O-N 3.08Å; V498-R501 VanDerWaalsContact O-N 3.16Å; V498-R502 VanDerWaalsContact O-CB 3.23Å; V498-R502 WeakPolarHBondContact O-CB 3.47Å; V498-R502 PolarHBondContact O-N 2.94Å
499D89.6Confident93.2Very high104 Ų10460.7 Ų60.756%0.55629%0.294SS*.Hα-helixtrans-64.1-41-176.2-73.5-24.6000112M497 R501 R502 L503M497-D499 PolarHBondContact O-N 2.88Å; D499-R501 VanDerWaalsContact C-N 3.34Å; D499-R501 PolarHBondContact O-N 3.49Å; D499-R502 IonicContact OD1-NH1 2.83Å; D499-R502 PolarHBondContact OD1-NH1 2.94Å; D499-L503 WeakPolarHBondContact O-CB 3.5Å; D499-L503 PolarHBondContact O-N 2.88Å
500V90.3Very high92.9Very high105 Ų10561.1 Ų61.164%0.63629%0.294SS*.Hα-helixtrans-62.5-44.7174.7-178.60000110.4M497 V498 K504M497-V500 PolarHBondContact O-N 3.03Å; V498-V500 VanDerWaalsContact C-N 3.34Å; V498-V500 PolarHBondContact O-N 2.93Å; V500-K504 WeakPolarHBondContact O-CB 3.46Å; V500-K504 PolarHBondContact O-N 3.21Å
501R91.4Very high92.7Very high28 Ų2858.3 Ų58.311%0.10628%0.284CS..Hα-helixtrans-65.1-48.1179.6-177.754.4164.8-147-0.5112.2M410 L411 A413 V415 L430 M497 V498 D499 K504 M505M410-R501 PolarHBondContact O-NH2 3.07Å; L411-R501 HydrophobicContact CD2-CB 3.72Å; L411-R501 HydrophobicContact CD2-CG 3.92Å; A413-R501 PolarHBondContact O-NH1 3.43Å; A413-R501 PolarHBondContact O-NH2 2.94Å; V415-R501 VanDerWaalsContact CG2-NH1 3.3Å; L430-R501 HydrophobicContact CD2-CG 4.21Å; M497-R501 PolarHBondContact O-N 3.17Å; M497-R501 VanDerWaalsContact O-N 3.09Å; V498-R501 PolarHBondContact O-N 3.08Å; V498-R501 VanDerWaalsContact O-N 3.16Å; D499-R501 VanDerWaalsContact C-N 3.34Å; D499-R501 PolarHBondContact O-N 3.49Å; R501-K504 PolarHBondContact O-N 3.41Å; R501-M505 HydrophobicContact CG-SD 3.98Å; R501-M505 WeakPolarHBondContact O-CG 3.42Å; R501-M505 PolarHBondContact O-N 2.92Å
502R93.4Very high92.4Very high72 Ų7259.1 Ų59.127%0.27229%0.287SS..Hα-helixtrans-59.4-48178.2-177.8-174.8-72.1133.5-6.4110.4V498 D499 K504 M505 L506V498-R502 VanDerWaalsContact O-CB 3.23Å; V498-R502 WeakPolarHBondContact O-CB 3.47Å; V498-R502 PolarHBondContact O-N 2.94Å; D499-R502 IonicContact OD1-NH1 2.83Å; D499-R502 PolarHBondContact OD1-NH1 2.94Å; R502-K504 PolarHBondContact O-N 3.24Å; R502-M505 PolarHBondContact O-N 3.32Å; R502-L506 HydrophobicContact CG-CD1 4.04Å; R502-L506 HydrophobicContact CG-CG 4.48Å; R502-L506 WeakPolarHBondContact O-CG 3.4Å; R502-L506 PolarHBondContact O-N 3.39Å
503L91.6Very high92.2Very high97 Ų9758.5 Ų58.551%0.50828%0.283SS..Hα-helixtrans-58.3-46.7177179.362.2000111.5D499 M505 L506 Q507D499-L503 WeakPolarHBondContact O-CB 3.5Å; D499-L503 PolarHBondContact O-N 2.88Å; L503-M505 VanDerWaalsContact C-N 3.31Å; L503-M505 PolarHBondContact O-N 3.42Å; L503-L506 PolarHBondContact O-N 3.49Å; L503-Q507 HydrophobicContact CD1-CG 4.24Å; L503-Q507 WeakPolarHBondContact O-CB 3.48Å; L503-Q507 WeakPolarHBondContact O-CG 3.5Å; L503-Q507 PolarHBondContact O-N 3.3Å
504K90.5Very high92.1Very high69 Ų6953 Ų5330%0.326%0.263SS..Hα-helixtrans-58.4-43.8177.9-171.1176.2-179.1177.60111.5V415 V500 R501 R502 M508 L581V415-K504 HydrophobicContact CG2-CD 4.43Å; V500-K504 WeakPolarHBondContact O-CB 3.46Å; V500-K504 PolarHBondContact O-N 3.21Å; R501-K504 PolarHBondContact O-N 3.41Å; R502-K504 PolarHBondContact O-N 3.24Å; K504-M508 VanDerWaalsContact O-CG 3.29Å; K504-M508 WeakPolarHBondContact O-CG 3.48Å; K504-M508 PolarHBondContact O-N 3.47Å; K504-L581 HydrophobicContact CG-CD2 3.63Å; K504-L581 WeakPolarHBondContact O-CD2 3.37Å
505M91.8Very high91.8Very high4 Ų454 Ų542%0.0227%0.267CS..Hα-helixtrans-69.6-41.3179.4-66.6171.573.600112.3V415 I423 N426 L427 R501 R502 L503 Q507 M508 V509V415-M505 HydrophobicContact CG2-CG 4.07Å; I423-M505 HydrophobicContact CG2-CB 3.92Å; I423-M505 HydrophobicContact CG2-CE 4.45Å; I423-M505 HydrophobicContact CG2-CG 4.38Å; I423-M505 WeakPolarHBondContact CG2-O 3.4Å; I423-M505 WeakPolarHBondContact O-CE 3.42Å; N426-M505 HydrophobicContact CB-CE 3.28Å; L427-M505 HydrophobicContact CB-CE 3.95Å; L427-M505 HydrophobicContact CD1-CB 4.05Å; R501-M505 HydrophobicContact CG-SD 3.98Å; R501-M505 WeakPolarHBondContact O-CG 3.42Å; R501-M505 PolarHBondContact O-N 2.92Å; R502-M505 PolarHBondContact O-N 3.32Å; L503-M505 VanDerWaalsContact C-N 3.31Å; L503-M505 PolarHBondContact O-N 3.42Å; M505-Q507 PolarHBondContact O-N 2.95Å; M505-M508 WeakPolarHBondContact O-CB 3.48Å; M505-M508 PolarHBondContact O-N 3.34Å; M505-M508 VanDerWaalsContact O-N 3.14Å; M505-V509 WeakPolarHBondContact O-CG2 2.99Å; M505-V509 PolarHBondContact O-N 2.92Å
506L93.3Very high91.8Very high87 Ų8756.8 Ų56.846%0.45528%0.28SS..Hα-helixtrans-61.3-43.7174.1-73.2172000111.8L427 R502 L503 M508 V509 Q510L427-L506 HydrophobicContact CD1-CD2 3.65Å; L427-L506 HydrophobicContact CD1-CG 3.8Å; R502-L506 HydrophobicContact CG-CD1 4.04Å; R502-L506 HydrophobicContact CG-CG 4.48Å; R502-L506 WeakPolarHBondContact O-CG 3.4Å; R502-L506 PolarHBondContact O-N 3.39Å; L503-L506 PolarHBondContact O-N 3.49Å; L506-M508 VanDerWaalsContact C-N 3.27Å; L506-M508 PolarHBondContact O-N 2.98Å; L506-V509 PolarHBondContact O-N 3.26Å; L506-Q510 WeakPolarHBondContact O-CB 3.19Å; L506-Q510 PolarHBondContact O-N 3.14Å
507Q92.1Very high92Very high46 Ų4653.6 Ų53.622%0.21526%0.263CS..Hα-helixtrans-60.7-36.6174.1-76-177-13.200112L503 M505 L511 L577 S580 L581L503-Q507 HydrophobicContact CD1-CG 4.24Å; L503-Q507 WeakPolarHBondContact O-CB 3.48Å; L503-Q507 WeakPolarHBondContact O-CG 3.5Å; L503-Q507 PolarHBondContact O-N 3.3Å; M505-Q507 PolarHBondContact O-N 2.95Å; Q507-L511 WeakPolarHBondContact O-CB 3.32Å; Q507-L511 PolarHBondContact O-N 2.88Å; Q507-L577 HydrophobicContact CB-CD2 3.98Å; Q507-L577 HydrophobicContact CG-CD2 4.02Å; Q507-S580 PolarHBondContact NE2-OG 3.35Å; Q507-S580 PolarHBondContact OE1-OG 2.74Å; Q507-L581 HydrophobicContact CB-CD1 4.27Å; Q507-L581 HydrophobicContact CB-CD2 3.9Å; Q507-L581 HydrophobicContact CB-CG 4.24Å
508M91.1Very high92Very high3 Ų350 Ų502%0.01525%0.245CC..Hα-helixtrans-67.6-44.2174.3-71.8173.874.300112V415 P417 I423 K504 M505 L506 Q510 L511 F512 L581V415-M508 HydrophobicContact CB-CE 4.18Å; V415-M508 HydrophobicContact CB-SD 3.75Å; V415-M508 HydrophobicContact CG1-CE 3.57Å; V415-M508 HydrophobicContact CG1-SD 3.44Å; V415-M508 WeakPolarHBondContact CG1-SD 3.47Å; V415-M508 HydrophobicContact CG2-SD 4.41Å; P417-M508 VanDerWaalsContact CA-CE 3.48Å; P417-M508 HydrophobicContact CB-CE 3.78Å; I423-M508 HydrophobicContact CD1-CE 3.75Å; I423-M508 HydrophobicContact CD1-SD 4.5Å; I423-M508 HydrophobicContact CG1-CB 4.41Å; I423-M508 HydrophobicContact CG1-CE 4.05Å; I423-M508 HydrophobicContact CG2-CB 4.11Å; K504-M508 VanDerWaalsContact O-CG 3.29Å; K504-M508 WeakPolarHBondContact O-CG 3.48Å; K504-M508 PolarHBondContact O-N 3.47Å; M505-M508 WeakPolarHBondContact O-CB 3.48Å; M505-M508 PolarHBondContact O-N 3.34Å; M505-M508 VanDerWaalsContact O-N 3.14Å; L506-M508 VanDerWaalsContact C-N 3.27Å; L506-M508 PolarHBondContact O-N 2.98Å; M508-Q510 VanDerWaalsContact C-N 3.3Å; M508-Q510 PolarHBondContact O-N 3.48Å; M508-L511 WeakPolarHBondContact O-CB 3.49Å; M508-L511 PolarHBondContact O-N 3.5Å; M508-L511 VanDerWaalsContact O-N 3.16Å; M508-F512 WeakPolarHBondContact O-CD2 3.43Å; M508-F512 PolarHBondContact O-N 3.39Å; M508-F512 VanDerWaalsContact O-N 3.1Å; M508-L581 HydrophobicContact CB-CD1 4.44Å; M508-L581 HydrophobicContact CG-CD1 3.63Å; M508-L581 HydrophobicContact CG-CD2 3.79Å; M508-L581 HydrophobicContact CG-CG 4.33Å
509V91.9Very high91.9Very high27 Ų2752.8 Ų52.816%0.16426%0.26CS..Hα-helixtrans-58.3-45.6174.4174.90000110.5I423 Q424 M505 L506 L511 F512 K513I423-V509 HydrophobicContact CB-CG2 4.17Å; I423-V509 HydrophobicContact CG2-CG2 3.7Å; Q424-V509 HydrophobicContact CG-CG1 4.02Å; Q424-V509 HydrophobicContact CG-CG2 3.66Å; M505-V509 WeakPolarHBondContact O-CG2 2.99Å; M505-V509 PolarHBondContact O-N 2.92Å; L506-V509 PolarHBondContact O-N 3.26Å; V509-L511 VanDerWaalsContact C-N 3.3Å; V509-L511 PolarHBondContact O-N 3.42Å; V509-F512 PolarHBondContact O-N 3.43Å; V509-K513 PolarHBondContact O-N 2.55Å
510Q92.3Very high92.3Very high97 Ų9751 Ų5145%0.45325%0.248SC..Hα-helixtrans-62.2-38.2177.3-170.360.734.400112L506 M508 K513 C514 L577L506-Q510 WeakPolarHBondContact O-CB 3.19Å; L506-Q510 PolarHBondContact O-N 3.14Å; M508-Q510 VanDerWaalsContact C-N 3.3Å; M508-Q510 PolarHBondContact O-N 3.48Å; Q510-K513 PolarHBondContact O-N 3.33Å; Q510-C514 PolarHBondContact NE2-SG 3.23Å; Q510-C514 VanDerWaalsContact NE2-SG 3.42Å; Q510-C514 PolarHBondContact O-N 3.13Å; Q510-C514 PolarHBondContact O-SG 2.9Å; Q510-C514 VanDerWaalsContact O-SG 3.38Å; Q510-L577 HydrophobicContact CB-CD1 4.14Å; Q510-L577 HydrophobicContact CG-CD1 3.89Å
511L90.9Very high92.6Very high2 Ų246 Ų461%0.0122%0.218CC..Hα-helixtrans-59.5-49.9176.5175.868.4000111.3Q507 M508 V509 K513 C514 E515 T574 L577 L581Q507-L511 WeakPolarHBondContact O-CB 3.32Å; Q507-L511 PolarHBondContact O-N 2.88Å; M508-L511 WeakPolarHBondContact O-CB 3.49Å; M508-L511 PolarHBondContact O-N 3.5Å; M508-L511 VanDerWaalsContact O-N 3.16Å; V509-L511 VanDerWaalsContact C-N 3.3Å; V509-L511 PolarHBondContact O-N 3.42Å; L511-K513 VanDerWaalsContact C-N 3.27Å; L511-K513 PolarHBondContact O-N 3.2Å; L511-C514 PolarHBondContact O-N 3.5Å; L511-E515 WeakPolarHBondContact O-CG 3.47Å; L511-E515 PolarHBondContact O-N 3.38Å; L511-E515 VanDerWaalsContact O-N 3.1Å; L511-T574 HydrophobicContact CD1-CG2 3.48Å; L511-T574 VanDerWaalsContact CD1-CG2 3.48Å; L511-L577 HydrophobicContact CB-CB 4.29Å; L511-L577 HydrophobicContact CB-CD1 4.19Å; L511-L577 HydrophobicContact CD1-CB 3.97Å; L511-L581 HydrophobicContact CB-CD1 4.48Å; L511-L581 HydrophobicContact CD2-CD1 4.05Å
512F90.3Very high92.9Very high35 Ų3545 Ų4515%0.15422%0.215CC..Hα-helixtrans-60.6-39.3176.2-78.1-79.2000111.5D419 G420 I423 M508 V509 E515 E516 R586D419-F512 VanDerWaalsContact CA-CZ 3.41Å; G420-F512 VanDerWaalsContact CA-CD2 3.48Å; I423-F512 HydrophobicContact CG1-CE2 4.43Å; M508-F512 WeakPolarHBondContact O-CD2 3.43Å; M508-F512 PolarHBondContact O-N 3.39Å; M508-F512 VanDerWaalsContact O-N 3.1Å; V509-F512 PolarHBondContact O-N 3.43Å; F512-E515 PolarHBondContact O-N 3.4Å; F512-E516 PolarHBondContact O-N 3.16Å; F512-R586 VanDerWaalsContact CD1-NH2 3.28Å; F512-R586 VanDerWaalsContact CE1-CZ 3.45Å
513K91.7Very high93.1Very high83 Ų8346.5 Ų46.536%0.36123%0.225SC..Hα-helixtrans-66.7-44.3179.7-170.950.5175.8156.20112.4V509 Q510 L511 E515 E516 D517V509-K513 PolarHBondContact O-N 2.55Å; Q510-K513 PolarHBondContact O-N 3.33Å; L511-K513 VanDerWaalsContact C-N 3.27Å; L511-K513 PolarHBondContact O-N 3.2Å; K513-E515 VanDerWaalsContact C-N 3.3Å; K513-E515 PolarHBondContact O-N 3.36Å; K513-E516 WeakPolarHBondContact CD-OE2 3.41Å; K513-E516 IonicContact NZ-OE2 2.85Å; K513-E516 PolarHBondContact NZ-OE2 3.43Å; K513-E516 PolarHBondContact O-N 2.92Å; K513-D517 VanDerWaalsContact CE-OD1 3.24Å; K513-D517 WeakPolarHBondContact CE-OD1 3.17Å; K513-D517 WeakPolarHBondContact CE-OD2 3.45Å; K513-D517 IonicContact NZ-OD1 3.44Å; K513-D517 PolarHBondContact NZ-OD1 3.14Å; K513-D517 IonicContact NZ-OD2 3.08Å; K513-D517 WeakPolarHBondContact O-CB 3.35Å; K513-D517 VanDerWaalsContact O-CG 3.28Å; K513-D517 PolarHBondContact O-N 2.93Å
514C92.6Very high93.4Very high3 Ų347.3 Ų47.32%0.0222%0.221CC..Hα-helixtrans-62-37175.5-71.60000112.5Q510 L511 A518 L570 T574Q510-C514 PolarHBondContact NE2-SG 3.23Å; Q510-C514 VanDerWaalsContact NE2-SG 3.42Å; Q510-C514 PolarHBondContact O-N 3.13Å; Q510-C514 PolarHBondContact O-SG 2.9Å; Q510-C514 VanDerWaalsContact O-SG 3.38Å; L511-C514 PolarHBondContact O-N 3.5Å; C514-A518 WeakPolarHBondContact O-CB 3.43Å; C514-A518 PolarHBondContact O-N 3.41Å; C514-L570 HydrophobicContact CB-CD2 4.44Å; C514-T574 WeakPolarHBondContact CB-OG1 3.48Å
515E90.2Very high93.8Very high27 Ų2744 Ų4413%0.12621%0.207CC..Hα-helixtrans-66.4-43.6175.7-73.2173.216300112.6L511 F512 K513 L519 T574 R586L511-E515 WeakPolarHBondContact O-CG 3.47Å; L511-E515 PolarHBondContact O-N 3.38Å; L511-E515 VanDerWaalsContact O-N 3.1Å; F512-E515 PolarHBondContact O-N 3.4Å; K513-E515 VanDerWaalsContact C-N 3.3Å; K513-E515 PolarHBondContact O-N 3.36Å; E515-L519 WeakPolarHBondContact O-CG 3.37Å; E515-L519 PolarHBondContact O-N 2.89Å; E515-T574 HydrophobicContact CG-CG2 3.88Å; E515-R586 IonicContact OE1-CZ 2.66Å; E515-R586 IonicContact OE1-NH1 3.51Å; E515-R586 PolarHBondContact OE1-NH1 3.32Å; E515-R586 IonicContact OE1-NH2 2.88Å; E515-R586 IonicContact OE2-CZ 2.83Å; E515-R586 IonicContact OE2-NH1 3.23Å; E515-R586 PolarHBondContact OE2-NH1 2.88Å; E515-R586 IonicContact OE2-NH2 3.15Å; E515-R586 PolarHBondContact OE2-NH2 3.14Å
516E91.9Very high94Very high120 Ų12045 Ų4556%0.56122%0.219SC*.Hα-helixtrans-61.3-51.2175.1-176.6-173.6-151.500111F512 K513 A518 L519 Q520F512-E516 PolarHBondContact O-N 3.16Å; K513-E516 WeakPolarHBondContact CD-OE2 3.41Å; K513-E516 IonicContact NZ-OE2 2.85Å; K513-E516 PolarHBondContact NZ-OE2 3.43Å; K513-E516 PolarHBondContact O-N 2.92Å; E516-A518 VanDerWaalsContact C-N 3.29Å; E516-A518 PolarHBondContact O-N 2.71Å; E516-L519 WeakPolarHBondContact O-CB 3.44Å; E516-L519 PolarHBondContact O-N 3.31Å; E516-L519 VanDerWaalsContact O-N 3.15Å; E516-Q520 PolarHBondContact O-N 3.4Å
517D95.1Very high94.3Very high37 Ų3746.9 Ų46.920%0.19823%0.225CC..Hα-helixtrans-67-31.3-177.7-66.3-15.9000111.7K513 Q520 A521 L570K513-D517 VanDerWaalsContact CE-OD1 3.24Å; K513-D517 WeakPolarHBondContact CE-OD1 3.17Å; K513-D517 WeakPolarHBondContact CE-OD2 3.45Å; K513-D517 IonicContact NZ-OD1 3.44Å; K513-D517 PolarHBondContact NZ-OD1 3.14Å; K513-D517 IonicContact NZ-OD2 3.08Å; K513-D517 WeakPolarHBondContact O-CB 3.35Å; K513-D517 VanDerWaalsContact O-CG 3.28Å; K513-D517 PolarHBondContact O-N 2.93Å; D517-Q520 WeakPolarHBondContact O-CB 3.38Å; D517-Q520 PolarHBondContact O-N 3.1Å; D517-A521 PolarHBondContact O-N 2.93Å; D517-L570 HydrophobicContact CB-CD1 3.54Å; D517-L570 HydrophobicContact CB-CD2 4.45Å
518A94.7Very high94.5Very high0 Ų046.2 Ų46.20%022%0.223CC..Hα-helixtrans-68.8-36.3174.700000112.1C514 E516 Q520 A521 V522 L570 L571 T591C514-A518 WeakPolarHBondContact O-CB 3.43Å; C514-A518 PolarHBondContact O-N 3.41Å; E516-A518 VanDerWaalsContact C-N 3.29Å; E516-A518 PolarHBondContact O-N 2.71Å; A518-Q520 VanDerWaalsContact C-N 3.34Å; A518-A521 PolarHBondContact O-N 3.03Å; A518-V522 WeakPolarHBondContact O-CG2 3.49Å; A518-V522 PolarHBondContact O-N 2.72Å; A518-L570 HydrophobicContact CB-CB 4.1Å; A518-L570 HydrophobicContact CB-CD1 4.39Å; A518-L571 HydrophobicContact CB-CD2 3.84Å; A518-L571 HydrophobicContact CB-CG 3.87Å; A518-T591 HydrophobicContact CB-CG2 4.17Å
519L94Very high94.8Very high63 Ų6346.8 Ų46.833%0.3323%0.226SC..Hα-helixtrans-64.6-41.5171.6-74.3167.4000110.8E515 E516 A521 V522 E523 T591E515-L519 WeakPolarHBondContact O-CG 3.37Å; E515-L519 PolarHBondContact O-N 2.89Å; E516-L519 WeakPolarHBondContact O-CB 3.44Å; E516-L519 PolarHBondContact O-N 3.31Å; E516-L519 VanDerWaalsContact O-N 3.15Å; L519-A521 VanDerWaalsContact C-N 3.31Å; L519-A521 PolarHBondContact O-N 3.25Å; L519-V522 WeakPolarHBondContact O-CB 3.47Å; L519-V522 PolarHBondContact O-N 2.87Å; L519-V522 VanDerWaalsContact O-N 3.1Å; L519-E523 PolarHBondContact O-N 3.14Å; L519-E523 VanDerWaalsContact O-N 3.16Å; L519-T591 HydrophobicContact CD2-CG2 3.95Å; L519-T591 HydrophobicContact CG-CG2 4.27Å
520Q96.9Very high95Very high67 Ų6749 Ų4931%0.31324%0.237SC..Hα-helixtrans-61.9-39176.6-16863.166.500112.1E516 D517 A518 V522 E523 W524E516-Q520 PolarHBondContact O-N 3.4Å; D517-Q520 WeakPolarHBondContact O-CB 3.38Å; D517-Q520 PolarHBondContact O-N 3.1Å; A518-Q520 VanDerWaalsContact C-N 3.34Å; Q520-V522 VanDerWaalsContact C-N 3.28Å; Q520-V522 PolarHBondContact O-N 3.37Å; Q520-E523 PolarHBondContact NE2-OE2 3.39Å; Q520-E523 WeakPolarHBondContact O-CB 3.4Å; Q520-E523 PolarHBondContact O-N 3.49Å; Q520-E523 VanDerWaalsContact O-N 3.14Å; Q520-W524 HydrophobicContact CG-CD2 3.94Å; Q520-W524 VanDerWaalsContact CG-CE2 3.44Å; Q520-W524 HydrophobicContact CG-CE3 4.28Å; Q520-W524 HydrophobicContact CG-CH2 3.77Å; Q520-W524 HydrophobicContact CG-CZ2 3.36Å; Q520-W524 HydrophobicContact CG-CZ3 4.21Å; Q520-W524 PolarHBondContact O-N 3.04Å
521A97.2Very high95.2Very high0 Ų045.8 Ų45.80%023%0.227CC..Hα-helixtrans-62.1-34.7174.500000112.7D517 A518 L519 L525 Y566D517-A521 PolarHBondContact O-N 2.93Å; A518-A521 PolarHBondContact O-N 3.03Å; L519-A521 VanDerWaalsContact C-N 3.31Å; L519-A521 PolarHBondContact O-N 3.25Å; A521-L525 VanDerWaalsContact O-CB 3.32Å; A521-L525 WeakPolarHBondContact O-CB 3.5Å; A521-L525 PolarHBondContact O-N 3.34Å; A521-Y566 HydrophobicContact CB-CD1 4.42Å
522V97.3Very high95.4Very high7 Ų745.7 Ų45.74%0.04223%0.226CC..Hα-helixtrans-64-42.61731760000110.9A518 L519 Q520 G526 T591 R594 L595 V598A518-V522 WeakPolarHBondContact O-CG2 3.49Å; A518-V522 PolarHBondContact O-N 2.72Å; L519-V522 WeakPolarHBondContact O-CB 3.47Å; L519-V522 PolarHBondContact O-N 2.87Å; L519-V522 VanDerWaalsContact O-N 3.1Å; Q520-V522 VanDerWaalsContact C-N 3.28Å; Q520-V522 PolarHBondContact O-N 3.37Å; V522-G526 PolarHBondContact O-N 2.91Å; V522-T591 HydrophobicContact CG2-CG2 4.19Å; V522-R594 HydrophobicContact CG1-CB 4.22Å; V522-L595 HydrophobicContact CG2-CB 3.76Å; V522-L595 HydrophobicContact CG2-CD1 3.91Å; V522-L595 HydrophobicContact CG2-CG 4.42Å; V522-V598 HydrophobicContact CG1-CG2 4.29Å
