G4VC21_SCHMA Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession G4VC21, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 378 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
1M53.2Low87.9Confident209 Ų20987.4 Ų87.4100%1.0353%0.526SS*.  0124.60-72.4-163.3-86.300107.1
2G68Low88.7Confident47 Ų4784.2 Ų84.249%0.48550%0.5SS..  trans-68.7169.6172.700000110.7
3G83.8Confident89.5Confident43 Ų4386.8 Ų86.844%0.44350%0.497SS..  trans-61.3157172.300000111.6L34G3-L34 WeakPolarHBondContact O-CG 3.3Å
4L93.5Very high90.1Very high91 Ų9185.1 Ų85.148%0.47649%0.486SS..EExtended strand (participates in β ladder)trans-110.6151.6171.5-61.5179000109.7W32L4-W32 CarbonylContact C-O 3.6Å; L4-W32 WeakPolarHBondContact CA-O 3.4Å; L4-W32 HydrophobicContact CD2-CB 4.06Å
5L95.4Very high90.7Very high45 Ų4582.9 Ų82.924%0.23647%0.469CS..EExtended strand (participates in β ladder)trans-68.6159.7169.3-63.8172.3000110.8S7 K9 W32 R33 L34L5-S7 WeakPolarHBondContact CB-O 3.32Å; L5-S7 PolarHBondContact O-N 3.29Å; L5-K9 HydrophobicContact CD1-CD 4.45Å; L5-K9 HydrophobicContact CD1-CG 3.91Å; L5-W32 PolarHBondContact N-O 3.43Å; L5-R33 WeakPolarHBondContact CD1-O 3.33Å; L5-R33 WeakPolarHBondContact CG-O 3.39Å; L5-L34 HydrophobicContact CD2-CD2 3.82Å; L5-L34 HydrophobicContact CG-CD2 4.31Å
6S92.9Very high91.2Very high124 Ų12482.5 Ų82.587%0.86747%0.469SS*.EExtended strand (participates in β ladder)trans-71-21.6172.254.50000113.4
7S92.4Very high91.6Very high70 Ų7079.2 Ų79.249%0.4946%0.458SS..EExtended strand (participates in β ladder)trans-148.5146.9175.855.70000108.7L5L5-S7 WeakPolarHBondContact CB-O 3.32Å; L5-S7 PolarHBondContact O-N 3.29Å
8P96.1Very high92Very high35 Ų3579.7 Ų79.723%0.22747%0.466CS..EExtended strand (participates in β ladder)trans-71.2148.1-179.830.4-31.3000110.4T10 G31 W32 L278P8-T10 HydrophobicContact CB-CG2 4.21Å; P8-T10 HydrophobicContact CG-CG2 4.07Å; P8-G31 CarbonylContact C-O 3.23Å; P8-G31 VanDerWaalsContact CA-O 3.26Å; P8-G31 WeakPolarHBondContact CA-O 3.09Å; P8-W32 HydrophobicContact CB-CD2 3.88Å; P8-W32 HydrophobicContact CB-CE3 4.45Å; P8-W32 HydrophobicContact CB-CG 4.04Å; P8-W32 HydrophobicContact CB-CZ2 4.38Å; P8-W32 HydrophobicContact CG-CD2 4.27Å; P8-W32 HydrophobicContact CG-CH2 4.36Å; P8-W32 HydrophobicContact CG-CZ2 3.87Å; P8-L278 HydrophobicContact CB-CD1 4.07Å; P8-L278 HydrophobicContact CG-CD1 4.42Å; P8-L278 HydrophobicContact CG-CD2 4.37Å
9K96.9Very high92.3Very high100 Ų10076.5 Ų76.544%0.43545%0.451SS..EExtended strand (participates in β ladder)trans-89.1113.5164-68.8-169.2-162.4164.80108.8L5 M29 Q30 G31L5-K9 HydrophobicContact CD1-CD 4.45Å; L5-K9 HydrophobicContact CD1-CG 3.91Å; K9-M29 WeakPolarHBondContact O-CG 3.44Å; K9-Q30 HydrophobicContact CB-CB 4.18Å; K9-G31 PolarHBondContact N-O 3.46Å; K9-G31 PolarHBondContact O-N 3.41Å
10T97Very high92.5Very high53 Ų5374.8 Ų74.833%0.32544%0.44SS..EExtended strand (participates in β ladder)trans-104.1-0.5-170.9540000114.3P8 K12 M29 L278P8-T10 HydrophobicContact CB-CG2 4.21Å; P8-T10 HydrophobicContact CG-CG2 4.07Å; T10-K12 WeakPolarHBondContact O-CG 3.5Å; T10-K12 PolarHBondContact O-N 3.39Å; T10-K12 PolarHBondContact O-NZ 3.32Å; T10-M29 HydrophobicContact CG2-SD 4.28Å; T10-L278 HydrophobicContact CG2-CD2 3.71Å
11D97.3Very high92.7Very high144 Ų14473.2 Ų73.277%0.7744%0.439SS*.EExtended strand (participates in β ladder)trans-57.7132.8168.6-64.3-60.7000109.6
12K98.2Very high94.9Very high49 Ų4963.4 Ų63.421%0.21339%0.391CS..EExtended strand (participates in β ladder)trans-115.6134.8-176.5-53.2-174.5-178.4650110.9T10 N14 S28 M29 N271 I274 D275T10-K12 WeakPolarHBondContact O-CG 3.5Å; T10-K12 PolarHBondContact O-N 3.39Å; T10-K12 PolarHBondContact O-NZ 3.32Å; K12-N14 PolarHBondContact O-ND2 3.22Å; K12-S28 CarbonylContact C-O 3.58Å; K12-S28 VanDerWaalsContact CA-O 3.23Å; K12-S28 WeakPolarHBondContact CA-O 3.25Å; K12-M29 HydrophobicContact CG-CB 4.14Å; K12-M29 HydrophobicContact CG-CG 4.2Å; K12-M29 HydrophobicContact CG-SD 4.28Å; K12-N271 HydrophobicContact CD-CB 3.95Å; K12-N271 WeakPolarHBondContact CD-OD1 3.32Å; K12-I274 HydrophobicContact CD-CG2 4.47Å; K12-D275 WeakPolarHBondContact CE-OD1 3.45Å; K12-D275 VanDerWaalsContact NZ-CG 3.33Å; K12-D275 IonicContact NZ-OD1 3.67Å; K12-D275 PolarHBondContact NZ-OD1 2.82Å; K12-D275 IonicContact NZ-OD2 2.68Å; K12-D275 PolarHBondContact NZ-OD2 3.25Å
13Y98.6Very high96.3Very high119 Ų11963.4 Ų63.447%0.46738%0.376SS..EExtended strand (participates in β ladder)trans-79.2139.1161.3173.5-90.1000108.6E15 S27 S28 H40Y13-E15 HydrophobicContact CE1-CB 3.84Å; Y13-E15 PolarHBondContact OH-OE2 3.4Å; Y13-S27 VanDerWaalsContact O-CA 3.28Å; Y13-S27 WeakPolarHBondContact O-CA 3.48Å; Y13-S28 PolarHBondContact N-O 3.19Å; Y13-S28 PolarHBondContact O-N 3.07Å; Y13-S28 VanDerWaalsContact O-N 3.07Å; Y13-H40 AromaticContact CD1-CE1 3.52Å; Y13-H40 AromaticContact CD1-NE2 3.55Å; Y13-H40 AromaticContact CE1-CE1 3.63Å; Y13-H40 AromaticContact CE1-NE2 3.14Å; Y13-H40 WeakPolarHBondContact CE1-NE2 3.45Å
14N98.6Very high97Very high63 Ų6362.4 Ų62.434%0.33736%0.36SS..EExtended strand (participates in β ladder)trans-132.2140.3179.3-69.9-83.6000110.1K12 I26 N271K12-N14 PolarHBondContact O-ND2 3.22Å; N14-I26 WeakPolarHBondContact CA-O 3.34Å; N14-N271 VanDerWaalsContact OD1-CG 3.23Å; N14-N271 PolarHBondContact OD1-ND2 2.82Å; N14-N271 PolarHBondContact OD1-OD1 3.08Å
15E98.6Very high97.3Very high51 Ų5158.1 Ų58.124%0.23834%0.337CS..EExtended strand (participates in β ladder)trans-140.1142.6171.4-170.9-176.9135.200109.5Y13 Y24 G25 I26Y13-E15 HydrophobicContact CE1-CB 3.84Å; Y13-E15 PolarHBondContact OH-OE2 3.4Å; E15-Y24 HydrophobicContact CG-CE2 3.98Å; E15-Y24 WeakPolarHBondContact OE1-CE2 3.5Å; E15-Y24 PolarHBondContact OE1-OH 3.22Å; E15-G25 CarbonylContact O-C 3.57Å; E15-G25 WeakPolarHBondContact O-CA 3.35Å; E15-I26 HydrophobicContact CB-CB 4.09Å; E15-I26 HydrophobicContact CB-CD1 4.11Å; E15-I26 HydrophobicContact CB-CG1 4.21Å; E15-I26 HydrophobicContact CG-CD1 4.5Å; E15-I26 PolarHBondContact N-O 3.16Å; E15-I26 PolarHBondContact O-N 3.45Å
16T98.3Very high97.4Very high77 Ų7756 Ų5647%0.47233%0.326SS..EExtended strand (participates in β ladder)trans-137.7153.8171.458.90000110.2Y24 D265 S267T16-Y24 WeakPolarHBondContact CA-O 3.45Å; T16-D265 VanDerWaalsContact CG2-OD1 3.28Å; T16-D265 WeakPolarHBondContact CG2-OD1 3.23Å; T16-S267 VanDerWaalsContact CG2-CB 3.46Å; T16-S267 VanDerWaalsContact CG2-OG 3.31Å; T16-S267 WeakPolarHBondContact CG2-OG 3.39Å
17G98.3Very high97.7Very high26 Ų2650 Ų5027%0.26828%0.284SS..EExtended strand (participates in β ladder)trans-172.9-179.4174.500000113R23 Y24G17-R23 CarbonylContact O-C 3.56Å; G17-R23 WeakPolarHBondContact O-CA 3.36Å; G17-Y24 VanDerWaalsContact C-CD1 3.47Å; G17-Y24 VanDerWaalsContact C-CE1 3.42Å; G17-Y24 PolarHBondContact N-O 3.09Å; G17-Y24 VanDerWaalsContact N-O 3.17Å; G17-Y24 VanDerWaalsContact O-CD1 3.31Å; G17-Y24 WeakPolarHBondContact O-CD1 3.4Å; G17-Y24 PolarHBondContact O-N 3.04Å
18C98.3Very high98Very high89 Ų8947.2 Ų47.260%0.60126%0.264SS*.EExtended strand (participates in β ladder)trans-149162.6178.3660000111.7L22 R23 T44C18-L22 CarbonylContact C-O 3.55Å; C18-L22 WeakPolarHBondContact CA-O 3.18Å; C18-L22 VanDerWaalsContact CB-O 3.23Å; C18-L22 WeakPolarHBondContact CB-O 3.35Å; C18-R23 HydrophobicContact CB-CG 4.17Å; C18-T44 PolarHBondContact O-OG1 3.1Å
19G98Very high98.2Very high19 Ų1945.6 Ų45.620%0.19625%0.254CS..EExtended strand (participates in β ladder)trans159.4155.4178.100000110.9G21 L22G19-G21 PolarHBondContact O-N 3.45Å; G19-G21 VanDerWaalsContact O-N 3.11Å; G19-L22 PolarHBondContact N-O 2.98Å; G19-L22 WeakPolarHBondContact O-CA 3.45Å; G19-L22 WeakPolarHBondContact O-CB 3.34Å; G19-L22 PolarHBondContact O-N 3.11Å
20N97.1Very high98.2Very high42 Ų4242.1 Ų42.123%0.22524%0.239CC..THydrogen-bonded Turntrans52.133.7-179.2-69.4-14.3000115L22 T44 K51 D52 W53N20-L22 VanDerWaalsContact C-N 3.28Å; N20-L22 PolarHBondContact O-N 3Å; N20-T44 PolarHBondContact ND2-O 3.29Å; N20-K51 PolarHBondContact ND2-O 3.48Å; N20-K51 PolarHBondContact OD1-O 3.41Å; N20-D52 VanDerWaalsContact ND2-CA 3.33Å; N20-D52 WeakPolarHBondContact ND2-CA 3.44Å; N20-W53 PolarHBondContact ND2-N 2.9Å; N20-W53 PolarHBondContact ND2-O 3.4Å; N20-W53 VanDerWaalsContact ND2-O 3.16Å
21G96.6Very high98.3Very high41 Ų4139.6 Ų39.642%0.42322%0.224SC..THydrogen-bonded Turntrans73.618-177.700000113.9G19G19-G21 PolarHBondContact O-N 3.45Å; G19-G21 VanDerWaalsContact O-N 3.11Å
22L98.4Very high98.3Very high4 Ų436.6 Ų36.62%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-116.1148.2179.4-49.8176.4000110C18 G19 N20 S54 F56 I136 V291 A292 F293C18-L22 CarbonylContact C-O 3.55Å; C18-L22 WeakPolarHBondContact CA-O 3.18Å; C18-L22 VanDerWaalsContact CB-O 3.23Å; C18-L22 WeakPolarHBondContact CB-O 3.35Å; G19-L22 PolarHBondContact N-O 2.98Å; G19-L22 WeakPolarHBondContact O-CA 3.45Å; G19-L22 WeakPolarHBondContact O-CB 3.34Å; G19-L22 PolarHBondContact O-N 3.11Å; N20-L22 VanDerWaalsContact C-N 3.28Å; N20-L22 PolarHBondContact O-N 3Å; L22-S54 WeakPolarHBondContact CD1-OG 3.42Å; L22-F56 HydrophobicContact CD1-CE2 3.87Å; L22-F56 HydrophobicContact CD1-CZ 4.29Å; L22-I136 HydrophobicContact CD1-CB 4.44Å; L22-I136 HydrophobicContact CD1-CD1 3.83Å; L22-I136 HydrophobicContact CD1-CG2 4.25Å; L22-V291 HydrophobicContact CB-CG1 4.22Å; L22-V291 HydrophobicContact CD1-CG1 4.19Å; L22-V291 HydrophobicContact CD2-CG1 4.4Å; L22-A292 WeakPolarHBondContact CA-O 3.3Å; L22-F293 HydrophobicContact CD2-CD1 3.24Å; L22-F293 HydrophobicContact CD2-CE1 3.39Å; L22-F293 HydrophobicContact CD2-CG 4.03Å; L22-F293 HydrophobicContact CD2-CZ 4.26Å
23R98.5Very high98.3Very high46 Ų4637.1 Ų37.117%0.17420%0.202CC..EExtended strand (participates in β ladder)trans-113.8149.6158.4-63.8-178.4-62.5135.82.5108.1G17 C18 D264 L266 V291 A292G17-R23 CarbonylContact O-C 3.56Å; G17-R23 WeakPolarHBondContact O-CA 3.36Å; C18-R23 HydrophobicContact CB-CG 4.17Å; R23-D264 PolarHBondContact NH1-O 3Å; R23-D264 IonicContact NH1-OD1 2.85Å; R23-D264 PolarHBondContact NH1-OD1 2.79Å; R23-L266 HydrophobicContact CB-CD1 3.84Å; R23-V291 CarbonylContact O-C 3.46Å; R23-V291 WeakPolarHBondContact O-CA 3.18Å; R23-A292 PolarHBondContact N-O 3.08Å; R23-A292 PolarHBondContact O-N 3.48Å
24Y98.8Very high98.2Very high23 Ų2336.3 Ų36.39%0.0921%0.205CC..EExtended strand (participates in β ladder)trans-137.5156.1171.974.1-87.6000111.9E15 T16 G17 I26 A42 T44 F56 L290E15-Y24 HydrophobicContact CG-CE2 3.98Å; E15-Y24 WeakPolarHBondContact OE1-CE2 3.5Å; E15-Y24 PolarHBondContact OE1-OH 3.22Å; T16-Y24 WeakPolarHBondContact CA-O 3.45Å; G17-Y24 VanDerWaalsContact C-CD1 3.47Å; G17-Y24 VanDerWaalsContact C-CE1 3.42Å; G17-Y24 PolarHBondContact N-O 3.09Å; G17-Y24 VanDerWaalsContact N-O 3.17Å; G17-Y24 VanDerWaalsContact O-CD1 3.31Å; G17-Y24 WeakPolarHBondContact O-CD1 3.4Å; G17-Y24 PolarHBondContact O-N 3.04Å; Y24-I26 HydrophobicContact CD2-CD1 4.2Å; Y24-I26 HydrophobicContact CD2-CG1 3.84Å; Y24-I26 HydrophobicContact CE2-CD1 3.98Å; Y24-I26 HydrophobicContact CE2-CG1 4.02Å; Y24-A42 HydrophobicContact CD2-CB 3.79Å; Y24-A42 HydrophobicContact CE1-CB 4.33Å; Y24-A42 HydrophobicContact CE2-CB 3.4Å; Y24-A42 VanDerWaalsContact CE2-CB 3.4Å; Y24-A42 HydrophobicContact CG-CB 4.4Å; Y24-T44 HydrophobicContact CD1-CG2 3.67Å; Y24-T44 HydrophobicContact CE1-CG2 3.54Å; Y24-F56 AromaticContact CD1-CE1 3.71Å; Y24-F56 HydrophobicContact CD1-CE1 3.71Å; Y24-F56 HydrophobicContact CD1-CZ 4.22Å; Y24-F56 HydrophobicContact CD2-CE1 4.25Å; Y24-F56 HydrophobicContact CE1-CE1 4.39Å; Y24-F56 HydrophobicContact CG-CD1 4.45Å; Y24-F56 AromaticContact CG-CE1 3.61Å; Y24-F56 HydrophobicContact CG-CE1 3.61Å; Y24-F56 HydrophobicContact CG-CZ 4.4Å; Y24-L290 CarbonylContact C-O 3.48Å; Y24-L290 WeakPolarHBondContact CA-O 3.42Å; Y24-L290 WeakPolarHBondContact CB-O 3.42Å
25G98.8Very high98.1Very high0 Ų035.7 Ų35.70%021%0.206CC..EExtended strand (participates in β ladder)trans-135.4142.9167.500000109.6E15 L290E15-G25 CarbonylContact O-C 3.57Å; E15-G25 WeakPolarHBondContact O-CA 3.35Å; G25-L290 PolarHBondContact N-O 3.26Å; G25-L290 PolarHBondContact O-N 3.48Å
26I98.8Very high98.1Very high0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-124.6141.2176.1-48.2-177.2000107.6N14 E15 Y24 A42 S267 M288 V289N14-I26 WeakPolarHBondContact CA-O 3.34Å; E15-I26 HydrophobicContact CB-CB 4.09Å; E15-I26 HydrophobicContact CB-CD1 4.11Å; E15-I26 HydrophobicContact CB-CG1 4.21Å; E15-I26 HydrophobicContact CG-CD1 4.5Å; E15-I26 PolarHBondContact N-O 3.16Å; E15-I26 PolarHBondContact O-N 3.45Å; Y24-I26 HydrophobicContact CD2-CD1 4.2Å; Y24-I26 HydrophobicContact CD2-CG1 3.84Å; Y24-I26 HydrophobicContact CE2-CD1 3.98Å; Y24-I26 HydrophobicContact CE2-CG1 4.02Å; I26-A42 HydrophobicContact CD1-CB 3.64Å; I26-S267 WeakPolarHBondContact O-CB 3.21Å; I26-M288 WeakPolarHBondContact CA-O 3.01Å; I26-V289 HydrophobicContact CD1-CG2 4.19Å; I26-V289 HydrophobicContact CG1-CG1 4.29Å; I26-V289 HydrophobicContact CG1-CG2 4.05Å; I26-V289 HydrophobicContact CG2-CG2 4.08Å
27S98.8Very high98.1Very high0 Ų034 Ų340%019%0.194CC..EExtended strand (participates in β ladder)trans-136.7145.3159.8-176.20000110.6Y13 C270 N271 I274 M288Y13-S27 VanDerWaalsContact O-CA 3.28Å; Y13-S27 WeakPolarHBondContact O-CA 3.48Å; S27-C270 VanDerWaalsContact CB-CB 3.48Å; S27-N271 VanDerWaalsContact CB-OD1 3.23Å; S27-N271 WeakPolarHBondContact CB-OD1 3.37Å; S27-N271 PolarHBondContact OG-OD1 3.43Å; S27-I274 WeakPolarHBondContact OG-CD1 3.29Å; S27-M288 PolarHBondContact N-O 3.07Å; S27-M288 PolarHBondContact O-N 3.45Å
28S98.7Very high98.1Very high10 Ų1033.2 Ų33.27%0.0718%0.183CC..EExtended strand (participates in β ladder)trans-141.3145.5169.869.30000112.7K12 Y13 M286 S287K12-S28 CarbonylContact C-O 3.58Å; K12-S28 VanDerWaalsContact CA-O 3.23Å; K12-S28 WeakPolarHBondContact CA-O 3.25Å; Y13-S28 PolarHBondContact N-O 3.19Å; Y13-S28 PolarHBondContact O-N 3.07Å; Y13-S28 VanDerWaalsContact O-N 3.07Å; S28-M286 CarbonylContact C-O 3.52Å; S28-M286 WeakPolarHBondContact CA-O 3.49Å; S28-S287 VanDerWaalsContact CB-OG 3.31Å; S28-S287 WeakPolarHBondContact CB-OG 3.24Å
29M98.7Very high98.2Very high1 Ų129.8 Ų29.81%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-143.5134.4-174.7-171.5179.774.200110.6K9 T10 K12 G31 I274 L278 M286K9-M29 WeakPolarHBondContact O-CG 3.44Å; T10-M29 HydrophobicContact CG2-SD 4.28Å; K12-M29 HydrophobicContact CG-CB 4.14Å; K12-M29 HydrophobicContact CG-CG 4.2Å; K12-M29 HydrophobicContact CG-SD 4.28Å; M29-G31 PolarHBondContact O-N 2.91Å; M29-I274 HydrophobicContact CB-CG2 3.75Å; M29-I274 HydrophobicContact CE-CG2 3.42Å; M29-I274 VanDerWaalsContact CE-CG2 3.42Å; M29-I274 HydrophobicContact CG-CG2 4.34Å; M29-I274 HydrophobicContact SD-CG2 3.68Å; M29-L278 HydrophobicContact CE-CB 4.03Å; M29-L278 HydrophobicContact CE-CD1 4.07Å; M29-L278 HydrophobicContact CE-CD2 3.95Å; M29-L278 HydrophobicContact CE-CG 4.24Å; M29-M286 HydrophobicContact CE-CE 3.23Å; M29-M286 HydrophobicContact CE-SD 4.09Å; M29-M286 PolarHBondContact N-O 3.29Å; M29-M286 PolarHBondContact O-N 3.17Å
30Q98.6Very high98.2Very high27 Ų2730.5 Ų30.513%0.12616%0.159CC..EExtended strand (participates in β ladder)trans-66.1-37.6179.7-179.6177.6-38.600112.3K9 R33 L34 M36 N285K9-Q30 HydrophobicContact CB-CB 4.18Å; Q30-R33 PolarHBondContact NE2-O 2.88Å; Q30-L34 VanDerWaalsContact NE2-C 3.28Å; Q30-L34 PolarHBondContact NE2-O 3.28Å; Q30-M36 HydrophobicContact CB-CB 4.22Å; Q30-M36 HydrophobicContact CB-SD 4.31Å; Q30-M36 HydrophobicContact CG-CB 4.25Å; Q30-N285 PolarHBondContact O-ND2 3.34Å
31G97.9Very high98.2Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans65.6-135.6-179.600000112P8 K9 M29P8-G31 CarbonylContact C-O 3.23Å; P8-G31 VanDerWaalsContact CA-O 3.26Å; P8-G31 WeakPolarHBondContact CA-O 3.09Å; K9-G31 PolarHBondContact N-O 3.46Å; K9-G31 PolarHBondContact O-N 3.41Å; M29-G31 PolarHBondContact O-N 2.91Å
32W97.8Very high98.3Very high82 Ų8228 Ų2831%0.31114%0.139SC..EExtended strand (participates in β ladder)trans-88.1-10.1-173.1-6791.7000114.5L4 L5 P8L4-W32 CarbonylContact C-O 3.6Å; L4-W32 WeakPolarHBondContact CA-O 3.4Å; L4-W32 HydrophobicContact CD2-CB 4.06Å; L5-W32 PolarHBondContact N-O 3.43Å; P8-W32 HydrophobicContact CB-CD2 3.88Å; P8-W32 HydrophobicContact CB-CE3 4.45Å; P8-W32 HydrophobicContact CB-CG 4.04Å; P8-W32 HydrophobicContact CB-CZ2 4.38Å; P8-W32 HydrophobicContact CG-CD2 4.27Å; P8-W32 HydrophobicContact CG-CH2 4.36Å; P8-W32 HydrophobicContact CG-CZ2 3.87Å
33R97.6Very high98.3Very high59 Ų5930.4 Ų30.422%0.22315%0.151CC..EExtended strand (participates in β ladder)trans-68.6156.1179-62.8-58.9-163.6148.32.8111.8L5 Q30 S35 D284 N285L5-R33 WeakPolarHBondContact CD1-O 3.33Å; L5-R33 WeakPolarHBondContact CG-O 3.39Å; Q30-R33 PolarHBondContact NE2-O 2.88Å; R33-S35 WeakPolarHBondContact CB-O 3.48Å; R33-D284 WeakPolarHBondContact CG-OD1 3.3Å; R33-D284 IonicContact CZ-OD1 2.74Å; R33-D284 IonicContact CZ-OD2 3.72Å; R33-D284 VanDerWaalsContact NE-CG 3.31Å; R33-D284 IonicContact NE-OD1 3.95Å; R33-D284 PolarHBondContact NE-OD1 2.94Å; R33-D284 IonicContact NE-OD2 3.56Å; R33-D284 PolarHBondContact NE-OD2 3.05Å; R33-D284 VanDerWaalsContact NH2-CG 3.34Å; R33-D284 IonicContact NH2-OD1 4Å; R33-D284 PolarHBondContact NH2-OD1 2.94Å; R33-D284 IonicContact NH2-OD2 3.26Å; R33-D284 PolarHBondContact NH2-OD2 3.19Å; R33-N285 WeakPolarHBondContact CB-ND2 3.34Å
34L97Very high98.3Very high102 Ų10229.4 Ų29.453%0.53415%0.15SC..SBendtrans-66.3-38.1178.3-63.2177.2000112.7G3 L5 Q30G3-L34 WeakPolarHBondContact O-CG 3.3Å; L5-L34 HydrophobicContact CD2-CD2 3.82Å; L5-L34 HydrophobicContact CG-CD2 4.31Å; Q30-L34 VanDerWaalsContact NE2-C 3.28Å; Q30-L34 PolarHBondContact NE2-O 3.28Å
35S97.4Very high98.2Very high51 Ų5133.8 Ų33.836%0.35717%0.171SC..SBendtrans-122.8158.7179.736.40000110.5R33 E37 N285R33-S35 WeakPolarHBondContact CB-O 3.48Å; S35-E37 WeakPolarHBondContact OG-CG 3.35Å; S35-E37 PolarHBondContact OG-OE1 3.28Å; S35-N285 PolarHBondContact O-ND2 2.95Å; S35-N285 PolarHBondContact O-OD1 3.4Å
36M98.2Very high98.1Very high55 Ų5534 Ų3427%0.27117%0.172SC..  trans-91.3112.8162-17863.5174.100107Q30 D38 N285Q30-M36 HydrophobicContact CB-CB 4.22Å; Q30-M36 HydrophobicContact CB-SD 4.31Å; Q30-M36 HydrophobicContact CG-CB 4.25Å; M36-D38 HydrophobicContact CE-CB 3.67Å; M36-D38 HydrophobicContact SD-CB 4.38Å; M36-N285 HydrophobicContact SD-CB 3.97Å
37E98.4Very high97.7Very high38 Ų3838.2 Ų38.218%0.17820%0.2CC..  trans-110.5-14.2-178.4-55.7-171.4139.800111.7S35 G61 H62 A63 G64 S68 N285S35-E37 WeakPolarHBondContact OG-CG 3.35Å; S35-E37 PolarHBondContact OG-OE1 3.28Å; E37-G61 VanDerWaalsContact CB-O 3.27Å; E37-G61 WeakPolarHBondContact CB-O 3.38Å; E37-G61 WeakPolarHBondContact O-CA 3.24Å; E37-G61 PolarHBondContact O-N 3.44Å; E37-H62 WeakPolarHBondContact OE2-CA 3.34Å; E37-A63 PolarHBondContact OE2-N 3.48Å; E37-G64 WeakPolarHBondContact OE1-CA 3.35Å; E37-G64 PolarHBondContact OE1-N 3.26Å; E37-S68 VanDerWaalsContact O-CB 3.3Å; E37-S68 WeakPolarHBondContact O-CB 3.34Å; E37-S68 PolarHBondContact O-OG 3.5Å; E37-N285 PolarHBondContact N-OD1 2.9Å
38D98.8Very high97.2Very high9 Ų941.4 Ų41.45%0.04823%0.232CC..  trans-68.6150.6172.8-64.10.5000112.5M36 F59 C240 N285 S287M36-D38 HydrophobicContact CE-CB 3.67Å; M36-D38 HydrophobicContact SD-CB 4.38Å; D38-F59 CarbonylContact C-O 3.32Å; D38-F59 WeakPolarHBondContact CA-O 3.3Å; D38-C240 PolarHBondContact OD2-SG 2.86Å; D38-N285 HydrophobicContact CB-CB 4.49Å; D38-S287 WeakPolarHBondContact CB-OG 3.29Å; D38-S287 VanDerWaalsContact OD2-CB 3.27Å; D38-S287 WeakPolarHBondContact OD2-CB 3.42Å; D38-S287 PolarHBondContact OD2-N 2.96Å; D38-S287 PolarHBondContact OD2-OG 3.17Å
39S98.8Very high96.8Very high17 Ų1745.4 Ų45.412%0.11925%0.253CS..EExtended strand (participates in β ladder)trans-138.9166.7167.6-70.40000110.6F59 S68 E69S39-F59 PolarHBondContact N-O 3.13Å; S39-F59 PolarHBondContact O-N 3.03Å; S39-S68 WeakPolarHBondContact CB-O 3.45Å; S39-E69 PolarHBondContact OG-N 3.02Å
40H98.7Very high96.7Very high34 Ų3445.8 Ų45.816%0.15726%0.255CS..EExtended strand (participates in β ladder)trans-150.8165.7-179.353.6-95.4000111.1Y13 A57 V289Y13-H40 AromaticContact CD1-CE1 3.52Å; Y13-H40 AromaticContact CD1-NE2 3.55Å; Y13-H40 AromaticContact CE1-CE1 3.63Å; Y13-H40 AromaticContact CE1-NE2 3.14Å; Y13-H40 WeakPolarHBondContact CE1-NE2 3.45Å; H40-A57 CarbonylContact C-O 3.58Å; H40-A57 VanDerWaalsContact CA-O 3.25Å; H40-A57 WeakPolarHBondContact CA-O 3.39Å; H40-A57 WeakPolarHBondContact CB-O 3.49Å; H40-V289 HydrophobicContact CB-CG2 4.29Å
41C97.7Very high96.5Very high15 Ų1550.1 Ų50.110%0.10127%0.274CS..EExtended strand (participates in β ladder)trans-143138.1177-173.10000109.9F55 F56 A57 F59C41-F55 HydrophobicContact CB-CD1 4.35Å; C41-F55 HydrophobicContact CB-CE1 4.07Å; C41-F56 CarbonylContact O-C 3.41Å; C41-F56 VanDerWaalsContact O-CA 3.29Å; C41-F56 WeakPolarHBondContact O-CA 3.31Å; C41-A57 HydrophobicContact CB-CB 4.25Å; C41-A57 PolarHBondContact N-O 3.33Å; C41-A57 PolarHBondContact O-N 2.71Å; C41-F59 HydrophobicContact CB-CE2 4.23Å
42A98.5Very high96.4Very high16 Ų1653.7 Ų53.713%0.13229%0.292CS..EExtended strand (participates in β ladder)trans-138.4117.1170.300000110.5Y24 I26 F56Y24-A42 HydrophobicContact CD2-CB 3.79Å; Y24-A42 HydrophobicContact CE1-CB 4.33Å; Y24-A42 HydrophobicContact CE2-CB 3.4Å; Y24-A42 VanDerWaalsContact CE2-CB 3.4Å; Y24-A42 HydrophobicContact CG-CB 4.4Å; I26-A42 HydrophobicContact CD1-CB 3.64Å; A42-F56 HydrophobicContact CB-CD1 3.59Å; A42-F56 HydrophobicContact CB-CE1 3.8Å
43I98.4Very high96.4Very high53 Ų5350.5 Ų50.527%0.27228%0.28SS..EExtended strand (participates in β ladder)trans-132.9108.7-178.7-65.9171.5000107Q45 L46 S54 F55 L76I43-Q45 VanDerWaalsContact CG2-O 3.3Å; I43-Q45 WeakPolarHBondContact CG2-O 3.48Å; I43-L46 HydrophobicContact CG2-CD1 4.18Å; I43-S54 CarbonylContact O-C 3.56Å; I43-S54 WeakPolarHBondContact O-CA 3.39Å; I43-S54 WeakPolarHBondContact O-CB 3.48Å; I43-F55 HydrophobicContact CB-CB 4.46Å; I43-F55 PolarHBondContact N-O 2.86Å; I43-F55 PolarHBondContact O-N 3.46Å; I43-L76 HydrophobicContact CB-CD2 4.45Å; I43-L76 HydrophobicContact CD1-CD2 3.32Å; I43-L76 HydrophobicContact CG1-CD2 4.44Å; I43-L76 HydrophobicContact CG2-CD2 4.41Å
44T98.1Very high96.4Very high25 Ų2547.7 Ų47.715%0.15327%0.27CS..SBendtrans-79.5-23.5-177.454.70000112.6C18 N20 Y24 W53 S54 F56C18-T44 PolarHBondContact O-OG1 3.1Å; N20-T44 PolarHBondContact ND2-O 3.29Å; Y24-T44 HydrophobicContact CD1-CG2 3.67Å; Y24-T44 HydrophobicContact CE1-CG2 3.54Å; T44-W53 VanDerWaalsContact O-O 3.09Å; T44-S54 WeakPolarHBondContact O-CB 3.3Å; T44-S54 PolarHBondContact O-OG 3.48Å; T44-F56 HydrophobicContact CG2-CE1 4.49Å; T44-F56 HydrophobicContact CG2-CZ 4.11Å
45Q97.7Very high96.5Very high115 Ų11543 Ų4354%0.53725%0.245SC..SBendtrans-135115.4178-60.1-170.1-56.700110.2I43 K51 W53I43-Q45 VanDerWaalsContact CG2-O 3.3Å; I43-Q45 WeakPolarHBondContact CG2-O 3.48Å; Q45-K51 WeakPolarHBondContact CB-O 3.38Å; Q45-W53 WeakPolarHBondContact CA-O 3.46Å
46L96.2Very high96.6Very high4 Ų440.5 Ų40.52%0.02123%0.228CC..  trans-72.9155.1175.8-84.365.5000111I43 L50 K51 W53 F55 L76 V80I43-L46 HydrophobicContact CG2-CD1 4.18Å; L46-L50 HydrophobicContact CB-CB 3.62Å; L46-L50 WeakPolarHBondContact CB-O 3.42Å; L46-L50 HydrophobicContact CD2-CB 4.15Å; L46-L50 HydrophobicContact CD2-CD1 4.13Å; L46-L50 CarbonylContact O-C 3.58Å; L46-K51 WeakPolarHBondContact O-CA 3.27Å; L46-K51 PolarHBondContact O-N 3.37Å; L46-W53 HydrophobicContact CB-CB 4.39Å; L46-W53 HydrophobicContact CD1-CB 4.03Å; L46-W53 VanDerWaalsContact CD1-O 3.25Å; L46-W53 WeakPolarHBondContact CD1-O 3.16Å; L46-W53 HydrophobicContact CD2-CB 4.06Å; L46-W53 HydrophobicContact CG-CB 4.39Å; L46-W53 PolarHBondContact N-O 2.92Å; L46-W53 VanDerWaalsContact N-O 3.11Å; L46-F55 HydrophobicContact CD1-CB 3.95Å; L46-L76 HydrophobicContact CD2-CD1 3.85Å; L46-L76 HydrophobicContact CG-CD1 4.2Å; L46-L76 HydrophobicContact CG-CD2 4.21Å; L46-V80 HydrophobicContact CD2-CG1 3.98Å
47P89.3Confident96.6Very high90 Ų9037.9 Ų37.958%0.58422%0.215SC*.SBendtrans-68.6159.9179.528.2-35.1000113N49 L50P47-N49 PolarHBondContact O-N 3.44Å; P47-L50 PolarHBondContact O-N 3.2Å
48G89.7Confident96.7Very high66 Ų6636.1 Ų36.168%0.6821%0.207SC*.G310 helixtrans65-131.6171.500000113.8L50G48-L50 PolarHBondContact O-N 3.4Å; G48-L50 VanDerWaalsContact O-N 3.14Å
49N90.6Very high96.7Very high95 Ų9535.7 Ų35.751%0.50820%0.204SC..G310 helixtrans-69.8-4.4-177.2-76.7-1.2000114.1P47 I88 P90P47-N49 PolarHBondContact O-N 3.44Å; N49-I88 PolarHBondContact ND2-O 3.09Å; N49-P90 HydrophobicContact CB-CG 4.39Å
50L94.9Very high96.7Very high8 Ų835.4 Ų35.44%0.04220%0.202CC..G310 helixtrans-108.116.9-173.3-56.8171.4000112.5L46 P47 G48 D52 W53 V80 F85 I88L46-L50 HydrophobicContact CB-CB 3.62Å; L46-L50 WeakPolarHBondContact CB-O 3.42Å; L46-L50 HydrophobicContact CD2-CB 4.15Å; L46-L50 HydrophobicContact CD2-CD1 4.13Å; L46-L50 CarbonylContact O-C 3.58Å; P47-L50 PolarHBondContact O-N 3.2Å; G48-L50 PolarHBondContact O-N 3.4Å; G48-L50 VanDerWaalsContact O-N 3.14Å; L50-D52 PolarHBondContact O-N 3.45Å; L50-W53 HydrophobicContact CB-CB 4.36Å; L50-W53 HydrophobicContact CB-CG 4.15Å; L50-W53 HydrophobicContact CD2-CD2 4.04Å; L50-W53 HydrophobicContact CD2-CG 4.33Å; L50-W53 HydrophobicContact CD2-CZ2 4.16Å; L50-W53 WeakPolarHBondContact O-CA 3.41Å; L50-W53 WeakPolarHBondContact O-CB 3.34Å; L50-W53 PolarHBondContact O-N 3.14Å; L50-V80 HydrophobicContact CD1-CB 4.34Å; L50-V80 HydrophobicContact CD1-CG1 3.91Å; L50-F85 HydrophobicContact CD1-CD1 3.72Å; L50-F85 HydrophobicContact CD1-CE1 4.44Å; L50-I88 HydrophobicContact CD2-CB 4.06Å; L50-I88 HydrophobicContact CD2-CD1 4.03Å; L50-I88 HydrophobicContact CD2-CG2 3.78Å
51K95.6Very high96.7Very high119 Ų11934 Ų3452%0.51720%0.196SC..THydrogen-bonded Turntrans-51.4-28.5-17769.7-179.4-176.41790115.6N20 Q45 L46 W53N20-K51 PolarHBondContact ND2-O 3.48Å; N20-K51 PolarHBondContact OD1-O 3.41Å; Q45-K51 WeakPolarHBondContact CB-O 3.38Å; L46-K51 WeakPolarHBondContact O-CA 3.27Å; L46-K51 PolarHBondContact O-N 3.37Å; K51-W53 VanDerWaalsContact C-N 3.26Å; K51-W53 PolarHBondContact O-N 3.19Å
52D95.4Very high96.7Very high74 Ų7435 Ų3540%0.39620%0.199SC..THydrogen-bonded Turntrans-90.211.2179.5-57.8-47.8000112.8N20 L50 P138N20-D52 VanDerWaalsContact ND2-CA 3.33Å; N20-D52 WeakPolarHBondContact ND2-CA 3.44Å; L50-D52 PolarHBondContact O-N 3.45Å; D52-P138 HydrophobicContact CB-CG 4.01Å; D52-P138 WeakPolarHBondContact O-CD 3.45Å
53W97.4Very high96.6Very high15 Ų1537.5 Ų37.56%0.05722%0.22CC..  trans-106.7152175.2-61.547.3000109.4N20 T44 Q45 L46 L50 K51 F85 I88 P94 V99 L135 I136 T137N20-W53 PolarHBondContact ND2-N 2.9Å; N20-W53 PolarHBondContact ND2-O 3.4Å; N20-W53 VanDerWaalsContact ND2-O 3.16Å; T44-W53 VanDerWaalsContact O-O 3.09Å; Q45-W53 WeakPolarHBondContact CA-O 3.46Å; L46-W53 HydrophobicContact CB-CB 4.39Å; L46-W53 HydrophobicContact CD1-CB 4.03Å; L46-W53 VanDerWaalsContact CD1-O 3.25Å; L46-W53 WeakPolarHBondContact CD1-O 3.16Å; L46-W53 HydrophobicContact CD2-CB 4.06Å; L46-W53 HydrophobicContact CG-CB 4.39Å; L46-W53 PolarHBondContact N-O 2.92Å; L46-W53 VanDerWaalsContact N-O 3.11Å; L50-W53 HydrophobicContact CB-CB 4.36Å; L50-W53 HydrophobicContact CB-CG 4.15Å; L50-W53 HydrophobicContact CD2-CD2 4.04Å; L50-W53 HydrophobicContact CD2-CG 4.33Å; L50-W53 HydrophobicContact CD2-CZ2 4.16Å; L50-W53 WeakPolarHBondContact O-CA 3.41Å; L50-W53 WeakPolarHBondContact O-CB 3.34Å; L50-W53 PolarHBondContact O-N 3.14Å; K51-W53 VanDerWaalsContact C-N 3.26Å; K51-W53 PolarHBondContact O-N 3.19Å; W53-F85 HydrophobicContact CE3-CE1 4.33Å; W53-F85 AromaticContact CZ3-CE1 3.87Å; W53-F85 HydrophobicContact CZ3-CE1 3.87Å; W53-F85 HydrophobicContact CZ3-CZ 4.38Å; W53-I88 HydrophobicContact CH2-CD1 3.85Å; W53-I88 HydrophobicContact CZ2-CD1 4.09Å; W53-I88 HydrophobicContact CZ2-CG2 4.3Å; W53-P94 HydrophobicContact CH2-CG 4.06Å; W53-P94 HydrophobicContact CZ2-CG 3.91Å; W53-V99 HydrophobicContact CH2-CG1 4.16Å; W53-V99 HydrophobicContact CH2-CG2 3.91Å; W53-V99 HydrophobicContact CZ3-CG1 4.03Å; W53-L135 HydrophobicContact CE3-CD2 4.11Å; W53-L135 HydrophobicContact CZ3-CD2 4.25Å; W53-I136 CarbonylContact C-O 3.52Å; W53-I136 VanDerWaalsContact CA-O 3.24Å; W53-I136 WeakPolarHBondContact CA-O 3.31Å; W53-T137 HydrophobicContact CD2-CG2 3.6Å; W53-T137 HydrophobicContact CE3-CG2 3.43Å; W53-T137 VanDerWaalsContact CE3-CG2 3.43Å; W53-T137 HydrophobicContact CG-CG2 4.43Å; W53-T137 HydrophobicContact CH2-CG2 3.52Å; W53-T137 HydrophobicContact CZ2-CG2 3.71Å; W53-T137 HydrophobicContact CZ3-CG2 3.38Å
54S98.6Very high96.5Very high1 Ų135.9 Ų35.91%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-126.6152172.9-48.40000110.6L22 I43 T44 L135 I136L22-S54 WeakPolarHBondContact CD1-OG 3.42Å; I43-S54 CarbonylContact O-C 3.56Å; I43-S54 WeakPolarHBondContact O-CA 3.39Å; I43-S54 WeakPolarHBondContact O-CB 3.48Å; T44-S54 WeakPolarHBondContact O-CB 3.3Å; T44-S54 PolarHBondContact O-OG 3.48Å; S54-L135 CarbonylContact O-C 3.55Å; S54-L135 WeakPolarHBondContact O-CA 3.3Å; S54-I136 PolarHBondContact N-O 2.85Å; S54-I136 PolarHBondContact O-N 2.81Å
55F98.8Very high96.5Very high2 Ų235.6 Ų35.61%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-130.9129.3177178.5-101.3000109.7C41 I43 L46 A57 L75 L76 I79 C133 V134 L135C41-F55 HydrophobicContact CB-CD1 4.35Å; C41-F55 HydrophobicContact CB-CE1 4.07Å; I43-F55 HydrophobicContact CB-CB 4.46Å; I43-F55 PolarHBondContact N-O 2.86Å; I43-F55 PolarHBondContact O-N 3.46Å; L46-F55 HydrophobicContact CD1-CB 3.95Å; F55-A57 HydrophobicContact CE1-CB 3.74Å; F55-A57 HydrophobicContact CZ-CB 3.79Å; F55-L75 HydrophobicContact CZ-CD2 4.4Å; F55-L76 HydrophobicContact CB-CD1 4.01Å; F55-L76 HydrophobicContact CB-CD2 4.14Å; F55-L76 HydrophobicContact CD1-CB 4.03Å; F55-L76 HydrophobicContact CD1-CD1 4.32Å; F55-L76 HydrophobicContact CD1-CD2 4.17Å; F55-L76 HydrophobicContact CD1-CG 4.4Å; F55-L76 HydrophobicContact CD2-CD1 4.01Å; F55-L76 HydrophobicContact CE1-CB 4.02Å; F55-L76 HydrophobicContact CG-CB 4.42Å; F55-L76 HydrophobicContact CG-CD1 3.86Å; F55-L76 HydrophobicContact CG-CD2 4.27Å; F55-L76 HydrophobicContact CG-CG 4.41Å; F55-L76 HydrophobicContact CZ-CB 4.39Å; F55-I79 HydrophobicContact CE2-CD1 4.35Å; F55-C133 HydrophobicContact CD2-CB 4.46Å; F55-C133 HydrophobicContact CE2-CB 3.54Å; F55-C133 HydrophobicContact CZ-CB 3.67Å; F55-V134 WeakPolarHBondContact CA-O 3.43Å; F55-L135 HydrophobicContact CD2-CD1 3.62Å; F55-L135 HydrophobicContact CD2-CG 3.86Å; F55-L135 HydrophobicContact CE2-CD1 3.85Å
56F98.9Very high96.6Very high0 Ų032 Ų320%020%0.2CC..EExtended strand (participates in β ladder)trans-133140.5173.8-58-87.5000109.2L22 Y24 C41 A42 T44 C133 V134 I136 L238 V289 V291L22-F56 HydrophobicContact CD1-CE2 3.87Å; L22-F56 HydrophobicContact CD1-CZ 4.29Å; Y24-F56 AromaticContact CD1-CE1 3.71Å; Y24-F56 HydrophobicContact CD1-CE1 3.71Å; Y24-F56 HydrophobicContact CD1-CZ 4.22Å; Y24-F56 HydrophobicContact CD2-CE1 4.25Å; Y24-F56 HydrophobicContact CE1-CE1 4.39Å; Y24-F56 HydrophobicContact CG-CD1 4.45Å; Y24-F56 AromaticContact CG-CE1 3.61Å; Y24-F56 HydrophobicContact CG-CE1 3.61Å; Y24-F56 HydrophobicContact CG-CZ 4.4Å; C41-F56 CarbonylContact O-C 3.41Å; C41-F56 VanDerWaalsContact O-CA 3.29Å; C41-F56 WeakPolarHBondContact O-CA 3.31Å; A42-F56 HydrophobicContact CB-CD1 3.59Å; A42-F56 HydrophobicContact CB-CE1 3.8Å; T44-F56 HydrophobicContact CG2-CE1 4.49Å; T44-F56 HydrophobicContact CG2-CZ 4.11Å; F56-C133 CarbonylContact O-C 3.47Å; F56-C133 WeakPolarHBondContact O-CA 3.41Å; F56-C133 WeakPolarHBondContact O-CB 3.43Å; F56-V134 HydrophobicContact CB-CG2 3.79Å; F56-V134 HydrophobicContact CD2-CG2 4.09Å; F56-V134 HydrophobicContact CG-CG2 4.44Å; F56-V134 PolarHBondContact N-O 3.29Å; F56-V134 PolarHBondContact O-N 2.89Å; F56-I136 HydrophobicContact CD2-CD1 4.01Å; F56-I136 HydrophobicContact CE2-CD1 3.96Å; F56-L238 HydrophobicContact CB-CD1 4.05Å; F56-V289 HydrophobicContact CB-CG1 4.14Å; F56-V289 HydrophobicContact CD1-CG1 3.97Å; F56-V289 HydrophobicContact CG-CG1 4.39Å; F56-V291 HydrophobicContact CB-CG2 4.3Å; F56-V291 HydrophobicContact CD1-CG2 3.79Å; F56-V291 HydrophobicContact CD2-CG1 4.45Å; F56-V291 HydrophobicContact CD2-CG2 3.75Å; F56-V291 HydrophobicContact CE1-CG2 3.98Å; F56-V291 HydrophobicContact CE2-CG1 3.95Å; F56-V291 HydrophobicContact CE2-CG2 3.93Å; F56-V291 HydrophobicContact CG-CG2 3.67Å; F56-V291 HydrophobicContact CZ-CG1 4.12Å; F56-V291 HydrophobicContact CZ-CG2 4.04Å