523E97.7Very high95.6Very high102 Ų10244.5 Ų44.548%0.47722%0.222SC..Hα-helixtrans-64.8-49.9178.1-67.6-179172.900111.6L519 Q520 L525 G526 E527L519-E523 PolarHBondContact O-N 3.14Å; L519-E523 VanDerWaalsContact O-N 3.16Å; Q520-E523 PolarHBondContact NE2-OE2 3.39Å; Q520-E523 WeakPolarHBondContact O-CB 3.4Å; Q520-E523 PolarHBondContact O-N 3.49Å; Q520-E523 VanDerWaalsContact O-N 3.14Å; E523-L525 VanDerWaalsContact C-N 3.29Å; E523-L525 PolarHBondContact O-N 3.41Å; E523-G526 CarbonylContact O-C 3.52Å; E523-G526 WeakPolarHBondContact O-CA 3.5Å; E523-G526 PolarHBondContact O-N 2.92Å; E523-E527 WeakPolarHBondContact O-CG 3.41Å; E523-E527 PolarHBondContact O-N 3.38Å
524W98.1Very high95.6Very high114 Ų11446.6 Ų46.643%0.43223%0.231SC..Hα-helixtrans-58.6-40.8177.2-67.8-28.5000112.4Q520 G526 E527 L528 T563 Y566Q520-W524 HydrophobicContact CG-CD2 3.94Å; Q520-W524 VanDerWaalsContact CG-CE2 3.44Å; Q520-W524 HydrophobicContact CG-CE3 4.28Å; Q520-W524 HydrophobicContact CG-CH2 3.77Å; Q520-W524 HydrophobicContact CG-CZ2 3.36Å; Q520-W524 HydrophobicContact CG-CZ3 4.21Å; Q520-W524 PolarHBondContact O-N 3.04Å; W524-G526 VanDerWaalsContact C-N 3.28Å; W524-G526 PolarHBondContact O-N 3.11Å; W524-E527 PolarHBondContact O-N 2.87Å; W524-L528 VanDerWaalsContact O-CG 3.3Å; W524-L528 WeakPolarHBondContact O-CG 3.47Å; W524-L528 PolarHBondContact O-N 3.21Å; W524-T563 HydrophobicContact CB-CG2 4.01Å; W524-T563 HydrophobicContact CE3-CG2 4.49Å; W524-Y566 HydrophobicContact CZ3-CE1 4.34Å
525L98.1Very high95.5Very high0 Ų051.1 Ų51.10%026%0.258CS..Hα-helixtrans-66.8-33.5176.2-16964.9000111.9A521 E523 L528 L529 A560 T563 Y564 L595 V598 W599A521-L525 VanDerWaalsContact O-CB 3.32Å; A521-L525 WeakPolarHBondContact O-CB 3.5Å; A521-L525 PolarHBondContact O-N 3.34Å; E523-L525 VanDerWaalsContact C-N 3.29Å; E523-L525 PolarHBondContact O-N 3.41Å; L525-L528 HydrophobicContact CD1-CD1 4.49Å; L525-L528 PolarHBondContact O-N 2.91Å; L525-L529 PolarHBondContact O-N 3.4Å; L525-A560 HydrophobicContact CD1-CB 4.03Å; L525-T563 HydrophobicContact CB-CG2 4.45Å; L525-Y564 HydrophobicContact CD2-CD2 4.23Å; L525-L595 HydrophobicContact CD2-CD1 4.03Å; L525-V598 HydrophobicContact CB-CG1 4.11Å; L525-V598 HydrophobicContact CD2-CB 4.25Å; L525-V598 HydrophobicContact CD2-CG1 4.09Å; L525-V598 HydrophobicContact CG-CG1 3.84Å; L525-W599 HydrophobicContact CD1-CE3 3.91Å; L525-W599 HydrophobicContact CD1-CZ3 4.24Å; L525-W599 HydrophobicContact CD2-CB 3.88Å; L525-W599 HydrophobicContact CD2-CE3 4.08Å
526G97.5Very high95.5Very high26 Ų2652.8 Ų52.827%0.26827%0.266SS..Hα-helixtrans-65.1-42.9171.900000112.4V522 E523 W524 L528 L529 D530V522-G526 PolarHBondContact O-N 2.91Å; E523-G526 CarbonylContact O-C 3.52Å; E523-G526 WeakPolarHBondContact O-CA 3.5Å; E523-G526 PolarHBondContact O-N 2.92Å; W524-G526 VanDerWaalsContact C-N 3.28Å; W524-G526 PolarHBondContact O-N 3.11Å; G526-L528 VanDerWaalsContact C-N 3.34Å; G526-L529 WeakPolarHBondContact O-CB 3.44Å; G526-L529 PolarHBondContact O-N 3.01Å; G526-D530 WeakPolarHBondContact O-CB 3.41Å; G526-D530 PolarHBondContact O-N 3.42Å
527E97.9Very high95.3Very high126 Ų12647.8 Ų47.859%0.58924%0.244SC*.Hα-helixtrans-62.9-40.1174.5-68.4174169.800111.8E523 W524 D530 A531E523-E527 WeakPolarHBondContact O-CG 3.41Å; E523-E527 PolarHBondContact O-N 3.38Å; W524-E527 PolarHBondContact O-N 2.87Å; E527-D530 PolarHBondContact O-N 3.05Å; E527-A531 WeakPolarHBondContact O-CB 3.3Å; E527-A531 PolarHBondContact O-N 3.1Å
528L97.7Very high95Very high31 Ų3151.9 Ų51.916%0.16226%0.256CS..Hα-helixtrans-64.5-41.5174.4-70171.4000111.8W524 L525 G526 A531 L532 F556 V559 A560 F602W524-L528 VanDerWaalsContact O-CG 3.3Å; W524-L528 WeakPolarHBondContact O-CG 3.47Å; W524-L528 PolarHBondContact O-N 3.21Å; L525-L528 HydrophobicContact CD1-CD1 4.49Å; L525-L528 PolarHBondContact O-N 2.91Å; G526-L528 VanDerWaalsContact C-N 3.34Å; L528-A531 PolarHBondContact O-N 3.4Å; L528-L532 WeakPolarHBondContact O-CB 3.18Å; L528-L532 PolarHBondContact O-N 3.23Å; L528-F556 HydrophobicContact CB-CZ 4.15Å; L528-F556 HydrophobicContact CD2-CD2 4.49Å; L528-F556 HydrophobicContact CD2-CE2 3.57Å; L528-F556 HydrophobicContact CD2-CZ 3.83Å; L528-F556 WeakPolarHBondContact O-CZ 2.89Å; L528-V559 HydrophobicContact CD1-CG1 4.46Å; L528-A560 HydrophobicContact CD1-CB 3.95Å; L528-F602 HydrophobicContact CB-CD2 4.42Å; L528-F602 HydrophobicContact CB-CE2 4.03Å
529L96.9Very high94.8Very high15 Ų1552.2 Ų52.28%0.07926%0.258CS..Hα-helixtrans-61.2-45172.9172.759000111.3L525 G526 A531 L532 L533 V598 Q601 F602 F657L525-L529 PolarHBondContact O-N 3.4Å; G526-L529 WeakPolarHBondContact O-CB 3.44Å; G526-L529 PolarHBondContact O-N 3.01Å; L529-A531 PolarHBondContact O-N 3.32Å; L529-L532 WeakPolarHBondContact O-CB 3.43Å; L529-L532 PolarHBondContact O-N 3.37Å; L529-L533 HydrophobicContact CD1-CD1 3.89Å; L529-L533 HydrophobicContact CD1-CG 4.11Å; L529-L533 HydrophobicContact CG-CD1 4.16Å; L529-L533 WeakPolarHBondContact O-CG 3.37Å; L529-L533 PolarHBondContact O-N 3.31Å; L529-V598 HydrophobicContact CD2-CG1 4.32Å; L529-Q601 HydrophobicContact CD2-CB 3.64Å; L529-F602 HydrophobicContact CB-CD2 4.15Å; L529-F602 HydrophobicContact CD1-CB 4.48Å; L529-F657 HydrophobicContact CD1-CZ 4.24Å; L529-F657 HydrophobicContact CD2-CZ 4.39Å
530D96.5Very high94.7Very high74 Ų7449.6 Ų49.640%0.39625%0.246SC..Hα-helixtrans-65.5-39.9-179.2-149.350.4000111.4G526 E527 L533 K534G526-D530 WeakPolarHBondContact O-CB 3.41Å; G526-D530 PolarHBondContact O-N 3.42Å; E527-D530 PolarHBondContact O-N 3.05Å; D530-L533 PolarHBondContact O-N 3.41Å; D530-K534 VanDerWaalsContact O-CB 3.3Å; D530-K534 WeakPolarHBondContact O-CB 3.42Å; D530-K534 WeakPolarHBondContact O-CG 3.48Å; D530-K534 PolarHBondContact O-N 3.29Å; D530-K534 WeakPolarHBondContact OD1-CE 3.48Å; D530-K534 IonicContact OD1-NZ 3.38Å; D530-K534 PolarHBondContact OD1-NZ 3.1Å; D530-K534 WeakPolarHBondContact OD2-CE 3.17Å; D530-K534 IonicContact OD2-NZ 3.08Å; D530-K534 PolarHBondContact OD2-NZ 3Å
531A96Very high94.3Very high30 Ų3051.5 Ų51.525%0.24826%0.258CS..Hα-helixtrans-62.3-45.5171.900000111.8E527 L528 L529 L533 K534 T535 H536 F556E527-A531 WeakPolarHBondContact O-CB 3.3Å; E527-A531 PolarHBondContact O-N 3.1Å; L528-A531 PolarHBondContact O-N 3.4Å; L529-A531 PolarHBondContact O-N 3.32Å; A531-L533 VanDerWaalsContact C-N 3.28Å; A531-L533 PolarHBondContact O-N 2.87Å; A531-K534 PolarHBondContact O-N 3.35Å; A531-T535 PolarHBondContact O-N 3.15Å; A531-T535 PolarHBondContact O-OG1 2.9Å; A531-H536 PolarHBondContact O-N 3.4Å; A531-F556 HydrophobicContact CB-CZ 4.48Å
532L95.6Very high94Very high0 Ų054.6 Ų54.60%028%0.275CS..Hα-helixtrans-57-42.9177.5-17858.4000112L528 L529 H536 F556 F602 A606 R609 F665L528-L532 WeakPolarHBondContact O-CB 3.18Å; L528-L532 PolarHBondContact O-N 3.23Å; L529-L532 WeakPolarHBondContact O-CB 3.43Å; L529-L532 PolarHBondContact O-N 3.37Å; L532-H536 HydrophobicContact CD1-CB 4.22Å; L532-H536 VanDerWaalsContact O-O 3.08Å; L532-F556 HydrophobicContact CB-CE1 3.93Å; L532-F556 HydrophobicContact CB-CZ 4.42Å; L532-F556 HydrophobicContact CD1-CD1 4.42Å; L532-F556 HydrophobicContact CD1-CE1 4.11Å; L532-F556 HydrophobicContact CG-CE1 4.43Å; L532-F602 HydrophobicContact CB-CE2 4.39Å; L532-F602 HydrophobicContact CD2-CD2 4.14Å; L532-F602 HydrophobicContact CD2-CE2 3.89Å; L532-F602 HydrophobicContact CD2-CZ 4.16Å; L532-A606 HydrophobicContact CD2-CB 4.1Å; L532-R609 VanDerWaalsContact CD1-CD 3.49Å; L532-F665 HydrophobicContact CG-CE1 4.36Å
533L93.8Very high93.8Very high10 Ų1055.1 Ų55.15%0.05228%0.279CS..Hα-helixtrans-76.2-40.9-178.6-67.5172.1000112.4L529 D530 A531 I655 F657 Q663 F665 G666L529-L533 HydrophobicContact CD1-CD1 3.89Å; L529-L533 HydrophobicContact CD1-CG 4.11Å; L529-L533 HydrophobicContact CG-CD1 4.16Å; L529-L533 WeakPolarHBondContact O-CG 3.37Å; L529-L533 PolarHBondContact O-N 3.31Å; D530-L533 PolarHBondContact O-N 3.41Å; A531-L533 VanDerWaalsContact C-N 3.28Å; A531-L533 PolarHBondContact O-N 2.87Å; L533-I655 HydrophobicContact CD2-CD1 3.41Å; L533-I655 VanDerWaalsContact CD2-CD1 3.41Å; L533-F657 HydrophobicContact CD1-CZ 4.16Å; L533-Q663 HydrophobicContact CD1-CB 4.47Å; L533-Q663 HydrophobicContact CD1-CG 4.46Å; L533-Q663 HydrophobicContact CD2-CB 4.45Å; L533-F665 HydrophobicContact CD2-CD1 4.36Å; L533-F665 HydrophobicContact CD2-CE1 4.22Å; L533-F665 CarbonylContact O-C 3.52Å; L533-F665 WeakPolarHBondContact O-CA 3.41Å; L533-G666 PolarHBondContact O-N 3.04Å
534K92.3Very high93.7Very high127 Ų12757.3 Ų57.355%0.55229%0.289SS*.Hα-helixtrans-95.5-34.8-168.5-67.1174.6-179.3159.80114.5D530 A531D530-K534 VanDerWaalsContact O-CB 3.3Å; D530-K534 WeakPolarHBondContact O-CB 3.42Å; D530-K534 WeakPolarHBondContact O-CG 3.48Å; D530-K534 PolarHBondContact O-N 3.29Å; D530-K534 WeakPolarHBondContact OD1-CE 3.48Å; D530-K534 IonicContact OD1-NZ 3.38Å; D530-K534 PolarHBondContact OD1-NZ 3.1Å; D530-K534 WeakPolarHBondContact OD2-CE 3.17Å; D530-K534 IonicContact OD2-NZ 3.08Å; D530-K534 PolarHBondContact OD2-NZ 3Å; A531-K534 PolarHBondContact O-N 3.35Å
535T89.4Confident93.5Very high97 Ų9754.3 Ų54.360%0.59528%0.28SS*.THydrogen-bonded Turntrans-108.4-35.6-172.169.40000111.9A531 V537A531-T535 PolarHBondContact O-N 3.15Å; A531-T535 PolarHBondContact O-OG1 2.9Å; T535-V537 VanDerWaalsContact C-N 3.33Å; T535-V537 PolarHBondContact O-N 3.28Å; T535-V537 VanDerWaalsContact O-N 3.09Å
536H90.9Very high93.3Very high62 Ų6254.3 Ų54.329%0.28728%0.28SS..  trans-86.976.8176.3-67.9-171.4000109.3A531 L532 F556 R609A531-H536 PolarHBondContact O-N 3.4Å; L532-H536 HydrophobicContact CD1-CB 4.22Å; L532-H536 VanDerWaalsContact O-O 3.08Å; H536-F556 AromaticContact CE1-CD2 3.72Å; H536-F556 AromaticContact CE1-CE2 3.89Å; H536-F556 AromaticContact CE1-CG 3.86Å; H536-R609 VanDerWaalsContact C-CZ 3.41Å; H536-R609 PolarHBondContact O-NH1 2.84Å
537V88.1Confident93.2Very high16 Ų1659.3 Ų59.310%0.09729%0.291CS..  trans-112.1-45.3-179.6-172.40000111.4T535 R609 F665 D670T535-V537 VanDerWaalsContact C-N 3.33Å; T535-V537 PolarHBondContact O-N 3.28Å; T535-V537 VanDerWaalsContact O-N 3.09Å; V537-R609 PolarHBondContact O-NH1 3.26Å; V537-F665 HydrophobicContact CG1-CB 4.2Å; V537-D670 HydrophobicContact CB-CB 4.48Å; V537-D670 HydrophobicContact CG1-CB 3.84Å
538R88.5Confident93.2Very high122 Ų12256.3 Ų56.346%0.4628%0.281SS..  trans-55.6140.1-179.1-66.4-172.568.5-147.3-7112.3D541 E545 R609R538-D541 IonicContact NH2-OD1 2.73Å; R538-D541 IonicContact NH2-OD2 2.81Å; R538-D541 PolarHBondContact NH2-OD2 2.93Å; R538-D541 VanDerWaalsContact NH2-OD2 3.11Å; R538-E545 IonicContact CZ-OE1 3.11Å; R538-E545 IonicContact NH1-OE1 3.24Å; R538-E545 IonicContact NH2-OE1 2.83Å; R538-E545 PolarHBondContact NH2-OE1 2.9Å; R538-E545 IonicContact NH2-OE2 3.62Å; R538-R609 PolarHBondContact O-NH1 3.28Å; R538-R609 PolarHBondContact O-NH2 3.27Å
539L91.3Very high93.1Very high7 Ų756.6 Ų56.64%0.03728%0.282CS..  trans-102.1-18.9177.3-59.9-175.4000113.7T546 R612 L613 A616 L647 L651 T674L539-T546 WeakPolarHBondContact O-CA 3.4Å; L539-T546 WeakPolarHBondContact O-CG2 3.36Å; L539-T546 PolarHBondContact O-OG1 3.38Å; L539-R612 HydrophobicContact CD1-CB 4.05Å; L539-R612 HydrophobicContact CD2-CB 3.95Å; L539-L613 HydrophobicContact CB-CD2 4.21Å; L539-L613 HydrophobicContact CD2-CD2 3.72Å; L539-L613 HydrophobicContact CD2-CG 3.87Å; L539-L613 WeakPolarHBondContact O-CD2 3.48Å; L539-A616 HydrophobicContact CB-CB 4.05Å; L539-A616 HydrophobicContact CD1-CB 4.15Å; L539-L647 HydrophobicContact CD1-CD1 4.16Å; L539-L651 HydrophobicContact CD1-CD2 3.6Å; L539-L651 HydrophobicContact CD1-CG 4.47Å; L539-T674 HydrophobicContact CD1-CG2 4.15Å; L539-T674 HydrophobicContact CG-CG2 4.2Å
540G90.9Very high93Very high8 Ų856.5 Ų56.58%0.08228%0.282CS..  trans108.2153.4-174.800000111.1H620G540-H620 PolarHBondContact O-NE2 2.79Å
541D89.1Confident93Very high107 Ų10756.7 Ų56.757%0.57228%0.283SS*.SBendtrans-99.1-16.3-176-55.4-28.6000112.1R538 E545 H620R538-D541 IonicContact NH2-OD1 2.73Å; R538-D541 IonicContact NH2-OD2 2.81Å; R538-D541 PolarHBondContact NH2-OD2 2.93Å; R538-D541 VanDerWaalsContact NH2-OD2 3.11Å; D541-E545 PolarHBondContact N-OE2 3.43Å; D541-H620 PolarHBondContact O-CE1 2.87Å; D541-H620 PolarHBondContact O-ND1 3.23Å
542D91.3Very high93Very high66 Ų6661.3 Ų61.335%0.35330%0.297SS..SBendtrans-142.7175.2177.667.745.8000112.6Q544 E545 T546 E624D542-Q544 VanDerWaalsContact C-N 3.31Å; D542-Q544 PolarHBondContact O-N 3.27Å; D542-Q544 WeakPolarHBondContact OD1-CA 3.48Å; D542-Q544 WeakPolarHBondContact OD1-CB 3.43Å; D542-Q544 PolarHBondContact OD1-N 2.96Å; D542-E545 PolarHBondContact OD1-N 3.34Å; D542-T546 VanDerWaalsContact O-CB 3.29Å; D542-T546 WeakPolarHBondContact O-CB 3.33Å; D542-T546 PolarHBondContact O-N 3.17Å; D542-T546 PolarHBondContact O-OG1 3.43Å; D542-E624 WeakPolarHBondContact CB-OE1 3.29Å
543S92.9Very high93Very high18 Ų1861.4 Ų61.413%0.12630%0.298CS..Hα-helixtrans-65.5-31.1-176.872.70000113.4R547 L617 E624S543-R547 WeakPolarHBondContact O-CB 3.48Å; S543-R547 PolarHBondContact O-N 2.87Å; S543-R547 VanDerWaalsContact O-N 3.1Å; S543-L617 WeakPolarHBondContact O-CD1 3.32Å; S543-E624 WeakPolarHBondContact CB-OE1 3.43Å; S543-E624 VanDerWaalsContact CB-OE2 3.26Å; S543-E624 WeakPolarHBondContact CB-OE2 3.39Å; S543-E624 PolarHBondContact N-OE1 2.95Å; S543-E624 PolarHBondContact OG-OE1 3.28Å; S543-E624 PolarHBondContact OG-OE2 2.9Å
544Q94.1Very high93.2Very high147 Ų14765.5 Ų65.569%0.68732%0.315SS*.Hα-helixtrans-77.8-44.5-178.8-178.3176.4-13.800111.7D542 R547 T548D542-Q544 VanDerWaalsContact C-N 3.31Å; D542-Q544 PolarHBondContact O-N 3.27Å; D542-Q544 WeakPolarHBondContact OD1-CA 3.48Å; D542-Q544 WeakPolarHBondContact OD1-CB 3.43Å; D542-Q544 PolarHBondContact OD1-N 2.96Å; Q544-R547 PolarHBondContact O-N 3.3Å; Q544-T548 PolarHBondContact O-N 3.36Å; Q544-T548 PolarHBondContact O-OG1 3.44Å
545E94.3Very high93.4Very high52 Ų5266.5 Ų66.524%0.24332%0.32CS..Hα-helixtrans-63.7-44.7174.8-167.7-176.5-166.900110.1R538 D541 D542 R547 T548 M549R538-E545 IonicContact CZ-OE1 3.11Å; R538-E545 IonicContact NH1-OE1 3.24Å; R538-E545 IonicContact NH2-OE1 2.83Å; R538-E545 PolarHBondContact NH2-OE1 2.9Å; R538-E545 IonicContact NH2-OE2 3.62Å; D541-E545 PolarHBondContact N-OE2 3.43Å; D542-E545 PolarHBondContact OD1-N 3.34Å; E545-R547 VanDerWaalsContact C-N 3.35Å; E545-R547 PolarHBondContact O-N 3.01Å; E545-T548 WeakPolarHBondContact O-CB 3.43Å; E545-T548 PolarHBondContact O-N 2.86Å; E545-T548 VanDerWaalsContact O-N 3.12Å; E545-M549 WeakPolarHBondContact O-CG 3.24Å; E545-M549 PolarHBondContact O-N 2.95Å
546T95.1Very high93.8Very high0 Ų063.4 Ų63.40%030%0.298CS..Hα-helixtrans-60.4-42.9177.6-54.90000111.7L539 D542 T548 M549 L550 L613 A616 L617L539-T546 WeakPolarHBondContact O-CA 3.4Å; L539-T546 WeakPolarHBondContact O-CG2 3.36Å; L539-T546 PolarHBondContact O-OG1 3.38Å; D542-T546 VanDerWaalsContact O-CB 3.29Å; D542-T546 WeakPolarHBondContact O-CB 3.33Å; D542-T546 PolarHBondContact O-N 3.17Å; D542-T546 PolarHBondContact O-OG1 3.43Å; T546-T548 VanDerWaalsContact C-N 3.34Å; T546-T548 PolarHBondContact O-N 2.73Å; T546-M549 PolarHBondContact O-N 2.85Å; T546-L550 PolarHBondContact O-N 2.86Å; T546-L613 HydrophobicContact CG2-CD2 4.34Å; T546-L613 VanDerWaalsContact CG2-O 3.31Å; T546-L613 WeakPolarHBondContact CG2-O 3.47Å; T546-A616 HydrophobicContact CG2-CB 3.98Å; T546-L617 HydrophobicContact CG2-CB 3.8Å; T546-L617 HydrophobicContact CG2-CD1 4.44Å
547R95.8Very high94.1Very high131 Ų13162.2 Ų62.249%0.49430%0.295SS..Hα-helixtrans-61.7-42.1174.6-174.6173.6-65.9149.84.5111.9S543 Q544 E545 M549 L550 D551 L617S543-R547 WeakPolarHBondContact O-CB 3.48Å; S543-R547 PolarHBondContact O-N 2.87Å; S543-R547 VanDerWaalsContact O-N 3.1Å; Q544-R547 PolarHBondContact O-N 3.3Å; E545-R547 VanDerWaalsContact C-N 3.35Å; E545-R547 PolarHBondContact O-N 3.01Å; R547-M549 VanDerWaalsContact C-N 3.33Å; R547-M549 PolarHBondContact O-N 3.15Å; R547-L550 WeakPolarHBondContact O-CB 3.15Å; R547-L550 PolarHBondContact O-N 3.04Å; R547-D551 PolarHBondContact O-N 3.45Å; R547-L617 HydrophobicContact CB-CD1 4.24Å
548T96.2Very high94.6Very high63 Ų6366.1 Ų66.139%0.38732%0.315SS..Hα-helixtrans-62.8-39.9176.1-56.60000111.7Q544 E545 T546 D551 K552Q544-T548 PolarHBondContact O-N 3.36Å; Q544-T548 PolarHBondContact O-OG1 3.44Å; E545-T548 WeakPolarHBondContact O-CB 3.43Å; E545-T548 PolarHBondContact O-N 2.86Å; E545-T548 VanDerWaalsContact O-N 3.12Å; T546-T548 VanDerWaalsContact C-N 3.34Å; T546-T548 PolarHBondContact O-N 2.73Å; T548-D551 PolarHBondContact O-N 3.31Å; T548-K552 HydrophobicContact CG2-CD 4.43Å; T548-K552 WeakPolarHBondContact O-CG 3.26Å; T548-K552 PolarHBondContact O-N 3.31Å
549M95.4Very high95Very high36 Ų3664 Ų6418%0.17732%0.316CS..Hα-helixtrans-66.7-38175.6-67.8-61.9-164.300112E545 T546 R547 K552 H553 L613E545-M549 WeakPolarHBondContact O-CG 3.24Å; E545-M549 PolarHBondContact O-N 2.95Å; T546-M549 PolarHBondContact O-N 2.85Å; R547-M549 VanDerWaalsContact C-N 3.33Å; R547-M549 PolarHBondContact O-N 3.15Å; M549-K552 PolarHBondContact O-N 3.06Å; M549-H553 VanDerWaalsContact O-CB 3.31Å; M549-H553 WeakPolarHBondContact O-CB 3.49Å; M549-H553 PolarHBondContact O-N 2.9Å; M549-L613 HydrophobicContact CB-CD2 3.88Å