57A98.9Very high96.7Very high0 Ų031.8 Ų31.80%020%0.199CC..EExtended strand (participates in β ladder)trans-151.2150.5-177.500000113.1H40 C41 F55 F59 V132 C133H40-A57 CarbonylContact C-O 3.58Å; H40-A57 VanDerWaalsContact CA-O 3.25Å; H40-A57 WeakPolarHBondContact CA-O 3.39Å; H40-A57 WeakPolarHBondContact CB-O 3.49Å; C41-A57 HydrophobicContact CB-CB 4.25Å; C41-A57 PolarHBondContact N-O 3.33Å; C41-A57 PolarHBondContact O-N 2.71Å; F55-A57 HydrophobicContact CE1-CB 3.74Å; F55-A57 HydrophobicContact CZ-CB 3.79Å; A57-F59 HydrophobicContact CB-CD2 4.37Å; A57-F59 HydrophobicContact CB-CE1 4.22Å; A57-F59 HydrophobicContact CB-CE2 3.45Å; A57-F59 VanDerWaalsContact CB-CE2 3.45Å; A57-F59 HydrophobicContact CB-CZ 3.38Å; A57-V132 CarbonylContact C-O 3.51Å; A57-V132 VanDerWaalsContact CA-O 3.23Å; A57-V132 WeakPolarHBondContact CA-O 3.31Å; A57-C133 HydrophobicContact CB-CB 3.54Å
58V98.9Very high97.1Very high0 Ų027.5 Ų27.50%017%0.172CC..EExtended strand (participates in β ladder)trans-123.9137.1166.3173.50000108.2V132 L238 C240 V289V58-V132 HydrophobicContact CB-CG1 4.03Å; V58-V132 PolarHBondContact N-O 3.47Å; V58-V132 PolarHBondContact O-N 2.98Å; V58-L238 HydrophobicContact CB-CB 4.47Å; V58-L238 HydrophobicContact CG2-CB 3.9Å; V58-C240 HydrophobicContact CG1-CB 4.19Å; V58-V289 HydrophobicContact CG2-CB 4.32Å; V58-V289 HydrophobicContact CG2-CG2 3.66Å
59F98.9Very high97.6Very high0 Ų029.4 Ų29.40%016%0.163CC..EExtended strand (participates in β ladder)trans-126.6108.9-178.5-56-75.8000107.7D38 S39 C41 A57 C71 A72 L75 S129 T130 A131D38-F59 CarbonylContact C-O 3.32Å; D38-F59 WeakPolarHBondContact CA-O 3.3Å; S39-F59 PolarHBondContact N-O 3.13Å; S39-F59 PolarHBondContact O-N 3.03Å; C41-F59 HydrophobicContact CB-CE2 4.23Å; A57-F59 HydrophobicContact CB-CD2 4.37Å; A57-F59 HydrophobicContact CB-CE1 4.22Å; A57-F59 HydrophobicContact CB-CE2 3.45Å; A57-F59 VanDerWaalsContact CB-CE2 3.45Å; A57-F59 HydrophobicContact CB-CZ 3.38Å; F59-C71 HydrophobicContact CD1-CB 3.34Å; F59-C71 HydrophobicContact CD2-CB 4.36Å; F59-C71 HydrophobicContact CE1-CB 3.48Å; F59-C71 VanDerWaalsContact CE1-CB 3.48Å; F59-C71 HydrophobicContact CE2-CB 4.47Å; F59-C71 HydrophobicContact CG-CB 3.82Å; F59-C71 HydrophobicContact CZ-CB 4.04Å; F59-A72 HydrophobicContact CD2-CB 3.81Å; F59-A72 HydrophobicContact CE2-CB 3.88Å; F59-L75 HydrophobicContact CE1-CD2 3.65Å; F59-L75 HydrophobicContact CZ-CB 4.48Å; F59-L75 HydrophobicContact CZ-CD2 3.93Å; F59-S129 WeakPolarHBondContact CB-OG 3.35Å; F59-T130 WeakPolarHBondContact CA-O 3.43Å; F59-A131 HydrophobicContact CD1-CB 3.62Å; F59-A131 HydrophobicContact CE1-CB 3.64Å
60D98.8Very high98Very high12 Ų1226.8 Ų26.86%0.06415%0.148CC..  trans-93.5107.4178.6-177.6-13.7000108.1S129 T130 S149 C240D60-S129 CarbonylContact O-C 3.5Å; D60-S129 VanDerWaalsContact O-CA 3.29Å; D60-S129 WeakPolarHBondContact O-CA 3.27Å; D60-S129 PolarHBondContact O-OG 3.16Å; D60-T130 HydrophobicContact CB-CG2 3.95Å; D60-T130 VanDerWaalsContact CB-OG1 3.22Å; D60-T130 WeakPolarHBondContact CB-OG1 3.08Å; D60-T130 PolarHBondContact N-OG1 3.1Å; D60-T130 VanDerWaalsContact N-OG1 3.07Å; D60-T130 PolarHBondContact O-N 3.41Å; D60-S149 VanDerWaalsContact CB-OG 3.31Å; D60-S149 WeakPolarHBondContact CB-OG 3.4Å; D60-C240 HydrophobicContact CB-CB 3.84Å; D60-C240 WeakPolarHBondContact OD2-CB 3.42Å
61G98.6Very high98.2Very high3 Ų326.4 Ų26.43%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-89.7150-17400000111.8E37 G128E37-G61 VanDerWaalsContact CB-O 3.27Å; E37-G61 WeakPolarHBondContact CB-O 3.38Å; E37-G61 WeakPolarHBondContact O-CA 3.24Å; E37-G61 PolarHBondContact O-N 3.44Å; G61-G128 WeakPolarHBondContact CA-O 3.45Å
62H97.9Very high98.3Very high38 Ų3821.7 Ų21.718%0.17613%0.13CC..EExtended strand (participates in β ladder)trans-141.1146.3173.656.5-103.3000111.9E37 G64 S127 G128 D201E37-H62 WeakPolarHBondContact OE2-CA 3.34Å; H62-G64 VanDerWaalsContact C-N 3.31Å; H62-G64 PolarHBondContact O-N 3.02Å; H62-S127 WeakPolarHBondContact O-CA 3.28Å; H62-S127 WeakPolarHBondContact O-CB 3.46Å; H62-G128 PolarHBondContact N-O 3.03Å; H62-G128 WeakPolarHBondContact NE2-CA 3.43Å; H62-G128 PolarHBondContact O-N 3.26Å; H62-D201 IonicContact CD2-OD1 3.23Å; H62-D201 IonicContact CE1-OD2 2.99Å; H62-D201 PolarHBondContact CE1-OD2 2.69Å; H62-D201 IonicContact NE2-OD1 3Å; H62-D201 PolarHBondContact NE2-OD1 3.04Å; H62-D201 IonicContact NE2-OD2 3.49Å; H62-D201 PolarHBondContact NE2-OD2 3.38Å
63A96.3Very high98.4Very high68 Ų6822.8 Ų22.856%0.56214%0.139SC*.SBendtrans6137.9179.600000113.3E37 S127E37-A63 PolarHBondContact OE2-N 3.48Å; A63-S127 WeakPolarHBondContact O-CA 3.42Å; A63-S127 PolarHBondContact O-N 3.37Å
64G97.3Very high98.5Very high18 Ų1824.2 Ų24.219%0.18615%0.147CC..SBendtrans121.3157.8-173.500000111.7E37 H62 S127E37-G64 WeakPolarHBondContact OE1-CA 3.35Å; E37-G64 PolarHBondContact OE1-N 3.26Å; H62-G64 VanDerWaalsContact C-N 3.31Å; H62-G64 PolarHBondContact O-N 3.02Å; G64-S127 VanDerWaalsContact O-CB 3.26Å; G64-S127 WeakPolarHBondContact O-CB 3.31Å
65A98.2Very high98.5Very high20 Ų2024.1 Ų24.117%0.16515%0.146CC..SBendtrans-97.8-4.9-179.800000113.5V67 S68 E69A65-V67 PolarHBondContact O-N 3.48Å; A65-S68 PolarHBondContact O-N 3.31Å; A65-S68 PolarHBondContact O-OG 2.74Å; A65-E69 HydrophobicContact CB-CG 4.26Å; A65-E69 WeakPolarHBondContact O-CB 3.43Å; A65-E69 VanDerWaalsContact O-CG 3.28Å; A65-E69 WeakPolarHBondContact O-CG 3.41Å; A65-E69 PolarHBondContact O-N 3.48Å
66L98.6Very high98.5Very high39 Ų3924.9 Ų24.920%0.20415%0.15CC..Hα-helixtrans-58.6-47.4-170.2177.563.4000112.3L70 Q119 L120 D125L66-L70 HydrophobicContact CD1-CD1 3.7Å; L66-L70 HydrophobicContact CD1-CG 4.2Å; L66-L70 HydrophobicContact CG-CD1 3.94Å; L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 WeakPolarHBondContact O-CD1 3.43Å; L66-L70 WeakPolarHBondContact O-CG 3.2Å; L66-L70 PolarHBondContact O-N 2.75Å; L66-Q119 HydrophobicContact CD2-CB 3.97Å; L66-L120 HydrophobicContact CD2-CD1 4.2Å; L66-L120 HydrophobicContact CD2-CD2 4.47Å; L66-L120 HydrophobicContact CD2-CG 4.06Å; L66-D125 WeakPolarHBondContact CB-OD2 3.18Å; L66-D125 HydrophobicContact CD2-CB 3.98Å
67V98.8Very high98.4Very high0 Ų030 Ų300%017%0.172CC..Hα-helixtrans-68.9-41-178.4172.90000111.7A65 L70 C71 L114 L120 S127 L199A65-V67 PolarHBondContact O-N 3.48Å; V67-L70 PolarHBondContact O-N 2.91Å; V67-C71 WeakPolarHBondContact O-CB 3.41Å; V67-C71 PolarHBondContact O-N 3.44Å; V67-C71 PolarHBondContact O-SG 3.39Å; V67-L114 HydrophobicContact CG1-CD1 4.16Å; V67-L120 HydrophobicContact CG2-CD1 3.99Å; V67-L120 HydrophobicContact CG2-CD2 4.02Å; V67-S127 WeakPolarHBondContact CG2-O 3.29Å; V67-S127 WeakPolarHBondContact CG2-OG 3.28Å; V67-S127 PolarHBondContact N-OG 3.01Å; V67-L199 HydrophobicContact CG1-CB 3.96Å
68S98.8Very high98.4Very high0 Ų030.6 Ų30.60%018%0.176CC..Hα-helixtrans-67.2-41.9179.153.80000112E37 S39 A65 L70 C71 A72 S129E37-S68 VanDerWaalsContact O-CB 3.3Å; E37-S68 WeakPolarHBondContact O-CB 3.34Å; E37-S68 PolarHBondContact O-OG 3.5Å; S39-S68 WeakPolarHBondContact CB-O 3.45Å; A65-S68 PolarHBondContact O-N 3.31Å; A65-S68 PolarHBondContact O-OG 2.74Å; S68-L70 PolarHBondContact O-N 2.94Å; S68-C71 WeakPolarHBondContact O-CB 3.26Å; S68-C71 PolarHBondContact O-N 3.43Å; S68-A72 PolarHBondContact O-N 2.85Å; S68-S129 WeakPolarHBondContact CA-OG 3.28Å; S68-S129 VanDerWaalsContact CB-OG 3.32Å; S68-S129 WeakPolarHBondContact CB-OG 3.33Å
69E98.8Very high98.4Very high105 Ų10530.6 Ų30.649%0.49118%0.176SC..Hα-helixtrans-61.4-42.8174.7-74.2177.4-179.300111.8S39 A65 A72 T73S39-E69 PolarHBondContact OG-N 3.02Å; A65-E69 HydrophobicContact CB-CG 4.26Å; A65-E69 WeakPolarHBondContact O-CB 3.43Å; A65-E69 VanDerWaalsContact O-CG 3.28Å; A65-E69 WeakPolarHBondContact O-CG 3.41Å; A65-E69 PolarHBondContact O-N 3.48Å; E69-A72 PolarHBondContact O-N 3.39Å; E69-T73 PolarHBondContact O-N 3.36Å; E69-T73 PolarHBondContact O-OG1 3.21Å
70L98.8Very high98.3Very high40 Ų4031.7 Ų31.721%0.20918%0.183CC..Hα-helixtrans-70-35.8176.5-70.3171.6000111.8L66 V67 S68 A72 T73 E74 L114 L117L66-L70 HydrophobicContact CD1-CD1 3.7Å; L66-L70 HydrophobicContact CD1-CG 4.2Å; L66-L70 HydrophobicContact CG-CD1 3.94Å; L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 WeakPolarHBondContact O-CD1 3.43Å; L66-L70 WeakPolarHBondContact O-CG 3.2Å; L66-L70 PolarHBondContact O-N 2.75Å; V67-L70 PolarHBondContact O-N 2.91Å; S68-L70 PolarHBondContact O-N 2.94Å; L70-A72 VanDerWaalsContact C-N 3.34Å; L70-A72 PolarHBondContact O-N 3.22Å; L70-T73 WeakPolarHBondContact CA-OG1 3.16Å; L70-T73 PolarHBondContact O-N 2.91Å; L70-T73 PolarHBondContact O-OG1 3.26Å; L70-E74 WeakPolarHBondContact O-CB 2.86Å; L70-E74 PolarHBondContact O-N 2.89Å; L70-L114 HydrophobicContact CB-CD2 3.81Å; L70-L114 HydrophobicContact CD1-CD2 3.45Å; L70-L114 VanDerWaalsContact CD1-CD2 3.45Å; L70-L114 HydrophobicContact CG-CD2 4.21Å; L70-L117 HydrophobicContact CD1-CD1 3.36Å
71C98.9Very high98.1Very high1 Ų134.9 Ų34.91%0.00720%0.2CC..Hα-helixtrans-60.8-44.5172.2-69.80000111.4F59 V67 S68 T73 L75 L110F59-C71 HydrophobicContact CD1-CB 3.34Å; F59-C71 HydrophobicContact CD2-CB 4.36Å; F59-C71 HydrophobicContact CE1-CB 3.48Å; F59-C71 VanDerWaalsContact CE1-CB 3.48Å; F59-C71 HydrophobicContact CE2-CB 4.47Å; F59-C71 HydrophobicContact CG-CB 3.82Å; F59-C71 HydrophobicContact CZ-CB 4.04Å; V67-C71 WeakPolarHBondContact O-CB 3.41Å; V67-C71 PolarHBondContact O-N 3.44Å; V67-C71 PolarHBondContact O-SG 3.39Å; S68-C71 WeakPolarHBondContact O-CB 3.26Å; S68-C71 PolarHBondContact O-N 3.43Å; C71-T73 VanDerWaalsContact C-N 3.26Å; C71-T73 PolarHBondContact O-N 2.89Å; C71-L75 WeakPolarHBondContact O-CB 3.4Å; C71-L75 PolarHBondContact O-N 3.02Å; C71-L110 HydrophobicContact CB-CD2 4.42Å
72A98.7Very high98.1Very high20 Ų2035.5 Ų35.517%0.16520%0.203CC..Hα-helixtrans-62.2-31.1178.800000114.1F59 S68 E69 L70F59-A72 HydrophobicContact CD2-CB 3.81Å; F59-A72 HydrophobicContact CE2-CB 3.88Å; S68-A72 PolarHBondContact O-N 2.85Å; E69-A72 PolarHBondContact O-N 3.39Å; L70-A72 VanDerWaalsContact C-N 3.34Å; L70-A72 PolarHBondContact O-N 3.22Å
73T98.2Very high97.9Very high97 Ų9738.6 Ų38.660%0.59522%0.218SC*.Hα-helixtrans-96.1-28-177.150.50000113.7E69 L70 C71E69-T73 PolarHBondContact O-N 3.36Å; E69-T73 PolarHBondContact O-OG1 3.21Å; L70-T73 WeakPolarHBondContact CA-OG1 3.16Å; L70-T73 PolarHBondContact O-N 2.91Å; L70-T73 PolarHBondContact O-OG1 3.26Å; C71-T73 VanDerWaalsContact C-N 3.26Å; C71-T73 PolarHBondContact O-N 2.89Å
74E98.5Very high97.9Very high44 Ų4436.4 Ų36.421%0.20620%0.196CC..Hα-helixtrans-120.3-20.1-166.6-64.4-74141.800115L70 L76 K77 C78 L110 R113L70-E74 WeakPolarHBondContact O-CB 2.86Å; L70-E74 PolarHBondContact O-N 2.89Å; E74-L76 PolarHBondContact O-N 3.34Å; E74-K77 WeakPolarHBondContact O-CB 3.46Å; E74-K77 PolarHBondContact O-N 2.95Å; E74-C78 PolarHBondContact O-N 3.25Å; E74-L110 HydrophobicContact CB-CD1 3.88Å; E74-R113 IonicContact OE2-CZ 3.76Å; E74-R113 VanDerWaalsContact OE2-CZ 3.25Å; E74-R113 IonicContact OE2-NH1 3.54Å; E74-R113 PolarHBondContact OE2-NH1 2.7Å; E74-R113 IonicContact OE2-NH2 2.86Å; E74-R113 PolarHBondContact OE2-NH2 3.31Å
75L98.8Very high97.8Very high0 Ų035.8 Ų35.80%019%0.188CC..Hα-helixtrans-61.9-49.5-174.3177.859.9000112.2F55 F59 C71 K77 C78 I79 F107 L110F55-L75 HydrophobicContact CZ-CD2 4.4Å; F59-L75 HydrophobicContact CE1-CD2 3.65Å; F59-L75 HydrophobicContact CZ-CB 4.48Å; F59-L75 HydrophobicContact CZ-CD2 3.93Å; C71-L75 WeakPolarHBondContact O-CB 3.4Å; C71-L75 PolarHBondContact O-N 3.02Å; L75-K77 PolarHBondContact O-N 2.91Å; L75-C78 WeakPolarHBondContact O-CB 3.38Å; L75-C78 PolarHBondContact O-N 3.25Å; L75-C78 VanDerWaalsContact O-N 3.12Å; L75-I79 HydrophobicContact CD1-CD1 4.17Å; L75-I79 HydrophobicContact CD1-CG1 4.33Å; L75-I79 HydrophobicContact CG-CD1 4Å; L75-I79 WeakPolarHBondContact O-CG1 3.36Å; L75-I79 PolarHBondContact O-N 3.1Å; L75-F107 HydrophobicContact CD1-CD2 3.7Å; L75-F107 HydrophobicContact CD1-CE2 3.96Å; L75-F107 HydrophobicContact CD1-CG 4.03Å; L75-F107 HydrophobicContact CD1-CZ 4.49Å; L75-F107 HydrophobicContact CD2-CD2 4.36Å; L75-F107 HydrophobicContact CD2-CE1 4.27Å; L75-F107 HydrophobicContact CD2-CE2 3.79Å; L75-F107 HydrophobicContact CD2-CZ 3.73Å; L75-F107 HydrophobicContact CG-CE2 4.3Å; L75-L110 HydrophobicContact CB-CD2 3.77Å; L75-L110 HydrophobicContact CD1-CB 4.42Å; L75-L110 HydrophobicContact CD1-CD2 3.89Å; L75-L110 HydrophobicContact CG-CD2 4.4Å
76L98.4Very high97.6Very high18 Ų1840.3 Ų40.39%0.09420%0.204CC..Hα-helixtrans-57.3-40.5178.4175.763.1000111I43 L46 F55 E74 I79 V80I43-L76 HydrophobicContact CB-CD2 4.45Å; I43-L76 HydrophobicContact CD1-CD2 3.32Å; I43-L76 HydrophobicContact CG1-CD2 4.44Å; I43-L76 HydrophobicContact CG2-CD2 4.41Å; L46-L76 HydrophobicContact CD2-CD1 3.85Å; L46-L76 HydrophobicContact CG-CD1 4.2Å; L46-L76 HydrophobicContact CG-CD2 4.21Å; F55-L76 HydrophobicContact CB-CD1 4.01Å; F55-L76 HydrophobicContact CB-CD2 4.14Å; F55-L76 HydrophobicContact CD1-CB 4.03Å; F55-L76 HydrophobicContact CD1-CD1 4.32Å; F55-L76 HydrophobicContact CD1-CD2 4.17Å; F55-L76 HydrophobicContact CD1-CG 4.4Å; F55-L76 HydrophobicContact CD2-CD1 4.01Å; F55-L76 HydrophobicContact CE1-CB 4.02Å; F55-L76 HydrophobicContact CG-CB 4.42Å; F55-L76 HydrophobicContact CG-CD1 3.86Å; F55-L76 HydrophobicContact CG-CD2 4.27Å; F55-L76 HydrophobicContact CG-CG 4.41Å; F55-L76 HydrophobicContact CZ-CB 4.39Å; E74-L76 PolarHBondContact O-N 3.34Å; L76-I79 WeakPolarHBondContact O-CB 3.47Å; L76-I79 PolarHBondContact O-N 2.93Å; L76-V80 HydrophobicContact CD1-CG1 3.79Å; L76-V80 HydrophobicContact CG-CG1 4.25Å; L76-V80 WeakPolarHBondContact O-CG1 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.44Å; L76-V80 PolarHBondContact O-N 3Å
77K97.7Very high97.3Very high107 Ų10745 Ų4547%0.46522%0.223SC..Hα-helixtrans-60.3-48.5177.3-178.3179.7173.4-1740111.3E74 L75 I79 V80 D81E74-K77 WeakPolarHBondContact O-CB 3.46Å; E74-K77 PolarHBondContact O-N 2.95Å; L75-K77 PolarHBondContact O-N 2.91Å; K77-I79 PolarHBondContact O-N 3.42Å; K77-V80 WeakPolarHBondContact O-CG2 3.24Å; K77-V80 PolarHBondContact O-N 3.23Å; K77-D81 WeakPolarHBondContact CG-OD2 3.39Å; K77-D81 VanDerWaalsContact O-CB 3.22Å; K77-D81 WeakPolarHBondContact O-CB 3.27Å; K77-D81 PolarHBondContact O-N 3.26Å
78C98.4Very high97Very high12 Ų1245.6 Ų45.68%0.08123%0.226CC..Hα-helixtrans-58.4-35.3175.6-76.50000112.8E74 L75 T82 G106 L110 R113E74-C78 PolarHBondContact O-N 3.25Å; L75-C78 WeakPolarHBondContact O-CB 3.38Å; L75-C78 PolarHBondContact O-N 3.25Å; L75-C78 VanDerWaalsContact O-N 3.12Å; C78-T82 VanDerWaalsContact O-CG2 3.31Å; C78-T82 WeakPolarHBondContact O-CG2 3.41Å; C78-G106 WeakPolarHBondContact CB-O 3.34Å; C78-L110 HydrophobicContact CB-CB 4.23Å; C78-R113 PolarHBondContact SG-NH2 2.93Å
79I98.3Very high96.4Very high0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-70-51.6175.5-64.9169.6000111.3F55 L75 L76 K77 D81 T82 F85 I103 F107 L135F55-I79 HydrophobicContact CE2-CD1 4.35Å; L75-I79 HydrophobicContact CD1-CD1 4.17Å; L75-I79 HydrophobicContact CD1-CG1 4.33Å; L75-I79 HydrophobicContact CG-CD1 4Å; L75-I79 WeakPolarHBondContact O-CG1 3.36Å; L75-I79 PolarHBondContact O-N 3.1Å; L76-I79 WeakPolarHBondContact O-CB 3.47Å; L76-I79 PolarHBondContact O-N 2.93Å; K77-I79 PolarHBondContact O-N 3.42Å; I79-D81 PolarHBondContact O-N 3.01Å; I79-T82 WeakPolarHBondContact O-CG2 3.45Å; I79-T82 PolarHBondContact O-N 2.89Å; I79-T82 PolarHBondContact O-OG1 2.85Å; I79-F85 HydrophobicContact CG2-CD1 4.4Å; I79-F85 HydrophobicContact CG2-CD2 3.9Å; I79-F85 HydrophobicContact CG2-CE1 3.98Å; I79-F85 HydrophobicContact CG2-CE2 3.43Å; I79-F85 VanDerWaalsContact CG2-CE2 3.43Å; I79-F85 HydrophobicContact CG2-CG 4.36Å; I79-F85 HydrophobicContact CG2-CZ 3.47Å; I79-F85 VanDerWaalsContact CG2-CZ 3.47Å; I79-F85 VanDerWaalsContact O-CD2 3.28Å; I79-F85 WeakPolarHBondContact O-CD2 3.12Å; I79-F85 WeakPolarHBondContact O-CG 3.36Å; I79-I103 HydrophobicContact CD1-CG2 4.38Å; I79-I103 HydrophobicContact CG2-CG1 4.08Å; I79-F107 HydrophobicContact CD1-CD2 4.39Å; I79-F107 HydrophobicContact CD1-CE2 4.2Å; I79-L135 HydrophobicContact CG2-CD2 4.45Å