550L95.8Very high95.4Very high14 Ų1463.7 Ų63.77%0.07331%0.314CS..Hα-helixtrans-62.7-43.9174.3-170.771.1000111.8T546 R547 H553 K554 Q610 L613 E614 L617T546-L550 PolarHBondContact O-N 2.86Å; R547-L550 WeakPolarHBondContact O-CB 3.15Å; R547-L550 PolarHBondContact O-N 3.04Å; L550-H553 WeakPolarHBondContact O-CB 3.45Å; L550-H553 PolarHBondContact O-N 3.25Å; L550-K554 WeakPolarHBondContact O-CG 3.41Å; L550-K554 PolarHBondContact O-N 3.49Å; L550-Q610 HydrophobicContact CD1-CG 4.16Å; L550-L613 HydrophobicContact CD1-CB 3.81Å; L550-L613 HydrophobicContact CD1-CD1 4.25Å; L550-E614 HydrophobicContact CD1-CG 4.23Å; L550-L617 HydrophobicContact CD2-CD2 4.44Å
551D95.8Very high95.7Very high78 Ų7866.5 Ų66.542%0.41733%0.325SS..Hα-helixtrans-66.4-39.6177.1-72-21.7000112.4R547 T548 H553 K554 K555R547-D551 PolarHBondContact O-N 3.45Å; T548-D551 PolarHBondContact O-N 3.31Å; D551-H553 VanDerWaalsContact C-N 3.32Å; D551-K554 PolarHBondContact O-N 2.68Å; D551-K555 PolarHBondContact O-N 3.46Å
552K96.1Very high96.1Very high126 Ų12665.1 Ų65.155%0.54832%0.323SS..Hα-helixtrans-63.7-39.2172.3-73.7173.6-178.7173.50111.6T548 M549 K555 F556T548-K552 HydrophobicContact CG2-CD 4.43Å; T548-K552 WeakPolarHBondContact O-CG 3.26Å; T548-K552 PolarHBondContact O-N 3.31Å; M549-K552 PolarHBondContact O-N 3.06Å; K552-K555 PolarHBondContact O-N 3.03Å; K552-F556 WeakPolarHBondContact O-CB 3.32Å; K552-F556 PolarHBondContact O-N 3.41Å
553H97.1Very high96.4Very high3 Ų363.1 Ų63.11%0.01431%0.314CS..Hα-helixtrans-63-45.9177.6178.861.9000111.7M549 L550 D551 K555 F556 V557 A606 L613M549-H553 VanDerWaalsContact O-CB 3.31Å; M549-H553 WeakPolarHBondContact O-CB 3.49Å; M549-H553 PolarHBondContact O-N 2.9Å; L550-H553 WeakPolarHBondContact O-CB 3.45Å; L550-H553 PolarHBondContact O-N 3.25Å; D551-H553 VanDerWaalsContact C-N 3.32Å; H553-K555 PolarHBondContact O-N 2.97Å; H553-F556 WeakPolarHBondContact O-CB 3.34Å; H553-F556 PolarHBondContact O-N 3.32Å; H553-F556 VanDerWaalsContact O-N 3.1Å; H553-V557 WeakPolarHBondContact O-CG2 3.49Å; H553-V557 PolarHBondContact O-N 3.25Å; H553-A606 PolarHBondContact NE2-O 2.87Å; H553-A606 VanDerWaalsContact NE2-O 3.11Å; H553-L613 HydrophobicContact CB-CD1 3.94Å
554K96.6Very high96.7Very high95 Ų9563.6 Ų63.641%0.41331%0.313SS..Hα-helixtrans-55.5-50.1175.3-71.6174-177.9170.70112L550 D551 F556 V557 D558L550-K554 WeakPolarHBondContact O-CG 3.41Å; L550-K554 PolarHBondContact O-N 3.49Å; D551-K554 PolarHBondContact O-N 2.68Å; K554-F556 VanDerWaalsContact C-N 3.26Å; K554-F556 PolarHBondContact O-N 3.02Å; K554-V557 WeakPolarHBondContact O-CB 3.48Å; K554-V557 PolarHBondContact O-N 3.43Å; K554-V557 VanDerWaalsContact O-N 3.12Å; K554-D558 PolarHBondContact O-N 3.15Å
555K97.1Very high96.9Very high149 Ų14958.9 Ų58.965%0.64829%0.293SS*.Hα-helixtrans-59.7-36.5176.9-68.3177.2-178.1178.20112.7D551 K552 H553 D558 V559D551-K555 PolarHBondContact O-N 3.46Å; K552-K555 PolarHBondContact O-N 3.03Å; H553-K555 PolarHBondContact O-N 2.97Å; K555-D558 PolarHBondContact O-N 3.03Å; K555-V559 WeakPolarHBondContact O-CG2 3.26Å; K555-V559 PolarHBondContact O-N 3.46Å
556F97.6Very high97Very high32 Ų3261 Ų6114%0.1430%0.299CS..Hα-helixtrans-68.1-40.1176.9179.7-99.1000112.1L528 A531 L532 H536 K552 H553 K554 D558 V559 A560 F602L528-F556 HydrophobicContact CB-CZ 4.15Å; L528-F556 HydrophobicContact CD2-CD2 4.49Å; L528-F556 HydrophobicContact CD2-CE2 3.57Å; L528-F556 HydrophobicContact CD2-CZ 3.83Å; L528-F556 WeakPolarHBondContact O-CZ 2.89Å; A531-F556 HydrophobicContact CB-CZ 4.48Å; L532-F556 HydrophobicContact CB-CE1 3.93Å; L532-F556 HydrophobicContact CB-CZ 4.42Å; L532-F556 HydrophobicContact CD1-CD1 4.42Å; L532-F556 HydrophobicContact CD1-CE1 4.11Å; L532-F556 HydrophobicContact CG-CE1 4.43Å; H536-F556 AromaticContact CE1-CD2 3.72Å; H536-F556 AromaticContact CE1-CE2 3.89Å; H536-F556 AromaticContact CE1-CG 3.86Å; K552-F556 WeakPolarHBondContact O-CB 3.32Å; K552-F556 PolarHBondContact O-N 3.41Å; H553-F556 WeakPolarHBondContact O-CB 3.34Å; H553-F556 PolarHBondContact O-N 3.32Å; H553-F556 VanDerWaalsContact O-N 3.1Å; K554-F556 VanDerWaalsContact C-N 3.26Å; K554-F556 PolarHBondContact O-N 3.02Å; F556-D558 VanDerWaalsContact C-N 3.34Å; F556-V559 PolarHBondContact O-N 3.01Å; F556-A560 PolarHBondContact O-N 3.14Å; F556-A560 VanDerWaalsContact O-N 3.13Å; F556-F602 HydrophobicContact CD1-CE2 4.37Å; F556-F602 AromaticContact CD1-CZ 3.94Å; F556-F602 HydrophobicContact CD1-CZ 3.94Å; F556-F602 AromaticContact CE1-CE2 3.57Å; F556-F602 HydrophobicContact CE1-CE2 3.57Å; F556-F602 AromaticContact CE1-CZ 3.59Å; F556-F602 HydrophobicContact CE1-CZ 3.59Å; F556-F602 HydrophobicContact CZ-CE2 4.19Å
557V97.6Very high97.1Very high37 Ų3761 Ų6122%0.22430%0.299CS..Hα-helixtrans-62.7-41172.9174.70000110.9H553 K554 V559 A560 Q561 F602 A606H553-V557 WeakPolarHBondContact O-CG2 3.49Å; H553-V557 PolarHBondContact O-N 3.25Å; K554-V557 WeakPolarHBondContact O-CB 3.48Å; K554-V557 PolarHBondContact O-N 3.43Å; K554-V557 VanDerWaalsContact O-N 3.12Å; V557-V559 VanDerWaalsContact C-N 3.31Å; V557-V559 PolarHBondContact O-N 3.44Å; V557-A560 PolarHBondContact O-N 3.42Å; V557-A560 VanDerWaalsContact O-N 3.17Å; V557-Q561 WeakPolarHBondContact O-CB 3.37Å; V557-Q561 PolarHBondContact O-N 3.01Å; V557-F602 HydrophobicContact CG2-CE1 4.3Å; V557-A606 HydrophobicContact CG2-CB 3.77Å
558D97.9Very high97.1Very high98 Ų9860.6 Ų60.652%0.52430%0.297SS..Hα-helixtrans-60.1-39.2176.4-64.3-28.9000112.4K554 K555 F556 S562K554-D558 PolarHBondContact O-N 3.15Å; K555-D558 PolarHBondContact O-N 3.03Å; F556-D558 VanDerWaalsContact C-N 3.34Å; D558-S562 WeakPolarHBondContact O-CB 3.47Å; D558-S562 PolarHBondContact O-N 3Å; D558-S562 PolarHBondContact O-OG 3.05Å
559V97.9Very high97.1Very high78 Ų7863.8 Ų63.847%0.47331%0.308SS..Hα-helixtrans-64.2-45.6174.8171.70000110.9L528 K555 F556 V557 S562 T563L528-V559 HydrophobicContact CD1-CG1 4.46Å; K555-V559 WeakPolarHBondContact O-CG2 3.26Å; K555-V559 PolarHBondContact O-N 3.46Å; F556-V559 PolarHBondContact O-N 3.01Å; V557-V559 VanDerWaalsContact C-N 3.31Å; V557-V559 PolarHBondContact O-N 3.44Å; V559-S562 PolarHBondContact O-N 2.93Å; V559-T563 PolarHBondContact O-N 2.62Å; V559-T563 PolarHBondContact O-OG1 2.93Å; V559-T563 VanDerWaalsContact O-OG1 3.07Å
560A97.9Very high97.1Very high0 Ų063 Ų630%030%0.304CS..Hα-helixtrans-65.4-40.8178.300000112.4L525 L528 F556 V557 S562 T563 Y564 W599 F602L525-A560 HydrophobicContact CD1-CB 4.03Å; L528-A560 HydrophobicContact CD1-CB 3.95Å; F556-A560 PolarHBondContact O-N 3.14Å; F556-A560 VanDerWaalsContact O-N 3.13Å; V557-A560 PolarHBondContact O-N 3.42Å; V557-A560 VanDerWaalsContact O-N 3.17Å; A560-S562 VanDerWaalsContact C-N 3.34Å; A560-S562 PolarHBondContact O-N 3.04Å; A560-T563 PolarHBondContact O-N 2.69Å; A560-Y564 WeakPolarHBondContact O-CB 3.44Å; A560-Y564 PolarHBondContact O-N 3.16Å; A560-W599 HydrophobicContact CB-CZ3 4.05Å; A560-F602 HydrophobicContact CB-CD1 3.9Å; A560-F602 HydrophobicContact CB-CD2 4.25Å; A560-F602 HydrophobicContact CB-CE1 3.29Å; A560-F602 HydrophobicContact CB-CE2 3.68Å; A560-F602 HydrophobicContact CB-CG 4.36Å; A560-F602 HydrophobicContact CB-CZ 3.16Å
561Q98.1Very high96.9Very high67 Ų6762.6 Ų62.631%0.31330%0.302SS..Hα-helixtrans-58.7-46.3173.8179.365.458.800110.9V557 T563 Y564 D565 W599V557-Q561 WeakPolarHBondContact O-CB 3.37Å; V557-Q561 PolarHBondContact O-N 3.01Å; Q561-T563 PolarHBondContact O-N 3.38Å; Q561-Y564 WeakPolarHBondContact O-CB 3.49Å; Q561-Y564 PolarHBondContact O-N 3.1Å; Q561-D565 VanDerWaalsContact NE2-CG 3.32Å; Q561-D565 PolarHBondContact NE2-OD1 3.33Å; Q561-D565 PolarHBondContact NE2-OD2 2.97Å; Q561-D565 WeakPolarHBondContact O-CB 3.34Å; Q561-D565 PolarHBondContact O-N 3Å; Q561-W599 VanDerWaalsContact CA-CH2 3.49Å; Q561-W599 HydrophobicContact CB-CH2 3.8Å; Q561-W599 HydrophobicContact CB-CZ3 4.44Å; Q561-W599 HydrophobicContact CG-CH2 4.41Å
562S98.1Very high96.8Very high77 Ų7764.6 Ų64.654%0.53831%0.309SS..Hα-helixtrans-61.9-41.5177.9-58.80000112.1D558 V559 A560 D565 Y566D558-S562 WeakPolarHBondContact O-CB 3.47Å; D558-S562 PolarHBondContact O-N 3Å; D558-S562 PolarHBondContact O-OG 3.05Å; V559-S562 PolarHBondContact O-N 2.93Å; A560-S562 VanDerWaalsContact C-N 3.34Å; A560-S562 PolarHBondContact O-N 3.04Å; S562-D565 PolarHBondContact O-N 3.29Å; S562-Y566 WeakPolarHBondContact O-CB 3.48Å; S562-Y566 PolarHBondContact O-N 3.49Å
563T98.1Very high96.6Very high25 Ų2560.3 Ų60.315%0.15330%0.298CS..Hα-helixtrans-63.5-41.9175.1-59.90000111.9W524 L525 V559 A560 Q561 Y566 G567W524-T563 HydrophobicContact CB-CG2 4.01Å; W524-T563 HydrophobicContact CE3-CG2 4.49Å; L525-T563 HydrophobicContact CB-CG2 4.45Å; V559-T563 PolarHBondContact O-N 2.62Å; V559-T563 PolarHBondContact O-OG1 2.93Å; V559-T563 VanDerWaalsContact O-OG1 3.07Å; A560-T563 PolarHBondContact O-N 2.69Å; Q561-T563 PolarHBondContact O-N 3.38Å; T563-Y566 PolarHBondContact O-N 3.02Å; T563-G567 PolarHBondContact O-N 2.82Å
564Y98.1Very high96.3Very high27 Ų2760.3 Ų60.311%0.10630%0.298CS..Hα-helixtrans-63.7-47.3175.3172-109.1000112.2L525 A560 Q561 Y566 G567 R568 L595 N596 W599L525-Y564 HydrophobicContact CD2-CD2 4.23Å; A560-Y564 WeakPolarHBondContact O-CB 3.44Å; A560-Y564 PolarHBondContact O-N 3.16Å; Q561-Y564 WeakPolarHBondContact O-CB 3.49Å; Q561-Y564 PolarHBondContact O-N 3.1Å; Y564-Y566 VanDerWaalsContact C-N 3.32Å; Y564-Y566 PolarHBondContact O-N 2.83Å; Y564-G567 PolarHBondContact O-N 3.23Å; Y564-R568 HydrophobicContact CE1-CG 4.24Å; Y564-R568 HydrophobicContact CE2-CG 4.11Å; Y564-R568 PolarHBondContact O-N 3.44Å; Y564-R568 WeakPolarHBondContact OH-CD 3.42Å; Y564-L595 HydrophobicContact CD2-CD1 4.04Å; Y564-L595 HydrophobicContact CD2-CD2 4.15Å; Y564-L595 HydrophobicContact CD2-CG 3.73Å; Y564-L595 HydrophobicContact CE2-CD2 4.25Å; Y564-L595 HydrophobicContact CE2-CG 3.89Å; Y564-N596 WeakPolarHBondContact CE2-OD1 3.42Å; Y564-N596 PolarHBondContact OH-OD1 2.93Å; Y564-W599 AromaticContact CD1-CD1 3.99Å; Y564-W599 AromaticContact CD1-CD2 3.77Å; Y564-W599 HydrophobicContact CD1-CD2 3.77Å; Y564-W599 AromaticContact CD1-CE2 3.85Å; Y564-W599 HydrophobicContact CD1-CE3 4.31Å; Y564-W599 AromaticContact CD1-CG 3.92Å; Y564-W599 HydrophobicContact CD1-CG 3.92Å; Y564-W599 HydrophobicContact CD1-CZ2 4.49Å; Y564-W599 AromaticContact CD1-NE1 3.92Å; Y564-W599 HydrophobicContact CD2-CB 3.43Å; Y564-W599 VanDerWaalsContact CD2-CB 3.43Å; Y564-W599 AromaticContact CD2-CD2 3.86Å; Y564-W599 HydrophobicContact CD2-CD2 3.86Å; Y564-W599 HydrophobicContact CD2-CE3 4.26Å; Y564-W599 AromaticContact CD2-CG 3.46Å; Y564-W599 HydrophobicContact CD2-CG 3.46Å; Y564-W599 VanDerWaalsContact CD2-CG 3.46Å; Y564-W599 AromaticContact CE1-CD1 3.63Å; Y564-W599 HydrophobicContact CE1-CD2 4.21Å; Y564-W599 AromaticContact CE1-CG 3.95Å; Y564-W599 HydrophobicContact CE1-CG 3.95Å; Y564-W599 AromaticContact CE1-NE1 3.72Å; Y564-W599 HydrophobicContact CE2-CB 3.45Å; Y564-W599 VanDerWaalsContact CE2-CB 3.45Å; Y564-W599 AromaticContact CE2-CD1 3.74Å; Y564-W599 HydrophobicContact CE2-CD2 4.31Å; Y564-W599 AromaticContact CE2-CG 3.51Å; Y564-W599 HydrophobicContact CE2-CG 3.51Å; Y564-W599 HydrophobicContact CG-CB 4.09Å; Y564-W599 AromaticContact CG-CD2 3.54Å; Y564-W599 HydrophobicContact CG-CD2 3.54Å; Y564-W599 AromaticContact CG-CE3 3.79Å; Y564-W599 HydrophobicContact CG-CE3 3.79Å; Y564-W599 AromaticContact CG-CG 3.65Å; Y564-W599 HydrophobicContact CG-CG 3.65Å; Y564-W599 AromaticContact CZ-CD1 3.46Å; Y564-W599 VanDerWaalsContact CZ-CD1 3.46Å; Y564-W599 AromaticContact CZ-CG 3.73Å
565D97.6Very high96Very high48 Ų4858.8 Ų58.826%0.25730%0.296SS..Hα-helixtrans-64.2-37.6178.7-75.1-35.5000111.9Q561 S562 R568 Q569Q561-D565 VanDerWaalsContact NE2-CG 3.32Å; Q561-D565 PolarHBondContact NE2-OD1 3.33Å; Q561-D565 PolarHBondContact NE2-OD2 2.97Å; Q561-D565 WeakPolarHBondContact O-CB 3.34Å; Q561-D565 PolarHBondContact O-N 3Å; S562-D565 PolarHBondContact O-N 3.29Å; D565-R568 PolarHBondContact O-N 3.15Å; D565-R568 IonicContact OD1-NH1 2.74Å; D565-Q569 VanDerWaalsContact O-CG 3.26Å; D565-Q569 WeakPolarHBondContact O-CG 3.4Å; D565-Q569 PolarHBondContact O-N 2.92Å
566Y97.9Very high95.7Very high96 Ų9655.5 Ų55.538%0.37629%0.288SS..Hα-helixtrans-58.5-51.5171.5177.5-115000111.7A521 W524 S562 T563 Y564 R568 Q569 L570A521-Y566 HydrophobicContact CB-CD1 4.42Å; W524-Y566 HydrophobicContact CZ3-CE1 4.34Å; S562-Y566 WeakPolarHBondContact O-CB 3.48Å; S562-Y566 PolarHBondContact O-N 3.49Å; T563-Y566 PolarHBondContact O-N 3.02Å; Y564-Y566 VanDerWaalsContact C-N 3.32Å; Y564-Y566 PolarHBondContact O-N 2.83Å; Y566-R568 VanDerWaalsContact C-N 3.28Å; Y566-R568 PolarHBondContact O-N 3.4Å; Y566-Q569 PolarHBondContact O-N 2.85Å; Y566-Q569 VanDerWaalsContact O-N 3.15Å; Y566-L570 HydrophobicContact CD1-CD1 4Å; Y566-L570 HydrophobicContact CD2-CG 4.5Å; Y566-L570 HydrophobicContact CE1-CD1 3.5Å; Y566-L570 VanDerWaalsContact CE1-CD1 3.5Å; Y566-L570 HydrophobicContact CE1-CG 4.34Å; Y566-L570 HydrophobicContact CE2-CD1 4.14Å; Y566-L570 HydrophobicContact CE2-CD2 4.23Å; Y566-L570 HydrophobicContact CE2-CG 4.13Å; Y566-L570 WeakPolarHBondContact O-CG 3.28Å; Y566-L570 PolarHBondContact O-N 3.44Å
567G96.4Very high95.4Very high0 Ų055.1 Ų55.10%029%0.288CS..Hα-helixtrans-57.9-39.1176.100000113T563 Y564 L571T563-G567 PolarHBondContact O-N 2.82Å; Y564-G567 PolarHBondContact O-N 3.23Å; G567-L571 WeakPolarHBondContact O-CD1 3.49Å; G567-L571 VanDerWaalsContact O-CG 3.3Å; G567-L571 WeakPolarHBondContact O-CG 3.36Å; G567-L571 PolarHBondContact O-N 3.48Å; G567-L571 VanDerWaalsContact O-N 3.1Å
568R95.3Very high95Very high123 Ų12353.9 Ų53.946%0.46428%0.281SS..Hα-helixtrans-66-42.5174.8-76.7-173.163-126.80.6113.1Y564 D565 Y566 L570 L571 Q572 L595Y564-R568 HydrophobicContact CE1-CG 4.24Å; Y564-R568 HydrophobicContact CE2-CG 4.11Å; Y564-R568 PolarHBondContact O-N 3.44Å; Y564-R568 WeakPolarHBondContact OH-CD 3.42Å; D565-R568 PolarHBondContact O-N 3.15Å; D565-R568 IonicContact OD1-NH1 2.74Å; Y566-R568 VanDerWaalsContact C-N 3.28Å; Y566-R568 PolarHBondContact O-N 3.4Å; R568-L570 VanDerWaalsContact C-N 3.33Å; R568-L571 PolarHBondContact O-N 3.29Å; R568-Q572 WeakPolarHBondContact O-CB 3.5Å; R568-Q572 PolarHBondContact O-N 2.87Å; R568-L595 HydrophobicContact CG-CD2 3.96Å
569Q96.5Very high94.5Very high131 Ų13155.6 Ų55.661%0.61229%0.286SS*.Hα-helixtrans-62.9-41.4177.6-73.1172.827.700111.3D565 Y566 Q572 A573D565-Q569 VanDerWaalsContact O-CG 3.26Å; D565-Q569 WeakPolarHBondContact O-CG 3.4Å; D565-Q569 PolarHBondContact O-N 2.92Å; Y566-Q569 PolarHBondContact O-N 2.85Å; Y566-Q569 VanDerWaalsContact O-N 3.15Å; Q569-Q572 WeakPolarHBondContact O-CB 3.32Å; Q569-Q572 PolarHBondContact O-N 3.26Å; Q569-A573 PolarHBondContact O-N 2.98Å
570L95.3Very high94.1Very high18 Ų1855.1 Ų55.19%0.09429%0.285CS..Hα-helixtrans-60.5-46.9174.3-69.4173.9000112C514 D517 A518 Y566 R568 Q572 A573 T574C514-L570 HydrophobicContact CB-CD2 4.44Å; D517-L570 HydrophobicContact CB-CD1 3.54Å; D517-L570 HydrophobicContact CB-CD2 4.45Å; A518-L570 HydrophobicContact CB-CB 4.1Å; A518-L570 HydrophobicContact CB-CD1 4.39Å; Y566-L570 HydrophobicContact CD1-CD1 4Å; Y566-L570 HydrophobicContact CD2-CG 4.5Å; Y566-L570 HydrophobicContact CE1-CD1 3.5Å; Y566-L570 VanDerWaalsContact CE1-CD1 3.5Å; Y566-L570 HydrophobicContact CE1-CG 4.34Å; Y566-L570 HydrophobicContact CE2-CD1 4.14Å; Y566-L570 HydrophobicContact CE2-CD2 4.23Å; Y566-L570 HydrophobicContact CE2-CG 4.13Å; Y566-L570 WeakPolarHBondContact O-CG 3.28Å; Y566-L570 PolarHBondContact O-N 3.44Å; R568-L570 VanDerWaalsContact C-N 3.33Å; L570-Q572 VanDerWaalsContact C-N 3.3Å; L570-Q572 PolarHBondContact O-N 3.45Å; L570-A573 WeakPolarHBondContact O-CB 3.42Å; L570-A573 PolarHBondContact O-N 3.33Å; L570-A573 VanDerWaalsContact O-N 3.14Å; L570-T574 PolarHBondContact O-N 2.84Å; L570-T574 PolarHBondContact O-OG1 3.05Å; L570-T574 VanDerWaalsContact O-OG1 3.11Å
571L92.8Very high93.7Very high7 Ų755.7 Ų55.74%0.03729%0.288CS..Hα-helixtrans-64.7-34.5177.6-69.1164.9000112.3A518 G567 R568 T574 V575 S588 T591 L592 L595A518-L571 HydrophobicContact CB-CD2 3.84Å; A518-L571 HydrophobicContact CB-CG 3.87Å; G567-L571 WeakPolarHBondContact O-CD1 3.49Å; G567-L571 VanDerWaalsContact O-CG 3.3Å; G567-L571 WeakPolarHBondContact O-CG 3.36Å; G567-L571 PolarHBondContact O-N 3.48Å; G567-L571 VanDerWaalsContact O-N 3.1Å; R568-L571 PolarHBondContact O-N 3.29Å; L571-T574 WeakPolarHBondContact O-CB 3.3Å; L571-T574 PolarHBondContact O-N 2.87Å; L571-V575 WeakPolarHBondContact O-CG2 3.47Å; L571-V575 PolarHBondContact O-N 3.41Å; L571-V575 VanDerWaalsContact O-N 3.14Å; L571-S588 WeakPolarHBondContact CD2-OG 3.48Å; L571-T591 HydrophobicContact CD1-CG2 4.42Å; L571-T591 HydrophobicContact CD2-CG2 3.96Å; L571-L592 HydrophobicContact CD1-CB 3.89Å; L571-L592 HydrophobicContact CD1-CD1 3.81Å; L571-L592 HydrophobicContact CD1-CG 4.47Å; L571-L595 HydrophobicContact CD1-CD2 3.86Å
572Q92.1Very high93.1Very high119 Ų11962.8 Ų62.856%0.55631%0.312SS*.Hα-helixtrans-65.7-42172.3-175.6623500111.4R568 Q569 L570 T574 V575 V576R568-Q572 WeakPolarHBondContact O-CB 3.5Å; R568-Q572 PolarHBondContact O-N 2.87Å; Q569-Q572 WeakPolarHBondContact O-CB 3.32Å; Q569-Q572 PolarHBondContact O-N 3.26Å; L570-Q572 VanDerWaalsContact C-N 3.3Å; L570-Q572 PolarHBondContact O-N 3.45Å; Q572-T574 VanDerWaalsContact C-N 3.33Å; Q572-T574 PolarHBondContact O-N 2.99Å; Q572-V575 PolarHBondContact O-N 3.47Å; Q572-V576 WeakPolarHBondContact O-CG2 3.21Å; Q572-V576 PolarHBondContact O-N 2.9Å; Q572-V576 VanDerWaalsContact O-N 3.13Å