80V96.9Very high95.6Very high24 Ų2446.7 Ų46.715%0.14524%0.238CC..Hα-helixtrans-71.7-21.2-176.4-580000113L46 L50 L76 K77 T82 F85L46-V80 HydrophobicContact CD2-CG1 3.98Å; L50-V80 HydrophobicContact CD1-CB 4.34Å; L50-V80 HydrophobicContact CD1-CG1 3.91Å; L76-V80 HydrophobicContact CD1-CG1 3.79Å; L76-V80 HydrophobicContact CG-CG1 4.25Å; L76-V80 WeakPolarHBondContact O-CG1 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.44Å; L76-V80 PolarHBondContact O-N 3Å; K77-V80 WeakPolarHBondContact O-CG2 3.24Å; K77-V80 PolarHBondContact O-N 3.23Å; V80-T82 VanDerWaalsContact C-N 3.31Å; V80-F85 HydrophobicContact CG1-CD1 4.38Å; V80-F85 WeakPolarHBondContact O-CB 3.34Å
81D96.3Very high94.9Very high78 Ų7851.7 Ų51.742%0.41727%0.265SS..THydrogen-bonded Turntrans-81.2-4.4176.4-79.7-26.2000113.6K77 I79 K86K77-D81 WeakPolarHBondContact CG-OD2 3.39Å; K77-D81 VanDerWaalsContact O-CB 3.22Å; K77-D81 WeakPolarHBondContact O-CB 3.27Å; K77-D81 PolarHBondContact O-N 3.26Å; I79-D81 PolarHBondContact O-N 3.01Å; D81-K86 VanDerWaalsContact O-CE 3.25Å; D81-K86 WeakPolarHBondContact O-CE 3.36Å; D81-K86 PolarHBondContact O-NZ 3.21Å
82T97Very high94.2Very high16 Ų1657.1 Ų57.110%0.09829%0.294CS..SBendtrans-69.8158.1173.8830000112.1C78 I79 V80 E84 F85 K86 G102 D105C78-T82 VanDerWaalsContact O-CG2 3.31Å; C78-T82 WeakPolarHBondContact O-CG2 3.41Å; I79-T82 WeakPolarHBondContact O-CG2 3.45Å; I79-T82 PolarHBondContact O-N 2.89Å; I79-T82 PolarHBondContact O-OG1 2.85Å; V80-T82 VanDerWaalsContact C-N 3.31Å; T82-E84 VanDerWaalsContact CB-OE2 3.26Å; T82-E84 WeakPolarHBondContact CB-OE2 3.44Å; T82-E84 PolarHBondContact O-N 3.33Å; T82-E84 PolarHBondContact OG1-OE2 3.11Å; T82-F85 PolarHBondContact O-N 3.4Å; T82-F85 PolarHBondContact OG1-N 3.11Å; T82-K86 WeakPolarHBondContact O-CB 3.24Å; T82-K86 WeakPolarHBondContact O-CG 3.42Å; T82-K86 PolarHBondContact O-N 3.02Å; T82-G102 WeakPolarHBondContact CG2-O 3.39Å; T82-G102 WeakPolarHBondContact OG1-CA 3.43Å; T82-D105 HydrophobicContact CG2-CB 4.22Å
83E95.4Very high93.3Very high103 Ų10359.8 Ų59.848%0.48132%0.316SS..Hα-helixtrans-64.2-30.6179.9-70.9-60.3124.600112.4K87E83-K87 WeakPolarHBondContact O-CB 3.22Å; E83-K87 VanDerWaalsContact O-CD 3.22Å; E83-K87 WeakPolarHBondContact O-CD 3.43Å; E83-K87 WeakPolarHBondContact O-CE 3.29Å; E83-K87 WeakPolarHBondContact O-CG 3.36Å; E83-K87 PolarHBondContact O-N 2.67Å; E83-K87 IonicContact OE2-NZ 3.93Å
84E94.7Very high92.6Very high22 Ų2256.9 Ų56.910%0.10330%0.299CS..Hα-helixtrans-62-51.5174.8-65.468.5-149.900110.6T82 K87 I88 E98 R101T82-E84 VanDerWaalsContact CB-OE2 3.26Å; T82-E84 WeakPolarHBondContact CB-OE2 3.44Å; T82-E84 PolarHBondContact O-N 3.33Å; T82-E84 PolarHBondContact OG1-OE2 3.11Å; E84-K87 PolarHBondContact O-N 3.18Å; E84-I88 WeakPolarHBondContact O-CG1 3.23Å; E84-E98 HydrophobicContact CB-CB 4.2Å; E84-E98 VanDerWaalsContact CB-O 3.23Å; E84-E98 WeakPolarHBondContact CB-O 3.45Å; E84-E98 HydrophobicContact CG-CB 4.07Å; E84-E98 VanDerWaalsContact CG-O 3.22Å; E84-E98 WeakPolarHBondContact CG-O 3.41Å; E84-R101 HydrophobicContact CG-CB 4.32Å; E84-R101 HydrophobicContact CG-CG 4.48Å; E84-R101 IonicContact OE1-CZ 3.67Å; E84-R101 VanDerWaalsContact OE1-CZ 3.26Å; E84-R101 IonicContact OE1-NE 3.33Å; E84-R101 PolarHBondContact OE1-NE 3.15Å; E84-R101 IonicContact OE1-NH2 3.26Å; E84-R101 PolarHBondContact OE1-NH2 3.22Å
85F95.4Very high92.3Very high5 Ų557 Ų572%0.02231%0.305CS..Hα-helixtrans-70.3-39.2-178.1-87.1-98000112.6L50 W53 I79 V80 T82 K87 I88 V99 I103 L135L50-F85 HydrophobicContact CD1-CD1 3.72Å; L50-F85 HydrophobicContact CD1-CE1 4.44Å; W53-F85 HydrophobicContact CE3-CE1 4.33Å; W53-F85 AromaticContact CZ3-CE1 3.87Å; W53-F85 HydrophobicContact CZ3-CE1 3.87Å; W53-F85 HydrophobicContact CZ3-CZ 4.38Å; I79-F85 HydrophobicContact CG2-CD1 4.4Å; I79-F85 HydrophobicContact CG2-CD2 3.9Å; I79-F85 HydrophobicContact CG2-CE1 3.98Å; I79-F85 HydrophobicContact CG2-CE2 3.43Å; I79-F85 VanDerWaalsContact CG2-CE2 3.43Å; I79-F85 HydrophobicContact CG2-CG 4.36Å; I79-F85 HydrophobicContact CG2-CZ 3.47Å; I79-F85 VanDerWaalsContact CG2-CZ 3.47Å; I79-F85 VanDerWaalsContact O-CD2 3.28Å; I79-F85 WeakPolarHBondContact O-CD2 3.12Å; I79-F85 WeakPolarHBondContact O-CG 3.36Å; V80-F85 HydrophobicContact CG1-CD1 4.38Å; V80-F85 WeakPolarHBondContact O-CB 3.34Å; T82-F85 PolarHBondContact O-N 3.4Å; T82-F85 PolarHBondContact OG1-N 3.11Å; F85-K87 PolarHBondContact O-N 3.49Å; F85-I88 HydrophobicContact CD1-CD1 3.88Å; F85-I88 HydrophobicContact CE1-CD1 4.29Å; F85-I88 HydrophobicContact CG-CD1 4.18Å; F85-I88 WeakPolarHBondContact O-CB 3.35Å; F85-I88 PolarHBondContact O-N 3.36Å; F85-I88 VanDerWaalsContact O-N 3.11Å; F85-V99 HydrophobicContact CE2-CG1 4.25Å; F85-V99 HydrophobicContact CZ-CG1 3.77Å; F85-I103 HydrophobicContact CE2-CG1 4.05Å; F85-I103 HydrophobicContact CZ-CG1 3.94Å; F85-L135 HydrophobicContact CE1-CD2 3.68Å; F85-L135 HydrophobicContact CZ-CD2 3.71Å
86K94.1Very high92.2Very high116 Ų11659.9 Ų59.950%0.50432%0.319SS..Hα-helixtrans-61.4-27.6176.9-77.9170.8172.7154.70113.7D81 T82D81-K86 VanDerWaalsContact O-CE 3.25Å; D81-K86 WeakPolarHBondContact O-CE 3.36Å; D81-K86 PolarHBondContact O-NZ 3.21Å; T82-K86 WeakPolarHBondContact O-CB 3.24Å; T82-K86 WeakPolarHBondContact O-CG 3.42Å; T82-K86 PolarHBondContact O-N 3.02Å
87K92Very high92.1Very high136 Ų13666 Ų6659%0.59135%0.347SS*.THydrogen-bonded Turntrans-86.5-8.1179.1-69.4167.8-165.8165.40113.4E83 E84 F85 N89E83-K87 WeakPolarHBondContact O-CB 3.22Å; E83-K87 VanDerWaalsContact O-CD 3.22Å; E83-K87 WeakPolarHBondContact O-CD 3.43Å; E83-K87 WeakPolarHBondContact O-CE 3.29Å; E83-K87 WeakPolarHBondContact O-CG 3.36Å; E83-K87 PolarHBondContact O-N 2.67Å; E83-K87 IonicContact OE2-NZ 3.93Å; E84-K87 PolarHBondContact O-N 3.18Å; F85-K87 PolarHBondContact O-N 3.49Å; K87-N89 PolarHBondContact O-N 2.8Å; K87-N89 VanDerWaalsContact O-N 3.13Å
88I92.5Very high92Very high13 Ų1364.4 Ų64.47%0.06734%0.342CS..  trans-63118.4179-63.8177.4000109.3N49 L50 W53 E84 F85 P94 V99N49-I88 PolarHBondContact ND2-O 3.09Å; L50-I88 HydrophobicContact CD2-CB 4.06Å; L50-I88 HydrophobicContact CD2-CD1 4.03Å; L50-I88 HydrophobicContact CD2-CG2 3.78Å; W53-I88 HydrophobicContact CH2-CD1 3.85Å; W53-I88 HydrophobicContact CZ2-CD1 4.09Å; W53-I88 HydrophobicContact CZ2-CG2 4.3Å; E84-I88 WeakPolarHBondContact O-CG1 3.23Å; F85-I88 HydrophobicContact CD1-CD1 3.88Å; F85-I88 HydrophobicContact CE1-CD1 4.29Å; F85-I88 HydrophobicContact CG-CD1 4.18Å; F85-I88 WeakPolarHBondContact O-CB 3.35Å; F85-I88 PolarHBondContact O-N 3.36Å; F85-I88 VanDerWaalsContact O-N 3.11Å; I88-P94 HydrophobicContact CD1-CB 4.22Å; I88-P94 HydrophobicContact CG1-CB 4.09Å; I88-P94 HydrophobicContact CG2-CB 4.32Å; I88-V99 HydrophobicContact CD1-CG2 4.18Å
89N87.2Confident92Very high65 Ų6564 Ų6435%0.34834%0.339SS..  trans-90124.6170.6-178.5-20.9000108.5K87 D91 L92K87-N89 PolarHBondContact O-N 2.8Å; K87-N89 VanDerWaalsContact O-N 3.13Å; N89-D91 PolarHBondContact O-N 2.92Å; N89-D91 VanDerWaalsContact O-N 3.16Å; N89-D91 WeakPolarHBondContact OD1-CB 3.44Å; N89-D91 PolarHBondContact OD1-N 2.95Å; N89-L92 HydrophobicContact CB-CB 4.19Å; N89-L92 HydrophobicContact CB-CD1 4.11Å; N89-L92 HydrophobicContact CB-CG 4.19Å; N89-L92 PolarHBondContact O-N 3.21Å
90P82.3Confident92Very high63 Ų6366.8 Ų66.841%0.40935%0.352SS..THydrogen-bonded Turntrans-60.3-25.2-179.924.2-33.2000113.6N49 L92N49-P90 HydrophobicContact CB-CG 4.39Å; P90-L92 VanDerWaalsContact C-N 3.34Å
91D83.2Confident92Very high145 Ų14570.7 Ų70.778%0.77536%0.364SS*.THydrogen-bonded Turntrans-84.1-9.8-179.4-58.8-39.4000112.9N89N89-D91 PolarHBondContact O-N 2.92Å; N89-D91 VanDerWaalsContact O-N 3.16Å; N89-D91 WeakPolarHBondContact OD1-CB 3.44Å; N89-D91 PolarHBondContact OD1-N 2.95Å
92L83.7Confident92.1Very high116 Ų11667 Ų6761%0.60734%0.344SS*.SBendtrans-118.3146.3-177.9-60.1177000110.7N89 P90N89-L92 HydrophobicContact CB-CB 4.19Å; N89-L92 HydrophobicContact CB-CD1 4.11Å; N89-L92 HydrophobicContact CB-CG 4.19Å; N89-L92 PolarHBondContact O-N 3.21Å; P90-L92 VanDerWaalsContact C-N 3.34Å
93A79.9Confident92.2Very high75 Ų7566.2 Ų66.262%0.6234%0.34SS*.PPolyproline II helixtrans-67.6125.8168.800000108.8
94P84.6Confident92.4Very high37 Ų3765 Ų6524%0.2433%0.331CS..PPolyproline II helixtrans-69.4156175.933.1-38.7000110.3W53 I88 L96 V99W53-P94 HydrophobicContact CH2-CG 4.06Å; W53-P94 HydrophobicContact CZ2-CG 3.91Å; I88-P94 HydrophobicContact CD1-CB 4.22Å; I88-P94 HydrophobicContact CG1-CB 4.09Å; I88-P94 HydrophobicContact CG2-CB 4.32Å; P94-L96 PolarHBondContact O-N 3.02Å; P94-V99 HydrophobicContact CB-CG2 3.79Å; P94-V99 HydrophobicContact CG-CG2 3.92Å
95S92.3Very high92.5Very high47 Ų4766.4 Ų66.433%0.32934%0.339SS..PPolyproline II helixtrans-66.4122.9167.7173.70000109.5Q97 E98 V99S95-Q97 PolarHBondContact O-N 3.34Å; S95-E98 WeakPolarHBondContact CB-OE2 3.23Å; S95-E98 PolarHBondContact O-N 3.2Å; S95-V99 WeakPolarHBondContact O-CG2 3.04Å; S95-V99 PolarHBondContact O-N 3.32Å
96L95.7Very high92.7Very high59 Ų5966.2 Ų66.231%0.30934%0.338SS..Hα-helixtrans-54.9-43.2177.8-61.7-176.7000111.4P94 E98 V99 E100 F142 V225P94-L96 PolarHBondContact O-N 3.02Å; L96-E98 VanDerWaalsContact C-N 3.29Å; L96-E98 PolarHBondContact O-N 3.4Å; L96-V99 PolarHBondContact O-N 3Å; L96-V99 VanDerWaalsContact O-N 3.14Å; L96-E100 WeakPolarHBondContact O-CG 3.23Å; L96-E100 PolarHBondContact O-N 3.39Å; L96-F142 HydrophobicContact CD2-CE1 4.25Å; L96-F142 HydrophobicContact CD2-CZ 3.66Å; L96-V225 HydrophobicContact CD1-CG1 4.37Å; L96-V225 HydrophobicContact CD2-CG1 4.21Å
97Q96.6Very high92.9Very high146 Ų14660.7 Ų60.768%0.68231%0.314SS*.Hα-helixtrans-62.9-33.8178.5-66.1176.7-4.500112.8S95 R101S95-Q97 PolarHBondContact O-N 3.34Å; Q97-R101 VanDerWaalsContact O-CB 3.31Å; Q97-R101 WeakPolarHBondContact O-CB 3.36Å; Q97-R101 PolarHBondContact O-N 3.49Å
98E95.7Very high93.3Very high75 Ų7555.5 Ų55.535%0.3529%0.293SS..Hα-helixtrans-73.5-38.7175.7-66.4-172.812300111E84 S95 L96 R101 G102E84-E98 HydrophobicContact CB-CB 4.2Å; E84-E98 VanDerWaalsContact CB-O 3.23Å; E84-E98 WeakPolarHBondContact CB-O 3.45Å; E84-E98 HydrophobicContact CG-CB 4.07Å; E84-E98 VanDerWaalsContact CG-O 3.22Å; E84-E98 WeakPolarHBondContact CG-O 3.41Å; S95-E98 WeakPolarHBondContact CB-OE2 3.23Å; S95-E98 PolarHBondContact O-N 3.2Å; L96-E98 VanDerWaalsContact C-N 3.29Å; L96-E98 PolarHBondContact O-N 3.4Å; E98-R101 PolarHBondContact O-N 2.79Å; E98-R101 IonicContact OE1-NH2 3.34Å; E98-G102 PolarHBondContact O-N 2.94Å
99V97.5Very high93.5Very high2 Ų257.9 Ų57.91%0.01231%0.31CS..Hα-helixtrans-63.3-45.9174.5-178.90000110.5W53 F85 I88 P94 S95 L96 R101 G102 I103 F142W53-V99 HydrophobicContact CH2-CG1 4.16Å; W53-V99 HydrophobicContact CH2-CG2 3.91Å; W53-V99 HydrophobicContact CZ3-CG1 4.03Å; F85-V99 HydrophobicContact CE2-CG1 4.25Å; F85-V99 HydrophobicContact CZ-CG1 3.77Å; I88-V99 HydrophobicContact CD1-CG2 4.18Å; P94-V99 HydrophobicContact CB-CG2 3.79Å; P94-V99 HydrophobicContact CG-CG2 3.92Å; S95-V99 WeakPolarHBondContact O-CG2 3.04Å; S95-V99 PolarHBondContact O-N 3.32Å; L96-V99 PolarHBondContact O-N 3Å; L96-V99 VanDerWaalsContact O-N 3.14Å; V99-R101 PolarHBondContact O-N 3.47Å; V99-G102 PolarHBondContact O-N 2.84Å; V99-I103 HydrophobicContact CG1-CD1 3.98Å; V99-I103 VanDerWaalsContact O-CG1 3.3Å; V99-I103 WeakPolarHBondContact O-CG1 3.4Å; V99-I103 PolarHBondContact O-N 3.45Å; V99-F142 HydrophobicContact CB-CD1 4.36Å; V99-F142 HydrophobicContact CB-CE1 3.62Å; V99-F142 HydrophobicContact CB-CE2 4.46Å; V99-F142 HydrophobicContact CB-CZ 3.68Å; V99-F142 HydrophobicContact CG1-CD1 3.76Å; V99-F142 HydrophobicContact CG1-CD2 4.11Å; V99-F142 HydrophobicContact CG1-CE1 3.44Å; V99-F142 VanDerWaalsContact CG1-CE1 3.44Å; V99-F142 HydrophobicContact CG1-CE2 3.81Å; V99-F142 HydrophobicContact CG1-CG 4.1Å; V99-F142 HydrophobicContact CG1-CZ 3.46Å; V99-F142 VanDerWaalsContact CG1-CZ 3.46Å; V99-F142 HydrophobicContact CG2-CZ 4.13Å
100E98.3Very high94.1Very high60 Ų6054.8 Ų54.828%0.2829%0.294SS..Hα-helixtrans-58.2-46174.8-68.9176106.600111.5L96 I103 R104 F142 I223 V225L96-E100 WeakPolarHBondContact O-CG 3.23Å; L96-E100 PolarHBondContact O-N 3.39Å; E100-I103 PolarHBondContact O-N 3.3Å; E100-R104 WeakPolarHBondContact O-CB 3.46Å; E100-R104 PolarHBondContact O-N 3.1Å; E100-F142 HydrophobicContact CG-CD1 4.27Å; E100-F142 HydrophobicContact CG-CE1 4.21Å; E100-I223 HydrophobicContact CB-CD1 4.49Å; E100-I223 HydrophobicContact CB-CG2 4.38Å; E100-I223 HydrophobicContact CG-CG2 3.87Å; E100-I223 WeakPolarHBondContact O-CD1 3.2Å; E100-V225 HydrophobicContact CG-CG2 3.76Å
101R98.2Very high94.9Very high106 Ų10652 Ų5240%0.428%0.276SS..Hα-helixtrans-61.8-44.8176.5-174.9171.872.6-131.8-3.4112.1E84 Q97 E98 V99 I103 R104 D105E84-R101 HydrophobicContact CG-CB 4.32Å; E84-R101 HydrophobicContact CG-CG 4.48Å; E84-R101 IonicContact OE1-CZ 3.67Å; E84-R101 VanDerWaalsContact OE1-CZ 3.26Å; E84-R101 IonicContact OE1-NE 3.33Å; E84-R101 PolarHBondContact OE1-NE 3.15Å; E84-R101 IonicContact OE1-NH2 3.26Å; E84-R101 PolarHBondContact OE1-NH2 3.22Å; Q97-R101 VanDerWaalsContact O-CB 3.31Å; Q97-R101 WeakPolarHBondContact O-CB 3.36Å; Q97-R101 PolarHBondContact O-N 3.49Å; E98-R101 PolarHBondContact O-N 2.79Å; E98-R101 IonicContact OE1-NH2 3.34Å; V99-R101 PolarHBondContact O-N 3.47Å; R101-I103 PolarHBondContact O-N 3.23Å; R101-R104 PolarHBondContact O-N 3.21Å; R101-D105 WeakPolarHBondContact O-CB 3.44Å; R101-D105 VanDerWaalsContact O-CG 3.27Å; R101-D105 PolarHBondContact O-N 2.67Å
102G98.3Very high95.6Very high0 Ų049.6 Ų49.60%026%0.262CS..Hα-helixtrans-64.1-38.4178.200000113.2T82 E98 V99 G106T82-G102 WeakPolarHBondContact CG2-O 3.39Å; T82-G102 WeakPolarHBondContact OG1-CA 3.43Å; E98-G102 PolarHBondContact O-N 2.94Å; V99-G102 PolarHBondContact O-N 2.84Å; G102-G106 PolarHBondContact O-N 2.89Å
103I98.7Very high96.3Very high0 Ų048.7 Ų48.70%025%0.251CS..Hα-helixtrans-62.4-51.6173.4-67.1164.4000109.6I79 F85 V99 E100 R101 D105 G106 F107 L135 F142 A144 I223I79-I103 HydrophobicContact CD1-CG2 4.38Å; I79-I103 HydrophobicContact CG2-CG1 4.08Å; F85-I103 HydrophobicContact CE2-CG1 4.05Å; F85-I103 HydrophobicContact CZ-CG1 3.94Å; V99-I103 HydrophobicContact CG1-CD1 3.98Å; V99-I103 VanDerWaalsContact O-CG1 3.3Å; V99-I103 WeakPolarHBondContact O-CG1 3.4Å; V99-I103 PolarHBondContact O-N 3.45Å; E100-I103 PolarHBondContact O-N 3.3Å; R101-I103 PolarHBondContact O-N 3.23Å; I103-D105 PolarHBondContact O-N 3.45Å; I103-G106 PolarHBondContact O-N 3.48Å; I103-F107 HydrophobicContact CG2-CD2 4.18Å; I103-F107 HydrophobicContact CG2-CE2 4.01Å; I103-F107 WeakPolarHBondContact O-CD2 3.27Å; I103-F107 PolarHBondContact O-N 3.45Å; I103-F107 VanDerWaalsContact O-N 3.1Å; I103-L135 HydrophobicContact CD1-CD1 4Å; I103-L135 HydrophobicContact CG1-CD1 4.11Å; I103-F142 HydrophobicContact CD1-CB 3.79Å; I103-F142 HydrophobicContact CD1-CD1 4.05Å; I103-F142 HydrophobicContact CD1-CG 4.07Å; I103-A144 HydrophobicContact CG2-CB 3.77Å; I103-I223 HydrophobicContact CB-CD1 3.88Å; I103-I223 HydrophobicContact CG2-CD1 3.76Å; I103-I223 HydrophobicContact CG2-CG1 4.2Å
104R98.7Very high97.2Very high78 Ų7845.3 Ų45.329%0.29422%0.222SC..Hα-helixtrans-55.5-50178.5179.9-170.7177.7-80.8-5.8111.8E100 R101 G106 F107 L108 E220 I223E100-R104 WeakPolarHBondContact O-CB 3.46Å; E100-R104 PolarHBondContact O-N 3.1Å; R101-R104 PolarHBondContact O-N 3.21Å; R104-G106 VanDerWaalsContact C-N 3.29Å; R104-G106 PolarHBondContact O-N 2.7Å; R104-F107 WeakPolarHBondContact O-CB 3.23Å; R104-F107 PolarHBondContact O-N 2.9Å; R104-L108 HydrophobicContact CG-CD1 4.47Å; R104-L108 VanDerWaalsContact NH1-CD1 3.31Å; R104-L108 WeakPolarHBondContact O-CG 3.38Å; R104-L108 PolarHBondContact O-N 3.04Å; R104-L108 VanDerWaalsContact O-N 3.08Å; R104-E220 HydrophobicContact CG-CG 4.43Å; R104-E220 IonicContact CZ-OE1 2.84Å; R104-E220 IonicContact NE-OE1 3.16Å; R104-E220 PolarHBondContact NE-OE1 3.37Å; R104-E220 IonicContact NH2-OE1 2.79Å; R104-E220 PolarHBondContact NH2-OE1 2.8Å; R104-I223 HydrophobicContact CB-CD1 3.98Å
105D98.6Very high97.8Very high51 Ų5147 Ų4727%0.27322%0.224SC..Hα-helixtrans-68.3-31.1-177.7-68.7-10.8000111.5T82 R101 I103 L108 S109T82-D105 HydrophobicContact CG2-CB 4.22Å; R101-D105 WeakPolarHBondContact O-CB 3.44Å; R101-D105 VanDerWaalsContact O-CG 3.27Å; R101-D105 PolarHBondContact O-N 2.67Å; I103-D105 PolarHBondContact O-N 3.45Å; D105-L108 PolarHBondContact O-N 2.95Å; D105-S109 WeakPolarHBondContact O-CB 3.34Å; D105-S109 PolarHBondContact O-N 3.08Å
106G98.8Very high98Very high0 Ų050.9 Ų50.90%024%0.237CC..Hα-helixtrans-61.2-43.5170.400000113.1C78 G102 I103 R104 L110C78-G106 WeakPolarHBondContact CB-O 3.34Å; G102-G106 PolarHBondContact O-N 2.89Å; I103-G106 PolarHBondContact O-N 3.48Å; R104-G106 VanDerWaalsContact C-N 3.29Å; R104-G106 PolarHBondContact O-N 2.7Å; G106-L110 WeakPolarHBondContact O-CB 3.33Å; G106-L110 PolarHBondContact O-N 3.46Å
107F98.9Very high98.1Very high0 Ų050.6 Ų50.60%024%0.235CC..Hα-helixtrans-62.7-48.4174.2-87.7-114.7000112L75 I79 I103 R104 L110 D111 A131 A144 C146 L199 P221L75-F107 HydrophobicContact CD1-CD2 3.7Å; L75-F107 HydrophobicContact CD1-CE2 3.96Å; L75-F107 HydrophobicContact CD1-CG 4.03Å; L75-F107 HydrophobicContact CD1-CZ 4.49Å; L75-F107 HydrophobicContact CD2-CD2 4.36Å; L75-F107 HydrophobicContact CD2-CE1 4.27Å; L75-F107 HydrophobicContact CD2-CE2 3.79Å; L75-F107 HydrophobicContact CD2-CZ 3.73Å; L75-F107 HydrophobicContact CG-CE2 4.3Å; I79-F107 HydrophobicContact CD1-CD2 4.39Å; I79-F107 HydrophobicContact CD1-CE2 4.2Å; I103-F107 HydrophobicContact CG2-CD2 4.18Å; I103-F107 HydrophobicContact CG2-CE2 4.01Å; I103-F107 WeakPolarHBondContact O-CD2 3.27Å; I103-F107 PolarHBondContact O-N 3.45Å; I103-F107 VanDerWaalsContact O-N 3.1Å; R104-F107 WeakPolarHBondContact O-CB 3.23Å; R104-F107 PolarHBondContact O-N 2.9Å; F107-L110 PolarHBondContact O-N 3.34Å; F107-D111 PolarHBondContact O-N 3.48Å; F107-A131 HydrophobicContact CE1-CB 3.7Å; F107-A131 HydrophobicContact CZ-CB 4.16Å; F107-A144 HydrophobicContact CE2-CB 4.28Å; F107-A144 HydrophobicContact CZ-CB 4.31Å; F107-C146 HydrophobicContact CD1-CB 4.17Å; F107-C146 HydrophobicContact CE1-CB 3.75Å; F107-L199 HydrophobicContact CD1-CD1 4.12Å; F107-L199 HydrophobicContact CE1-CD1 4.24Å; F107-P221 HydrophobicContact CB-CG 3.99Å; F107-P221 HydrophobicContact CD1-CB 3.91Å; F107-P221 HydrophobicContact CD1-CG 3.85Å; F107-P221 HydrophobicContact CD2-CB 4.36Å; F107-P221 HydrophobicContact CD2-CG 3.8Å; F107-P221 HydrophobicContact CE1-CB 3.84Å; F107-P221 HydrophobicContact CE1-CG 4.22Å; F107-P221 HydrophobicContact CE2-CB 4.29Å; F107-P221 HydrophobicContact CE2-CG 4.18Å; F107-P221 HydrophobicContact CG-CB 4.17Å; F107-P221 HydrophobicContact CG-CG 3.62Å; F107-P221 HydrophobicContact CZ-CB 4.03Å; F107-P221 HydrophobicContact CZ-CG 4.37Å
108L98.8Very high98.2Very high28 Ų2848.1 Ų48.115%0.14723%0.232CC..Hα-helixtrans-65.7-39.7-179.4-61.8-175.7000112.2R104 D105 D111 D112 T213 P219 E220R104-L108 HydrophobicContact CG-CD1 4.47Å; R104-L108 VanDerWaalsContact NH1-CD1 3.31Å; R104-L108 WeakPolarHBondContact O-CG 3.38Å; R104-L108 PolarHBondContact O-N 3.04Å; R104-L108 VanDerWaalsContact O-N 3.08Å; D105-L108 PolarHBondContact O-N 2.95Å; L108-D111 PolarHBondContact O-N 2.98Å; L108-D112 WeakPolarHBondContact O-CB 3.5Å; L108-D112 PolarHBondContact O-N 2.86Å; L108-T213 HydrophobicContact CD1-CG2 4.17Å; L108-T213 HydrophobicContact CD2-CG2 3.8Å; L108-P219 HydrophobicContact CD2-CB 4.41Å; L108-P219 HydrophobicContact CD2-CG 3.77Å; L108-E220 HydrophobicContact CD2-CB 4.49Å
109S98.6Very high98.3Very high63 Ų6348.5 Ų48.544%0.44123%0.233SC..Hα-helixtrans-64.1-42.2176.1178.30000111.8D105 R113D105-S109 WeakPolarHBondContact O-CB 3.34Å; D105-S109 PolarHBondContact O-N 3.08Å; S109-R113 WeakPolarHBondContact O-CB 3.42Å; S109-R113 PolarHBondContact O-N 3.14Å
110L98.8Very high98.3Very high0 Ų048.9 Ų48.90%024%0.235CC..Hα-helixtrans-63.1-50.8174-179.762.5000110.7C71 E74 L75 C78 G106 F107 D112 R113 L114 L199C71-L110 HydrophobicContact CB-CD2 4.42Å; E74-L110 HydrophobicContact CB-CD1 3.88Å; L75-L110 HydrophobicContact CB-CD2 3.77Å; L75-L110 HydrophobicContact CD1-CB 4.42Å; L75-L110 HydrophobicContact CD1-CD2 3.89Å; L75-L110 HydrophobicContact CG-CD2 4.4Å; C78-L110 HydrophobicContact CB-CB 4.23Å; G106-L110 WeakPolarHBondContact O-CB 3.33Å; G106-L110 PolarHBondContact O-N 3.46Å; F107-L110 PolarHBondContact O-N 3.34Å; L110-D112 VanDerWaalsContact C-N 3.29Å; L110-D112 PolarHBondContact O-N 3.01Å; L110-R113 PolarHBondContact O-N 3.13Å; L110-R113 VanDerWaalsContact O-N 3.17Å; L110-L114 HydrophobicContact CD1-CD1 4.06Å; L110-L114 HydrophobicContact CD1-CD2 4.11Å; L110-L114 HydrophobicContact CD1-CG 3.82Å; L110-L114 HydrophobicContact CD2-CD1 4.39Å; L110-L114 HydrophobicContact CG-CD1 3.87Å; L110-L114 HydrophobicContact CG-CG 4.05Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.39Å; L110-L114 PolarHBondContact O-N 2.93Å; L110-L199 HydrophobicContact CB-CD2 4.24Å; L110-L199 HydrophobicContact CD2-CD2 3.79Å; L110-L199 HydrophobicContact CG-CD2 4.04Å
111D98.8Very high98.2Very high5 Ų549.3 Ų49.33%0.02725%0.249CC..Hα-helixtrans-59.6-39.2-178.3-166.765.6000112.5F107 L108 R115 L199 G200 Y202 K205 P219F107-D111 PolarHBondContact O-N 3.48Å; L108-D111 PolarHBondContact O-N 2.98Å; D111-R115 PolarHBondContact O-N 2.93Å; D111-L199 HydrophobicContact CB-CD2 4.29Å; D111-L199 WeakPolarHBondContact OD1-CA 3.47Å; D111-G200 PolarHBondContact OD1-N 2.95Å; D111-Y202 WeakPolarHBondContact O-CE1 3.41Å; D111-Y202 PolarHBondContact O-OH 2.8Å; D111-K205 IonicContact OD1-NZ 2.77Å; D111-K205 PolarHBondContact OD1-NZ 3.07Å; D111-K205 IonicContact OD2-NZ 2.81Å; D111-K205 PolarHBondContact OD2-NZ 2.62Å; D111-P219 HydrophobicContact CB-CB 3.7Å; D111-P219 HydrophobicContact CB-CG 4.2Å; D111-P219 VanDerWaalsContact CG-CB 3.48Å; D111-P219 WeakPolarHBondContact OD2-CB 3.06Å; D111-P219 WeakPolarHBondContact OD2-CG 3.31Å
112D98.3Very high98.1Very high93 Ų9348.1 Ų48.150%0.49726%0.257SS..Hα-helixtrans-66.3-45.3175.3-172.165.4000111.9L108 L110 L114 R115 H116L108-D112 WeakPolarHBondContact O-CB 3.5Å; L108-D112 PolarHBondContact O-N 2.86Å; L110-D112 VanDerWaalsContact C-N 3.29Å; L110-D112 PolarHBondContact O-N 3.01Å; D112-L114 PolarHBondContact O-N 3.25Å; D112-R115 VanDerWaalsContact O-CB 3.3Å; D112-R115 WeakPolarHBondContact O-CB 3.24Å; D112-R115 PolarHBondContact O-N 3.45Å; D112-H116 PolarHBondContact O-CD2 3.26Å
113R98.3Very high97.9Very high98 Ų9849.5 Ų49.537%0.3727%0.271SS..Hα-helixtrans-62.6-43.7177.7-179.3169.259.2127.9-10.8112.3E74 C78 S109 L110 R115 H116E74-R113 IonicContact OE2-CZ 3.76Å; E74-R113 VanDerWaalsContact OE2-CZ 3.25Å; E74-R113 IonicContact OE2-NH1 3.54Å; E74-R113 PolarHBondContact OE2-NH1 2.7Å; E74-R113 IonicContact OE2-NH2 2.86Å; E74-R113 PolarHBondContact OE2-NH2 3.31Å; C78-R113 PolarHBondContact SG-NH2 2.93Å; S109-R113 WeakPolarHBondContact O-CB 3.42Å; S109-R113 PolarHBondContact O-N 3.14Å; L110-R113 PolarHBondContact O-N 3.13Å; L110-R113 VanDerWaalsContact O-N 3.17Å; R113-R115 VanDerWaalsContact C-N 3.26Å; R113-R115 PolarHBondContact O-N 3.45Å; R113-H116 PolarHBondContact O-N 2.94Å
114L98.6Very high97.8Very high4 Ų457.1 Ų57.12%0.02131%0.307CS..Hα-helixtrans-61.2-34.7179.5-71.5-175.6000111.8V67 L70 L110 D112 H116 L117 L120 Y202V67-L114 HydrophobicContact CG1-CD1 4.16Å; L70-L114 HydrophobicContact CB-CD2 3.81Å; L70-L114 HydrophobicContact CD1-CD2 3.45Å; L70-L114 VanDerWaalsContact CD1-CD2 3.45Å; L70-L114 HydrophobicContact CG-CD2 4.21Å; L110-L114 HydrophobicContact CD1-CD1 4.06Å; L110-L114 HydrophobicContact CD1-CD2 4.11Å; L110-L114 HydrophobicContact CD1-CG 3.82Å; L110-L114 HydrophobicContact CD2-CD1 4.39Å; L110-L114 HydrophobicContact CG-CD1 3.87Å; L110-L114 HydrophobicContact CG-CG 4.05Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.39Å; L110-L114 PolarHBondContact O-N 2.93Å; D112-L114 PolarHBondContact O-N 3.25Å; L114-H116 PolarHBondContact O-N 3.46Å; L114-H116 VanDerWaalsContact O-N 3.09Å; L114-L117 HydrophobicContact CD2-CD1 3.6Å; L114-L117 WeakPolarHBondContact O-CB 3.09Å; L114-L117 PolarHBondContact O-N 3.16Å; L114-L120 HydrophobicContact CB-CD1 4.25Å; L114-L120 VanDerWaalsContact O-CD1 3.3Å; L114-L120 WeakPolarHBondContact O-CD1 3.41Å; L114-Y202 VanDerWaalsContact C-OH 3.29Å; L114-Y202 WeakPolarHBondContact CB-OH 3.14Å
115R97.1Very high97.7Very high71 Ų7155.1 Ų55.127%0.26830%0.302SS..Hα-helixtrans-57-28.9177.2-175.2-176.8-69.3-96.56113.1D111 D112 R113 A121 Y202 K205D111-R115 PolarHBondContact O-N 2.93Å; D112-R115 VanDerWaalsContact O-CB 3.3Å; D112-R115 WeakPolarHBondContact O-CB 3.24Å; D112-R115 PolarHBondContact O-N 3.45Å; R113-R115 VanDerWaalsContact C-N 3.26Å; R113-R115 PolarHBondContact O-N 3.45Å; R115-A121 WeakPolarHBondContact O-CB 3.38Å; R115-Y202 VanDerWaalsContact CA-CE2 3.47Å; R115-Y202 HydrophobicContact CB-CD1 4.06Å; R115-Y202 HydrophobicContact CB-CD2 4.49Å; R115-Y202 HydrophobicContact CB-CE1 3.62Å; R115-Y202 HydrophobicContact CB-CE2 4.11Å; R115-Y202 HydrophobicContact CB-CG 4.47Å; R115-Y202 HydrophobicContact CG-CD1 3.98Å; R115-Y202 HydrophobicContact CG-CE1 4.08Å; R115-Y202 HydrophobicContact CG-CG 4.21Å; R115-Y202 VanDerWaalsContact CZ-CD1 3.41Å; R115-Y202 VanDerWaalsContact N-CZ 3.34Å; R115-Y202 PolarHBondContact N-OH 2.95Å; R115-K205 PolarHBondContact NH1-O 3.21Å; R115-K205 VanDerWaalsContact NH2-CB 3.26Å; R115-K205 PolarHBondContact NH2-O 3.39Å; R115-K205 VanDerWaalsContact NH2-O 3.16Å
116H97.6Very high97.6Very high129 Ų12961.6 Ų61.660%0.59732%0.323SS*.THydrogen-bonded Turntrans-92.7-0.9-177-63.3-56.2000113.7D112 R113 L114D112-H116 PolarHBondContact O-CD2 3.26Å; R113-H116 PolarHBondContact O-N 2.94Å; L114-H116 PolarHBondContact O-N 3.46Å; L114-H116 VanDerWaalsContact O-N 3.09Å
117L97.8Very high97.6Very high53 Ų5361.6 Ų61.628%0.27732%0.323SS..SBendtrans-66135.1172.2-67.9177000110.3L70 L114 Q119 L120 A121L70-L117 HydrophobicContact CD1-CD1 3.36Å; L114-L117 HydrophobicContact CD2-CD1 3.6Å; L114-L117 WeakPolarHBondContact O-CB 3.09Å; L114-L117 PolarHBondContact O-N 3.16Å; L117-Q119 PolarHBondContact O-N 3.24Å; L117-Q119 VanDerWaalsContact O-N 3.12Å; L117-L120 HydrophobicContact CB-CD1 4.29Å; L117-L120 HydrophobicContact CD1-CD1 4.13Å; L117-L120 PolarHBondContact O-N 2.84Å; L117-L120 VanDerWaalsContact O-N 3.07Å; L117-A121 VanDerWaalsContact O-CB 3.3Å; L117-A121 WeakPolarHBondContact O-CB 3.3Å; L117-A121 PolarHBondContact O-N 3.4Å
118P97.8Very high97.6Very high94 Ų9461.6 Ų61.661%0.6132%0.323SS*.Hα-helixtrans-52.2-39-175.2-3035.9000114.8S122P118-S122 WeakPolarHBondContact O-CB 3.36Å; P118-S122 PolarHBondContact O-N 3.19Å; P118-S122 PolarHBondContact O-OG 3.03Å
119Q97.5Very high97.6Very high83 Ų8360.3 Ų60.339%0.38832%0.316SS..Hα-helixtrans-66.2-42.5-179.4-60.385.8-16.900111.8L66 L117 S122 E124 D125L66-Q119 HydrophobicContact CD2-CB 3.97Å; L117-Q119 PolarHBondContact O-N 3.24Å; L117-Q119 VanDerWaalsContact O-N 3.12Å; Q119-S122 PolarHBondContact O-OG 3.24Å; Q119-E124 PolarHBondContact O-N 3.44Å; Q119-E124 VanDerWaalsContact O-N 3.16Å; Q119-D125 HydrophobicContact CB-CB 3.92Å; Q119-D125 PolarHBondContact O-N 3.01Å
120L97.2Very high97.6Very high10 Ų1057.4 Ų57.45%0.05230%0.295CS..Hα-helixtrans-79.8-41.1-179.5-68.5163.3000111.4L66 V67 L114 L117 S122 G123 D125 Y202L66-L120 HydrophobicContact CD2-CD1 4.2Å; L66-L120 HydrophobicContact CD2-CD2 4.47Å; L66-L120 HydrophobicContact CD2-CG 4.06Å; V67-L120 HydrophobicContact CG2-CD1 3.99Å; V67-L120 HydrophobicContact CG2-CD2 4.02Å; L114-L120 HydrophobicContact CB-CD1 4.25Å; L114-L120 VanDerWaalsContact O-CD1 3.3Å; L114-L120 WeakPolarHBondContact O-CD1 3.41Å; L117-L120 HydrophobicContact CB-CD1 4.29Å; L117-L120 HydrophobicContact CD1-CD1 4.13Å; L117-L120 PolarHBondContact O-N 2.84Å; L117-L120 VanDerWaalsContact O-N 3.07Å; L120-S122 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 2.91Å; L120-G123 PolarHBondContact O-N 3.21Å; L120-G123 VanDerWaalsContact O-N 3.11Å; L120-D125 HydrophobicContact CD2-CB 4.09Å; L120-D125 WeakPolarHBondContact CD2-OD1 3.31Å; L120-Y202 HydrophobicContact CB-CD2 4.12Å; L120-Y202 HydrophobicContact CB-CE2 3.97Å; L120-Y202 HydrophobicContact CD1-CE2 4.06Å; L120-Y202 HydrophobicContact CD2-CD2 4.48Å; L120-Y202 HydrophobicContact CD2-CE2 4.28Å; L120-Y202 HydrophobicContact CG-CE2 4.31Å
121A96.8Very high97.6Very high69 Ų6957.4 Ų57.457%0.5730%0.295SS*.Hα-helixtrans-65.8-35179.600000112.8R115 L117 G123R115-A121 WeakPolarHBondContact O-CB 3.38Å; L117-A121 VanDerWaalsContact O-CB 3.3Å; L117-A121 WeakPolarHBondContact O-CB 3.3Å; L117-A121 PolarHBondContact O-N 3.4Å; A121-G123 VanDerWaalsContact C-N 3.29Å
122S95.8Very high97.6Very high81 Ų8157.1 Ų57.157%0.56629%0.294SS*.THydrogen-bonded Turntrans-77.1-15.6174.6640000113.2P118 Q119 L120 E124P118-S122 WeakPolarHBondContact O-CB 3.36Å; P118-S122 PolarHBondContact O-N 3.19Å; P118-S122 PolarHBondContact O-OG 3.03Å; Q119-S122 PolarHBondContact O-OG 3.24Å; L120-S122 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 2.91Å; S122-E124 PolarHBondContact O-N 3.09Å; S122-E124 WeakPolarHBondContact OG-CB 3.48Å; S122-E124 PolarHBondContact OG-N 2.94Å
123G93.9Very high97.7Very high29 Ų2952.7 Ų52.730%0.29927%0.271SS..THydrogen-bonded Turntrans72.813.9-173.200000114.3L120 A121 R126L120-G123 PolarHBondContact O-N 3.21Å; L120-G123 VanDerWaalsContact O-N 3.11Å; A121-G123 VanDerWaalsContact C-N 3.29Å; G123-R126 PolarHBondContact O-NE 3.45Å
124E96.3Very high97.7Very high161 Ų16148 Ų4875%0.75225%0.253SS*.SBendtrans-62.3-50.3169178.4-176.9175.700110Q119 S122Q119-E124 PolarHBondContact O-N 3.44Å; Q119-E124 VanDerWaalsContact O-N 3.16Å; S122-E124 PolarHBondContact O-N 3.09Å; S122-E124 WeakPolarHBondContact OG-CB 3.48Å; S122-E124 PolarHBondContact OG-N 2.94Å
125D97.6Very high97.7Very high35 Ų3547.9 Ų47.919%0.18725%0.252CS..  trans-96.6134.5169.4-166.5-67.6000109L66 Q119 L120 S127L66-D125 WeakPolarHBondContact CB-OD2 3.18Å; L66-D125 HydrophobicContact CD2-CB 3.98Å; Q119-D125 HydrophobicContact CB-CB 3.92Å; Q119-D125 PolarHBondContact O-N 3.01Å; L120-D125 HydrophobicContact CD2-CB 4.09Å; L120-D125 WeakPolarHBondContact CD2-OD1 3.31Å; D125-S127 WeakPolarHBondContact OD1-CB 3.42Å; D125-S127 PolarHBondContact OD1-N 2.82Å; D125-S127 PolarHBondContact OD1-OG 3.32Å
126R97Very high97.7Very high188 Ų18844.5 Ų44.571%0.70924%0.239SC*.  trans-125.419.2-179.4-59.2-177.7-174.51800.7111.5G123G123-R126 PolarHBondContact O-NE 3.45Å
127S98.2Very high97.7Very high0 Ų038.7 Ų38.70%021%0.213CC..  trans-64150.5-17758.70000111H62 A63 G64 V67 D125 D201H62-S127 WeakPolarHBondContact O-CA 3.28Å; H62-S127 WeakPolarHBondContact O-CB 3.46Å; A63-S127 WeakPolarHBondContact O-CA 3.42Å; A63-S127 PolarHBondContact O-N 3.37Å; G64-S127 VanDerWaalsContact O-CB 3.26Å; G64-S127 WeakPolarHBondContact O-CB 3.31Å; V67-S127 WeakPolarHBondContact CG2-O 3.29Å; V67-S127 WeakPolarHBondContact CG2-OG 3.28Å; V67-S127 PolarHBondContact N-OG 3.01Å; D125-S127 WeakPolarHBondContact OD1-CB 3.42Å; D125-S127 PolarHBondContact OD1-N 2.82Å; D125-S127 PolarHBondContact OD1-OG 3.32Å; S127-D201 PolarHBondContact O-N 2.86Å
128G98.6Very high97.5Very high0 Ų039 Ų390%022%0.218CC..EExtended strand (participates in β ladder)trans-129.5171.8162.300000108.9G61 H62 L199G61-G128 WeakPolarHBondContact CA-O 3.45Å; H62-G128 PolarHBondContact N-O 3.03Å; H62-G128 WeakPolarHBondContact NE2-CA 3.43Å; H62-G128 PolarHBondContact O-N 3.26Å; G128-L199 CarbonylContact C-O 3.55Å; G128-L199 WeakPolarHBondContact CA-O 3.27Å
129S98.9Very high97.4Very high0 Ų040.9 Ų40.90%022%0.217CC..EExtended strand (participates in β ladder)trans-146.9137.7175.1-171.90000110.4F59 D60 S68 S198 L199F59-S129 WeakPolarHBondContact CB-OG 3.35Å; D60-S129 CarbonylContact O-C 3.5Å; D60-S129 VanDerWaalsContact O-CA 3.29Å; D60-S129 WeakPolarHBondContact O-CA 3.27Å; D60-S129 PolarHBondContact O-OG 3.16Å; S68-S129 WeakPolarHBondContact CA-OG 3.28Å; S68-S129 VanDerWaalsContact CB-OG 3.32Å; S68-S129 WeakPolarHBondContact CB-OG 3.33Å; S129-S198 CarbonylContact O-C 3.53Å; S129-S198 VanDerWaalsContact O-CA 3.3Å; S129-S198 WeakPolarHBondContact O-CA 3.1Å; S129-S198 WeakPolarHBondContact O-CB 3.2Å; S129-L199 PolarHBondContact N-O 2.67Å; S129-L199 PolarHBondContact O-N 2.91Å