573A92.6Very high92.1Very high37 Ų3760 Ų6031%0.30629%0.293SS..Hα-helixtrans-61.3-41.7174.400000111.5Q569 L570 V575 V576 L577Q569-A573 PolarHBondContact O-N 2.98Å; L570-A573 WeakPolarHBondContact O-CB 3.42Å; L570-A573 PolarHBondContact O-N 3.33Å; L570-A573 VanDerWaalsContact O-N 3.14Å; A573-V575 VanDerWaalsContact C-N 3.31Å; A573-V575 PolarHBondContact O-N 2.94Å; A573-V576 PolarHBondContact O-N 2.84Å; A573-L577 WeakPolarHBondContact O-CB 3.36Å; A573-L577 VanDerWaalsContact O-CG 3.32Å; A573-L577 WeakPolarHBondContact O-CG 3.42Å; A573-L577 PolarHBondContact O-N 3.17Å
574T91.1Very high90.3Very high2 Ų265 Ų651%0.01232%0.323CS..Hα-helixtrans-55.2-43.9172.9-60.20000111.7L511 C514 E515 L570 L571 Q572 L577 C578L511-T574 HydrophobicContact CD1-CG2 3.48Å; L511-T574 VanDerWaalsContact CD1-CG2 3.48Å; C514-T574 WeakPolarHBondContact CB-OG1 3.48Å; E515-T574 HydrophobicContact CG-CG2 3.88Å; L570-T574 PolarHBondContact O-N 2.84Å; L570-T574 PolarHBondContact O-OG1 3.05Å; L570-T574 VanDerWaalsContact O-OG1 3.11Å; L571-T574 WeakPolarHBondContact O-CB 3.3Å; L571-T574 PolarHBondContact O-N 2.87Å; Q572-T574 VanDerWaalsContact C-N 3.33Å; Q572-T574 PolarHBondContact O-N 2.99Å; T574-L577 PolarHBondContact O-N 3.37Å; T574-C578 WeakPolarHBondContact O-CB 3.35Å; T574-C578 PolarHBondContact O-N 3.07Å; T574-C578 PolarHBondContact O-SG 2.85Å; T574-C578 VanDerWaalsContact O-SG 3.4Å
575V89.5Confident88.5Confident64 Ų6470.2 Ų70.239%0.38836%0.358SS..Hα-helixtrans-62.6-46.4177172.70000111.7L571 Q572 A573 L577 C578 Q579L571-V575 WeakPolarHBondContact O-CG2 3.47Å; L571-V575 PolarHBondContact O-N 3.41Å; L571-V575 VanDerWaalsContact O-N 3.14Å; Q572-V575 PolarHBondContact O-N 3.47Å; A573-V575 VanDerWaalsContact C-N 3.31Å; A573-V575 PolarHBondContact O-N 2.94Å; V575-L577 PolarHBondContact O-N 2.82Å; V575-C578 PolarHBondContact O-N 3.18Å; V575-Q579 WeakPolarHBondContact O-CG 3.42Å; V575-Q579 PolarHBondContact O-N 3.17Å
576V91.1Very high87.1Confident79 Ų7971 Ų7148%0.47936%0.357SS..Hα-helixtrans-62.5-43.5178.8174.40000111Q572 A573 Q579 S580Q572-V576 WeakPolarHBondContact O-CG2 3.21Å; Q572-V576 PolarHBondContact O-N 2.9Å; Q572-V576 VanDerWaalsContact O-N 3.13Å; A573-V576 PolarHBondContact O-N 2.84Å; V576-Q579 PolarHBondContact O-N 3.37Å; V576-S580 PolarHBondContact O-N 2.75Å
577L91.3Very high85.3Confident24 Ų2471 Ų7113%0.12637%0.372CS..Hα-helixtrans-64.6-43.3177.2-71.5168.9000111.6Q507 Q510 L511 A573 T574 V575 Q579 S580 L581Q507-L577 HydrophobicContact CB-CD2 3.98Å; Q507-L577 HydrophobicContact CG-CD2 4.02Å; Q510-L577 HydrophobicContact CB-CD1 4.14Å; Q510-L577 HydrophobicContact CG-CD1 3.89Å; L511-L577 HydrophobicContact CB-CB 4.29Å; L511-L577 HydrophobicContact CB-CD1 4.19Å; L511-L577 HydrophobicContact CD1-CB 3.97Å; A573-L577 WeakPolarHBondContact O-CB 3.36Å; A573-L577 VanDerWaalsContact O-CG 3.32Å; A573-L577 WeakPolarHBondContact O-CG 3.42Å; A573-L577 PolarHBondContact O-N 3.17Å; T574-L577 PolarHBondContact O-N 3.37Å; V575-L577 PolarHBondContact O-N 2.82Å; L577-Q579 VanDerWaalsContact C-N 3.29Å; L577-Q579 PolarHBondContact O-N 3.13Å; L577-S580 PolarHBondContact O-N 3.16Å; L577-L581 VanDerWaalsContact O-CB 3.3Å; L577-L581 WeakPolarHBondContact O-CB 3.41Å; L577-L581 VanDerWaalsContact O-CG 3.23Å; L577-L581 WeakPolarHBondContact O-CG 3.44Å; L577-L581 PolarHBondContact O-N 3.28Å
578C89.2Confident83.8Confident12 Ų1272.2 Ų72.28%0.08138%0.38CS..Hα-helixtrans-60.3-37.7175-78.30000112.5T574 V575 R582 C583T574-C578 WeakPolarHBondContact O-CB 3.35Å; T574-C578 PolarHBondContact O-N 3.07Å; T574-C578 PolarHBondContact O-SG 2.85Å; T574-C578 VanDerWaalsContact O-SG 3.4Å; V575-C578 PolarHBondContact O-N 3.18Å; C578-R582 CarbonylContact O-C 3.59Å; C578-R582 WeakPolarHBondContact O-CA 3.41Å; C578-R582 PolarHBondContact O-N 3.32Å; C578-C583 PolarHBondContact O-N 3.02Å
579Q88.6Confident82.5Confident134 Ų13468 Ų6863%0.62638%0.375SS*.Hα-helixtrans-66.5-48.2174.9-71.2173.44.100111.8V575 V576 L577 L581 R582V575-Q579 WeakPolarHBondContact O-CG 3.42Å; V575-Q579 PolarHBondContact O-N 3.17Å; V576-Q579 PolarHBondContact O-N 3.37Å; L577-Q579 VanDerWaalsContact C-N 3.29Å; L577-Q579 PolarHBondContact O-N 3.13Å; Q579-L581 VanDerWaalsContact C-N 3.3Å; Q579-L581 PolarHBondContact O-N 3.1Å; Q579-R582 PolarHBondContact O-N 3.43Å; Q579-R582 VanDerWaalsContact O-N 3.16Å
580S89.2Confident81.9Confident67 Ų6767.9 Ų67.947%0.46938%0.379SS..Hα-helixtrans-56.3-44.9176.6-177.40000111.7Q507 V576 L577 R582Q507-S580 PolarHBondContact NE2-OG 3.35Å; Q507-S580 PolarHBondContact OE1-OG 2.74Å; V576-S580 PolarHBondContact O-N 2.75Å; L577-S580 PolarHBondContact O-N 3.16Å; S580-R582 VanDerWaalsContact C-N 3.3Å; S580-R582 PolarHBondContact O-N 3.1Å
581L88.5Confident81.7Confident12 Ų1267.8 Ų67.86%0.06338%0.379CS..Hα-helixtrans-80.7-8.2-177.7-65.9169.1000113.9K504 Q507 M508 L511 L577 Q579 C583K504-L581 HydrophobicContact CG-CD2 3.63Å; K504-L581 WeakPolarHBondContact O-CD2 3.37Å; Q507-L581 HydrophobicContact CB-CD1 4.27Å; Q507-L581 HydrophobicContact CB-CD2 3.9Å; Q507-L581 HydrophobicContact CB-CG 4.24Å; M508-L581 HydrophobicContact CB-CD1 4.44Å; M508-L581 HydrophobicContact CG-CD1 3.63Å; M508-L581 HydrophobicContact CG-CD2 3.79Å; M508-L581 HydrophobicContact CG-CG 4.33Å; L511-L581 HydrophobicContact CB-CD1 4.48Å; L511-L581 HydrophobicContact CD2-CD1 4.05Å; L577-L581 VanDerWaalsContact O-CB 3.3Å; L577-L581 WeakPolarHBondContact O-CB 3.41Å; L577-L581 VanDerWaalsContact O-CG 3.23Å; L577-L581 WeakPolarHBondContact O-CG 3.44Å; L577-L581 PolarHBondContact O-N 3.28Å; Q579-L581 VanDerWaalsContact C-N 3.3Å; Q579-L581 PolarHBondContact O-N 3.1Å; L581-C583 HydrophobicContact CB-CB 4.38Å; L581-C583 PolarHBondContact O-N 3.48Å
582R85.6Confident81.7Confident216 Ų21670.9 Ų70.982%0.81540%0.395SS*.THydrogen-bonded Turntrans57.332.4-171.3-53.2-177.2179-170.3-0.6113.4C578 Q579 S580 T584C578-R582 CarbonylContact O-C 3.59Å; C578-R582 WeakPolarHBondContact O-CA 3.41Å; C578-R582 PolarHBondContact O-N 3.32Å; Q579-R582 PolarHBondContact O-N 3.43Å; Q579-R582 VanDerWaalsContact O-N 3.16Å; S580-R582 VanDerWaalsContact C-N 3.3Å; S580-R582 PolarHBondContact O-N 3.1Å; R582-T584 VanDerWaalsContact C-N 3.34Å; R582-T584 PolarHBondContact O-N 2.92Å
583C76.9Confident81.7Confident20 Ų2068.6 Ų68.614%0.13539%0.391CS..  trans-92.157.6178.6-65.30000111.2C578 L581 T585 R586C578-C583 PolarHBondContact O-N 3.02Å; L581-C583 HydrophobicContact CB-CB 4.38Å; L581-C583 PolarHBondContact O-N 3.48Å; C583-T585 PolarHBondContact O-N 3.48Å; C583-T585 VanDerWaalsContact O-N 3.14Å; C583-R586 HydrophobicContact CB-CB 4.48Å; C583-R586 PolarHBondContact O-N 2.87Å
584T61.6Low81.8Confident128 Ų12872.6 Ų72.679%0.78540%0.398SS*.THydrogen-bonded Turntrans-69.8-10.8-17055.50000114.9R582R582-T584 VanDerWaalsContact C-N 3.34Å; R582-T584 PolarHBondContact O-N 2.92Å
585T59.4Low82.1Confident137 Ų13772.5 Ų72.584%0.8440%0.397SS*.THydrogen-bonded Turntrans-94.9-8.6179.151.40000113.5C583 S587C583-T585 PolarHBondContact O-N 3.48Å; C583-T585 VanDerWaalsContact O-N 3.14Å; T585-S587 PolarHBondContact O-N 2.64Å
586R68.1Low82.4Confident64 Ų6471.8 Ų71.824%0.24239%0.391CS..  trans-92.794.5-179.6-163.4165.8-164.3-95.3-20.1108.9F512 E515 C583F512-R586 VanDerWaalsContact CD1-NH2 3.28Å; F512-R586 VanDerWaalsContact CE1-CZ 3.45Å; E515-R586 IonicContact OE1-CZ 2.66Å; E515-R586 IonicContact OE1-NH1 3.51Å; E515-R586 PolarHBondContact OE1-NH1 3.32Å; E515-R586 IonicContact OE1-NH2 2.88Å; E515-R586 IonicContact OE2-CZ 2.83Å; E515-R586 IonicContact OE2-NH1 3.23Å; E515-R586 PolarHBondContact OE2-NH1 2.88Å; E515-R586 IonicContact OE2-NH2 3.15Å; E515-R586 PolarHBondContact OE2-NH2 3.14Å; C583-R586 HydrophobicContact CB-CB 4.48Å; C583-R586 PolarHBondContact O-N 2.87Å
587S60.3Low82.6Confident98 Ų9874.7 Ų74.769%0.68539%0.394SS*.  trans-100.3127.1175.579.20000110T585 G589T585-S587 PolarHBondContact O-N 2.64Å; S587-G589 PolarHBondContact O-N 2.73Å; S587-G589 PolarHBondContact OG-N 2.96Å
588S64.8Low82.8Confident24 Ų2474.6 Ų74.617%0.16839%0.394CS..  trans-68.732.2155.363.10000111.1L571 D590 T591L571-S588 WeakPolarHBondContact CD2-OG 3.48Å; S588-D590 PolarHBondContact O-N 3.42Å; S588-T591 WeakPolarHBondContact O-CB 3.35Å; S588-T591 PolarHBondContact O-N 3.28Å
589G68.3Low83.2Confident35 Ų3575.5 Ų75.536%0.36140%0.395SS..THydrogen-bonded Turntrans-59.4-30.6-153.600000113.4S587 P593S587-G589 PolarHBondContact O-N 2.73Å; S587-G589 PolarHBondContact OG-N 2.96Å; G589-P593 WeakPolarHBondContact O-CD 3.49Å; G589-P593 WeakPolarHBondContact O-CG 3.45Å
590D82.9Confident83.6Confident129 Ų12974.9 Ų74.969%0.6939%0.391SS*.THydrogen-bonded Turntrans-90.5-19.8178.8-65-22.4000113.3S588 P593 R594S588-D590 PolarHBondContact O-N 3.42Å; D590-P593 WeakPolarHBondContact O-CD 3.16Å; D590-R594 WeakPolarHBondContact O-CB 3.49Å; D590-R594 WeakPolarHBondContact O-CD 3.37Å; D590-R594 WeakPolarHBondContact O-CG 3.38Å; D590-R594 PolarHBondContact O-N 3.42Å
591T91.8Very high84Confident16 Ų1672.8 Ų72.810%0.09837%0.374CS..Hα-helixtrans-68.1-43.3-178.6-51.40000111.6A518 L519 V522 L571 S588 R594 L595A518-T591 HydrophobicContact CB-CG2 4.17Å; L519-T591 HydrophobicContact CD2-CG2 3.95Å; L519-T591 HydrophobicContact CG-CG2 4.27Å; V522-T591 HydrophobicContact CG2-CG2 4.19Å; L571-T591 HydrophobicContact CD1-CG2 4.42Å; L571-T591 HydrophobicContact CD2-CG2 3.96Å; S588-T591 WeakPolarHBondContact O-CB 3.35Å; S588-T591 PolarHBondContact O-N 3.28Å; T591-R594 PolarHBondContact O-N 3.12Å; T591-L595 WeakPolarHBondContact O-CB 3.43Å; T591-L595 PolarHBondContact O-N 2.91Å
592L92.4Very high84.4Confident72 Ų7272.2 Ų72.238%0.37737%0.371SS..Hα-helixtrans-64.7-47.6177.8179.564.7000112.5L571 R594 L595 N596L571-L592 HydrophobicContact CD1-CB 3.89Å; L571-L592 HydrophobicContact CD1-CD1 3.81Å; L571-L592 HydrophobicContact CD1-CG 4.47Å; L592-R594 VanDerWaalsContact C-N 3.32Å; L592-R594 PolarHBondContact O-N 3.01Å; L592-L595 PolarHBondContact O-N 3.1Å; L592-N596 WeakPolarHBondContact O-CB 3.32Å; L592-N596 VanDerWaalsContact O-CG 3.3Å; L592-N596 PolarHBondContact O-N 3.26Å; L592-N596 PolarHBondContact O-ND2 3.39Å
593P93.1Very high85Confident71 Ų7164 Ų6446%0.46134%0.344SS..Hα-helixtrans-55.9-42170.5-27.434.4000113.5G589 D590 N596 R597G589-P593 WeakPolarHBondContact O-CD 3.49Å; G589-P593 WeakPolarHBondContact O-CG 3.45Å; D590-P593 WeakPolarHBondContact O-CD 3.16Å; P593-N596 PolarHBondContact O-N 3.11Å; P593-R597 WeakPolarHBondContact O-CB 3.39Å; P593-R597 PolarHBondContact O-N 3.46Å
594R94.8Very high85.9Confident121 Ų12165.5 Ų65.546%0.45735%0.353SS..Hα-helixtrans-63-48.8176.7-74.8171.866.9-163.6-1.4111.8V522 D590 T591 L592 N596 R597 V598V522-R594 HydrophobicContact CG1-CB 4.22Å; D590-R594 WeakPolarHBondContact O-CB 3.49Å; D590-R594 WeakPolarHBondContact O-CD 3.37Å; D590-R594 WeakPolarHBondContact O-CG 3.38Å; D590-R594 PolarHBondContact O-N 3.42Å; T591-R594 PolarHBondContact O-N 3.12Å; L592-R594 VanDerWaalsContact C-N 3.32Å; L592-R594 PolarHBondContact O-N 3.01Å; R594-N596 VanDerWaalsContact C-N 3.33Å; R594-N596 PolarHBondContact O-N 2.81Å; R594-R597 WeakPolarHBondContact O-CB 3.39Å; R594-R597 PolarHBondContact O-N 2.64Å; R594-R597 VanDerWaalsContact O-N 3.15Å; R594-V598 WeakPolarHBondContact O-CG2 3.3Å; R594-V598 PolarHBondContact O-N 2.88Å
595L96.1Very high87.5Confident0 Ų059.4 Ų59.40%032%0.316CS..Hα-helixtrans-56.6-48.1176.1-175.565000111.2V522 L525 Y564 R568 L571 T591 L592 R597 V598 W599V522-L595 HydrophobicContact CG2-CB 3.76Å; V522-L595 HydrophobicContact CG2-CD1 3.91Å; V522-L595 HydrophobicContact CG2-CG 4.42Å; L525-L595 HydrophobicContact CD2-CD1 4.03Å; Y564-L595 HydrophobicContact CD2-CD1 4.04Å; Y564-L595 HydrophobicContact CD2-CD2 4.15Å; Y564-L595 HydrophobicContact CD2-CG 3.73Å; Y564-L595 HydrophobicContact CE2-CD2 4.25Å; Y564-L595 HydrophobicContact CE2-CG 3.89Å; R568-L595 HydrophobicContact CG-CD2 3.96Å; L571-L595 HydrophobicContact CD1-CD2 3.86Å; T591-L595 WeakPolarHBondContact O-CB 3.43Å; T591-L595 PolarHBondContact O-N 2.91Å; L592-L595 PolarHBondContact O-N 3.1Å; L595-R597 VanDerWaalsContact C-N 3.32Å; L595-R597 PolarHBondContact O-N 2.98Å; L595-V598 PolarHBondContact O-N 2.77Å; L595-W599 VanDerWaalsContact O-CB 3.28Å; L595-W599 WeakPolarHBondContact O-CB 3.42Å; L595-W599 PolarHBondContact O-N 3.32Å
596N95.6Very high89.3Confident48 Ų4853 Ų5326%0.25728%0.277SS..Hα-helixtrans-64.3-34.6177.6-74.5-28.1000113Y564 L592 P593 R594 K600Y564-N596 WeakPolarHBondContact CE2-OD1 3.42Å; Y564-N596 PolarHBondContact OH-OD1 2.93Å; L592-N596 WeakPolarHBondContact O-CB 3.32Å; L592-N596 VanDerWaalsContact O-CG 3.3Å; L592-N596 PolarHBondContact O-N 3.26Å; L592-N596 PolarHBondContact O-ND2 3.39Å; P593-N596 PolarHBondContact O-N 3.11Å; R594-N596 VanDerWaalsContact C-N 3.33Å; R594-N596 PolarHBondContact O-N 2.81Å; N596-K600 WeakPolarHBondContact O-CB 3.43Å; N596-K600 VanDerWaalsContact O-CG 3.26Å; N596-K600 WeakPolarHBondContact O-CG 3.48Å; N596-K600 PolarHBondContact O-N 3.16Å
597R95.6Very high90.6Very high141 Ų14153.8 Ų53.853%0.53229%0.286SS..Hα-helixtrans-66-52.8176.8178.9-179.5-179.2-178.9-0.9110.8P593 R594 L595 W599 K600 Q601 D659P593-R597 WeakPolarHBondContact O-CB 3.39Å; P593-R597 PolarHBondContact O-N 3.46Å; R594-R597 WeakPolarHBondContact O-CB 3.39Å; R594-R597 PolarHBondContact O-N 2.64Å; R594-R597 VanDerWaalsContact O-N 3.15Å; L595-R597 VanDerWaalsContact C-N 3.32Å; L595-R597 PolarHBondContact O-N 2.98Å; R597-W599 VanDerWaalsContact C-N 3.29Å; R597-W599 PolarHBondContact O-N 3.15Å; R597-K600 PolarHBondContact O-N 3.49Å; R597-Q601 WeakPolarHBondContact O-CG 3.44Å; R597-Q601 PolarHBondContact O-N 3.24Å; R597-D659 IonicContact CZ-OD2 2.69Å; R597-D659 IonicContact NE-OD2 2.55Å; R597-D659 IonicContact NH2-OD2 3.82Å; R597-D659 PolarHBondContact NH2-OD2 3.44Å
598V96.7Very high92.3Very high21 Ų2150 Ų5013%0.12726%0.257CS..Hα-helixtrans-62.5-40.8-179.8-178.30000110.2V522 L525 L529 R594 L595 K600 Q601 F602V522-V598 HydrophobicContact CG1-CG2 4.29Å; L525-V598 HydrophobicContact CB-CG1 4.11Å; L525-V598 HydrophobicContact CD2-CB 4.25Å; L525-V598 HydrophobicContact CD2-CG1 4.09Å; L525-V598 HydrophobicContact CG-CG1 3.84Å; L529-V598 HydrophobicContact CD2-CG1 4.32Å; R594-V598 WeakPolarHBondContact O-CG2 3.3Å; R594-V598 PolarHBondContact O-N 2.88Å; L595-V598 PolarHBondContact O-N 2.77Å; V598-K600 PolarHBondContact O-N 2.85Å; V598-Q601 PolarHBondContact O-N 2.77Å; V598-F602 WeakPolarHBondContact O-CB 3.48Å; V598-F602 PolarHBondContact O-N 2.82Å
599W97.8Very high93.7Very high31 Ų3149.4 Ų49.412%0.11725%0.251CS..Hα-helixtrans-58.5-48.2174.6-179.8-114.8000112.7L525 A560 Q561 Y564 L595 R597 Q601 F602 T603L525-W599 HydrophobicContact CD1-CE3 3.91Å; L525-W599 HydrophobicContact CD1-CZ3 4.24Å; L525-W599 HydrophobicContact CD2-CB 3.88Å; L525-W599 HydrophobicContact CD2-CE3 4.08Å; A560-W599 HydrophobicContact CB-CZ3 4.05Å; Q561-W599 VanDerWaalsContact CA-CH2 3.49Å; Q561-W599 HydrophobicContact CB-CH2 3.8Å; Q561-W599 HydrophobicContact CB-CZ3 4.44Å; Q561-W599 HydrophobicContact CG-CH2 4.41Å; Y564-W599 AromaticContact CD1-CD1 3.99Å; Y564-W599 AromaticContact CD1-CD2 3.77Å; Y564-W599 HydrophobicContact CD1-CD2 3.77Å; Y564-W599 AromaticContact CD1-CE2 3.85Å; Y564-W599 HydrophobicContact CD1-CE3 4.31Å; Y564-W599 AromaticContact CD1-CG 3.92Å; Y564-W599 HydrophobicContact CD1-CG 3.92Å; Y564-W599 HydrophobicContact CD1-CZ2 4.49Å; Y564-W599 AromaticContact CD1-NE1 3.92Å; Y564-W599 HydrophobicContact CD2-CB 3.43Å; Y564-W599 VanDerWaalsContact CD2-CB 3.43Å; Y564-W599 AromaticContact CD2-CD2 3.86Å; Y564-W599 HydrophobicContact CD2-CD2 3.86Å; Y564-W599 HydrophobicContact CD2-CE3 4.26Å; Y564-W599 AromaticContact CD2-CG 3.46Å; Y564-W599 HydrophobicContact CD2-CG 3.46Å; Y564-W599 VanDerWaalsContact CD2-CG 3.46Å; Y564-W599 AromaticContact CE1-CD1 3.63Å; Y564-W599 HydrophobicContact CE1-CD2 4.21Å; Y564-W599 AromaticContact CE1-CG 3.95Å; Y564-W599 HydrophobicContact CE1-CG 3.95Å; Y564-W599 AromaticContact CE1-NE1 3.72Å; Y564-W599 HydrophobicContact CE2-CB 3.45Å; Y564-W599 VanDerWaalsContact CE2-CB 3.45Å; Y564-W599 AromaticContact CE2-CD1 3.74Å; Y564-W599 HydrophobicContact CE2-CD2 4.31Å; Y564-W599 AromaticContact CE2-CG 3.51Å; Y564-W599 HydrophobicContact CE2-CG 3.51Å; Y564-W599 HydrophobicContact CG-CB 4.09Å; Y564-W599 AromaticContact CG-CD2 3.54Å; Y564-W599 HydrophobicContact CG-CD2 3.54Å; Y564-W599 AromaticContact CG-CE3 3.79Å; Y564-W599 HydrophobicContact CG-CE3 3.79Å; Y564-W599 AromaticContact CG-CG 3.65Å; Y564-W599 HydrophobicContact CG-CG 3.65Å; Y564-W599 AromaticContact CZ-CD1 3.46Å; Y564-W599 VanDerWaalsContact CZ-CD1 3.46Å; Y564-W599 AromaticContact CZ-CG 3.73Å; L595-W599 VanDerWaalsContact O-CB 3.28Å; L595-W599 WeakPolarHBondContact O-CB 3.42Å; L595-W599 PolarHBondContact O-N 3.32Å; R597-W599 VanDerWaalsContact C-N 3.29Å; R597-W599 PolarHBondContact O-N 3.15Å; W599-Q601 VanDerWaalsContact C-N 3.33Å; W599-Q601 PolarHBondContact O-N 3.08Å; W599-F602 HydrophobicContact CE3-CD1 4.33Å; W599-F602 HydrophobicContact CH2-CD1 4.39Å; W599-F602 AromaticContact CZ3-CD1 3.85Å; W599-F602 HydrophobicContact CZ3-CD1 3.85Å; W599-F602 HydrophobicContact CZ3-CE1 4.35Å; W599-F602 CarbonylContact O-C 3.6Å; W599-F602 WeakPolarHBondContact O-CB 3.37Å; W599-F602 PolarHBondContact O-N 2.77Å; W599-F602 VanDerWaalsContact O-N 3.15Å; W599-T603 PolarHBondContact O-N 3.19Å; W599-T603 PolarHBondContact O-OG1 3.49Å