130T98.9Very high97.4Very high2 Ų238.3 Ų38.31%0.01221%0.205CC..  trans-65.116415782.20000109.3F59 D60 C146 D148 S149 V195F59-T130 WeakPolarHBondContact CA-O 3.43Å; D60-T130 HydrophobicContact CB-CG2 3.95Å; D60-T130 VanDerWaalsContact CB-OG1 3.22Å; D60-T130 WeakPolarHBondContact CB-OG1 3.08Å; D60-T130 PolarHBondContact N-OG1 3.1Å; D60-T130 VanDerWaalsContact N-OG1 3.07Å; D60-T130 PolarHBondContact O-N 3.41Å; T130-C146 CarbonylContact C-O 3.52Å; T130-C146 WeakPolarHBondContact CA-O 3.5Å; T130-D148 WeakPolarHBondContact CG2-OD1 3.33Å; T130-S149 PolarHBondContact OG1-OG 2.8Å; T130-V195 HydrophobicContact CG2-CG1 4.18Å
131A98.9Very high97.4Very high0 Ų037.9 Ų37.90%020%0.202CC..EExtended strand (participates in β ladder)trans-146116.916700000109.2F59 F107 N145 C146 L199F59-A131 HydrophobicContact CD1-CB 3.62Å; F59-A131 HydrophobicContact CE1-CB 3.64Å; F107-A131 HydrophobicContact CE1-CB 3.7Å; F107-A131 HydrophobicContact CZ-CB 4.16Å; A131-N145 CarbonylContact O-C 3.58Å; A131-C146 HydrophobicContact CB-CB 4.42Å; A131-C146 PolarHBondContact N-O 2.75Å; A131-C146 PolarHBondContact O-N 3.33Å; A131-L199 HydrophobicContact CB-CD1 3.6Å
132V98.9Very high97.5Very high0 Ų034.6 Ų34.60%018%0.175CC..EExtended strand (participates in β ladder)trans-115.1123.8164.768.30000108.5A57 V58 N145 A151 L238A57-V132 CarbonylContact C-O 3.51Å; A57-V132 VanDerWaalsContact CA-O 3.23Å; A57-V132 WeakPolarHBondContact CA-O 3.31Å; V58-V132 HydrophobicContact CB-CG1 4.03Å; V58-V132 PolarHBondContact N-O 3.47Å; V58-V132 PolarHBondContact O-N 2.98Å; V132-N145 HydrophobicContact CG2-CB 4.37Å; V132-A151 HydrophobicContact CG2-CB 3.59Å; V132-L238 HydrophobicContact CG1-CB 4.25Å; V132-L238 HydrophobicContact CG1-CD2 4.33Å; V132-L238 HydrophobicContact CG2-CD2 4.49Å; V132-L238 WeakPolarHBondContact O-CD2 3.22Å
133C98.9Very high97.7Very high0 Ų030.8 Ų30.80%015%0.148CC..EExtended strand (participates in β ladder)trans-139.4157179.668.10000112.7F55 F56 A57 A144F55-C133 HydrophobicContact CD2-CB 4.46Å; F55-C133 HydrophobicContact CE2-CB 3.54Å; F55-C133 HydrophobicContact CZ-CB 3.67Å; F56-C133 CarbonylContact O-C 3.47Å; F56-C133 WeakPolarHBondContact O-CA 3.41Å; F56-C133 WeakPolarHBondContact O-CB 3.43Å; A57-C133 HydrophobicContact CB-CB 3.54Å; C133-A144 PolarHBondContact N-O 2.84Å; C133-A144 PolarHBondContact O-N 3.25Å
134V98.9Very high97.9Very high0 Ų029.4 Ų29.40%013%0.134CC..EExtended strand (participates in β ladder)trans-124.3132171.9-65.40000110.7F55 F56 I136 I141 F142 F143 A151 I236 L238F55-V134 WeakPolarHBondContact CA-O 3.43Å; F56-V134 HydrophobicContact CB-CG2 3.79Å; F56-V134 HydrophobicContact CD2-CG2 4.09Å; F56-V134 HydrophobicContact CG-CG2 4.44Å; F56-V134 PolarHBondContact N-O 3.29Å; F56-V134 PolarHBondContact O-N 2.89Å; V134-I136 HydrophobicContact CB-CG1 4.5Å; V134-I136 HydrophobicContact CG2-CD1 4.3Å; V134-I136 HydrophobicContact CG2-CG1 4.28Å; V134-I141 HydrophobicContact CB-CG2 4.36Å; V134-I141 HydrophobicContact CG1-CG2 4.42Å; V134-F142 CarbonylContact C-O 3.49Å; V134-F142 VanDerWaalsContact CA-O 3.22Å; V134-F142 WeakPolarHBondContact CA-O 3.33Å; V134-F143 HydrophobicContact CG1-CD1 3.32Å; V134-F143 HydrophobicContact CG1-CE1 3.54Å; V134-F143 HydrophobicContact CG1-CG 4.06Å; V134-F143 HydrophobicContact CG1-CZ 4.41Å; V134-A151 HydrophobicContact CG1-CB 4.5Å; V134-I236 HydrophobicContact CG1-CG2 4.22Å; V134-I236 HydrophobicContact CG2-CG2 4.31Å; V134-L238 HydrophobicContact CG1-CD2 4.19Å; V134-L238 HydrophobicContact CG2-CD1 3.94Å; V134-L238 HydrophobicContact CG2-CD2 4.18Å
135L98.6Very high98Very high0 Ų021.9 Ų21.90%010%0.099CC..EExtended strand (participates in β ladder)trans-101.3121.1161-77.585.9000108.7W53 S54 F55 I79 F85 I103 I141 F142W53-L135 HydrophobicContact CE3-CD2 4.11Å; W53-L135 HydrophobicContact CZ3-CD2 4.25Å; S54-L135 CarbonylContact O-C 3.55Å; S54-L135 WeakPolarHBondContact O-CA 3.3Å; F55-L135 HydrophobicContact CD2-CD1 3.62Å; F55-L135 HydrophobicContact CD2-CG 3.86Å; F55-L135 HydrophobicContact CE2-CD1 3.85Å; I79-L135 HydrophobicContact CG2-CD2 4.45Å; F85-L135 HydrophobicContact CE1-CD2 3.68Å; F85-L135 HydrophobicContact CZ-CD2 3.71Å; I103-L135 HydrophobicContact CD1-CD1 4Å; I103-L135 HydrophobicContact CG1-CD1 4.11Å; L135-I141 WeakPolarHBondContact O-CA 3.2Å; L135-F142 HydrophobicContact CB-CB 4.23Å; L135-F142 PolarHBondContact N-O 2.7Å; L135-F142 PolarHBondContact O-N 2.9Å
136I98.2Very high98.1Very high1 Ų120.2 Ų20.21%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-107.4116.4-179.7-55.6174.7000107.9L22 W53 S54 F56 V134 I141 I236 V291 F293L22-I136 HydrophobicContact CD1-CB 4.44Å; L22-I136 HydrophobicContact CD1-CD1 3.83Å; L22-I136 HydrophobicContact CD1-CG2 4.25Å; W53-I136 CarbonylContact C-O 3.52Å; W53-I136 VanDerWaalsContact CA-O 3.24Å; W53-I136 WeakPolarHBondContact CA-O 3.31Å; S54-I136 PolarHBondContact N-O 2.85Å; S54-I136 PolarHBondContact O-N 2.81Å; F56-I136 HydrophobicContact CD2-CD1 4.01Å; F56-I136 HydrophobicContact CE2-CD1 3.96Å; V134-I136 HydrophobicContact CB-CG1 4.5Å; V134-I136 HydrophobicContact CG2-CD1 4.3Å; V134-I136 HydrophobicContact CG2-CG1 4.28Å; I136-I141 HydrophobicContact CG1-CG1 4.44Å; I136-I141 HydrophobicContact CG1-CG2 4.28Å; I136-I141 HydrophobicContact CG2-CG1 4.38Å; I136-I236 HydrophobicContact CD1-CD1 3.85Å; I136-I236 HydrophobicContact CG1-CD1 4.32Å; I136-V291 HydrophobicContact CD1-CG1 4.23Å; I136-F293 HydrophobicContact CD1-CE1 4.48Å; I136-F293 HydrophobicContact CD1-CZ 4.03Å; I136-F293 HydrophobicContact CG2-CE1 4.06Å; I136-F293 HydrophobicContact CG2-CZ 4.36Å
137T96.1Very high98.2Very high6 Ų611.2 Ų11.24%0.0376%0.056CC..  trans-100.4175.6174.375.60000109.6W53 K139 H140 F142 R228W53-T137 HydrophobicContact CD2-CG2 3.6Å; W53-T137 HydrophobicContact CE3-CG2 3.43Å; W53-T137 VanDerWaalsContact CE3-CG2 3.43Å; W53-T137 HydrophobicContact CG-CG2 4.43Å; W53-T137 HydrophobicContact CH2-CG2 3.52Å; W53-T137 HydrophobicContact CZ2-CG2 3.71Å; W53-T137 HydrophobicContact CZ3-CG2 3.38Å; T137-K139 PolarHBondContact O-N 3.22Å; T137-K139 VanDerWaalsContact O-N 3.1Å; T137-K139 PolarHBondContact OG1-N 3.21Å; T137-H140 PolarHBondContact N-O 3.32Å; T137-H140 PolarHBondContact OG1-N 3Å; T137-H140 PolarHBondContact OG1-O 2.81Å; T137-F142 HydrophobicContact CG2-CD2 4.06Å; T137-F142 HydrophobicContact CG2-CE2 3.7Å; T137-R228 WeakPolarHBondContact O-CD 3.38Å; T137-R228 PolarHBondContact O-NH1 3.03Å
138P94.1Very high98.2Very high59 Ų5911.5 Ų11.538%0.3836%0.057SC..SBendtrans-59.8-19.2172.3-2837.5000115.2D52D52-P138 HydrophobicContact CB-CG 4.01Å; D52-P138 WeakPolarHBondContact O-CD 3.45Å
139K95.5Very high98.2Very high135 Ų13511.5 Ų11.559%0.5876%0.057SC*.SBendtrans-127.6-23.5-171.8-70.3-175.7176.8-179.70115.7T137 R228T137-K139 PolarHBondContact O-N 3.22Å; T137-K139 VanDerWaalsContact O-N 3.1Å; T137-K139 PolarHBondContact OG1-N 3.21Å; K139-R228 WeakPolarHBondContact O-CB 3.3Å; K139-R228 PolarHBondContact O-N 2.94Å
140H97.5Very high98.2Very high29 Ų2913.5 Ų13.513%0.1347%0.065CC..EExtended strand (participates in β ladder)trans-138.3152.1-173.7-48.695.1000110.7T137 F142 V225 V226 D227T137-H140 PolarHBondContact N-O 3.32Å; T137-H140 PolarHBondContact OG1-N 3Å; T137-H140 PolarHBondContact OG1-O 2.81Å; H140-F142 HydrophobicContact CB-CD2 4.4Å; H140-F142 HydrophobicContact CB-CE2 3.81Å; H140-F142 HydrophobicContact CB-CZ 4.31Å; H140-V225 HydrophobicContact CB-CG1 3.97Å; H140-V226 CarbonylContact C-O 3.53Å; H140-V226 WeakPolarHBondContact CA-O 3.1Å; H140-D227 IonicContact CD2-OD1 2.91Å; H140-D227 PolarHBondContact CD2-OD1 2.86Å; H140-D227 IonicContact NE2-OD1 2.75Å; H140-D227 PolarHBondContact NE2-OD1 3.27Å
141I98.6Very high98.2Very high0 Ų013.4 Ų13.40%06%0.064CC..EExtended strand (participates in β ladder)trans-112.8125.2167-57.4149000107.3V134 L135 I136 F143 L153 V225 V226 R228 I236 F293V134-I141 HydrophobicContact CB-CG2 4.36Å; V134-I141 HydrophobicContact CG1-CG2 4.42Å; L135-I141 WeakPolarHBondContact O-CA 3.2Å; I136-I141 HydrophobicContact CG1-CG1 4.44Å; I136-I141 HydrophobicContact CG1-CG2 4.28Å; I136-I141 HydrophobicContact CG2-CG1 4.38Å; I141-F143 HydrophobicContact CB-CD2 4.46Å; I141-F143 HydrophobicContact CB-CE2 3.84Å; I141-F143 HydrophobicContact CB-CZ 4.35Å; I141-F143 HydrophobicContact CG2-CD2 3.81Å; I141-F143 HydrophobicContact CG2-CE1 4.2Å; I141-F143 HydrophobicContact CG2-CE2 3.29Å; I141-F143 HydrophobicContact CG2-CG 4.44Å; I141-F143 HydrophobicContact CG2-CZ 3.49Å; I141-F143 VanDerWaalsContact CG2-CZ 3.49Å; I141-L153 HydrophobicContact CD1-CD1 4.18Å; I141-L153 HydrophobicContact CD1-CD2 4.38Å; I141-V225 WeakPolarHBondContact O-CA 3.5Å; I141-V226 PolarHBondContact N-O 3.35Å; I141-V226 PolarHBondContact O-N 2.91Å; I141-R228 HydrophobicContact CD1-CG 3.82Å; I141-R228 HydrophobicContact CG1-CG 3.63Å; I141-I236 HydrophobicContact CD1-CD1 4.03Å; I141-I236 HydrophobicContact CG1-CD1 4.27Å; I141-I236 HydrophobicContact CG2-CD1 3.83Å; I141-F293 HydrophobicContact CD1-CZ 4.01Å; I141-F293 HydrophobicContact CG1-CZ 4.4Å
142F98.8Very high98.2Very high1 Ų113.4 Ų13.40%0.0046%0.064CC..EExtended strand (participates in β ladder)trans-101.9111173.5-63-100.8000107.9L96 V99 E100 I103 V134 L135 T137 H140 V225L96-F142 HydrophobicContact CD2-CE1 4.25Å; L96-F142 HydrophobicContact CD2-CZ 3.66Å; V99-F142 HydrophobicContact CB-CD1 4.36Å; V99-F142 HydrophobicContact CB-CE1 3.62Å; V99-F142 HydrophobicContact CB-CE2 4.46Å; V99-F142 HydrophobicContact CB-CZ 3.68Å; V99-F142 HydrophobicContact CG1-CD1 3.76Å; V99-F142 HydrophobicContact CG1-CD2 4.11Å; V99-F142 HydrophobicContact CG1-CE1 3.44Å; V99-F142 VanDerWaalsContact CG1-CE1 3.44Å; V99-F142 HydrophobicContact CG1-CE2 3.81Å; V99-F142 HydrophobicContact CG1-CG 4.1Å; V99-F142 HydrophobicContact CG1-CZ 3.46Å; V99-F142 VanDerWaalsContact CG1-CZ 3.46Å; V99-F142 HydrophobicContact CG2-CZ 4.13Å; E100-F142 HydrophobicContact CG-CD1 4.27Å; E100-F142 HydrophobicContact CG-CE1 4.21Å; I103-F142 HydrophobicContact CD1-CB 3.79Å; I103-F142 HydrophobicContact CD1-CD1 4.05Å; I103-F142 HydrophobicContact CD1-CG 4.07Å; V134-F142 CarbonylContact C-O 3.49Å; V134-F142 VanDerWaalsContact CA-O 3.22Å; V134-F142 WeakPolarHBondContact CA-O 3.33Å; L135-F142 HydrophobicContact CB-CB 4.23Å; L135-F142 PolarHBondContact N-O 2.7Å; L135-F142 PolarHBondContact O-N 2.9Å; T137-F142 HydrophobicContact CG2-CD2 4.06Å; T137-F142 HydrophobicContact CG2-CE2 3.7Å; H140-F142 HydrophobicContact CB-CD2 4.4Å; H140-F142 HydrophobicContact CB-CE2 3.81Å; H140-F142 HydrophobicContact CB-CZ 4.31Å; F142-V225 HydrophobicContact CD1-CB 4.36Å; F142-V225 HydrophobicContact CD1-CG1 4.13Å; F142-V225 HydrophobicContact CD1-CG2 3.5Å; F142-V225 VanDerWaalsContact CD1-CG2 3.5Å; F142-V225 HydrophobicContact CE1-CB 4.35Å; F142-V225 HydrophobicContact CE1-CG1 3.86Å; F142-V225 HydrophobicContact CE1-CG2 3.52Å; F142-V225 HydrophobicContact CG-CG2 4.46Å; F142-V225 HydrophobicContact CZ-CG1 4.07Å
143F98.9Very high98.2Very high1 Ų113.4 Ų13.40%0.0047%0.065CC..EExtended strand (participates in β ladder)trans-89.8126.8170.5-63.6-94.4000108.2V134 I141 A151 L153 F161 T163 I223 T224 V226 I236V134-F143 HydrophobicContact CG1-CD1 3.32Å; V134-F143 HydrophobicContact CG1-CE1 3.54Å; V134-F143 HydrophobicContact CG1-CG 4.06Å; V134-F143 HydrophobicContact CG1-CZ 4.41Å; I141-F143 HydrophobicContact CB-CD2 4.46Å; I141-F143 HydrophobicContact CB-CE2 3.84Å; I141-F143 HydrophobicContact CB-CZ 4.35Å; I141-F143 HydrophobicContact CG2-CD2 3.81Å; I141-F143 HydrophobicContact CG2-CE1 4.2Å; I141-F143 HydrophobicContact CG2-CE2 3.29Å; I141-F143 HydrophobicContact CG2-CG 4.44Å; I141-F143 HydrophobicContact CG2-CZ 3.49Å; I141-F143 VanDerWaalsContact CG2-CZ 3.49Å; F143-A151 HydrophobicContact CD1-CB 3.86Å; F143-A151 HydrophobicContact CE1-CB 4.22Å; F143-L153 HydrophobicContact CZ-CB 3.94Å; F143-F161 HydrophobicContact CB-CE1 3.74Å; F143-F161 HydrophobicContact CB-CZ 4.29Å; F143-F161 HydrophobicContact CD1-CD1 4.05Å; F143-F161 AromaticContact CD1-CE1 3.75Å; F143-F161 HydrophobicContact CD1-CE1 3.75Å; F143-F161 AromaticContact CD2-CD1 3.71Å; F143-F161 HydrophobicContact CD2-CD1 3.71Å; F143-F161 AromaticContact CD2-CE1 3.51Å; F143-F161 HydrophobicContact CD2-CE1 3.51Å; F143-F161 HydrophobicContact CD2-CZ 4.36Å; F143-F161 HydrophobicContact CE1-CD1 4.06Å; F143-F161 HydrophobicContact CE1-CE1 4.24Å; F143-F161 AromaticContact CE2-CD1 3.71Å; F143-F161 HydrophobicContact CE2-CD1 3.71Å; F143-F161 HydrophobicContact CE2-CE1 4.02Å; F143-F161 AromaticContact CG-CD1 3.9Å; F143-F161 HydrophobicContact CG-CD1 3.9Å; F143-F161 AromaticContact CG-CE1 3.37Å; F143-F161 HydrophobicContact CG-CE1 3.37Å; F143-F161 HydrophobicContact CG-CZ 4.32Å; F143-F161 AromaticContact CZ-CD1 3.91Å; F143-F161 HydrophobicContact CZ-CD1 3.91Å; F143-F161 HydrophobicContact CZ-CE1 4.37Å; F143-T163 HydrophobicContact CB-CG2 4.01Å; F143-T163 HydrophobicContact CD1-CG2 4.4Å; F143-I223 CarbonylContact O-C 3.53Å; F143-I223 VanDerWaalsContact O-CA 3.24Å; F143-I223 WeakPolarHBondContact O-CA 3.42Å; F143-T224 PolarHBondContact N-O 2.78Å; F143-T224 PolarHBondContact O-N 2.86Å; F143-V226 HydrophobicContact CD2-CG2 4.15Å; F143-V226 HydrophobicContact CE2-CB 4.23Å; F143-V226 HydrophobicContact CE2-CG2 3.93Å; F143-I236 HydrophobicContact CE1-CD1 4.42Å; F143-I236 HydrophobicContact CE1-CG1 4.33Å; F143-I236 HydrophobicContact CE1-CG2 4.35Å; F143-I236 HydrophobicContact CZ-CD1 4.12Å; F143-I236 HydrophobicContact CZ-CG1 4.17Å
144A98.9Very high98.2Very high0 Ų013.4 Ų13.40%07%0.065CC..EExtended strand (participates in β ladder)trans-125.4117.4173.700000109.1I103 F107 C133 P221 E222 I223I103-A144 HydrophobicContact CG2-CB 3.77Å; F107-A144 HydrophobicContact CE2-CB 4.28Å; F107-A144 HydrophobicContact CZ-CB 4.31Å; C133-A144 PolarHBondContact N-O 2.84Å; C133-A144 PolarHBondContact O-N 3.25Å; A144-P221 HydrophobicContact CB-CB 4.19Å; A144-E222 WeakPolarHBondContact CA-O 3.26Å; A144-I223 HydrophobicContact CB-CG1 4.03Å
145N98.9Very high98.2Very high2 Ų216.3 Ų16.31%0.0118%0.076CC..EExtended strand (participates in β ladder)trans-116.9134.3-178.2-172.834.6000111.6A131 V132 G147 S149 T163 V164 H166 P221 E222A131-N145 CarbonylContact O-C 3.58Å; V132-N145 HydrophobicContact CG2-CB 4.37Å; N145-G147 PolarHBondContact ND2-O 3.33Å; N145-G147 VanDerWaalsContact ND2-O 3.08Å; N145-S149 PolarHBondContact OD1-O 3.14Å; N145-S149 VanDerWaalsContact OD1-O 3.09Å; N145-T163 HydrophobicContact CB-CG2 4Å; N145-V164 PolarHBondContact ND2-O 3.3Å; N145-H166 PolarHBondContact O-CE1 2.92Å; N145-P221 CarbonylContact O-C 3.58Å; N145-P221 VanDerWaalsContact O-CA 3.22Å; N145-P221 WeakPolarHBondContact O-CA 3.42Å; N145-E222 PolarHBondContact N-O 2.99Å; N145-E222 PolarHBondContact O-N 3.15Å
146C98.9Very high98.1Very high0 Ų023.5 Ų23.50%011%0.107CC..EExtended strand (participates in β ladder)trans-142.473.7176.3-1700000109.1F107 T130 A131 P219 P221F107-C146 HydrophobicContact CD1-CB 4.17Å; F107-C146 HydrophobicContact CE1-CB 3.75Å; T130-C146 CarbonylContact C-O 3.52Å; T130-C146 WeakPolarHBondContact CA-O 3.5Å; A131-C146 HydrophobicContact CB-CB 4.42Å; A131-C146 PolarHBondContact N-O 2.75Å; A131-C146 PolarHBondContact O-N 3.33Å; C146-P219 PolarHBondContact SG-O 3.16Å; C146-P221 HydrophobicContact CB-CB 4.33Å
147G98.8Very high98.1Very high0 Ų024.9 Ų24.90%012%0.121CC..SBendtrans145.6-153.4176.400000110N145 H166 R197N145-G147 PolarHBondContact ND2-O 3.33Å; N145-G147 VanDerWaalsContact ND2-O 3.08Å; G147-H166 PolarHBondContact N-ND1 3.1Å; G147-H166 WeakPolarHBondContact O-CB 2.96Å; G147-H166 PolarHBondContact O-N 3.29Å; G147-R197 WeakPolarHBondContact CA-O 3.43Å
148D98.4Very high98.3Very high5 Ų532 Ų323%0.02715%0.152CC..SBendtrans-114.36.4-178.958.2-7.5000114.9T130 D165 K167 V195T130-D148 WeakPolarHBondContact CG2-OD1 3.33Å; D148-D165 HydrophobicContact CB-CB 3.98Å; D148-K167 HydrophobicContact CB-CD 3.89Å; D148-K167 VanDerWaalsContact CB-NZ 3.27Å; D148-K167 IonicContact OD2-NZ 3.44Å; D148-K167 PolarHBondContact OD2-NZ 2.91Å; D148-V195 HydrophobicContact CB-CG1 4.22Å; D148-V195 WeakPolarHBondContact OD1-CG1 3.41Å; D148-V195 WeakPolarHBondContact OD2-CG1 3.45Å