600K96.6Very high95Very high122 Ų12250.6 Ų50.653%0.5325%0.247SC..Hα-helixtrans-61.3-41.1176.9-74.5175.8179.2-174.70112.4N596 R597 V598 F602 T603 V604 P658N596-K600 WeakPolarHBondContact O-CB 3.43Å; N596-K600 VanDerWaalsContact O-CG 3.26Å; N596-K600 WeakPolarHBondContact O-CG 3.48Å; N596-K600 PolarHBondContact O-N 3.16Å; R597-K600 PolarHBondContact O-N 3.49Å; V598-K600 PolarHBondContact O-N 2.85Å; K600-F602 VanDerWaalsContact C-N 3.31Å; K600-T603 PolarHBondContact O-N 3.39Å; K600-V604 WeakPolarHBondContact O-CG2 3.3Å; K600-V604 PolarHBondContact O-N 2.92Å; K600-P658 HydrophobicContact CB-CG 4.04Å
601Q96.4Very high95.6Very high23 Ų2348.6 Ų48.611%0.10723%0.234CC..Hα-helixtrans-62.9-40.3175.6-69.9174.1-29.300111.3L529 R597 V598 W599 S605 F657 D659L529-Q601 HydrophobicContact CD2-CB 3.64Å; R597-Q601 WeakPolarHBondContact O-CG 3.44Å; R597-Q601 PolarHBondContact O-N 3.24Å; V598-Q601 PolarHBondContact O-N 2.77Å; W599-Q601 VanDerWaalsContact C-N 3.33Å; W599-Q601 PolarHBondContact O-N 3.08Å; Q601-S605 WeakPolarHBondContact O-CB 3.45Å; Q601-S605 PolarHBondContact O-N 3.43Å; Q601-S605 VanDerWaalsContact O-N 3.1Å; Q601-S605 PolarHBondContact O-OG 3.32Å; Q601-F657 HydrophobicContact CB-CD1 4.24Å; Q601-F657 HydrophobicContact CB-CD2 4.18Å; Q601-F657 HydrophobicContact CB-CE1 4.04Å; Q601-F657 HydrophobicContact CB-CE2 3.95Å; Q601-F657 HydrophobicContact CB-CG 4.3Å; Q601-F657 HydrophobicContact CB-CZ 3.87Å; Q601-F657 HydrophobicContact CG-CB 4.23Å; Q601-F657 HydrophobicContact CG-CD1 4.17Å; Q601-F657 HydrophobicContact CG-CD2 3.61Å; Q601-F657 HydrophobicContact CG-CE1 4.4Å; Q601-F657 HydrophobicContact CG-CE2 3.85Å; Q601-F657 HydrophobicContact CG-CG 3.76Å; Q601-F657 HydrophobicContact CG-CZ 4.24Å; Q601-D659 PolarHBondContact NE2-OD2 3.41Å
602F97.5Very high95.7Very high0 Ų048.3 Ų48.30%023%0.231CC..Hα-helixtrans-62.3-51.7173-174.4-84000112.3L528 L529 L532 F556 V557 A560 V598 W599 K600 V604 S605 A606L528-F602 HydrophobicContact CB-CD2 4.42Å; L528-F602 HydrophobicContact CB-CE2 4.03Å; L529-F602 HydrophobicContact CB-CD2 4.15Å; L529-F602 HydrophobicContact CD1-CB 4.48Å; L532-F602 HydrophobicContact CB-CE2 4.39Å; L532-F602 HydrophobicContact CD2-CD2 4.14Å; L532-F602 HydrophobicContact CD2-CE2 3.89Å; L532-F602 HydrophobicContact CD2-CZ 4.16Å; F556-F602 HydrophobicContact CD1-CE2 4.37Å; F556-F602 AromaticContact CD1-CZ 3.94Å; F556-F602 HydrophobicContact CD1-CZ 3.94Å; F556-F602 AromaticContact CE1-CE2 3.57Å; F556-F602 HydrophobicContact CE1-CE2 3.57Å; F556-F602 AromaticContact CE1-CZ 3.59Å; F556-F602 HydrophobicContact CE1-CZ 3.59Å; F556-F602 HydrophobicContact CZ-CE2 4.19Å; V557-F602 HydrophobicContact CG2-CE1 4.3Å; A560-F602 HydrophobicContact CB-CD1 3.9Å; A560-F602 HydrophobicContact CB-CD2 4.25Å; A560-F602 HydrophobicContact CB-CE1 3.29Å; A560-F602 HydrophobicContact CB-CE2 3.68Å; A560-F602 HydrophobicContact CB-CG 4.36Å; A560-F602 HydrophobicContact CB-CZ 3.16Å; V598-F602 WeakPolarHBondContact O-CB 3.48Å; V598-F602 PolarHBondContact O-N 2.82Å; W599-F602 HydrophobicContact CE3-CD1 4.33Å; W599-F602 HydrophobicContact CH2-CD1 4.39Å; W599-F602 AromaticContact CZ3-CD1 3.85Å; W599-F602 HydrophobicContact CZ3-CD1 3.85Å; W599-F602 HydrophobicContact CZ3-CE1 4.35Å; W599-F602 CarbonylContact O-C 3.6Å; W599-F602 WeakPolarHBondContact O-CB 3.37Å; W599-F602 PolarHBondContact O-N 2.77Å; W599-F602 VanDerWaalsContact O-N 3.15Å; K600-F602 VanDerWaalsContact C-N 3.31Å; F602-V604 PolarHBondContact O-N 3Å; F602-S605 CarbonylContact O-C 3.35Å; F602-S605 PolarHBondContact O-N 3.24Å; F602-S605 VanDerWaalsContact O-N 3.16Å; F602-A606 HydrophobicContact CD1-CB 4.36Å; F602-A606 HydrophobicContact CE1-CB 4.05Å; F602-A606 WeakPolarHBondContact O-CB 3.49Å; F602-A606 PolarHBondContact O-N 3.42Å
603T97.4Very high95.9Very high42 Ų4244.9 Ų44.926%0.25821%0.213SC..Hα-helixtrans-60.2-46.3-178.4-49.70000111.6W599 K600 S605 A606 D607W599-T603 PolarHBondContact O-N 3.19Å; W599-T603 PolarHBondContact O-OG1 3.49Å; K600-T603 PolarHBondContact O-N 3.39Å; T603-S605 VanDerWaalsContact C-N 3.3Å; T603-S605 PolarHBondContact O-N 2.91Å; T603-A606 PolarHBondContact O-N 3.18Å; T603-A606 VanDerWaalsContact O-N 3.17Å; T603-D607 WeakPolarHBondContact O-CB 3.44Å; T603-D607 VanDerWaalsContact O-CG 3.23Å; T603-D607 PolarHBondContact O-N 2.86Å
604V96.1Very high96.1Very high53 Ų5345 Ų4532%0.32121%0.207SC..Hα-helixtrans-60.7-41.2177173.50000111.3K600 F602 E608 I655K600-V604 WeakPolarHBondContact O-CG2 3.3Å; K600-V604 PolarHBondContact O-N 2.92Å; F602-V604 PolarHBondContact O-N 3Å; V604-E608 WeakPolarHBondContact O-CB 3.43Å; V604-E608 PolarHBondContact O-N 3.04Å; V604-E608 VanDerWaalsContact O-N 3.1Å; V604-I655 HydrophobicContact CG1-CG2 3.71Å
605S95.9Very high96.1Very high0 Ų041.4 Ų41.40%020%0.197CC..Hα-helixtrans-67.7-40.4175.9-53.70000111.8Q601 F602 T603 E608 R609 F657 F665Q601-S605 WeakPolarHBondContact O-CB 3.45Å; Q601-S605 PolarHBondContact O-N 3.43Å; Q601-S605 VanDerWaalsContact O-N 3.1Å; Q601-S605 PolarHBondContact O-OG 3.32Å; F602-S605 CarbonylContact O-C 3.35Å; F602-S605 PolarHBondContact O-N 3.24Å; F602-S605 VanDerWaalsContact O-N 3.16Å; T603-S605 VanDerWaalsContact C-N 3.3Å; T603-S605 PolarHBondContact O-N 2.91Å; S605-E608 PolarHBondContact O-N 3.28Å; S605-R609 WeakPolarHBondContact O-CB 3.36Å; S605-R609 PolarHBondContact O-N 2.63Å; S605-F657 WeakPolarHBondContact OG-CE1 3.49Å; S605-F665 VanDerWaalsContact O-CZ 3.3Å; S605-F665 WeakPolarHBondContact O-CZ 3.37Å
606A96.8Very high96Very high3 Ų341.4 Ų41.43%0.02520%0.197CC..Hα-helixtrans-65.6-48-179.800000110.8L532 H553 V557 F602 T603 E608 R609 Q610L532-A606 HydrophobicContact CD2-CB 4.1Å; H553-A606 PolarHBondContact NE2-O 2.87Å; H553-A606 VanDerWaalsContact NE2-O 3.11Å; V557-A606 HydrophobicContact CG2-CB 3.77Å; F602-A606 HydrophobicContact CD1-CB 4.36Å; F602-A606 HydrophobicContact CE1-CB 4.05Å; F602-A606 WeakPolarHBondContact O-CB 3.49Å; F602-A606 PolarHBondContact O-N 3.42Å; T603-A606 PolarHBondContact O-N 3.18Å; T603-A606 VanDerWaalsContact O-N 3.17Å; A606-E608 VanDerWaalsContact C-N 3.32Å; A606-E608 PolarHBondContact O-N 3.2Å; A606-R609 PolarHBondContact O-N 3.4Å; A606-R609 VanDerWaalsContact O-N 3.16Å; A606-Q610 WeakPolarHBondContact O-CB 3.5Å; A606-Q610 PolarHBondContact O-N 2.86Å
607D96.2Very high96.1Very high80 Ų8040.2 Ų40.243%0.42819%0.191SC..Hα-helixtrans-59.8-43177.9-68.4-16000111.4T603 Q610 Q611T603-D607 WeakPolarHBondContact O-CB 3.44Å; T603-D607 VanDerWaalsContact O-CG 3.23Å; T603-D607 PolarHBondContact O-N 2.86Å; D607-Q610 PolarHBondContact O-N 2.92Å; D607-Q611 WeakPolarHBondContact O-CG 3.44Å; D607-Q611 PolarHBondContact O-N 3.02Å
608E94.6Very high96Very high18 Ų1838.2 Ų38.28%0.08419%0.19CC..Hα-helixtrans-64.4-42.1176.6179.659.9-160.500111.9V604 S605 A606 Q610 Q611 R612 R650 I655 F665V604-E608 WeakPolarHBondContact O-CB 3.43Å; V604-E608 PolarHBondContact O-N 3.04Å; V604-E608 VanDerWaalsContact O-N 3.1Å; S605-E608 PolarHBondContact O-N 3.28Å; A606-E608 VanDerWaalsContact C-N 3.32Å; A606-E608 PolarHBondContact O-N 3.2Å; E608-Q610 VanDerWaalsContact C-N 3.35Å; E608-Q611 PolarHBondContact O-N 3.4Å; E608-R612 WeakPolarHBondContact O-CG 3.41Å; E608-R612 PolarHBondContact O-N 3.44Å; E608-R612 IonicContact OE1-CZ 3.29Å; E608-R612 IonicContact OE1-NE 3.69Å; E608-R612 PolarHBondContact OE1-NE 3.24Å; E608-R612 IonicContact OE1-NH2 3.98Å; E608-R612 PolarHBondContact OE1-NH2 2.91Å; E608-R612 VanDerWaalsContact OE1-NH2 3.08Å; E608-R650 WeakPolarHBondContact OE1-CD 3.44Å; E608-R650 IonicContact OE1-CZ 3.75Å; E608-R650 IonicContact OE1-NE 2.9Å; E608-R650 PolarHBondContact OE1-NE 2.96Å; E608-R650 IonicContact OE1-NH2 3.73Å; E608-R650 IonicContact OE2-CZ 2.69Å; E608-R650 VanDerWaalsContact OE2-CZ 3.22Å; E608-R650 IonicContact OE2-NE 3.81Å; E608-R650 PolarHBondContact OE2-NE 3.47Å; E608-R650 VanDerWaalsContact OE2-NE 3.15Å; E608-R650 IonicContact OE2-NH2 3.26Å; E608-R650 PolarHBondContact OE2-NH2 3.26Å; E608-I655 HydrophobicContact CG-CG1 4.19Å; E608-F665 HydrophobicContact CB-CE2 4.28Å; E608-F665 HydrophobicContact CB-CZ 4.49Å; E608-F665 HydrophobicContact CG-CE2 3.81Å; E608-F665 HydrophobicContact CG-CZ 4.49Å
609R95.1Very high96Very high12 Ų1237.2 Ų37.25%0.04518%0.184CC..Hα-helixtrans-64.2-41.8175.1-177.9171.5174.471.72.1111.4L532 H536 V537 R538 S605 A606 R612 L613 F665L532-R609 VanDerWaalsContact CD1-CD 3.49Å; H536-R609 VanDerWaalsContact C-CZ 3.41Å; H536-R609 PolarHBondContact O-NH1 2.84Å; V537-R609 PolarHBondContact O-NH1 3.26Å; R538-R609 PolarHBondContact O-NH1 3.28Å; R538-R609 PolarHBondContact O-NH2 3.27Å; S605-R609 WeakPolarHBondContact O-CB 3.36Å; S605-R609 PolarHBondContact O-N 2.63Å; A606-R609 PolarHBondContact O-N 3.4Å; A606-R609 VanDerWaalsContact O-N 3.16Å; R609-R612 PolarHBondContact O-N 3.18Å; R609-L613 HydrophobicContact CG-CD1 4.01Å; R609-L613 HydrophobicContact CG-CG 4.45Å; R609-L613 WeakPolarHBondContact O-CG 3.46Å; R609-L613 PolarHBondContact O-N 2.82Å; R609-F665 HydrophobicContact CB-CE1 3.93Å; R609-F665 HydrophobicContact CB-CE2 4.48Å; R609-F665 HydrophobicContact CB-CZ 3.67Å; R609-F665 HydrophobicContact CG-CE1 4.48Å
610Q96.4Very high95.8Very high59 Ų5936.1 Ų36.128%0.27618%0.181SC..Hα-helixtrans-59.8-47.5176.9-179.4172.9-2600110.8L550 A606 D607 E608 R612 L613 E614L550-Q610 HydrophobicContact CD1-CG 4.16Å; A606-Q610 WeakPolarHBondContact O-CB 3.5Å; A606-Q610 PolarHBondContact O-N 2.86Å; D607-Q610 PolarHBondContact O-N 2.92Å; E608-Q610 VanDerWaalsContact C-N 3.35Å; Q610-R612 VanDerWaalsContact C-N 3.33Å; Q610-R612 PolarHBondContact O-N 3.11Å; Q610-L613 PolarHBondContact O-N 3.45Å; Q610-E614 HydrophobicContact CG-CG 4.41Å; Q610-E614 WeakPolarHBondContact CG-OE1 3.37Å; Q610-E614 PolarHBondContact NE2-OE1 3Å; Q610-E614 WeakPolarHBondContact O-CB 3.31Å; Q610-E614 WeakPolarHBondContact O-CG 3.31Å; Q610-E614 PolarHBondContact O-N 2.96Å
611Q94.9Very high95.6Very high88 Ų8832.4 Ų32.441%0.41117%0.168SC..Hα-helixtrans-58.7-43.5175.7-73.1175.310.400112D607 E608 E614 L615D607-Q611 WeakPolarHBondContact O-CG 3.44Å; D607-Q611 PolarHBondContact O-N 3.02Å; E608-Q611 PolarHBondContact O-N 3.4Å; Q611-E614 PolarHBondContact O-N 3.37Å; Q611-L615 WeakPolarHBondContact O-CB 3.32Å; Q611-L615 WeakPolarHBondContact O-CG 3.32Å; Q611-L615 PolarHBondContact O-N 3.47Å
612R94.6Very high95.4Very high9 Ų931.9 Ų31.93%0.03417%0.168CC..Hα-helixtrans-62.4-42176.3-71.1173.6-170.6-146.52112.3L539 E608 R609 Q610 A616 R650 L651 L653L539-R612 HydrophobicContact CD1-CB 4.05Å; L539-R612 HydrophobicContact CD2-CB 3.95Å; E608-R612 WeakPolarHBondContact O-CG 3.41Å; E608-R612 PolarHBondContact O-N 3.44Å; E608-R612 IonicContact OE1-CZ 3.29Å; E608-R612 IonicContact OE1-NE 3.69Å; E608-R612 PolarHBondContact OE1-NE 3.24Å; E608-R612 IonicContact OE1-NH2 3.98Å; E608-R612 PolarHBondContact OE1-NH2 2.91Å; E608-R612 VanDerWaalsContact OE1-NH2 3.08Å; R609-R612 PolarHBondContact O-N 3.18Å; Q610-R612 VanDerWaalsContact C-N 3.33Å; Q610-R612 PolarHBondContact O-N 3.11Å; R612-A616 VanDerWaalsContact O-CB 3.32Å; R612-A616 WeakPolarHBondContact O-CB 3.41Å; R612-A616 PolarHBondContact O-N 3.25Å; R612-R650 HydrophobicContact CG-CG 4.26Å; R612-R650 PolarHBondContact NH2-O 3.34Å; R612-L651 PolarHBondContact NH1-O 3.09Å; R612-L653 PolarHBondContact NH2-O 3.24Å
613L95.9Very high95.1Very high0 Ų031.9 Ų31.90%017%0.168CC..Hα-helixtrans-66.4-39175.9-74.8167000112.2L539 T546 M549 L550 H553 R609 Q610 A616 L617L539-L613 HydrophobicContact CB-CD2 4.21Å; L539-L613 HydrophobicContact CD2-CD2 3.72Å; L539-L613 HydrophobicContact CD2-CG 3.87Å; L539-L613 WeakPolarHBondContact O-CD2 3.48Å; T546-L613 HydrophobicContact CG2-CD2 4.34Å; T546-L613 VanDerWaalsContact CG2-O 3.31Å; T546-L613 WeakPolarHBondContact CG2-O 3.47Å; M549-L613 HydrophobicContact CB-CD2 3.88Å; L550-L613 HydrophobicContact CD1-CB 3.81Å; L550-L613 HydrophobicContact CD1-CD1 4.25Å; H553-L613 HydrophobicContact CB-CD1 3.94Å; R609-L613 HydrophobicContact CG-CD1 4.01Å; R609-L613 HydrophobicContact CG-CG 4.45Å; R609-L613 WeakPolarHBondContact O-CG 3.46Å; R609-L613 PolarHBondContact O-N 2.82Å; Q610-L613 PolarHBondContact O-N 3.45Å; L613-A616 PolarHBondContact O-N 2.65Å; L613-L617 WeakPolarHBondContact O-CB 3.34Å; L613-L617 PolarHBondContact O-N 3.1Å
614E96.3Very high94.8Very high74 Ų7431.4 Ų31.435%0.34616%0.163SC..Hα-helixtrans-68-42.8176.9-73.4172.1-177.900111.8L550 Q610 Q611 L617 N618L550-E614 HydrophobicContact CD1-CG 4.23Å; Q610-E614 HydrophobicContact CG-CG 4.41Å; Q610-E614 WeakPolarHBondContact CG-OE1 3.37Å; Q610-E614 PolarHBondContact NE2-OE1 3Å; Q610-E614 WeakPolarHBondContact O-CB 3.31Å; Q610-E614 WeakPolarHBondContact O-CG 3.31Å; Q610-E614 PolarHBondContact O-N 2.96Å; Q611-E614 PolarHBondContact O-N 3.37Å; E614-L617 PolarHBondContact O-N 3Å; E614-N618 WeakPolarHBondContact O-CB 3.34Å; E614-N618 VanDerWaalsContact O-CG 3.24Å; E614-N618 PolarHBondContact O-N 3.3Å; E614-N618 PolarHBondContact O-ND2 3.29Å
615L95.3Very high94.4Very high45 Ų4534.3 Ų34.324%0.23617%0.168CC..Hα-helixtrans-61.9-43.3172.9-73.1173.8000111.6Q611 N618 F619 T646 L647 R650Q611-L615 WeakPolarHBondContact O-CB 3.32Å; Q611-L615 WeakPolarHBondContact O-CG 3.32Å; Q611-L615 PolarHBondContact O-N 3.47Å; L615-N618 PolarHBondContact O-N 3.34Å; L615-F619 WeakPolarHBondContact O-CB 3.35Å; L615-F619 PolarHBondContact O-N 3.34Å; L615-T646 HydrophobicContact CD2-CG2 4.3Å; L615-L647 HydrophobicContact CB-CD1 3.83Å; L615-R650 HydrophobicContact CD1-CB 4.19Å; L615-R650 HydrophobicContact CD1-CG 4.2Å
616A95.1Very high94Very high1 Ų134.4 Ų34.41%0.00817%0.169CC..Hα-helixtrans-61.3-44.7173.900000111.6L539 T546 R612 L613 N618 F619 H620 L647L539-A616 HydrophobicContact CB-CB 4.05Å; L539-A616 HydrophobicContact CD1-CB 4.15Å; T546-A616 HydrophobicContact CG2-CB 3.98Å; R612-A616 VanDerWaalsContact O-CB 3.32Å; R612-A616 WeakPolarHBondContact O-CB 3.41Å; R612-A616 PolarHBondContact O-N 3.25Å; L613-A616 PolarHBondContact O-N 2.65Å; A616-N618 PolarHBondContact O-N 2.91Å; A616-F619 PolarHBondContact O-N 2.85Å; A616-H620 PolarHBondContact O-CD2 2.91Å; A616-H620 PolarHBondContact O-N 3.46Å; A616-L647 HydrophobicContact CB-CD1 4.32Å; A616-L647 HydrophobicContact CB-CD2 4.06Å
617L96.4Very high93.5Very high23 Ų2336.7 Ų36.712%0.1218%0.18CC..Hα-helixtrans-61.9-44.9179.4-178.660.7000111.3S543 T546 R547 L550 L613 E614 T621S543-L617 WeakPolarHBondContact O-CD1 3.32Å; T546-L617 HydrophobicContact CG2-CB 3.8Å; T546-L617 HydrophobicContact CG2-CD1 4.44Å; R547-L617 HydrophobicContact CB-CD1 4.24Å; L550-L617 HydrophobicContact CD2-CD2 4.44Å; L613-L617 WeakPolarHBondContact O-CB 3.34Å; L613-L617 PolarHBondContact O-N 3.1Å; E614-L617 PolarHBondContact O-N 3Å; L617-T621 WeakPolarHBondContact O-CB 3.36Å; L617-T621 PolarHBondContact O-N 3.46Å; L617-T621 PolarHBondContact O-OG1 2.91Å
618N94.7Very high92.9Very high98 Ų9840.3 Ų40.352%0.52420%0.195SC..Hα-helixtrans-62.1-45.5177.1-70.4-21.3000111.1E614 L615 A616 A622E614-N618 WeakPolarHBondContact O-CB 3.34Å; E614-N618 VanDerWaalsContact O-CG 3.24Å; E614-N618 PolarHBondContact O-N 3.3Å; E614-N618 PolarHBondContact O-ND2 3.29Å; L615-N618 PolarHBondContact O-N 3.34Å; A616-N618 PolarHBondContact O-N 2.91Å; N618-A622 VanDerWaalsContact O-CB 3.26Å; N618-A622 WeakPolarHBondContact O-CB 3.42Å; N618-A622 PolarHBondContact O-N 2.94Å
619F95.5Very high92.3Very high0 Ų043.6 Ų43.60%021%0.21CC..Hα-helixtrans-60.1-53.6176.4171.2-108.8000112L615 A616 T621 A622 A623 V640 L647 V678 R681 L682L615-F619 WeakPolarHBondContact O-CB 3.35Å; L615-F619 PolarHBondContact O-N 3.34Å; A616-F619 PolarHBondContact O-N 2.85Å; F619-T621 PolarHBondContact O-N 2.94Å; F619-A622 PolarHBondContact O-N 3.23Å; F619-A623 VanDerWaalsContact O-CB 3.25Å; F619-A623 WeakPolarHBondContact O-CB 3.3Å; F619-A623 PolarHBondContact O-N 2.94Å; F619-V640 HydrophobicContact CD2-CG1 4.11Å; F619-V640 HydrophobicContact CE2-CG1 3.78Å; F619-L647 HydrophobicContact CB-CD2 4.25Å; F619-L647 HydrophobicContact CD1-CD2 4.19Å; F619-L647 HydrophobicContact CG-CD2 4.38Å; F619-V678 HydrophobicContact CD1-CG1 4.46Å; F619-V678 HydrophobicContact CE1-CG1 3.96Å; F619-V678 HydrophobicContact CZ-CG1 4.11Å; F619-R681 HydrophobicContact CE1-CB 3.93Å; F619-R681 HydrophobicContact CE1-CG 3.84Å; F619-R681 HydrophobicContact CZ-CB 3.89Å; F619-R681 HydrophobicContact CZ-CG 3.83Å; F619-L682 HydrophobicContact CE2-CD2 3.67Å; F619-L682 HydrophobicContact CE2-CG 3.99Å; F619-L682 HydrophobicContact CZ-CD2 4.13Å; F619-L682 HydrophobicContact CZ-CG 3.96Å
620H94.7Very high90.9Very high9 Ų949.2 Ų49.24%0.04225%0.245CC..Hα-helixtrans-62.8-42.1-179.4-72.1-67.6000111.9G540 D541 A616 A622 A623 E624G540-H620 PolarHBondContact O-NE2 2.79Å; D541-H620 PolarHBondContact O-CE1 2.87Å; D541-H620 PolarHBondContact O-ND1 3.23Å; A616-H620 PolarHBondContact O-CD2 2.91Å; A616-H620 PolarHBondContact O-N 3.46Å; H620-A622 PolarHBondContact O-N 3.42Å; H620-A623 PolarHBondContact O-N 3.47Å; H620-E624 VanDerWaalsContact O-CB 3.28Å; H620-E624 WeakPolarHBondContact O-CB 3.31Å; H620-E624 WeakPolarHBondContact O-CG 3.33Å; H620-E624 PolarHBondContact O-N 3.46Å
621T93.1Very high89.6Confident43 Ų4357.2 Ų57.226%0.26427%0.273SS..Hα-helixtrans-63-42.8177.8-55.50000111.5L617 F619 R625L617-T621 WeakPolarHBondContact O-CB 3.36Å; L617-T621 PolarHBondContact O-N 3.46Å; L617-T621 PolarHBondContact O-OG1 2.91Å; F619-T621 PolarHBondContact O-N 2.94Å; T621-R625 WeakPolarHBondContact O-CB 3.35Å; T621-R625 PolarHBondContact O-N 3.23Å; T621-R625 VanDerWaalsContact O-N 3.11Å
622A91.2Very high88.7Confident13 Ų1353.5 Ų53.511%0.10726%0.256CS..Hα-helixtrans-70-43.2178.300000111.7N618 F619 H620 R625 V626 V640N618-A622 VanDerWaalsContact O-CB 3.26Å; N618-A622 WeakPolarHBondContact O-CB 3.42Å; N618-A622 PolarHBondContact O-N 2.94Å; F619-A622 PolarHBondContact O-N 3.23Å; H620-A622 PolarHBondContact O-N 3.42Å; A622-R625 WeakPolarHBondContact O-CB 3.31Å; A622-R625 PolarHBondContact O-N 2.95Å; A622-V626 WeakPolarHBondContact O-CG2 3.45Å; A622-V626 PolarHBondContact O-N 3.34Å; A622-V626 VanDerWaalsContact O-N 3.09Å; A622-V640 HydrophobicContact CB-CG2 3.68Å
623A90.9Very high87.8Confident0 Ų059.8 Ų59.80%029%0.286CS..Hα-helixtrans-61.9-45.4176.400000112F619 H620 R625 V626 L627 V640 R681 I685F619-A623 VanDerWaalsContact O-CB 3.25Å; F619-A623 WeakPolarHBondContact O-CB 3.3Å; F619-A623 PolarHBondContact O-N 2.94Å; H620-A623 PolarHBondContact O-N 3.47Å; A623-R625 PolarHBondContact O-N 3.15Å; A623-V626 PolarHBondContact O-N 2.96Å; A623-L627 WeakPolarHBondContact O-CB 3.37Å; A623-L627 WeakPolarHBondContact O-CG 3.26Å; A623-L627 PolarHBondContact O-N 2.95Å; A623-V640 HydrophobicContact CB-CG1 3.93Å; A623-R681 HydrophobicContact CB-CG 4.29Å; A623-I685 HydrophobicContact CB-CD1 3.98Å; A623-I685 HydrophobicContact CB-CG1 4.38Å
624E91.1Very high86.8Confident32 Ų3262.6 Ų62.615%0.1530%0.303CS..Hα-helixtrans-61.2-43.5175.8-76.2165.6-158.500112.2D542 S543 H620 V626 L627 Q628 R681D542-E624 WeakPolarHBondContact CB-OE1 3.29Å; S543-E624 WeakPolarHBondContact CB-OE1 3.43Å; S543-E624 VanDerWaalsContact CB-OE2 3.26Å; S543-E624 WeakPolarHBondContact CB-OE2 3.39Å; S543-E624 PolarHBondContact N-OE1 2.95Å; S543-E624 PolarHBondContact OG-OE1 3.28Å; S543-E624 PolarHBondContact OG-OE2 2.9Å; H620-E624 VanDerWaalsContact O-CB 3.28Å; H620-E624 WeakPolarHBondContact O-CB 3.31Å; H620-E624 WeakPolarHBondContact O-CG 3.33Å; H620-E624 PolarHBondContact O-N 3.46Å; E624-V626 VanDerWaalsContact C-N 3.34Å; E624-V626 PolarHBondContact O-N 2.9Å; E624-L627 PolarHBondContact O-N 3.26Å; E624-Q628 WeakPolarHBondContact O-CB 3.2Å; E624-Q628 VanDerWaalsContact O-CG 3.26Å; E624-Q628 WeakPolarHBondContact O-CG 3.22Å; E624-Q628 PolarHBondContact O-N 3.5Å; E624-R681 VanDerWaalsContact CG-NH2 3.33Å
625R88.4Confident86Confident114 Ų11465.8 Ų65.843%0.4332%0.318SS..Hα-helixtrans-57.4-47.9177.5-170.6-168.5-50.6120.43.5111.3T621 A622 A623 Q628 Q629T621-R625 WeakPolarHBondContact O-CB 3.35Å; T621-R625 PolarHBondContact O-N 3.23Å; T621-R625 VanDerWaalsContact O-N 3.11Å; A622-R625 WeakPolarHBondContact O-CB 3.31Å; A622-R625 PolarHBondContact O-N 2.95Å; A623-R625 PolarHBondContact O-N 3.15Å; R625-Q628 PolarHBondContact O-N 3.14Å; R625-Q629 WeakPolarHBondContact O-CB 3.33Å; R625-Q629 WeakPolarHBondContact O-CG 3.49Å; R625-Q629 PolarHBondContact O-N 3.39Å; R625-Q629 VanDerWaalsContact O-N 3.09Å
626V87.7Confident85.4Confident2 Ų264.9 Ų64.91%0.01232%0.315CS..Hα-helixtrans-71.1-36.5-178.5169.40000112.2A622 A623 E624 V632 L637 V640 I685A622-V626 WeakPolarHBondContact O-CG2 3.45Å; A622-V626 PolarHBondContact O-N 3.34Å; A622-V626 VanDerWaalsContact O-N 3.09Å; A623-V626 PolarHBondContact O-N 2.96Å; E624-V626 VanDerWaalsContact C-N 3.34Å; E624-V626 PolarHBondContact O-N 2.9Å; V626-V632 HydrophobicContact CB-CG1 4.32Å; V626-V632 HydrophobicContact CG1-CG1 3.63Å; V626-V632 HydrophobicContact CG1-CG2 4.28Å; V626-V632 HydrophobicContact CG2-CG1 4.11Å; V626-V632 WeakPolarHBondContact O-CG2 3.27Å; V626-L637 HydrophobicContact CG1-CD2 3.25Å; V626-L637 HydrophobicContact CG1-CG 3.94Å; V626-V640 HydrophobicContact CG2-CG2 4.07Å; V626-I685 HydrophobicContact CB-CD1 4.49Å; V626-I685 HydrophobicContact CG1-CD1 4.32Å
627L85.9Confident84.9Confident51 Ų5165 Ų6527%0.26732%0.315SS..Hα-helixtrans-71.4-28.6177.2-70.3169.5000113A623 E624 L684 I685 R688A623-L627 WeakPolarHBondContact O-CB 3.37Å; A623-L627 WeakPolarHBondContact O-CG 3.26Å; A623-L627 PolarHBondContact O-N 2.95Å; E624-L627 PolarHBondContact O-N 3.26Å; L627-L684 HydrophobicContact CD2-CB 4.48Å; L627-I685 HydrophobicContact CD1-CD1 4.07Å; L627-I685 HydrophobicContact CD2-CD1 3.98Å; L627-I685 HydrophobicContact CG-CD1 3.71Å; L627-R688 HydrophobicContact CD2-CB 4.02Å; L627-R688 HydrophobicContact CD2-CG 4.31Å
628Q84.1Confident84.4Confident156 Ų15667.7 Ų67.773%0.72933%0.33SS*.Hα-helixtrans-90.4-24.5-179.3-69173.87.200113.8E624 R625E624-Q628 WeakPolarHBondContact O-CB 3.2Å; E624-Q628 VanDerWaalsContact O-CG 3.26Å; E624-Q628 WeakPolarHBondContact O-CG 3.22Å; E624-Q628 PolarHBondContact O-N 3.5Å; R625-Q628 PolarHBondContact O-N 3.14Å
629Q80.8Confident84Confident86 Ų8669.1 Ų69.140%0.40233%0.334SS..  trans-76.2137.7-177.8-81.1176.6-11.700113R625 V632 R688R625-Q629 WeakPolarHBondContact O-CB 3.33Å; R625-Q629 WeakPolarHBondContact O-CG 3.49Å; R625-Q629 PolarHBondContact O-N 3.39Å; R625-Q629 VanDerWaalsContact O-N 3.09Å; Q629-V632 HydrophobicContact CB-CG2 3.71Å; Q629-R688 PolarHBondContact O-NH2 2.95Å
630V67Low83.8Confident130 Ų13069.1 Ų69.179%0.78833%0.334SS*.SBendtrans-73.6-37.6-180-1790000112
631R68.3Low83.5Confident228 Ų22869.5 Ų69.586%0.8634%0.336SS*.SBendtrans-119126.5173.1-69.9-174.3178.8-170.5-1.1109.1
632V76.1Confident83.4Confident9 Ų970.8 Ų70.86%0.05535%0.347CS..  trans-132.6132.3-176.5178.50000108.6V626 Q629 S636 L637 L692 R696V626-V632 HydrophobicContact CB-CG1 4.32Å; V626-V632 HydrophobicContact CG1-CG1 3.63Å; V626-V632 HydrophobicContact CG1-CG2 4.28Å; V626-V632 HydrophobicContact CG2-CG1 4.11Å; V626-V632 WeakPolarHBondContact O-CG2 3.27Å; Q629-V632 HydrophobicContact CB-CG2 3.71Å; V632-S636 WeakPolarHBondContact CG1-OG 3.47Å; V632-L637 HydrophobicContact CG1-CD1 4.37Å; V632-L637 HydrophobicContact CG1-CG 4.04Å; V632-L692 HydrophobicContact CB-CD1 3.84Å; V632-L692 HydrophobicContact CG1-CD1 4.44Å; V632-L692 HydrophobicContact CG2-CD1 4.43Å; V632-R696 PolarHBondContact O-NH2 3.06Å
633E75.4Confident83.5Confident142 Ų14271.3 Ų71.366%0.66435%0.35SS*.  trans-78.4143.9174.5-66.6176.8176.100110.2E635 S636E633-E635 PolarHBondContact O-N 3.45Å; E633-S636 PolarHBondContact O-N 3.44Å; E633-S636 VanDerWaalsContact O-N 3.08Å; E633-S636 PolarHBondContact O-OG 2.67Å
634V75.3Confident83.5Confident59 Ų5971.3 Ų71.336%0.35835%0.35SS..Hα-helixtrans-60.5-35.3-177.4-176.20000111.3S636 L637 D638V634-S636 VanDerWaalsContact C-N 3.25Å; V634-S636 PolarHBondContact O-N 3.01Å; V634-L637 WeakPolarHBondContact O-CB 3.43Å; V634-L637 PolarHBondContact O-N 3.44Å; V634-D638 PolarHBondContact O-N 2.7Å; V634-D638 VanDerWaalsContact O-N 3.07Å
635E79.6Confident83.5Confident140 Ų14077.5 Ų77.565%0.65437%0.372SS*.Hα-helixtrans-58.3-37.1177.5-60.9-177174.100112E633 L637 D638 E639E633-E635 PolarHBondContact O-N 3.45Å; E635-L637 PolarHBondContact O-N 2.91Å; E635-D638 PolarHBondContact O-N 3.1Å; E635-E639 WeakPolarHBondContact O-CG 3.48Å; E635-E639 PolarHBondContact O-N 3.41Å
636S82.9Confident83.7Confident26 Ų2675.3 Ų75.318%0.18237%0.371CS..Hα-helixtrans-71.8-26.7177.670.20000113.9V632 E633 V634 V640V632-S636 WeakPolarHBondContact CG1-OG 3.47Å; E633-S636 PolarHBondContact O-N 3.44Å; E633-S636 VanDerWaalsContact O-N 3.08Å; E633-S636 PolarHBondContact O-OG 2.67Å; V634-S636 VanDerWaalsContact C-N 3.25Å; V634-S636 PolarHBondContact O-N 3.01Å; S636-V640 WeakPolarHBondContact O-CG2 3.31Å; S636-V640 PolarHBondContact O-N 3.39Å
637L83.8Confident84Confident3 Ų375.2 Ų75.22%0.01637%0.371CS..Hα-helixtrans-72.1-40.8170.4-71.8160.1000110.6V626 V632 V634 E635 E639 V640 D641 I685 R689 L692V626-L637 HydrophobicContact CG1-CD2 3.25Å; V626-L637 HydrophobicContact CG1-CG 3.94Å; V632-L637 HydrophobicContact CG1-CD1 4.37Å; V632-L637 HydrophobicContact CG1-CG 4.04Å; V634-L637 WeakPolarHBondContact O-CB 3.43Å; V634-L637 PolarHBondContact O-N 3.44Å; E635-L637 PolarHBondContact O-N 2.91Å; L637-E639 VanDerWaalsContact C-N 3.31Å; L637-E639 PolarHBondContact O-N 2.75Å; L637-V640 PolarHBondContact O-N 2.89Å; L637-D641 PolarHBondContact O-N 3.35Å; L637-I685 HydrophobicContact CD2-CG2 3.62Å; L637-R689 HydrophobicContact CD1-CB 4.04Å; L637-R689 HydrophobicContact CD1-CG 4.27Å; L637-L692 HydrophobicContact CD1-CD1 4.13Å
638D86.1Confident84.3Confident81 Ų8173.9 Ų73.943%0.43336%0.364SS..Hα-helixtrans-66.1-33.9177.8-65.2-16.2000112V634 E635 D641 S642 R689V634-D638 PolarHBondContact O-N 2.7Å; V634-D638 VanDerWaalsContact O-N 3.07Å; E635-D638 PolarHBondContact O-N 3.1Å; D638-D641 PolarHBondContact O-N 3.12Å; D638-S642 VanDerWaalsContact O-CB 3.31Å; D638-S642 WeakPolarHBondContact O-CB 3.4Å; D638-S642 PolarHBondContact O-N 3.43Å; D638-R689 IonicContact OD1-CZ 3.97Å; D638-R689 IonicContact OD1-NH2 2.69Å; D638-R689 PolarHBondContact OD1-NH2 3.03Å
639E87.2Confident84.7Confident127 Ų12771.8 Ų71.859%0.59336%0.357SS*.Hα-helixtrans-63.1-41.7171.1-75.9179.7179.400112.5E635 L637 S642 S643E635-E639 WeakPolarHBondContact O-CG 3.48Å; E635-E639 PolarHBondContact O-N 3.41Å; L637-E639 VanDerWaalsContact C-N 3.31Å; L637-E639 PolarHBondContact O-N 2.75Å; E639-S642 PolarHBondContact O-N 2.91Å; E639-S643 WeakPolarHBondContact O-CB 3.39Å; E639-S643 PolarHBondContact O-N 3.03Å
640V91Very high85.2Confident1 Ų171.8 Ų71.81%0.00635%0.354CS..Hα-helixtrans-65.5-42.8176.1176.90000110.8F619 A622 A623 V626 S636 L637 S643 G644 I685F619-V640 HydrophobicContact CD2-CG1 4.11Å; F619-V640 HydrophobicContact CE2-CG1 3.78Å; A622-V640 HydrophobicContact CB-CG2 3.68Å; A623-V640 HydrophobicContact CB-CG1 3.93Å; V626-V640 HydrophobicContact CG2-CG2 4.07Å; S636-V640 WeakPolarHBondContact O-CG2 3.31Å; S636-V640 PolarHBondContact O-N 3.39Å; L637-V640 PolarHBondContact O-N 2.89Å; V640-S643 PolarHBondContact O-N 3.48Å; V640-G644 PolarHBondContact O-N 2.83Å; V640-I685 HydrophobicContact CB-CG2 4.49Å; V640-I685 HydrophobicContact CG1-CD1 4.06Å; V640-I685 HydrophobicContact CG1-CG1 3.87Å; V640-I685 HydrophobicContact CG1-CG2 4.27Å
641D88.6Confident86.3Confident16 Ų1666 Ų669%0.08632%0.318CS..Hα-helixtrans-61.2-45175.3-81.9-16.9000112L637 D638 G644 R645 L682 R689L637-D641 PolarHBondContact O-N 3.35Å; D638-D641 PolarHBondContact O-N 3.12Å; D641-G644 PolarHBondContact O-N 2.85Å; D641-R645 WeakPolarHBondContact O-CB 3.26Å; D641-R645 VanDerWaalsContact O-CG 3.27Å; D641-R645 WeakPolarHBondContact O-CG 3.21Å; D641-R645 PolarHBondContact O-N 3.29Å; D641-L682 WeakPolarHBondContact OD1-CD2 3.5Å; D641-R689 IonicContact OD2-CZ 2.71Å; D641-R689 VanDerWaalsContact OD2-CZ 3.24Å; D641-R689 IonicContact OD2-NH1 3.62Å; D641-R689 PolarHBondContact OD2-NH1 3.48Å; D641-R689 IonicContact OD2-NH2 3.62Å; D641-R689 PolarHBondContact OD2-NH2 2.99Å
642S90.8Very high87.1Confident71 Ų7159.2 Ų59.250%0.49730%0.302SS..Hα-helixtrans-61.4-45.9176.3-177.90000111.6D638 E639 R645 T646D638-S642 VanDerWaalsContact O-CB 3.31Å; D638-S642 WeakPolarHBondContact O-CB 3.4Å; D638-S642 PolarHBondContact O-N 3.43Å; E639-S642 PolarHBondContact O-N 2.91Å; S642-R645 PolarHBondContact O-N 2.83Å; S642-T646 WeakPolarHBondContact O-CB 3.28Å; S642-T646 PolarHBondContact O-N 3.4Å; S642-T646 PolarHBondContact O-OG1 3.28Å
643S92.9Very high87.7Confident24 Ų2462.5 Ų62.517%0.16832%0.319CS..Hα-helixtrans-63.7-41.7177-172.20000112E639 V640 T646 L647E639-S643 WeakPolarHBondContact O-CB 3.39Å; E639-S643 PolarHBondContact O-N 3.03Å; V640-S643 PolarHBondContact O-N 3.48Å; S643-T646 PolarHBondContact O-N 3.39Å; S643-L647 WeakPolarHBondContact O-CB 3.38Å; S643-L647 PolarHBondContact O-N 3.04Å
644G91.4Very high88.5Confident0 Ų057.3 Ų57.30%030%0.298CS..Hα-helixtrans-67.6-42.5178.300000112.6V640 D641 L647 L648V640-G644 PolarHBondContact O-N 2.83Å; D641-G644 PolarHBondContact O-N 2.85Å; G644-L647 PolarHBondContact O-N 3.46Å; G644-L648 VanDerWaalsContact O-CG 3.31Å; G644-L648 WeakPolarHBondContact O-CG 3.44Å; G644-L648 PolarHBondContact O-N 3.11Å
645R91.1Very high89.3Confident162 Ų16254.7 Ų54.761%0.61128%0.282SS*.Hα-helixtrans-61.7-44.2173.7-72.6174.5-171.4172.76.9111.8D641 S642 L647 L648 D649D641-R645 WeakPolarHBondContact O-CB 3.26Å; D641-R645 VanDerWaalsContact O-CG 3.27Å; D641-R645 WeakPolarHBondContact O-CG 3.21Å; D641-R645 PolarHBondContact O-N 3.29Å; S642-R645 PolarHBondContact O-N 2.83Å; R645-L647 VanDerWaalsContact C-N 3.33Å; R645-L647 PolarHBondContact O-N 2.91Å; R645-L648 PolarHBondContact O-N 3.29Å; R645-D649 PolarHBondContact O-N 3.38Å
646T92.6Very high89.9Confident68 Ų6852.3 Ų52.342%0.41727%0.273SS..Hα-helixtrans-60.5-42.1177.1-57.50000111.8L615 S642 S643 R650L615-T646 HydrophobicContact CD2-CG2 4.3Å; S642-T646 WeakPolarHBondContact O-CB 3.28Å; S642-T646 PolarHBondContact O-N 3.4Å; S642-T646 PolarHBondContact O-OG1 3.28Å; S643-T646 PolarHBondContact O-N 3.39Å; T646-R650 WeakPolarHBondContact O-CB 3.45Å; T646-R650 PolarHBondContact O-N 2.87Å; T646-R650 VanDerWaalsContact O-N 3.11Å
647L93.8Very high90.4Very high0 Ų051.6 Ų51.60%027%0.266CS..Hα-helixtrans-64.1-45.6175.2177.461000111.9L539 L615 A616 F619 S643 G644 R645 R650 L651 V678L539-L647 HydrophobicContact CD1-CD1 4.16Å; L615-L647 HydrophobicContact CB-CD1 3.83Å; A616-L647 HydrophobicContact CB-CD1 4.32Å; A616-L647 HydrophobicContact CB-CD2 4.06Å; F619-L647 HydrophobicContact CB-CD2 4.25Å; F619-L647 HydrophobicContact CD1-CD2 4.19Å; F619-L647 HydrophobicContact CG-CD2 4.38Å; S643-L647 WeakPolarHBondContact O-CB 3.38Å; S643-L647 PolarHBondContact O-N 3.04Å; G644-L647 PolarHBondContact O-N 3.46Å; R645-L647 VanDerWaalsContact C-N 3.33Å; R645-L647 PolarHBondContact O-N 2.91Å; L647-R650 PolarHBondContact O-N 3.06Å; L647-L651 HydrophobicContact CD1-CD1 4.44Å; L647-L651 HydrophobicContact CD1-CG 4.29Å; L647-L651 HydrophobicContact CG-CD1 4.24Å; L647-L651 VanDerWaalsContact O-CG 3.31Å; L647-L651 WeakPolarHBondContact O-CG 3.45Å; L647-L651 PolarHBondContact O-N 3.47Å; L647-V678 HydrophobicContact CD2-CG1 4.24Å; L647-V678 HydrophobicContact CD2-CG2 3.74Å; L647-V678 HydrophobicContact CG-CG2 4.41Å
648L92.4Very high90.4Very high23 Ų2355.6 Ų55.612%0.1229%0.293CS..Hα-helixtrans-60-45.3177.5-74.6177.6000112.3G644 R645 R650 L651 V675 V678 R679 L682G644-L648 VanDerWaalsContact O-CG 3.31Å; G644-L648 WeakPolarHBondContact O-CG 3.44Å; G644-L648 PolarHBondContact O-N 3.11Å; R645-L648 PolarHBondContact O-N 3.29Å; L648-R650 VanDerWaalsContact C-N 3.32Å; L648-R650 PolarHBondContact O-N 3.29Å; L648-L651 PolarHBondContact O-N 3.38Å; L648-V675 HydrophobicContact CD2-CB 4.14Å; L648-V675 HydrophobicContact CD2-CG1 3.82Å; L648-V675 HydrophobicContact CD2-CG2 4.12Å; L648-V678 HydrophobicContact CD1-CG1 4.33Å; L648-V678 HydrophobicContact CD2-CB 3.81Å; L648-V678 HydrophobicContact CD2-CG1 3.81Å; L648-V678 HydrophobicContact CG-CB 4.36Å; L648-V678 HydrophobicContact CG-CG1 3.78Å; L648-R679 HydrophobicContact CD1-CG 4.09Å; L648-R679 HydrophobicContact CD2-CG 4.43Å; L648-L682 HydrophobicContact CD1-CD1 4.05Å
649D91.8Very high90.5Very high111 Ų11155.3 Ų55.359%0.59429%0.291SS*.Hα-helixtrans-59.5-46.7177-73-16.1000110R645 L651 T652R645-D649 PolarHBondContact O-N 3.38Å; D649-L651 PolarHBondContact O-N 2.83Å; D649-T652 PolarHBondContact O-N 3.39Å; D649-T652 PolarHBondContact O-OG1 3.42Å
650R91.2Very high90.5Very high86 Ų8651.8 Ų51.833%0.32529%0.288SS..Hα-helixtrans-67.1-35.1-178-165.557170.7-168.1-1.7113.5E608 R612 L615 T646 L647 L648 T652 L653E608-R650 WeakPolarHBondContact OE1-CD 3.44Å; E608-R650 IonicContact OE1-CZ 3.75Å; E608-R650 IonicContact OE1-NE 2.9Å; E608-R650 PolarHBondContact OE1-NE 2.96Å; E608-R650 IonicContact OE1-NH2 3.73Å; E608-R650 IonicContact OE2-CZ 2.69Å; E608-R650 VanDerWaalsContact OE2-CZ 3.22Å; E608-R650 IonicContact OE2-NE 3.81Å; E608-R650 PolarHBondContact OE2-NE 3.47Å; E608-R650 VanDerWaalsContact OE2-NE 3.15Å; E608-R650 IonicContact OE2-NH2 3.26Å; E608-R650 PolarHBondContact OE2-NH2 3.26Å; R612-R650 HydrophobicContact CG-CG 4.26Å; R612-R650 PolarHBondContact NH2-O 3.34Å; L615-R650 HydrophobicContact CD1-CB 4.19Å; L615-R650 HydrophobicContact CD1-CG 4.2Å; T646-R650 WeakPolarHBondContact O-CB 3.45Å; T646-R650 PolarHBondContact O-N 2.87Å; T646-R650 VanDerWaalsContact O-N 3.11Å; L647-R650 PolarHBondContact O-N 3.06Å; L648-R650 VanDerWaalsContact C-N 3.32Å; L648-R650 PolarHBondContact O-N 3.29Å; R650-T652 PolarHBondContact O-N 3.13Å; R650-L653 PolarHBondContact O-N 3.46Å
651L90Very high90.6Very high9 Ų953.8 Ų53.85%0.04730%0.303CS..Hα-helixtrans-59.8-32.1178.5-81.2173.9000113.1L539 R612 L647 L648 D649 T674 V675 V678L539-L651 HydrophobicContact CD1-CD2 3.6Å; L539-L651 HydrophobicContact CD1-CG 4.47Å; R612-L651 PolarHBondContact NH1-O 3.09Å; L647-L651 HydrophobicContact CD1-CD1 4.44Å; L647-L651 HydrophobicContact CD1-CG 4.29Å; L647-L651 HydrophobicContact CG-CD1 4.24Å; L647-L651 VanDerWaalsContact O-CG 3.31Å; L647-L651 WeakPolarHBondContact O-CG 3.45Å; L647-L651 PolarHBondContact O-N 3.47Å; L648-L651 PolarHBondContact O-N 3.38Å; D649-L651 PolarHBondContact O-N 2.83Å; L651-T674 HydrophobicContact CD1-CG2 3.95Å; L651-T674 HydrophobicContact CD2-CG2 4.14Å; L651-V675 HydrophobicContact CB-CG2 4.15Å; L651-V675 HydrophobicContact CD1-CG2 4.05Å; L651-V678 HydrophobicContact CD1-CG2 4.45Å
652T84.6Confident90.7Very high86 Ų8658.6 Ų58.653%0.52832%0.324SS..Hα-helixtrans-86.8-10.5-177.264.80000114.3D649 R650D649-T652 PolarHBondContact O-N 3.39Å; D649-T652 PolarHBondContact O-OG1 3.42Å; R650-T652 PolarHBondContact O-N 3.13Å
653L89.6Confident90.8Very high77 Ų7758.8 Ų58.840%0.40332%0.318SS..SBendtrans-79.2140.1-179.1-67.2177.2000111.6R612 R650R612-L653 PolarHBondContact NH2-O 3.24Å; R650-L653 PolarHBondContact O-N 3.46Å