149S98.9Very high98.5Very high0 Ų031.1 Ų31.10%015%0.145CC..  trans-61.2151.9150-55.10000109.5D60 T130 N145 A239D60-S149 VanDerWaalsContact CB-OG 3.31Å; D60-S149 WeakPolarHBondContact CB-OG 3.4Å; T130-S149 PolarHBondContact OG1-OG 2.8Å; N145-S149 PolarHBondContact OD1-O 3.14Å; N145-S149 VanDerWaalsContact OD1-O 3.09Å; S149-A239 WeakPolarHBondContact CA-O 3.11Å; S149-A239 WeakPolarHBondContact CB-O 3.42Å
150R98.9Very high98.6Very high42 Ų4227.5 Ų27.516%0.15814%0.14CC..EExtended strand (participates in β ladder)trans-134.9144-172.1-169.8-170-61.1155.28.5111.7I152 T163 D165 L238 A239 W244 N249R150-I152 HydrophobicContact CG-CG2 4.42Å; R150-T163 WeakPolarHBondContact CA-OG1 3.39Å; R150-T163 WeakPolarHBondContact CG-OG1 3.36Å; R150-D165 IonicContact CZ-OD1 2.7Å; R150-D165 IonicContact CZ-OD2 3.56Å; R150-D165 IonicContact NE-OD1 3.06Å; R150-D165 PolarHBondContact NE-OD1 2.92Å; R150-D165 IonicContact NE-OD2 2.79Å; R150-D165 IonicContact NH2-OD1 3.32Å; R150-D165 PolarHBondContact NH2-OD1 3.35Å; R150-D165 IonicContact NH2-OD2 2.94Å; R150-D165 PolarHBondContact NH2-OD2 2.94Å; R150-L238 WeakPolarHBondContact O-CA 3.43Å; R150-A239 PolarHBondContact N-O 2.86Å; R150-A239 PolarHBondContact O-N 2.78Å; R150-W244 HydrophobicContact CB-CD2 4.19Å; R150-W244 HydrophobicContact CB-CG 4.16Å; R150-W244 HydrophobicContact CB-CZ2 4.33Å; R150-W244 PolarHBondContact O-NE1 2.99Å; R150-N249 WeakPolarHBondContact CD-OD1 3.3Å; R150-N249 PolarHBondContact NH1-OD1 2.71Å
151A98.9Very high98.7Very high0 Ų028.1 Ų28.10%014%0.143CC..EExtended strand (participates in β ladder)trans-115.1141.5167.900000111V132 V134 F143 A162 T163 V237 L238V132-A151 HydrophobicContact CG2-CB 3.59Å; V134-A151 HydrophobicContact CG1-CB 4.5Å; F143-A151 HydrophobicContact CD1-CB 3.86Å; F143-A151 HydrophobicContact CE1-CB 4.22Å; A151-A162 CarbonylContact O-C 3.56Å; A151-A162 WeakPolarHBondContact O-CA 3.15Å; A151-T163 HydrophobicContact CB-CG2 4.11Å; A151-T163 PolarHBondContact N-OG1 3.19Å; A151-T163 PolarHBondContact O-N 2.77Å; A151-T163 PolarHBondContact O-OG1 3.2Å; A151-V237 CarbonylContact C-O 3.45Å; A151-V237 WeakPolarHBondContact CA-O 3.48Å; A151-L238 HydrophobicContact CB-CD2 4.34Å; A151-L238 HydrophobicContact CB-CG 3.97Å
152I98.9Very high98.7Very high0 Ų029.6 Ų29.60%016%0.155CC..EExtended strand (participates in β ladder)trans-128.2150.4173.866.3166.7000111.1R150 I154 V159 F161 A162 I236 V237 W244 N249 I252R150-I152 HydrophobicContact CG-CG2 4.42Å; I152-I154 HydrophobicContact CD1-CD1 4.22Å; I152-I154 HydrophobicContact CD1-CG1 4.17Å; I152-V159 HydrophobicContact CB-CG1 4.47Å; I152-V159 HydrophobicContact CD1-CG2 4.49Å; I152-F161 CarbonylContact C-O 3.55Å; I152-F161 VanDerWaalsContact CA-O 3.28Å; I152-F161 WeakPolarHBondContact CA-O 3.45Å; I152-A162 HydrophobicContact CG2-CB 3.7Å; I152-I236 VanDerWaalsContact O-CA 3.3Å; I152-I236 WeakPolarHBondContact O-CA 3.49Å; I152-V237 HydrophobicContact CD1-CB 4.39Å; I152-V237 HydrophobicContact CD1-CG2 4.36Å; I152-V237 HydrophobicContact CG1-CB 3.78Å; I152-V237 HydrophobicContact CG1-CG2 4.15Å; I152-V237 PolarHBondContact N-O 2.82Å; I152-V237 PolarHBondContact O-N 3.23Å; I152-W244 HydrophobicContact CD1-CH2 3.95Å; I152-W244 HydrophobicContact CD1-CZ3 4.5Å; I152-W244 HydrophobicContact CG1-CH2 4.02Å; I152-W244 HydrophobicContact CG2-CH2 4.04Å; I152-N249 HydrophobicContact CG2-CB 4.44Å; I152-I252 HydrophobicContact CD1-CG2 4.07Å
153L98.9Very high98.7Very high1 Ų130.1 Ų30.11%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-109.1125.7167.717862.9000108.8I141 F143 A160 F161 V226 I236 F293I141-L153 HydrophobicContact CD1-CD1 4.18Å; I141-L153 HydrophobicContact CD1-CD2 4.38Å; F143-L153 HydrophobicContact CZ-CB 3.94Å; L153-A160 PolarHBondContact O-N 3.07Å; L153-F161 HydrophobicContact CB-CB 4Å; L153-F161 PolarHBondContact N-O 2.7Å; L153-F161 PolarHBondContact O-N 3.45Å; L153-V226 HydrophobicContact CD2-CG1 3.94Å; L153-I236 HydrophobicContact CD1-CD1 4.39Å; L153-I236 HydrophobicContact CD1-CG1 3.75Å; L153-F293 HydrophobicContact CD1-CE2 4.4Å
154I98.9Very high98.7Very high0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans-102.3121.6169.8-58.1164.7000107.8I152 K158 E234 I235 C253 L256I152-I154 HydrophobicContact CD1-CD1 4.22Å; I152-I154 HydrophobicContact CD1-CG1 4.17Å; I154-K158 CarbonylContact C-O 3.6Å; I154-K158 VanDerWaalsContact CA-O 3.28Å; I154-K158 WeakPolarHBondContact CA-O 3.36Å; I154-E234 PolarHBondContact O-N 3.07Å; I154-I235 HydrophobicContact CB-CB 4.11Å; I154-I235 HydrophobicContact CD1-CB 4.14Å; I154-I235 HydrophobicContact CD1-CD1 4.21Å; I154-I235 HydrophobicContact CD1-CG2 4.26Å; I154-I235 PolarHBondContact N-O 3.37Å; I154-I235 PolarHBondContact O-N 2.8Å; I154-I235 VanDerWaalsContact O-N 3.15Å; I154-C253 HydrophobicContact CD1-CB 3.95Å; I154-C253 HydrophobicContact CG1-CB 4.21Å; I154-L256 HydrophobicContact CD1-CD1 4.21Å
155R98.6Very high98.7Very high61 Ų6135.4 Ų35.423%0.2319%0.189CC..EExtended strand (participates in β ladder)trans-125.6126.1177.9-178.4176.3-73.2-177-1.1108.5G157 K158 A160 D227 L232 D233R155-G157 VanDerWaalsContact C-N 3.29Å; R155-G157 PolarHBondContact O-N 2.86Å; R155-K158 PolarHBondContact N-O 3.43Å; R155-K158 PolarHBondContact O-N 3.45Å; R155-K158 VanDerWaalsContact O-N 3.13Å; R155-A160 HydrophobicContact CB-CB 3.64Å; R155-D227 PolarHBondContact NH2-O 2.68Å; R155-L232 WeakPolarHBondContact CA-O 3.49Å; R155-L232 HydrophobicContact CG-CB 3.6Å; R155-L232 VanDerWaalsContact CG-O 3.32Å; R155-L232 WeakPolarHBondContact CG-O 3.48Å; R155-D233 IonicContact CZ-OD1 3.47Å; R155-D233 IonicContact NE-OD1 3.25Å; R155-D233 PolarHBondContact NE-OD1 2.78Å; R155-D233 IonicContact NH2-OD1 3.12Å; R155-D233 PolarHBondContact NH2-OD1 2.82Å; R155-D233 IonicContact NH2-OD2 2.69Å; R155-D233 PolarHBondContact NH2-OD2 2.94Å
156K97.7Very high98.7Very high151 Ų15135.4 Ų35.466%0.65719%0.19SC*.THydrogen-bonded Turntrans50.447.8179.7-162.6-176.9-178.4171.20112.8K158 L232 E234K156-K158 VanDerWaalsContact C-N 3.29Å; K156-K158 PolarHBondContact O-N 3.31Å; K156-L232 HydrophobicContact CD-CD2 4.41Å; K156-L232 PolarHBondContact N-O 3.29Å; K156-E234 WeakPolarHBondContact CA-OE1 3.43Å
157G98Very high98.6Very high30 Ų3037.9 Ų37.931%0.30920%0.2SC..THydrogen-bonded Turntrans7015.2178.600000116R155 E234R155-G157 VanDerWaalsContact C-N 3.29Å; R155-G157 PolarHBondContact O-N 2.86Å; G157-E234 WeakPolarHBondContact CA-OE2 3.29Å; G157-E234 VanDerWaalsContact N-CD 3.32Å; G157-E234 PolarHBondContact N-OE1 3.39Å; G157-E234 PolarHBondContact N-OE2 3.02Å
158K98.6Very high98.6Very high156 Ų15637.9 Ų37.968%0.67820%0.2SC*.EExtended strand (participates in β ladder)trans-134147.8-179.9-63.7-175.5179.5-175.50111.8I154 R155 K156 A160I154-K158 CarbonylContact C-O 3.6Å; I154-K158 VanDerWaalsContact CA-O 3.28Å; I154-K158 WeakPolarHBondContact CA-O 3.36Å; R155-K158 PolarHBondContact N-O 3.43Å; R155-K158 PolarHBondContact O-N 3.45Å; R155-K158 VanDerWaalsContact O-N 3.13Å; K156-K158 VanDerWaalsContact C-N 3.29Å; K156-K158 PolarHBondContact O-N 3.31Å; K158-A160 PolarHBondContact O-N 3.33Å
159V98.7Very high98.6Very high40 Ų4041 Ų4124%0.24222%0.219CC..EExtended strand (participates in β ladder)trans-63.7106.8169-175.20000108.4I152 N249 C253I152-V159 HydrophobicContact CB-CG1 4.47Å; I152-V159 HydrophobicContact CD1-CG2 4.49Å; V159-N249 HydrophobicContact CG1-CB 4.24Å; V159-N249 HydrophobicContact CG2-CB 4.03Å; V159-C253 HydrophobicContact CG2-CB 3.69Å
160A98.5Very high98.6Very high59 Ų5943 Ų4349%0.48823%0.23SC..EExtended strand (participates in β ladder)trans-95.4-25.3-179.400000112.3L153 R155 K158L153-A160 PolarHBondContact O-N 3.07Å; R155-A160 HydrophobicContact CB-CB 3.64Å; K158-A160 PolarHBondContact O-N 3.33Å
161F98.8Very high98.6Very high41 Ų4146.1 Ų46.118%0.1826%0.256CS..EExtended strand (participates in β ladder)trans-150.9148.2175.8175.1-98.8000110.1F143 I152 L153 T163 T224 V226F143-F161 HydrophobicContact CB-CE1 3.74Å; F143-F161 HydrophobicContact CB-CZ 4.29Å; F143-F161 HydrophobicContact CD1-CD1 4.05Å; F143-F161 AromaticContact CD1-CE1 3.75Å; F143-F161 HydrophobicContact CD1-CE1 3.75Å; F143-F161 AromaticContact CD2-CD1 3.71Å; F143-F161 HydrophobicContact CD2-CD1 3.71Å; F143-F161 AromaticContact CD2-CE1 3.51Å; F143-F161 HydrophobicContact CD2-CE1 3.51Å; F143-F161 HydrophobicContact CD2-CZ 4.36Å; F143-F161 HydrophobicContact CE1-CD1 4.06Å; F143-F161 HydrophobicContact CE1-CE1 4.24Å; F143-F161 AromaticContact CE2-CD1 3.71Å; F143-F161 HydrophobicContact CE2-CD1 3.71Å; F143-F161 HydrophobicContact CE2-CE1 4.02Å; F143-F161 AromaticContact CG-CD1 3.9Å; F143-F161 HydrophobicContact CG-CD1 3.9Å; F143-F161 AromaticContact CG-CE1 3.37Å; F143-F161 HydrophobicContact CG-CE1 3.37Å; F143-F161 HydrophobicContact CG-CZ 4.32Å; F143-F161 AromaticContact CZ-CD1 3.91Å; F143-F161 HydrophobicContact CZ-CD1 3.91Å; F143-F161 HydrophobicContact CZ-CE1 4.37Å; I152-F161 CarbonylContact C-O 3.55Å; I152-F161 VanDerWaalsContact CA-O 3.28Å; I152-F161 WeakPolarHBondContact CA-O 3.45Å; L153-F161 HydrophobicContact CB-CB 4Å; L153-F161 PolarHBondContact N-O 2.7Å; L153-F161 PolarHBondContact O-N 3.45Å; F161-T163 HydrophobicContact CE1-CG2 3.91Å; F161-T163 HydrophobicContact CZ-CG2 4.26Å; F161-T224 HydrophobicContact CD2-CG2 4.39Å; F161-T224 HydrophobicContact CE2-CG2 3.55Å; F161-T224 HydrophobicContact CZ-CG2 3.76Å; F161-V226 HydrophobicContact CD2-CG2 4.37Å; F161-V226 HydrophobicContact CG-CG2 4.2Å
162A98.8Very high98.5Very high31 Ų3152.6 Ų52.626%0.25629%0.29SS..EExtended strand (participates in β ladder)trans-144.5138.4170.400000108.7A151 I152A151-A162 CarbonylContact O-C 3.56Å; A151-A162 WeakPolarHBondContact O-CA 3.15Å; I152-A162 HydrophobicContact CG2-CB 3.7Å
163T98.9Very high98.5Very high12 Ų1252.9 Ų52.97%0.07429%0.291CS..PPolyproline II helixtrans-65.9153.3168.758.20000110.1F143 N145 R150 A151 F161F143-T163 HydrophobicContact CB-CG2 4.01Å; F143-T163 HydrophobicContact CD1-CG2 4.4Å; N145-T163 HydrophobicContact CB-CG2 4Å; R150-T163 WeakPolarHBondContact CA-OG1 3.39Å; R150-T163 WeakPolarHBondContact CG-OG1 3.36Å; A151-T163 HydrophobicContact CB-CG2 4.11Å; A151-T163 PolarHBondContact N-OG1 3.19Å; A151-T163 PolarHBondContact O-N 2.77Å; A151-T163 PolarHBondContact O-OG1 3.2Å; F161-T163 HydrophobicContact CE1-CG2 3.91Å; F161-T163 HydrophobicContact CZ-CG2 4.26Å
164V98.5Very high98.5Very high88 Ų8857 Ų5753%0.53331%0.309SS..PPolyproline II helixtrans-93.4125.5174.9-178.90000109.1N145 H166N145-V164 PolarHBondContact ND2-O 3.3Å; V164-H166 PolarHBondContact O-N 2.93Å
165D98.7Very high98.5Very high24 Ų2461.6 Ų61.613%0.12833%0.331CS..PPolyproline II helixtrans-63.9131.4176.9-57.45.4000110.7D148 R150 K167 N170D148-D165 HydrophobicContact CB-CB 3.98Å; R150-D165 IonicContact CZ-OD1 2.7Å; R150-D165 IonicContact CZ-OD2 3.56Å; R150-D165 IonicContact NE-OD1 3.06Å; R150-D165 PolarHBondContact NE-OD1 2.92Å; R150-D165 IonicContact NE-OD2 2.79Å; R150-D165 IonicContact NH2-OD1 3.32Å; R150-D165 PolarHBondContact NH2-OD1 3.35Å; R150-D165 IonicContact NH2-OD2 2.94Å; R150-D165 PolarHBondContact NH2-OD2 2.94Å; D165-K167 HydrophobicContact CB-CG 4.14Å; D165-K167 PolarHBondContact O-N 2.9Å; D165-N170 PolarHBondContact O-ND2 2.85Å
166H98.7Very high98.5Very high3 Ų360.2 Ų60.21%0.01433%0.326CS..  trans-82.983.4177.6-66.5125.2000111.6N145 G147 V164 S196 R197 E222N145-H166 PolarHBondContact O-CE1 2.92Å; G147-H166 PolarHBondContact N-ND1 3.1Å; G147-H166 WeakPolarHBondContact O-CB 2.96Å; G147-H166 PolarHBondContact O-N 3.29Å; V164-H166 PolarHBondContact O-N 2.93Å; H166-S196 VanDerWaalsContact C-OG 3.24Å; H166-S196 PolarHBondContact O-N 2.76Å; H166-S196 PolarHBondContact O-OG 3.48Å; H166-S196 VanDerWaalsContact O-OG 3.09Å; H166-R197 HydrophobicContact CB-CB 3.97Å; H166-R197 HydrophobicContact CB-CG 3.87Å; H166-R197 PolarHBondContact CD2-NE 2.81Å; H166-R197 VanDerWaalsContact NE2-CZ 3.26Å; H166-R197 PolarHBondContact NE2-NH2 2.8Å; H166-E222 IonicContact NE2-OE2 3Å; H166-E222 PolarHBondContact NE2-OE2 2.55Å
167K98.4Very high98.5Very high52 Ų5253 Ų5323%0.22629%0.294CS..  trans-97.7143.2177-56.6-68.9-172.51760110.9D148 D165 V169 N170D148-K167 HydrophobicContact CB-CD 3.89Å; D148-K167 VanDerWaalsContact CB-NZ 3.27Å; D148-K167 IonicContact OD2-NZ 3.44Å; D148-K167 PolarHBondContact OD2-NZ 2.91Å; D165-K167 HydrophobicContact CB-CG 4.14Å; D165-K167 PolarHBondContact O-N 2.9Å; K167-V169 HydrophobicContact CB-CG2 4.12Å; K167-V169 PolarHBondContact O-N 2.84Å; K167-N170 PolarHBondContact N-ND2 3.44Å; K167-N170 VanDerWaalsContact O-CB 3.31Å; K167-N170 WeakPolarHBondContact O-CB 3.28Å; K167-N170 PolarHBondContact O-N 3.18Å
168P98.6Very high98.5Very high0 Ų056 Ų560%030%0.3CS..THydrogen-bonded Turntrans-56.5-24.1179-29.937.4000115.3N170 K174 I177 V184 Q187 V189 A194P168-N170 VanDerWaalsContact C-N 3.32Å; P168-K174 WeakPolarHBondContact O-CB 3.39Å; P168-I177 HydrophobicContact CB-CD1 3.95Å; P168-V184 HydrophobicContact CB-CG1 3.88Å; P168-V184 HydrophobicContact CB-CG2 4.07Å; P168-V184 WeakPolarHBondContact O-CG2 3.14Å; P168-Q187 WeakPolarHBondContact CG-O 3.36Å; P168-V189 HydrophobicContact CB-CG2 3.92Å; P168-V189 HydrophobicContact CG-CG2 3.58Å; P168-A194 WeakPolarHBondContact CD-O 3.3Å
169V98.2Very high98.5Very high69 Ų6953.9 Ų53.942%0.41830%0.296SS..THydrogen-bonded Turntrans-78.3-15.3179.1-64.40000113.7K167 V184 Q187K167-V169 HydrophobicContact CB-CG2 4.12Å; K167-V169 PolarHBondContact O-N 2.84Å; V169-V184 HydrophobicContact CG1-CG1 4.11Å; V169-Q187 HydrophobicContact CG1-CB 3.69Å; V169-Q187 HydrophobicContact CG1-CG 3.8Å
170N98.5Very high98.5Very high44 Ų4452.9 Ų52.924%0.23529%0.292CS..SBendtrans-63.6138.1179.7-67.2-5.7000109.9D165 K167 P168 N172 E173 K174D165-N170 PolarHBondContact O-ND2 2.85Å; K167-N170 PolarHBondContact N-ND2 3.44Å; K167-N170 VanDerWaalsContact O-CB 3.31Å; K167-N170 WeakPolarHBondContact O-CB 3.28Å; K167-N170 PolarHBondContact O-N 3.18Å; P168-N170 VanDerWaalsContact C-N 3.32Å; N170-N172 PolarHBondContact O-N 3.48Å; N170-E173 HydrophobicContact CB-CB 4.09Å; N170-E173 HydrophobicContact CB-CG 3.76Å; N170-E173 PolarHBondContact O-N 2.72Å; N170-E173 VanDerWaalsContact O-N 3.12Å; N170-K174 WeakPolarHBondContact O-CB 3.4Å; N170-K174 PolarHBondContact O-N 3.42Å
171P98.3Very high98.4Very high107 Ų10753.5 Ų53.570%0.69531%0.305SS*.Hα-helixtrans-53.9-48.2-170-3035.7000115.1Q175P171-Q175 WeakPolarHBondContact O-CB 3.22Å; P171-Q175 PolarHBondContact O-N 3Å
172N97.8Very high98.4Very high135 Ų13552.2 Ų52.272%0.72230%0.302SS*.Hα-helixtrans-68-39.3-179.7-66-22.4000111.9N170 Q175 R176N170-N172 PolarHBondContact O-N 3.48Å; N172-Q175 PolarHBondContact O-N 3.05Å; N172-R176 PolarHBondContact O-N 3.32Å
173E98.7Very high98.3Very high6 Ų652.8 Ų52.83%0.02831%0.305CS..Hα-helixtrans-65.5-47.7178.2-55.8-57.4105.800110.8N170 Q175 R176 I177 S196 R197N170-E173 HydrophobicContact CB-CB 4.09Å; N170-E173 HydrophobicContact CB-CG 3.76Å; N170-E173 PolarHBondContact O-N 2.72Å; N170-E173 VanDerWaalsContact O-N 3.12Å; E173-Q175 VanDerWaalsContact C-N 3.31Å; E173-Q175 PolarHBondContact O-N 3.26Å; E173-R176 PolarHBondContact O-N 3.35Å; E173-R176 IonicContact OE1-NH1 2.76Å; E173-R176 PolarHBondContact OE1-NH1 3.4Å; E173-R176 IonicContact OE2-CZ 2.67Å; E173-R176 VanDerWaalsContact OE2-CZ 3.26Å; E173-R176 IonicContact OE2-NH1 2.7Å; E173-R176 PolarHBondContact OE2-NH1 3.27Å; E173-R176 IonicContact OE2-NH2 3.86Å; E173-R176 PolarHBondContact OE2-NH2 2.88Å; E173-I177 WeakPolarHBondContact O-CD1 3.35Å; E173-I177 VanDerWaalsContact O-CG1 3.25Å; E173-I177 WeakPolarHBondContact O-CG1 3.31Å; E173-I177 PolarHBondContact O-N 2.94Å; E173-S196 WeakPolarHBondContact CB-OG 3.25Å; E173-S196 VanDerWaalsContact CG-OG 3.3Å; E173-S196 WeakPolarHBondContact CG-OG 3.46Å; E173-S196 WeakPolarHBondContact OE2-CB 3.41Å; E173-S196 PolarHBondContact OE2-OG 3.05Å; E173-R197 IonicContact OE1-CZ 3.92Å; E173-R197 IonicContact OE1-NE 2.91Å; E173-R197 PolarHBondContact OE1-NE 3.07Å; E173-R197 IonicContact OE1-NH2 2.82Å; E173-R197 PolarHBondContact OE1-NH2 2.91Å; E173-R197 VanDerWaalsContact OE2-CG 3.26Å; E173-R197 WeakPolarHBondContact OE2-CG 3.17Å; E173-R197 IonicContact OE2-CZ 3.32Å; E173-R197 IonicContact OE2-NE 3.18Å; E173-R197 PolarHBondContact OE2-NE 3.07Å; E173-R197 IonicContact OE2-NH2 3.09Å