654P91Very high90.8Very high34 Ų3462.5 Ų62.522%0.22133%0.331CS..PPolyproline II helixtrans-70.5154.717127.9-32.5000111.8I656 E662 Q663 F664P654-I656 HydrophobicContact CB-CD1 4.25Å; P654-I656 HydrophobicContact CG-CD1 3.94Å; P654-E662 HydrophobicContact CB-CB 4.02Å; P654-E662 HydrophobicContact CB-CG 4.48Å; P654-Q663 CarbonylContact C-O 3.27Å; P654-Q663 WeakPolarHBondContact CA-O 3.44Å; P654-F664 HydrophobicContact CB-CD1 4.29Å; P654-F664 HydrophobicContact CB-CE1 3.72Å; P654-F664 HydrophobicContact CB-CE2 4.14Å; P654-F664 HydrophobicContact CB-CZ 3.64Å; P654-F664 HydrophobicContact CG-CE1 4.39Å; P654-F664 HydrophobicContact CG-CZ 4.28Å
655I93.1Very high90.8Very high4 Ų462.8 Ų62.82%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-79.9124.4162.3-45.7171.4000107.2L533 V604 E608 F657 E662 Q663 F665L533-I655 HydrophobicContact CD2-CD1 3.41Å; L533-I655 VanDerWaalsContact CD2-CD1 3.41Å; V604-I655 HydrophobicContact CG1-CG2 3.71Å; E608-I655 HydrophobicContact CG-CG1 4.19Å; I655-F657 HydrophobicContact CG2-CD1 4.12Å; I655-F657 HydrophobicContact CG2-CE1 4Å; I655-E662 WeakPolarHBondContact O-CA 3.45Å; I655-Q663 HydrophobicContact CB-CB 4.41Å; I655-Q663 PolarHBondContact N-O 3.09Å; I655-Q663 PolarHBondContact O-N 2.84Å; I655-F665 HydrophobicContact CD1-CD1 4.49Å; I655-F665 HydrophobicContact CD1-CD2 3.79Å; I655-F665 HydrophobicContact CD1-CE1 4.04Å; I655-F665 HydrophobicContact CD1-CE2 3.28Å; I655-F665 HydrophobicContact CD1-CG 4.37Å; I655-F665 HydrophobicContact CD1-CZ 3.41Å; I655-F665 VanDerWaalsContact CD1-CZ 3.41Å; I655-F665 HydrophobicContact CG1-CD2 4.2Å; I655-F665 HydrophobicContact CG1-CE2 3.73Å; I655-F665 HydrophobicContact CG1-CZ 4.29Å
656I92.3Very high90.8Very high89 Ų8956.1 Ų56.146%0.45631%0.313SS..EExtended strand (participates in β ladder)trans-98113.8176.8-52.2-58.9000108.9P654 E662P654-I656 HydrophobicContact CB-CD1 4.25Å; P654-I656 HydrophobicContact CG-CD1 3.94Å; I656-E662 HydrophobicContact CD1-CB 4.39Å; I656-E662 HydrophobicContact CD1-CG 3.67Å
657F92.6Very high90.6Very high12 Ų1255.2 Ų55.25%0.05331%0.31CS..  trans-74.1159.1175.4-74.8-7.4000112.2L529 L533 Q601 S605 I655 D659 G660 S661 Q663L529-F657 HydrophobicContact CD1-CZ 4.24Å; L529-F657 HydrophobicContact CD2-CZ 4.39Å; L533-F657 HydrophobicContact CD1-CZ 4.16Å; Q601-F657 HydrophobicContact CB-CD1 4.24Å; Q601-F657 HydrophobicContact CB-CD2 4.18Å; Q601-F657 HydrophobicContact CB-CE1 4.04Å; Q601-F657 HydrophobicContact CB-CE2 3.95Å; Q601-F657 HydrophobicContact CB-CG 4.3Å; Q601-F657 HydrophobicContact CB-CZ 3.87Å; Q601-F657 HydrophobicContact CG-CB 4.23Å; Q601-F657 HydrophobicContact CG-CD1 4.17Å; Q601-F657 HydrophobicContact CG-CD2 3.61Å; Q601-F657 HydrophobicContact CG-CE1 4.4Å; Q601-F657 HydrophobicContact CG-CE2 3.85Å; Q601-F657 HydrophobicContact CG-CG 3.76Å; Q601-F657 HydrophobicContact CG-CZ 4.24Å; S605-F657 WeakPolarHBondContact OG-CE1 3.49Å; I655-F657 HydrophobicContact CG2-CD1 4.12Å; I655-F657 HydrophobicContact CG2-CE1 4Å; F657-D659 WeakPolarHBondContact CB-OD1 3.44Å; F657-D659 PolarHBondContact O-N 3.48Å; F657-G660 WeakPolarHBondContact O-CA 3.48Å; F657-G660 PolarHBondContact O-N 3.3Å; F657-S661 WeakPolarHBondContact CD2-OG 3.25Å; F657-S661 PolarHBondContact N-O 3.34Å; F657-Q663 HydrophobicContact CD2-CG 3.89Å; F657-Q663 HydrophobicContact CE1-CB 4.32Å; F657-Q663 HydrophobicContact CE1-CG 4.14Å; F657-Q663 HydrophobicContact CE2-CB 4.38Å; F657-Q663 HydrophobicContact CE2-CG 3.38Å; F657-Q663 HydrophobicContact CG-CG 4.5Å; F657-Q663 HydrophobicContact CZ-CB 4.07Å; F657-Q663 HydrophobicContact CZ-CG 3.53Å
658P85.1Confident90.3Very high87 Ų8760.6 Ų60.657%0.56535%0.345SS*.THydrogen-bonded Turntrans-60.4-17.6179.9-24.533.6000115.1K600 G660K600-P658 HydrophobicContact CB-CG 4.04Å; P658-G660 VanDerWaalsContact C-N 3.31Å
659D86.9Confident90Very high74 Ų7463.6 Ų63.640%0.39637%0.368SS..THydrogen-bonded Turntrans-893.4174.259.88.3000113.4R597 Q601 F657 S661R597-D659 IonicContact CZ-OD2 2.69Å; R597-D659 IonicContact NE-OD2 2.55Å; R597-D659 IonicContact NH2-OD2 3.82Å; R597-D659 PolarHBondContact NH2-OD2 3.44Å; Q601-D659 PolarHBondContact NE2-OD2 3.41Å; F657-D659 WeakPolarHBondContact CB-OD1 3.44Å; F657-D659 PolarHBondContact O-N 3.48Å; D659-S661 VanDerWaalsContact C-N 3.3Å; D659-S661 WeakPolarHBondContact OD1-CB 3.47Å; D659-S661 PolarHBondContact OD1-N 3.11Å; D659-S661 PolarHBondContact OD1-OG 2.59Å
660G87.8Confident89.7Confident53 Ų5361.6 Ų61.655%0.54636%0.357SS..SBendtrans822.7-178.700000114.3F657 P658F657-G660 WeakPolarHBondContact O-CA 3.48Å; F657-G660 PolarHBondContact O-N 3.3Å; P658-G660 VanDerWaalsContact C-N 3.31Å
661S92.3Very high89.5Confident43 Ų4358.7 Ų58.730%0.30135%0.349SS..  trans-75.2140.4175.862.80000111.7F657 D659F657-S661 WeakPolarHBondContact CD2-OG 3.25Å; F657-S661 PolarHBondContact N-O 3.34Å; D659-S661 VanDerWaalsContact C-N 3.3Å; D659-S661 WeakPolarHBondContact OD1-CB 3.47Å; D659-S661 PolarHBondContact OD1-N 3.11Å; D659-S661 PolarHBondContact OD1-OG 2.59Å
662E92.7Very high89.4Confident117 Ų11761 Ų6155%0.54737%0.369SS..EExtended strand (participates in β ladder)trans-92.5134.4176.4-54.5-167.8158.700110P654 I655 I656P654-E662 HydrophobicContact CB-CB 4.02Å; P654-E662 HydrophobicContact CB-CG 4.48Å; I655-E662 WeakPolarHBondContact O-CA 3.45Å; I656-E662 HydrophobicContact CD1-CB 4.39Å; I656-E662 HydrophobicContact CD1-CG 3.67Å
663Q92.5Very high89.5Confident75 Ų7560 Ų6035%0.3537%0.37SS..EExtended strand (participates in β ladder)trans-129.4155.8172.7-68.9-59.7-4600110.5L533 P654 I655 F657L533-Q663 HydrophobicContact CD1-CB 4.47Å; L533-Q663 HydrophobicContact CD1-CG 4.46Å; L533-Q663 HydrophobicContact CD2-CB 4.45Å; P654-Q663 CarbonylContact C-O 3.27Å; P654-Q663 WeakPolarHBondContact CA-O 3.44Å; I655-Q663 HydrophobicContact CB-CB 4.41Å; I655-Q663 PolarHBondContact N-O 3.09Å; I655-Q663 PolarHBondContact O-N 2.84Å; F657-Q663 HydrophobicContact CD2-CG 3.89Å; F657-Q663 HydrophobicContact CE1-CB 4.32Å; F657-Q663 HydrophobicContact CE1-CG 4.14Å; F657-Q663 HydrophobicContact CE2-CB 4.38Å; F657-Q663 HydrophobicContact CE2-CG 3.38Å; F657-Q663 HydrophobicContact CG-CG 4.5Å; F657-Q663 HydrophobicContact CZ-CB 4.07Å; F657-Q663 HydrophobicContact CZ-CG 3.53Å
664F91.8Very high89.4Confident103 Ų10357.7 Ų57.745%0.45236%0.359SS..  trans-126.6151.3178.5-65.5-91.7000110P654P654-F664 HydrophobicContact CB-CD1 4.29Å; P654-F664 HydrophobicContact CB-CE1 3.72Å; P654-F664 HydrophobicContact CB-CE2 4.14Å; P654-F664 HydrophobicContact CB-CZ 3.64Å; P654-F664 HydrophobicContact CG-CE1 4.39Å; P654-F664 HydrophobicContact CG-CZ 4.28Å
665F92.9Very high89.3Confident6 Ų657 Ų573%0.02635%0.354CS..SBendtrans-77.7123.1167.6-70.1-78.1000109.8L532 L533 V537 S605 E608 R609 I655 T671L532-F665 HydrophobicContact CG-CE1 4.36Å; L533-F665 HydrophobicContact CD2-CD1 4.36Å; L533-F665 HydrophobicContact CD2-CE1 4.22Å; L533-F665 CarbonylContact O-C 3.52Å; L533-F665 WeakPolarHBondContact O-CA 3.41Å; V537-F665 HydrophobicContact CG1-CB 4.2Å; S605-F665 VanDerWaalsContact O-CZ 3.3Å; S605-F665 WeakPolarHBondContact O-CZ 3.37Å; E608-F665 HydrophobicContact CB-CE2 4.28Å; E608-F665 HydrophobicContact CB-CZ 4.49Å; E608-F665 HydrophobicContact CG-CE2 3.81Å; E608-F665 HydrophobicContact CG-CZ 4.49Å; R609-F665 HydrophobicContact CB-CE1 3.93Å; R609-F665 HydrophobicContact CB-CE2 4.48Å; R609-F665 HydrophobicContact CB-CZ 3.67Å; R609-F665 HydrophobicContact CG-CE1 4.48Å; I655-F665 HydrophobicContact CD1-CD1 4.49Å; I655-F665 HydrophobicContact CD1-CD2 3.79Å; I655-F665 HydrophobicContact CD1-CE1 4.04Å; I655-F665 HydrophobicContact CD1-CE2 3.28Å; I655-F665 HydrophobicContact CD1-CG 4.37Å; I655-F665 HydrophobicContact CD1-CZ 3.41Å; I655-F665 VanDerWaalsContact CD1-CZ 3.41Å; I655-F665 HydrophobicContact CG1-CD2 4.2Å; I655-F665 HydrophobicContact CG1-CE2 3.73Å; I655-F665 HydrophobicContact CG1-CZ 4.29Å; F665-T671 PolarHBondContact O-OG1 2.83Å
666G89.3Confident89.2Confident21 Ų2161.5 Ų61.522%0.21638%0.375CS..SBendtrans66.7-170.817700000113.7L533L533-G666 PolarHBondContact O-N 3.04Å
667S89.3Confident89Confident50 Ų5058.9 Ų58.935%0.3537%0.37SS..  trans-77.6163.1168.871.80000110.8S669 D670 T671S667-S669 PolarHBondContact O-N 2.92Å; S667-S669 VanDerWaalsContact O-N 3.1Å; S667-S669 PolarHBondContact OG-N 3.46Å; S667-D670 WeakPolarHBondContact CB-OD2 3.45Å; S667-D670 PolarHBondContact N-OD2 3.07Å; S667-D670 PolarHBondContact O-N 3.36Å; S667-D670 VanDerWaalsContact OG-CG 3.24Å; S667-D670 PolarHBondContact OG-N 2.83Å; S667-D670 PolarHBondContact OG-OD2 3.02Å; S667-T671 PolarHBondContact O-N 3.2Å; S667-T671 VanDerWaalsContact O-N 3.15Å
668P86.6Confident88.9Confident113 Ų11358.6 Ų58.673%0.73437%0.369SS*.Hα-helixtrans-53.3-30169.8-27.535.6000113.3A672P668-A672 VanDerWaalsContact O-CB 3.3Å; P668-A672 WeakPolarHBondContact O-CB 3.49Å; P668-A672 PolarHBondContact O-N 2.73Å
669S87.3Confident89.2Confident85 Ų8560.9 Ų60.959%0.59437%0.367SS*.Hα-helixtrans-68.5-39.6176.1-169.10000112.4S667 A672 A673S667-S669 PolarHBondContact O-N 2.92Å; S667-S669 VanDerWaalsContact O-N 3.1Å; S667-S669 PolarHBondContact OG-N 3.46Å; S669-A672 PolarHBondContact O-N 3.19Å; S669-A673 WeakPolarHBondContact O-CB 3.37Å; S669-A673 PolarHBondContact O-N 3Å
670D85.4Confident89.4Confident70 Ų7062.8 Ų62.837%0.37437%0.373SS..Hα-helixtrans-69.8-39179.7-55.6-51.5000111V537 S667 A673 T674V537-D670 HydrophobicContact CB-CB 4.48Å; V537-D670 HydrophobicContact CG1-CB 3.84Å; S667-D670 WeakPolarHBondContact CB-OD2 3.45Å; S667-D670 PolarHBondContact N-OD2 3.07Å; S667-D670 PolarHBondContact O-N 3.36Å; S667-D670 VanDerWaalsContact OG-CG 3.24Å; S667-D670 PolarHBondContact OG-N 2.83Å; S667-D670 PolarHBondContact OG-OD2 3.02Å; D670-A673 PolarHBondContact O-N 3.38Å; D670-T674 PolarHBondContact O-N 3.45Å; D670-T674 VanDerWaalsContact O-N 3.14Å; D670-T674 PolarHBondContact O-OG1 2.93Å
671T86.8Confident89.6Confident25 Ų2563.2 Ų63.215%0.15336%0.358CS..Hα-helixtrans-64.4-44.4173.2-59.70000110.7F665 S667 A673 T674 V675F665-T671 PolarHBondContact O-OG1 2.83Å; S667-T671 PolarHBondContact O-N 3.2Å; S667-T671 VanDerWaalsContact O-N 3.15Å; T671-A673 PolarHBondContact O-N 3.15Å; T671-T674 PolarHBondContact O-N 3.17Å; T671-V675 HydrophobicContact CG2-CG2 4.4Å; T671-V675 WeakPolarHBondContact O-CB 3.08Å; T671-V675 WeakPolarHBondContact O-CG2 3.19Å; T671-V675 PolarHBondContact O-N 3.31Å
672A86.9Confident89.5Confident56 Ų5662.3 Ų62.346%0.46335%0.35SS..Hα-helixtrans-61.5-42.5177.500000112.4P668 S669 T674 V675 E676P668-A672 VanDerWaalsContact O-CB 3.3Å; P668-A672 WeakPolarHBondContact O-CB 3.49Å; P668-A672 PolarHBondContact O-N 2.73Å; S669-A672 PolarHBondContact O-N 3.19Å; A672-T674 VanDerWaalsContact C-N 3.34Å; A672-T674 PolarHBondContact O-N 3.39Å; A672-V675 PolarHBondContact O-N 3.04Å; A672-E676 WeakPolarHBondContact O-CB 3.35Å; A672-E676 PolarHBondContact O-N 3.28Å
673A87.3Confident89.5Confident67 Ų6762.3 Ų62.355%0.55435%0.353SS*.Hα-helixtrans-61.4-42.1176.300000112.2S669 D670 T671 E676 G677S669-A673 WeakPolarHBondContact O-CB 3.37Å; S669-A673 PolarHBondContact O-N 3Å; D670-A673 PolarHBondContact O-N 3.38Å; T671-A673 PolarHBondContact O-N 3.15Å; A673-E676 PolarHBondContact O-N 3.25Å; A673-G677 PolarHBondContact O-N 2.67Å; A673-G677 VanDerWaalsContact O-N 3.13Å
674T86.9Confident89.4Confident28 Ų2862.3 Ų62.317%0.17236%0.355CS..Hα-helixtrans-66.9-40.8176.9-51.50000111.4L539 L651 D670 T671 A672 E676 G677 V678L539-T674 HydrophobicContact CD1-CG2 4.15Å; L539-T674 HydrophobicContact CG-CG2 4.2Å; L651-T674 HydrophobicContact CD1-CG2 3.95Å; L651-T674 HydrophobicContact CD2-CG2 4.14Å; D670-T674 PolarHBondContact O-N 3.45Å; D670-T674 VanDerWaalsContact O-N 3.14Å; D670-T674 PolarHBondContact O-OG1 2.93Å; T671-T674 PolarHBondContact O-N 3.17Å; A672-T674 VanDerWaalsContact C-N 3.34Å; A672-T674 PolarHBondContact O-N 3.39Å; T674-E676 VanDerWaalsContact C-N 3.35Å; T674-G677 PolarHBondContact O-N 2.84Å; T674-V678 WeakPolarHBondContact O-CG2 3.26Å; T674-V678 PolarHBondContact O-N 2.92Å
675V90.3Very high89.3Confident20 Ų2057.4 Ų57.412%0.12133%0.334CS..Hα-helixtrans-62.3-41.3175.11610000111.6L648 L651 T671 A672 V678 R679L648-V675 HydrophobicContact CD2-CB 4.14Å; L648-V675 HydrophobicContact CD2-CG1 3.82Å; L648-V675 HydrophobicContact CD2-CG2 4.12Å; L651-V675 HydrophobicContact CB-CG2 4.15Å; L651-V675 HydrophobicContact CD1-CG2 4.05Å; T671-V675 HydrophobicContact CG2-CG2 4.4Å; T671-V675 WeakPolarHBondContact O-CB 3.08Å; T671-V675 WeakPolarHBondContact O-CG2 3.19Å; T671-V675 PolarHBondContact O-N 3.31Å; A672-V675 PolarHBondContact O-N 3.04Å; V675-V678 PolarHBondContact O-N 3.36Å; V675-R679 WeakPolarHBondContact O-CG 3.43Å; V675-R679 PolarHBondContact O-N 3.08Å
676E90.1Very high89Confident97 Ų9760.7 Ų60.745%0.45335%0.349SS..Hα-helixtrans-65-44.2179.1-16260.9-151.800111.2A672 A673 T674 V678 R679 E680A672-E676 WeakPolarHBondContact O-CB 3.35Å; A672-E676 PolarHBondContact O-N 3.28Å; A673-E676 PolarHBondContact O-N 3.25Å; T674-E676 VanDerWaalsContact C-N 3.35Å; E676-V678 VanDerWaalsContact C-N 3.29Å; E676-V678 PolarHBondContact O-N 3.39Å; E676-R679 WeakPolarHBondContact O-CB 3.34Å; E676-R679 PolarHBondContact O-N 3.43Å; E676-E680 WeakPolarHBondContact O-CG 3.48Å; E676-E680 PolarHBondContact O-N 3.49Å
677G87.9Confident88.9Confident34 Ų3464.7 Ų64.735%0.35136%0.362SS..Hα-helixtrans-58.4-38.6176.200000113.5A673 T674 R681A673-G677 PolarHBondContact O-N 2.67Å; A673-G677 VanDerWaalsContact O-N 3.13Å; T674-G677 PolarHBondContact O-N 2.84Å; G677-R681 PolarHBondContact O-N 2.97Å; G677-R681 VanDerWaalsContact O-N 3.15Å
678V90.8Very high88.7Confident6 Ų664.8 Ų64.84%0.03636%0.355CS..Hα-helixtrans-68.2-39.7174.7177.20000111.4F619 L647 L648 L651 T674 V675 E676 R681 L682F619-V678 HydrophobicContact CD1-CG1 4.46Å; F619-V678 HydrophobicContact CE1-CG1 3.96Å; F619-V678 HydrophobicContact CZ-CG1 4.11Å; L647-V678 HydrophobicContact CD2-CG1 4.24Å; L647-V678 HydrophobicContact CD2-CG2 3.74Å; L647-V678 HydrophobicContact CG-CG2 4.41Å; L648-V678 HydrophobicContact CD1-CG1 4.33Å; L648-V678 HydrophobicContact CD2-CB 3.81Å; L648-V678 HydrophobicContact CD2-CG1 3.81Å; L648-V678 HydrophobicContact CG-CB 4.36Å; L648-V678 HydrophobicContact CG-CG1 3.78Å; L651-V678 HydrophobicContact CD1-CG2 4.45Å; T674-V678 WeakPolarHBondContact O-CG2 3.26Å; T674-V678 PolarHBondContact O-N 2.92Å; V675-V678 PolarHBondContact O-N 3.36Å; E676-V678 VanDerWaalsContact C-N 3.29Å; E676-V678 PolarHBondContact O-N 3.39Å; V678-R681 PolarHBondContact O-N 2.71Å; V678-L682 HydrophobicContact CG1-CD1 4.36Å; V678-L682 WeakPolarHBondContact O-CG 3.21Å; V678-L682 PolarHBondContact O-N 2.69Å
679R92.1Very high88.7Confident135 Ų13561.5 Ų61.551%0.50933%0.328SS..Hα-helixtrans-65.3-45176.9-73.9173.5177.8-100.4-3.1112.1L648 V675 E676 R681 L682 L683L648-R679 HydrophobicContact CD1-CG 4.09Å; L648-R679 HydrophobicContact CD2-CG 4.43Å; V675-R679 WeakPolarHBondContact O-CG 3.43Å; V675-R679 PolarHBondContact O-N 3.08Å; E676-R679 WeakPolarHBondContact O-CB 3.34Å; E676-R679 PolarHBondContact O-N 3.43Å; R679-R681 VanDerWaalsContact C-N 3.27Å; R679-R681 PolarHBondContact O-N 3.07Å; R679-L682 PolarHBondContact O-N 2.89Å; R679-L683 WeakPolarHBondContact O-CG 3.4Å; R679-L683 PolarHBondContact O-N 3.09Å
680E91.3Very high88.6Confident114 Ų11461.4 Ų61.453%0.53332%0.32SS..Hα-helixtrans-57.5-42.5175.2-73.5-178.317400111E676 L683 L684E676-E680 WeakPolarHBondContact O-CG 3.48Å; E676-E680 PolarHBondContact O-N 3.49Å; E680-L683 WeakPolarHBondContact O-CB 3.4Å; E680-L683 PolarHBondContact O-N 3.5Å; E680-L684 PolarHBondContact O-N 3.23Å
681R90.7Very high88.4Confident62 Ų6262.1 Ų62.123%0.23432%0.321CS..Hα-helixtrans-66.6-39.1177-166.164.6168-167.5-3.7112.7F619 A623 E624 G677 V678 R679 L683 L684 I685F619-R681 HydrophobicContact CE1-CB 3.93Å; F619-R681 HydrophobicContact CE1-CG 3.84Å; F619-R681 HydrophobicContact CZ-CB 3.89Å; F619-R681 HydrophobicContact CZ-CG 3.83Å; A623-R681 HydrophobicContact CB-CG 4.29Å; E624-R681 VanDerWaalsContact CG-NH2 3.33Å; G677-R681 PolarHBondContact O-N 2.97Å; G677-R681 VanDerWaalsContact O-N 3.15Å; V678-R681 PolarHBondContact O-N 2.71Å; R679-R681 VanDerWaalsContact C-N 3.27Å; R679-R681 PolarHBondContact O-N 3.07Å; R681-L683 VanDerWaalsContact C-N 3.32Å; R681-L684 WeakPolarHBondContact O-CB 3.45Å; R681-L684 PolarHBondContact O-N 2.98Å; R681-I685 WeakPolarHBondContact O-CG1 3.46Å; R681-I685 PolarHBondContact O-N 3.13Å
682L91.9Very high88Confident24 Ų2462 Ų6213%0.12632%0.32CS..Hα-helixtrans-64.3-35.4173.3-76.4170.4000112.3F619 D641 L648 V678 R679 L684 I685 E686F619-L682 HydrophobicContact CE2-CD2 3.67Å; F619-L682 HydrophobicContact CE2-CG 3.99Å; F619-L682 HydrophobicContact CZ-CD2 4.13Å; F619-L682 HydrophobicContact CZ-CG 3.96Å; D641-L682 WeakPolarHBondContact OD1-CD2 3.5Å; L648-L682 HydrophobicContact CD1-CD1 4.05Å; V678-L682 HydrophobicContact CG1-CD1 4.36Å; V678-L682 WeakPolarHBondContact O-CG 3.21Å; V678-L682 PolarHBondContact O-N 2.69Å; R679-L682 PolarHBondContact O-N 2.89Å; L682-L684 VanDerWaalsContact C-N 3.32Å; L682-L684 PolarHBondContact O-N 3.39Å; L682-I685 WeakPolarHBondContact O-CB 3.35Å; L682-I685 PolarHBondContact O-N 3.27Å; L682-I685 VanDerWaalsContact O-N 3.13Å; L682-E686 PolarHBondContact O-N 2.91Å
683L91.8Very high87.5Confident117 Ų11764.6 Ų64.661%0.61332%0.322SS*.Hα-helixtrans-62.3-39.6174.2-72.4171.2000112R679 E680 R681 I685 E686 E687R679-L683 WeakPolarHBondContact O-CG 3.4Å; R679-L683 PolarHBondContact O-N 3.09Å; E680-L683 WeakPolarHBondContact O-CB 3.4Å; E680-L683 PolarHBondContact O-N 3.5Å; R681-L683 VanDerWaalsContact C-N 3.32Å; L683-I685 VanDerWaalsContact C-N 3.26Å; L683-I685 PolarHBondContact O-N 3.46Å; L683-E686 PolarHBondContact O-N 3.26Å; L683-E687 PolarHBondContact O-N 3.28Å
684L90.3Very high87Confident76 Ų7667.1 Ų67.140%0.39832%0.323SS..Hα-helixtrans-63.2-33.4174.1-65.7173.8000112.3L627 E680 R681 L682 R688L627-L684 HydrophobicContact CD2-CB 4.48Å; E680-L684 PolarHBondContact O-N 3.23Å; R681-L684 WeakPolarHBondContact O-CB 3.45Å; R681-L684 PolarHBondContact O-N 2.98Å; L682-L684 VanDerWaalsContact C-N 3.32Å; L682-L684 PolarHBondContact O-N 3.39Å; L684-R688 WeakPolarHBondContact O-CB 3.44Å; L684-R688 PolarHBondContact O-N 3.01Å
685I89.3Confident86.2Confident0 Ų068.1 Ų68.10%033%0.333CS..Hα-helixtrans-69.6-40.3175.5-64.5-68.8000110.9A623 V626 L627 L637 V640 R681 L682 L683 R688 R689A623-I685 HydrophobicContact CB-CD1 3.98Å; A623-I685 HydrophobicContact CB-CG1 4.38Å; V626-I685 HydrophobicContact CB-CD1 4.49Å; V626-I685 HydrophobicContact CG1-CD1 4.32Å; L627-I685 HydrophobicContact CD1-CD1 4.07Å; L627-I685 HydrophobicContact CD2-CD1 3.98Å; L627-I685 HydrophobicContact CG-CD1 3.71Å; L637-I685 HydrophobicContact CD2-CG2 3.62Å; V640-I685 HydrophobicContact CB-CG2 4.49Å; V640-I685 HydrophobicContact CG1-CD1 4.06Å; V640-I685 HydrophobicContact CG1-CG1 3.87Å; V640-I685 HydrophobicContact CG1-CG2 4.27Å; R681-I685 WeakPolarHBondContact O-CG1 3.46Å; R681-I685 PolarHBondContact O-N 3.13Å; L682-I685 WeakPolarHBondContact O-CB 3.35Å; L682-I685 PolarHBondContact O-N 3.27Å; L682-I685 VanDerWaalsContact O-N 3.13Å; L683-I685 VanDerWaalsContact C-N 3.26Å; L683-I685 PolarHBondContact O-N 3.46Å; I685-R688 WeakPolarHBondContact O-CB 3.45Å; I685-R688 PolarHBondContact O-N 3.31Å; I685-R689 PolarHBondContact O-N 3.2Å
686E87.7Confident85.1Confident74 Ų7473 Ų7335%0.34635%0.35SS..Hα-helixtrans-66-40.4174.5-171.661.6-158.300111.9L682 L683 R688 R689 L690L682-E686 PolarHBondContact O-N 2.91Å; L683-E686 PolarHBondContact O-N 3.26Å; E686-R688 VanDerWaalsContact C-N 3.3Å; E686-R688 PolarHBondContact O-N 3.47Å; E686-R689 WeakPolarHBondContact O-CB 3.36Å; E686-R689 PolarHBondContact O-N 3.29Å; E686-R689 VanDerWaalsContact O-N 3.16Å; E686-R689 IonicContact OE2-CZ 3.3Å; E686-R689 IonicContact OE2-NE 3.55Å; E686-R689 IonicContact OE2-NH1 2.64Å; E686-R689 PolarHBondContact OE2-NH1 3.46Å; E686-L690 PolarHBondContact O-N 3.43Å
687E87.1Confident84Confident106 Ų10673.2 Ų73.250%0.49535%0.354SS..Hα-helixtrans-60.3-42.9173-170.9-178.4175.900111L683 R689 L690 Q691L683-E687 PolarHBondContact O-N 3.28Å; E687-R689 VanDerWaalsContact C-N 3.33Å; E687-R689 PolarHBondContact O-N 2.99Å; E687-L690 PolarHBondContact O-N 3.01Å; E687-Q691 WeakPolarHBondContact O-CG 3.33Å; E687-Q691 PolarHBondContact O-N 2.83Å
688R84.9Confident82.7Confident52 Ų5276.4 Ų76.420%0.19636%0.362CS..Hα-helixtrans-62.7-38.5174.5-175.359.2171.8168.82.2112.3L627 Q629 L684 I685 E686 Q691 L692L627-R688 HydrophobicContact CD2-CB 4.02Å; L627-R688 HydrophobicContact CD2-CG 4.31Å; Q629-R688 PolarHBondContact O-NH2 2.95Å; L684-R688 WeakPolarHBondContact O-CB 3.44Å; L684-R688 PolarHBondContact O-N 3.01Å; I685-R688 WeakPolarHBondContact O-CB 3.45Å; I685-R688 PolarHBondContact O-N 3.31Å; E686-R688 VanDerWaalsContact C-N 3.3Å; E686-R688 PolarHBondContact O-N 3.47Å; R688-Q691 PolarHBondContact O-N 3.45Å; R688-L692 HydrophobicContact CG-CD1 4.19Å; R688-L692 WeakPolarHBondContact O-CG 3.49Å; R688-L692 PolarHBondContact O-N 2.97Å
689R85.8Confident81.2Confident43 Ų4381 Ų8116%0.16239%0.386CS..Hα-helixtrans-60.3-47.1174.5178.5-177.5-79.1149.3-2.2110.9L637 D638 D641 I685 E686 E687 L692 Q693L637-R689 HydrophobicContact CD1-CB 4.04Å; L637-R689 HydrophobicContact CD1-CG 4.27Å; D638-R689 IonicContact OD1-CZ 3.97Å; D638-R689 IonicContact OD1-NH2 2.69Å; D638-R689 PolarHBondContact OD1-NH2 3.03Å; D641-R689 IonicContact OD2-CZ 2.71Å; D641-R689 VanDerWaalsContact OD2-CZ 3.24Å; D641-R689 IonicContact OD2-NH1 3.62Å; D641-R689 PolarHBondContact OD2-NH1 3.48Å; D641-R689 IonicContact OD2-NH2 3.62Å; D641-R689 PolarHBondContact OD2-NH2 2.99Å; I685-R689 PolarHBondContact O-N 3.2Å; E686-R689 WeakPolarHBondContact O-CB 3.36Å; E686-R689 PolarHBondContact O-N 3.29Å; E686-R689 VanDerWaalsContact O-N 3.16Å; E686-R689 IonicContact OE2-CZ 3.3Å; E686-R689 IonicContact OE2-NE 3.55Å; E686-R689 IonicContact OE2-NH1 2.64Å; E686-R689 PolarHBondContact OE2-NH1 3.46Å; E687-R689 VanDerWaalsContact C-N 3.33Å; E687-R689 PolarHBondContact O-N 2.99Å; R689-L692 PolarHBondContact O-N 3.02Å; R689-Q693 WeakPolarHBondContact O-CB 3.35Å; R689-Q693 PolarHBondContact O-N 3.16Å
690L85Confident79.5Confident84 Ų8478.9 Ų78.944%0.4439%0.385SS..Hα-helixtrans-63.2-45.2177.2-69.6171.4000111.8E686 E687 L692 Q693 E694E686-L690 PolarHBondContact O-N 3.43Å; E687-L690 PolarHBondContact O-N 3.01Å; L690-L692 VanDerWaalsContact C-N 3.32Å; L690-L692 PolarHBondContact O-N 3.37Å; L690-Q693 WeakPolarHBondContact O-CB 3.29Å; L690-Q693 PolarHBondContact O-N 2.88Å; L690-Q693 VanDerWaalsContact O-N 3.11Å; L690-E694 WeakPolarHBondContact O-CG 3.25Å; L690-E694 PolarHBondContact O-N 2.84Å
691Q82.1Confident77.7Confident84 Ų8478.9 Ų78.939%0.39339%0.385SS..Hα-helixtrans-58.7-41.4175.8-72.4173.36.100112.6E687 R688 Q693 A695E687-Q691 WeakPolarHBondContact O-CG 3.33Å; E687-Q691 PolarHBondContact O-N 2.83Å; R688-Q691 PolarHBondContact O-N 3.45Å; Q691-Q693 VanDerWaalsContact C-N 3.35Å; Q691-A695 VanDerWaalsContact O-CB 3.29Å; Q691-A695 WeakPolarHBondContact O-CB 3.46Å; Q691-A695 PolarHBondContact O-N 2.94Å
692L78.8Confident75.9Confident23 Ų2380.5 Ų80.512%0.1240%0.399CS..Hα-helixtrans-70.1-32.2177-72.2167.6000112.1V632 L637 R688 R689 L690 R696V632-L692 HydrophobicContact CB-CD1 3.84Å; V632-L692 HydrophobicContact CG1-CD1 4.44Å; V632-L692 HydrophobicContact CG2-CD1 4.43Å; L637-L692 HydrophobicContact CD1-CD1 4.13Å; R688-L692 HydrophobicContact CG-CD1 4.19Å; R688-L692 WeakPolarHBondContact O-CG 3.49Å; R688-L692 PolarHBondContact O-N 2.97Å; R689-L692 PolarHBondContact O-N 3.02Å; L690-L692 VanDerWaalsContact C-N 3.32Å; L690-L692 PolarHBondContact O-N 3.37Å; L692-R696 WeakPolarHBondContact O-CB 3.46Å; L692-R696 VanDerWaalsContact O-CG 3.25Å; L692-R696 WeakPolarHBondContact O-CG 3.4Å; L692-R696 PolarHBondContact O-N 3.36Å
693Q76.6Confident73.9Confident111 Ų11184.7 Ų84.752%0.51942%0.418SS..Hα-helixtrans-70.8-42174.5-169.7175.2-0.300111.4R689 L690 Q691 R696 L697R689-Q693 WeakPolarHBondContact O-CB 3.35Å; R689-Q693 PolarHBondContact O-N 3.16Å; L690-Q693 WeakPolarHBondContact O-CB 3.29Å; L690-Q693 PolarHBondContact O-N 2.88Å; L690-Q693 VanDerWaalsContact O-N 3.11Å; Q691-Q693 VanDerWaalsContact C-N 3.35Å; Q693-R696 PolarHBondContact O-N 3.37Å; Q693-L697 WeakPolarHBondContact O-CG 3.36Å; Q693-L697 PolarHBondContact O-N 3.24Å
694E76.4Confident72.1Confident120 Ų12085.9 Ų85.956%0.56142%0.42SS*.Hα-helixtrans-63.1-44.7172.4-73.1178.3176.700111.5L690 R696 L697 L698L690-E694 WeakPolarHBondContact O-CG 3.25Å; L690-E694 PolarHBondContact O-N 2.84Å; E694-R696 VanDerWaalsContact C-N 3.3Å; E694-R696 PolarHBondContact O-N 3.49Å; E694-L697 PolarHBondContact O-N 3.42Å; E694-L697 VanDerWaalsContact O-N 3.15Å; E694-L698 WeakPolarHBondContact O-CG 3.49Å; E694-L698 PolarHBondContact O-N 3.15Å
695A70.2Confident70.2Confident48 Ų4889 Ų8940%0.39743%0.432SS..Hα-helixtrans-63.4-33.1175.700000112.9Q691 N699Q691-A695 VanDerWaalsContact O-CB 3.29Å; Q691-A695 WeakPolarHBondContact O-CB 3.46Å; Q691-A695 PolarHBondContact O-N 2.94Å; A695-N699 WeakPolarHBondContact O-CB 3.47Å; A695-N699 PolarHBondContact O-N 3.11Å
696R67.3Low68.3Low122 Ų12296 Ų9646%0.4647%0.465SS..Hα-helixtrans-69.9-36.8172.3-77.9174.7-172.4173.56.6112.5V632 L692 Q693 E694 N700V632-R696 PolarHBondContact O-NH2 3.06Å; L692-R696 WeakPolarHBondContact O-CB 3.46Å; L692-R696 VanDerWaalsContact O-CG 3.25Å; L692-R696 WeakPolarHBondContact O-CG 3.4Å; L692-R696 PolarHBondContact O-N 3.36Å; Q693-R696 PolarHBondContact O-N 3.37Å; E694-R696 VanDerWaalsContact C-N 3.3Å; E694-R696 PolarHBondContact O-N 3.49Å; R696-N700 WeakPolarHBondContact O-CB 3.49Å; R696-N700 PolarHBondContact O-N 3.02Å; R696-N700 PolarHBondContact O-ND2 3Å; R696-N700 PolarHBondContact O-OD1 2.9Å
697L65.9Low66.5Low103 Ų10398.2 Ų98.254%0.53948%0.476SS..Hα-helixtrans-69.1-42.2175.8-70.4168.7000111.3Q693 E694 N700 E701Q693-L697 WeakPolarHBondContact O-CG 3.36Å; Q693-L697 PolarHBondContact O-N 3.24Å; E694-L697 PolarHBondContact O-N 3.42Å; E694-L697 VanDerWaalsContact O-N 3.15Å; L697-N700 PolarHBondContact O-N 3.38Å; L697-E701 WeakPolarHBondContact O-CG 3.4Å; L697-E701 PolarHBondContact O-N 3.49Å
698L61.3Low64.6Low101 Ų101101.5 Ų101.553%0.52949%0.491SS..Hα-helixtrans-63.8-43.5175-75.3158.8000112.3E694 N700 E701 D702E694-L698 WeakPolarHBondContact O-CG 3.49Å; E694-L698 PolarHBondContact O-N 3.15Å; L698-N700 VanDerWaalsContact C-N 3.3Å; L698-N700 PolarHBondContact O-N 3.34Å; L698-E701 PolarHBondContact O-N 2.98Å; L698-D702 PolarHBondContact O-N 3.45Å
699N59.1Low62.9Low101 Ų101103.1 Ų103.154%0.5452%0.515SS..Hα-helixtrans-62.8-35.6173.4-95.223.9000112.6A695 E703A695-N699 WeakPolarHBondContact O-CB 3.47Å; A695-N699 PolarHBondContact O-N 3.11Å; N699-E703 WeakPolarHBondContact O-CG 3.44Å; N699-E703 PolarHBondContact O-N 3.04Å
700N55.8Low61.3Low91 Ų91106.5 Ų106.549%0.48754%0.54SS..Hα-helixtrans-72.7-33176.5-72.8-4.4000112.2R696 L697 L698 E704R696-N700 WeakPolarHBondContact O-CB 3.49Å; R696-N700 PolarHBondContact O-N 3.02Å; R696-N700 PolarHBondContact O-ND2 3Å; R696-N700 PolarHBondContact O-OD1 2.9Å; L697-N700 PolarHBondContact O-N 3.38Å; L698-N700 VanDerWaalsContact C-N 3.3Å; L698-N700 PolarHBondContact O-N 3.34Å; N700-E704 PolarHBondContact O-N 3.27Å
701E54.9Low59.4Low114 Ų114109.3 Ų109.353%0.53356%0.556SS.*Hα-helixtrans-70.6-36173.3-75.2-177.1170.200112.1L697 L698 E704 Q705L697-E701 WeakPolarHBondContact O-CG 3.4Å; L697-E701 PolarHBondContact O-N 3.49Å; L698-E701 PolarHBondContact O-N 2.98Å; E701-E704 PolarHBondContact O-N 3.47Å; E701-Q705 PolarHBondContact O-N 2.94Å; E701-Q705 VanDerWaalsContact O-N 3.1Å
702D51.9Low57.7Low97 Ų97108.2 Ų108.252%0.51957%0.567SS.*Hα-helixtrans-67.7-37.8172.5-76.3-25.2000111.6L698 Q705 E706L698-D702 PolarHBondContact O-N 3.45Å; D702-Q705 PolarHBondContact O-N 3.47Å; D702-E706 PolarHBondContact O-N 3.48Å; D702-E706 VanDerWaalsContact O-N 3.12Å
703E50.9Low55.9Low112 Ų112114.5 Ų114.552%0.52360%0.6SS.*Hα-helixtrans-67.7-37.5172.5-77.4-176.2-177.200112.4N699 Q705 E706 Q707N699-E703 WeakPolarHBondContact O-CG 3.44Å; N699-E703 PolarHBondContact O-N 3.04Å; E703-Q705 VanDerWaalsContact C-N 3.35Å; E703-Q705 PolarHBondContact O-N 2.95Å; E703-E706 PolarHBondContact O-N 2.92Å; E703-Q707 WeakPolarHBondContact O-CB 3.48Å; E703-Q707 PolarHBondContact O-N 3.12Å; E703-Q707 PolarHBondContact O-OE1 3.24Å
704E52Low54Low141 Ų141117.6 Ų117.666%0.65962%0.615SS**Hα-helixtrans-66.5-32.7174.1-80.7-173.616900112.7N700 E701 E708N700-E704 PolarHBondContact O-N 3.27Å; E701-E704 PolarHBondContact O-N 3.47Å; E704-E708 PolarHBondContact O-N 3.42Å
705Q51.3Low51.9Low141 Ų141115.2 Ų115.266%0.65962%0.622SS**Hα-helixtrans-73-32.3173.3-73.4-175.721.300113.3E701 D702 E703E701-Q705 PolarHBondContact O-N 2.94Å; E701-Q705 VanDerWaalsContact O-N 3.1Å; D702-Q705 PolarHBondContact O-N 3.47Å; E703-Q705 VanDerWaalsContact C-N 3.35Å; E703-Q705 PolarHBondContact O-N 2.95Å
706E50.2Low50.2Low147 Ų147124 Ų12469%0.68765%0.645SS**Hα-helixtrans-74.4-30.9171.6-81.3-171153.900112.6D702 E703 A709 V710D702-E706 PolarHBondContact O-N 3.48Å; D702-E706 VanDerWaalsContact O-N 3.12Å; E703-E706 PolarHBondContact O-N 2.92Å; E706-A709 PolarHBondContact O-N 3.33Å; E706-V710 WeakPolarHBondContact O-CG2 3.49Å
707Q48.7Very low48.6Very low122 Ų122125.2 Ų125.257%0.5766%0.66SS**Hα-helixtrans-74.3-27.3177.3-125.994.236.200114E703 A709 N711E703-Q707 WeakPolarHBondContact O-CB 3.48Å; E703-Q707 PolarHBondContact O-N 3.12Å; E703-Q707 PolarHBondContact O-OE1 3.24Å; Q707-A709 VanDerWaalsContact C-N 3.35Å; Q707-N711 PolarHBondContact O-ND2 3.1Å
708E48.6Very low46.9Very low175 Ų175126.9 Ų126.982%0.81867%0.669SS**Hα-helixtrans-74.9-19.5174-85.9-166.5153.400113.6E704E704-E708 PolarHBondContact O-N 3.42Å
709A48.7Very low45.5Very low86 Ų86127.5 Ų127.571%0.71168%0.677SS**Hα-helixtrans-83.5-18.5174.800000113.9E706 Q707E706-A709 PolarHBondContact O-N 3.33Å; Q707-A709 VanDerWaalsContact C-N 3.35Å
710V52.5Low44.2Very low113 Ų113130.6 Ų130.669%0.68569%0.692SS**Hα-helixtrans-102.7-17.3-172179.40000113.8E706 G712E706-V710 WeakPolarHBondContact O-CG2 3.49Å; V710-G712 PolarHBondContact O-N 3.16Å; V710-G712 VanDerWaalsContact O-N 3.16Å
711N44.5Very low42.9Very low144 Ų144129 Ų12977%0.7770%0.697SS**THydrogen-bonded Turntrans-87.127.7-178.8-79.5-34.2000115.3Q707Q707-N711 PolarHBondContact O-ND2 3.1Å
712G45.2Very low41.7Very low61 Ų61132.3 Ų132.363%0.62971%0.713SS**THydrogen-bonded Turntrans-120.120.3-174.200000116V710V710-G712 PolarHBondContact O-N 3.16Å; V710-G712 VanDerWaalsContact O-N 3.16Å
713L41.3Very low40.7Very low155 Ų155135.1 Ų135.181%0.81272%0.723SS**SBendtrans-157.9101.1168.1-97.9138.9000112.8
714E36.4Very low39.7Very low176 Ų176136.3 Ų136.382%0.82273%0.732SS**  86.696.1127.4-137.4162.2-153.800120
715G33.5Very low38.5Very low70 Ų70134.3 Ų134.372%0.72273%0.734SS**  trans-85.2115147.300000110.8
716R33.7Very low37.6Very low232 Ų232135.1 Ų135.188%0.87574%0.737SS**  166.8110129.4-90.8170.990.2164.36.1111.4
717L34.4Very low36.7Very low147 Ų147134.6 Ų134.677%0.7773%0.733SS**  18.3136.9128.9-66.3153000116.1
718D29.8Very low36Very low138 Ų138135.2 Ų135.274%0.73874%0.736SS**  cis-179.6-179.227.8-126.9-22.2000107.2
719V32.6Very low35.2Very low115 Ų115133.2 Ų133.270%0.69773%0.726SS**  trans115.8100.4146.7-172.40000118.1
720I30.3Very low34.5Very low166 Ų166135.7 Ų135.785%0.85172%0.723SS**  trans74.2132134.6-57.5171.5000121.7
721G29.5Very low33.6Very low58 Ų58135.6 Ų135.660%0.59872%0.719SS**  trans125.6107146.800000112.5
722E30.3Very low33.2Very low183 Ų183135.9 Ų135.986%0.85572%0.715SS**  52.9128.693.7-75.8-176.3166.700111.9
723E29.5Very low32.8Very low156 Ų156139.3 Ų139.373%0.72972%0.715SS**  cis-169.7153.517.8-116-176.916100107.2
724L30Very low32.4Very low137 Ų137138.7 Ų138.772%0.71771%0.708SS**  trans49.6129.1140.8-65.7167.8000124
725S27.5Very low32.3Very low99 Ų99138.9 Ų138.969%0.69271%0.706SS**  trans70.9145.1137.379.60000115.9
726E32.4Very low32.2Very low158 Ų158144.6 Ų144.674%0.73871%0.714SS**  cis-173.7154.828.7-135.2169-154.400106.4
727K31.6Very low32.1Very low136 Ų136138.5 Ų138.559%0.59171%0.713SS**  trans70.4123.2142.2-82.6171.8162.1-104.70119.7
728E32.8Very low32.1Very low134 Ų134139.8 Ų139.863%0.62672%0.715SS**  72133103.8-71.2171178.500109.9
729E33.2Very low32.3Very low134 Ų134141.7 Ų141.763%0.62672%0.72SS**  cis-179.4147.334.8-132.4173.3172.800106.9
730Q32.8Very low32.5Very low137 Ų137145 Ų14564%0.6473%0.727SS**  trans71.3132.6131.4-9016311.800124.1
731D34.7Very low32.7Very low111 Ų111144.6 Ų144.659%0.59473%0.727SS**  122.8101.2126.5-75-6.4000113.2
732E35.4Very low33.2Very low150 Ų150150.4 Ų150.470%0.70174%0.739SS**  85.9138.689.1-83-169.6171.400107.8
733E36Very low33.5Very low134 Ų134150 Ų15063%0.62674%0.742SS**  cis-171.4139.218.2-129.6179.717600105.3
734E33.1Very low33.7Very low141 Ų141147.4 Ų147.466%0.65974%0.741SS**  93.5110.9110.2-125.9-172-159.600115.6
735K35.1Very low34.1Very low180 Ų180147.5 Ų147.578%0.78374%0.738SS**  172.4122.697-95.5-177.2-176.3173.10112.9
736E31.8Very low34.6Very low191 Ų191152.6 Ų152.689%0.89374%0.742SS**  trans-63.7153.7157-64.8170.1146.500111.3
737A32Very low35.1Very low103 Ų103149.3 Ų149.385%0.85174%0.742SS**  -166.1122.8126.400000110.4
738E33.6Very low35.4Very low175 Ų175150 Ų15082%0.81876%0.758SS**  trans-63.8157170.3-60.9168.7134.900112.4
739H33.7Very low36Very low178 Ų178152.2 Ų152.282%0.82477%0.768SS**  -166.8107.9121.9-99.9-38.3000110.6
740Q37.2Very low36.7Very low184 Ų184153 Ų15386%0.8678%0.777SS**  trans-90.6140143.1-74.7177-13.500106.6
741D34.2Very low37Very low158 Ų158161.2 Ų161.285%0.84580%0.802SS**  trans-154.7130.8144.9-108.9-21.1000110.1
742E41.1Very low37.1Very low180 Ų180163.8 Ų163.884%0.84181%0.812SS**  trans-68.5148.7163.9-62.1178.3142.100108.9
743D35.3Very low37.2Very low173 Ų173164.5 Ų164.593%0.92582%0.818SS**  trans-159.3150.6134-122.6-22.9000114.1
744S35Very low37.3Very low102 Ų102166.2 Ų166.271%0.71383%0.829SS**  trans-104171.1-166.8-150.70000112.8
745E37.4Very low37.6Very low139 Ų139167.6 Ų167.665%0.6584%0.839SS**  trans80.7119.9154.4-65.7-152.8143.500122.9
746R37.3Very low37.7Very low206 Ų206166.9 Ų166.978%0.77784%0.842SS**  78.9113.5127.7-74.8177.7-178.7172.76.4121.4
747A43.5Very low38.1Very low89 Ų89165.3 Ų165.374%0.73684%0.839SS**  55.9120.6123.500000119.7
748T39.1Very low38.5Very low151 Ų151169.7 Ų169.793%0.92684%0.838SS**  -164.2150.4118.624.50000112.5
749Q45.3Very low38.9Very low181 Ų181169.3 Ų169.385%0.84684%0.84SS**  trans-70.3174.2174.7-118.4160.9-29.900114.1
750D46.8Very low39.4Very low151 Ų151168.6 Ų168.681%0.80784%0.841SS**  trans82.5125.6171.3-68.8-13.2000115.1
751R40.1Very low39.6Very low309 Ų309167.2 Ų167.2100%1.16684%0.839SS**  cis-164.3033.6-144.3-178.8-166-178.13.4111.3

Retrieved 751 of 751 residues in 180 ms (Link to these results)

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