174K98.6Very high98.3Very high88 Ų8853.8 Ų53.838%0.38331%0.311SS..Hα-helixtrans-58.3-43.5176-175.1173.1-178.2-179.30111.6P168 N170 I177 Q178 V184P168-K174 WeakPolarHBondContact O-CB 3.39Å; N170-K174 WeakPolarHBondContact O-CB 3.4Å; N170-K174 PolarHBondContact O-N 3.42Å; K174-I177 PolarHBondContact O-N 3.18Å; K174-Q178 WeakPolarHBondContact O-CB 3.4Å; K174-Q178 VanDerWaalsContact O-CG 3.29Å; K174-Q178 WeakPolarHBondContact O-CG 3.33Å; K174-Q178 PolarHBondContact O-N 3.31Å; K174-V184 HydrophobicContact CB-CG2 4.41Å; K174-V184 HydrophobicContact CG-CG2 3.96Å
175Q98.5Very high98.2Very high96 Ų9653.6 Ų53.645%0.44931%0.306SS..Hα-helixtrans-63.4-45.5177.9-173.663.26400111.5P171 N172 E173 Q178 N179P171-Q175 WeakPolarHBondContact O-CB 3.22Å; P171-Q175 PolarHBondContact O-N 3Å; N172-Q175 PolarHBondContact O-N 3.05Å; E173-Q175 VanDerWaalsContact C-N 3.31Å; E173-Q175 PolarHBondContact O-N 3.26Å; Q175-Q178 PolarHBondContact O-N 3.16Å; Q175-N179 PolarHBondContact NE2-OD1 3.04Å; Q175-N179 WeakPolarHBondContact O-CB 3.37Å; Q175-N179 PolarHBondContact O-N 3.45Å; Q175-N179 PolarHBondContact O-OD1 2.79Å
176R98.6Very high98.1Very high32 Ų3259.5 Ų59.512%0.12134%0.336CS..Hα-helixtrans-58.2-49.8174.6-177.5-170.262-109.4-2.3111.1N172 E173 Q178 N179 A180 S196 T213 Q215N172-R176 PolarHBondContact O-N 3.32Å; E173-R176 PolarHBondContact O-N 3.35Å; E173-R176 IonicContact OE1-NH1 2.76Å; E173-R176 PolarHBondContact OE1-NH1 3.4Å; E173-R176 IonicContact OE2-CZ 2.67Å; E173-R176 VanDerWaalsContact OE2-CZ 3.26Å; E173-R176 IonicContact OE2-NH1 2.7Å; E173-R176 PolarHBondContact OE2-NH1 3.27Å; E173-R176 IonicContact OE2-NH2 3.86Å; E173-R176 PolarHBondContact OE2-NH2 2.88Å; R176-Q178 VanDerWaalsContact C-N 3.29Å; R176-Q178 PolarHBondContact O-N 2.96Å; R176-N179 PolarHBondContact O-N 3.27Å; R176-A180 WeakPolarHBondContact O-CB 3.28Å; R176-A180 PolarHBondContact O-N 3.24Å; R176-S196 PolarHBondContact NH2-O 2.93Å; R176-T213 WeakPolarHBondContact CD-O 3.41Å; R176-Q215 WeakPolarHBondContact CD-O 3.03Å; R176-Q215 PolarHBondContact NE-O 3.46Å
177I98.7Very high98Very high0 Ų066.1 Ų66.10%037%0.367CS..Hα-helixtrans-56.4-43.9179.8-69.9157.4000111.2P168 E173 K174 A180 G182 V184 V189 L216P168-I177 HydrophobicContact CB-CD1 3.95Å; E173-I177 WeakPolarHBondContact O-CD1 3.35Å; E173-I177 VanDerWaalsContact O-CG1 3.25Å; E173-I177 WeakPolarHBondContact O-CG1 3.31Å; E173-I177 PolarHBondContact O-N 2.94Å; K174-I177 PolarHBondContact O-N 3.18Å; I177-A180 PolarHBondContact O-N 2.6Å; I177-G182 WeakPolarHBondContact O-CA 3.35Å; I177-G182 PolarHBondContact O-N 3.26Å; I177-V184 HydrophobicContact CB-CG2 4.47Å; I177-V184 HydrophobicContact CD1-CG2 3.97Å; I177-V184 HydrophobicContact CG2-CG2 4.12Å; I177-V189 HydrophobicContact CD1-CG2 3.65Å; I177-V189 HydrophobicContact CG1-CG1 4.5Å; I177-V189 HydrophobicContact CG1-CG2 4.25Å; I177-V189 HydrophobicContact CG2-CG1 4.14Å; I177-L216 VanDerWaalsContact CG1-O 3.31Å; I177-L216 WeakPolarHBondContact CG1-O 3.23Å; I177-L216 HydrophobicContact CG2-CD2 4.18Å; I177-L216 WeakPolarHBondContact O-CD2 3.23Å
178Q98.2Very high98Very high92 Ų9267.6 Ų67.643%0.4337%0.371SS..Hα-helixtrans-68.5-41.3178.4-72.3175.4-27.800112.4K174 Q175 R176 A180 G181K174-Q178 WeakPolarHBondContact O-CB 3.4Å; K174-Q178 VanDerWaalsContact O-CG 3.29Å; K174-Q178 WeakPolarHBondContact O-CG 3.33Å; K174-Q178 PolarHBondContact O-N 3.31Å; Q175-Q178 PolarHBondContact O-N 3.16Å; R176-Q178 VanDerWaalsContact C-N 3.29Å; R176-Q178 PolarHBondContact O-N 2.96Å; Q178-A180 PolarHBondContact O-N 3.18Å; Q178-G181 PolarHBondContact O-N 3.43Å
179N98Very high98Very high113 Ų11367.6 Ų67.660%0.60437%0.371SS*.Hα-helixtrans-62.5-32.2175.2-69.6-7.3000111.8Q175 R176 G181Q175-N179 PolarHBondContact NE2-OD1 3.04Å; Q175-N179 WeakPolarHBondContact O-CB 3.37Å; Q175-N179 PolarHBondContact O-N 3.45Å; Q175-N179 PolarHBondContact O-OD1 2.79Å; R176-N179 PolarHBondContact O-N 3.27Å; N179-G181 PolarHBondContact O-N 2.81Å
180A98.1Very high98Very high18 Ų1867.7 Ų67.715%0.14937%0.369CS..THydrogen-bonded Turntrans-77.57.2173.400000114.5R176 I177 Q178 G182 L210 E214 L216R176-A180 WeakPolarHBondContact O-CB 3.28Å; R176-A180 PolarHBondContact O-N 3.24Å; I177-A180 PolarHBondContact O-N 2.6Å; Q178-A180 PolarHBondContact O-N 3.18Å; A180-G182 VanDerWaalsContact C-N 3.34Å; A180-L210 HydrophobicContact CB-CD1 3.78Å; A180-E214 WeakPolarHBondContact CB-O 3.47Å; A180-L216 HydrophobicContact CB-CD2 3.73Å; A180-L216 HydrophobicContact CB-CG 4.14Å
181G97.5Very high97.9Very high73 Ų7367.2 Ų67.275%0.75338%0.375SS*.THydrogen-bonded Turntrans81.310.2178.500000114.6Q178 N179Q178-G181 PolarHBondContact O-N 3.43Å; N179-G181 PolarHBondContact O-N 2.81Å
182G97.9Very high97.7Very high13 Ų1365.5 Ų65.513%0.13437%0.365CS..  trans-94.8-174.3177.700000114.2I177 A180 N190 L216I177-G182 WeakPolarHBondContact O-CA 3.35Å; I177-G182 PolarHBondContact O-N 3.26Å; A180-G182 VanDerWaalsContact C-N 3.34Å; G182-N190 WeakPolarHBondContact CA-OD1 3.49Å; G182-L216 VanDerWaalsContact CA-CD2 3.43Å
183S98Very high97.7Very high44 Ų4460 Ų6031%0.30834%0.336SS..  trans-141.9157.8178600000110.9I185 N190S183-I185 WeakPolarHBondContact OG-CD1 3.37Å; S183-N190 PolarHBondContact N-OD1 2.88Å; S183-N190 PolarHBondContact O-N 3.17Å; S183-N190 PolarHBondContact O-OD1 3.33Å; S183-N190 PolarHBondContact OG-OD1 2.8Å
184V98.2Very high97.6Very high33 Ų3361.2 Ų61.220%0.235%0.347CS..EExtended strand (participates in β ladder)trans-109.3109.9173179.90000107.8P168 V169 K174 I177 R188P168-V184 HydrophobicContact CB-CG1 3.88Å; P168-V184 HydrophobicContact CB-CG2 4.07Å; P168-V184 WeakPolarHBondContact O-CG2 3.14Å; V169-V184 HydrophobicContact CG1-CG1 4.11Å; K174-V184 HydrophobicContact CB-CG2 4.41Å; K174-V184 HydrophobicContact CG-CG2 3.96Å; I177-V184 HydrophobicContact CB-CG2 4.47Å; I177-V184 HydrophobicContact CD1-CG2 3.97Å; I177-V184 HydrophobicContact CG2-CG2 4.12Å; V184-R188 WeakPolarHBondContact CA-O 3.5Å
185I97.2Very high97.6Very high83 Ų8357.2 Ų57.243%0.42633%0.33SS..EExtended strand (participates in β ladder)trans-124.3125.3-174.3-60170.6000107.5S183 Q187 R188S183-I185 WeakPolarHBondContact OG-CD1 3.37Å; I185-Q187 PolarHBondContact O-N 3.11Å; I185-R188 PolarHBondContact N-O 2.94Å; I185-R188 PolarHBondContact O-N 3.39Å
186I95.6Very high97.6Very high149 Ų14952.7 Ų52.776%0.76431%0.309SS*.THydrogen-bonded Turntrans50.147.3-176.7-47.5163.8000110.6R188I186-R188 PolarHBondContact O-N 2.85Å
187Q96.7Very high97.6Very high141 Ų14152.5 Ų52.566%0.65931%0.308SS*.THydrogen-bonded Turntrans60.911.2-178.5-44.6-173.314.600115.9P168 V169 I185P168-Q187 WeakPolarHBondContact CG-O 3.36Å; V169-Q187 HydrophobicContact CG1-CB 3.69Å; V169-Q187 HydrophobicContact CG1-CG 3.8Å; I185-Q187 PolarHBondContact O-N 3.11Å
188R98.4Very high97.6Very high84 Ų8452.5 Ų52.532%0.31731%0.308SS..EExtended strand (participates in β ladder)trans-116.9147.9-177.8-69.9173.2173.8-86.9-10112V184 I185 I186 N190 G191 S192 L193 A194V184-R188 WeakPolarHBondContact CA-O 3.5Å; I185-R188 PolarHBondContact N-O 2.94Å; I185-R188 PolarHBondContact O-N 3.39Å; I186-R188 PolarHBondContact O-N 2.85Å; R188-N190 PolarHBondContact O-N 2.84Å; R188-G191 PolarHBondContact O-N 3.36Å; R188-S192 WeakPolarHBondContact CD-O 3.18Å; R188-S192 PolarHBondContact NH1-O 3.49Å; R188-L193 CarbonylContact C-O 3.57Å; R188-L193 WeakPolarHBondContact CA-O 3.33Å; R188-L193 VanDerWaalsContact CB-O 3.24Å; R188-L193 WeakPolarHBondContact CB-O 3.26Å; R188-A194 HydrophobicContact CG-CB 4.43Å
189V98.1Very high97.6Very high0 Ų048.1 Ų48.10%029%0.287CS..EExtended strand (participates in β ladder)trans-65118.4172.3-174.80000109.1P168 I177 G191 S192 L193 V195 F204 L216 I217P168-V189 HydrophobicContact CB-CG2 3.92Å; P168-V189 HydrophobicContact CG-CG2 3.58Å; I177-V189 HydrophobicContact CD1-CG2 3.65Å; I177-V189 HydrophobicContact CG1-CG1 4.5Å; I177-V189 HydrophobicContact CG1-CG2 4.25Å; I177-V189 HydrophobicContact CG2-CG1 4.14Å; V189-G191 PolarHBondContact O-N 3.03Å; V189-G191 VanDerWaalsContact O-N 3.07Å; V189-S192 PolarHBondContact O-N 2.95Å; V189-L193 HydrophobicContact CB-CB 4.48Å; V189-L193 PolarHBondContact N-O 3.31Å; V189-L193 PolarHBondContact O-N 2.87Å; V189-V195 WeakPolarHBondContact CG2-O 3.2Å; V189-F204 HydrophobicContact CG1-CD1 4.21Å; V189-F204 HydrophobicContact CG1-CE1 4.44Å; V189-L216 HydrophobicContact CG1-CB 4.05Å; V189-I217 HydrophobicContact CB-CD1 4.21Å; V189-I217 HydrophobicContact CG1-CD1 4.34Å; V189-I217 HydrophobicContact CG2-CD1 3.66Å
190N97.6Very high97.6Very high70 Ų7042.7 Ų42.737%0.37426%0.259SS..THydrogen-bonded Turntrans50.328.5-172.9-64-23.7000113.6G182 S183 R188 S192G182-N190 WeakPolarHBondContact CA-OD1 3.49Å; S183-N190 PolarHBondContact N-OD1 2.88Å; S183-N190 PolarHBondContact O-N 3.17Å; S183-N190 PolarHBondContact O-OD1 3.33Å; S183-N190 PolarHBondContact OG-OD1 2.8Å; R188-N190 PolarHBondContact O-N 2.84Å; N190-S192 PolarHBondContact O-N 3.46Å
191G96.5Very high97.6Very high35 Ų3542.3 Ų42.336%0.36125%0.254SS..THydrogen-bonded Turntrans75.22.5-175.900000115R188 V189R188-G191 PolarHBondContact O-N 3.36Å; V189-G191 PolarHBondContact O-N 3.03Å; V189-G191 VanDerWaalsContact O-N 3.07Å
192S95.5Very high97.7Very high70 Ų7040.1 Ų40.149%0.4922%0.223SC..THydrogen-bonded Turntrans-105.6-66.8-173.6-171.70000112.8R188 V189 N190R188-S192 WeakPolarHBondContact CD-O 3.18Å; R188-S192 PolarHBondContact NH1-O 3.49Å; V189-S192 PolarHBondContact O-N 2.95Å; N190-S192 PolarHBondContact O-N 3.46Å
193L96.4Very high97.6Very high20 Ų2044 Ų4411%0.10525%0.253CS..BIsolated β-bridgetrans-93.8134.4-168.7-163.262.7000112.2R188 V189 V195 D201 F204 I217R188-L193 CarbonylContact C-O 3.57Å; R188-L193 WeakPolarHBondContact CA-O 3.33Å; R188-L193 VanDerWaalsContact CB-O 3.24Å; R188-L193 WeakPolarHBondContact CB-O 3.26Å; V189-L193 HydrophobicContact CB-CB 4.48Å; V189-L193 PolarHBondContact N-O 3.31Å; V189-L193 PolarHBondContact O-N 2.87Å; L193-V195 HydrophobicContact CD1-CG2 4.26Å; L193-V195 HydrophobicContact CD2-CG2 3.68Å; L193-V195 HydrophobicContact CG-CG2 3.71Å; L193-D201 HydrophobicContact CD2-CB 4.46Å; L193-F204 HydrophobicContact CB-CZ 4.31Å; L193-I217 HydrophobicContact CD2-CD1 3.67Å; L193-I217 HydrophobicContact CD2-CG1 3.85Å
194A96.8Very high97.6Very high31 Ų3143.6 Ų43.626%0.25625%0.246SC..SBendtrans-82.5-16.5-176.900000114.1P168 R188P168-A194 WeakPolarHBondContact CD-O 3.3Å; R188-A194 HydrophobicContact CG-CB 4.43Å
195V98.3Very high97.6Very high5 Ų542.2 Ų42.23%0.0324%0.238CC..  trans-100.6150.7175.1-64.60000110.7T130 D148 V189 L193 I217T130-V195 HydrophobicContact CG2-CG1 4.18Å; D148-V195 HydrophobicContact CB-CG1 4.22Å; D148-V195 WeakPolarHBondContact OD1-CG1 3.41Å; D148-V195 WeakPolarHBondContact OD2-CG1 3.45Å; V189-V195 WeakPolarHBondContact CG2-O 3.2Å; L193-V195 HydrophobicContact CD1-CG2 4.26Å; L193-V195 HydrophobicContact CD2-CG2 3.68Å; L193-V195 HydrophobicContact CG-CG2 3.71Å; V195-I217 WeakPolarHBondContact O-CD1 3.32Å
196S98.6Very high97.4Very high0 Ų041.8 Ų41.80%025%0.246CC..SBendtrans-98.8-13.7171.161.80000113H166 E173 R176 I217 S218H166-S196 VanDerWaalsContact C-OG 3.24Å; H166-S196 PolarHBondContact O-N 2.76Å; H166-S196 PolarHBondContact O-OG 3.48Å; H166-S196 VanDerWaalsContact O-OG 3.09Å; E173-S196 WeakPolarHBondContact CB-OG 3.25Å; E173-S196 VanDerWaalsContact CG-OG 3.3Å; E173-S196 WeakPolarHBondContact CG-OG 3.46Å; E173-S196 WeakPolarHBondContact OE2-CB 3.41Å; E173-S196 PolarHBondContact OE2-OG 3.05Å; R176-S196 PolarHBondContact NH2-O 2.93Å; S196-I217 WeakPolarHBondContact O-CA 3.35Å; S196-S218 PolarHBondContact O-N 3.39Å
197R98.8Very high97.4Very high28 Ų2836.3 Ų36.311%0.10622%0.223CC..BIsolated β-bridgetrans-135.6140.2177.6-57.3-162.1-163.9174.613.5110.6G147 H166 E173 S218 E220 E222G147-R197 WeakPolarHBondContact CA-O 3.43Å; H166-R197 HydrophobicContact CB-CB 3.97Å; H166-R197 HydrophobicContact CB-CG 3.87Å; H166-R197 PolarHBondContact CD2-NE 2.81Å; H166-R197 VanDerWaalsContact NE2-CZ 3.26Å; H166-R197 PolarHBondContact NE2-NH2 2.8Å; E173-R197 IonicContact OE1-CZ 3.92Å; E173-R197 IonicContact OE1-NE 2.91Å; E173-R197 PolarHBondContact OE1-NE 3.07Å; E173-R197 IonicContact OE1-NH2 2.82Å; E173-R197 PolarHBondContact OE1-NH2 2.91Å; E173-R197 VanDerWaalsContact OE2-CG 3.26Å; E173-R197 WeakPolarHBondContact OE2-CG 3.17Å; E173-R197 IonicContact OE2-CZ 3.32Å; E173-R197 IonicContact OE2-NE 3.18Å; E173-R197 PolarHBondContact OE2-NE 3.07Å; E173-R197 IonicContact OE2-NH2 3.09Å; R197-S218 CarbonylContact C-O 3.57Å; R197-S218 WeakPolarHBondContact CA-O 3.12Å; R197-S218 WeakPolarHBondContact CB-O 3.41Å; R197-E220 VanDerWaalsContact CD-O 3.32Å; R197-E220 WeakPolarHBondContact CD-O 3.41Å; R197-E220 PolarHBondContact NH1-O 3.23Å; R197-E222 IonicContact NH2-OE2 2.7Å
198S98.8Very high97.2Very high0 Ų039.2 Ų39.20%023%0.234CC..  trans-172.9158.8177.252.60000110S129 D201 K205 I217 S218 P219S129-S198 CarbonylContact O-C 3.53Å; S129-S198 VanDerWaalsContact O-CA 3.3Å; S129-S198 WeakPolarHBondContact O-CA 3.1Å; S129-S198 WeakPolarHBondContact O-CB 3.2Å; S198-D201 WeakPolarHBondContact CB-OD2 3.29Å; S198-D201 PolarHBondContact OG-OD2 2.83Å; S198-K205 PolarHBondContact O-NZ 2.85Å; S198-I217 WeakPolarHBondContact OG-CG2 3.22Å; S198-S218 PolarHBondContact N-O 3.18Å; S198-P219 WeakPolarHBondContact O-CA 3.21Å
199L98.9Very high97.1Very high0 Ų042.8 Ų42.80%026%0.259CS..EExtended strand (participates in β ladder)trans-80.5154.2161.1-63.1100.5000109.5V67 F107 L110 D111 G128 S129 A131V67-L199 HydrophobicContact CG1-CB 3.96Å; F107-L199 HydrophobicContact CD1-CD1 4.12Å; F107-L199 HydrophobicContact CE1-CD1 4.24Å; L110-L199 HydrophobicContact CB-CD2 4.24Å; L110-L199 HydrophobicContact CD2-CD2 3.79Å; L110-L199 HydrophobicContact CG-CD2 4.04Å; D111-L199 HydrophobicContact CB-CD2 4.29Å; D111-L199 WeakPolarHBondContact OD1-CA 3.47Å; G128-L199 CarbonylContact C-O 3.55Å; G128-L199 WeakPolarHBondContact CA-O 3.27Å; S129-L199 PolarHBondContact N-O 2.67Å; S129-L199 PolarHBondContact O-N 2.91Å; A131-L199 HydrophobicContact CB-CD1 3.6Å
200G98.7Very high97.1Very high0 Ų045.3 Ų45.30%027%0.272CS..EExtended strand (participates in β ladder)trans78.7-138.6-175.400000112.4D111 Y202 K205D111-G200 PolarHBondContact OD1-N 2.95Å; G200-Y202 PolarHBondContact O-N 3.35Å; G200-Y202 VanDerWaalsContact O-N 3.16Å; G200-K205 WeakPolarHBondContact O-CD 3.3Å; G200-K205 WeakPolarHBondContact O-CE 3.19Å; G200-K205 PolarHBondContact O-NZ 3.25Å
201D98.2Very high97.1Very high9 Ų943.1 Ų43.15%0.04827%0.266CS..  trans5336.9177.1-71.7-57.3000114.1H62 S127 L193 S198 A203 F204 I217H62-D201 IonicContact CD2-OD1 3.23Å; H62-D201 IonicContact CE1-OD2 2.99Å; H62-D201 PolarHBondContact CE1-OD2 2.69Å; H62-D201 IonicContact NE2-OD1 3Å; H62-D201 PolarHBondContact NE2-OD1 3.04Å; H62-D201 IonicContact NE2-OD2 3.49Å; H62-D201 PolarHBondContact NE2-OD2 3.38Å; S127-D201 PolarHBondContact O-N 2.86Å; L193-D201 HydrophobicContact CD2-CB 4.46Å; S198-D201 WeakPolarHBondContact CB-OD2 3.29Å; S198-D201 PolarHBondContact OG-OD2 2.83Å; D201-A203 PolarHBondContact O-N 3.07Å; D201-F204 HydrophobicContact CB-CD2 4.1Å; D201-F204 WeakPolarHBondContact O-CB 3.41Å; D201-F204 PolarHBondContact O-N 3.18Å; D201-I217 HydrophobicContact CB-CG2 4.25Å
202Y98.1Very high97.1Very high28 Ų2845 Ų4511%0.1127%0.273CS..G310 helixtrans-62.7-20.1-166.9-61.4-59.4000115.5D111 L114 R115 L120 G200 F204 K205D111-Y202 WeakPolarHBondContact O-CE1 3.41Å; D111-Y202 PolarHBondContact O-OH 2.8Å; L114-Y202 VanDerWaalsContact C-OH 3.29Å; L114-Y202 WeakPolarHBondContact CB-OH 3.14Å; R115-Y202 VanDerWaalsContact CA-CE2 3.47Å; R115-Y202 HydrophobicContact CB-CD1 4.06Å; R115-Y202 HydrophobicContact CB-CD2 4.49Å; R115-Y202 HydrophobicContact CB-CE1 3.62Å; R115-Y202 HydrophobicContact CB-CE2 4.11Å; R115-Y202 HydrophobicContact CB-CG 4.47Å; R115-Y202 HydrophobicContact CG-CD1 3.98Å; R115-Y202 HydrophobicContact CG-CE1 4.08Å; R115-Y202 HydrophobicContact CG-CG 4.21Å; R115-Y202 VanDerWaalsContact CZ-CD1 3.41Å; R115-Y202 VanDerWaalsContact N-CZ 3.34Å; R115-Y202 PolarHBondContact N-OH 2.95Å; L120-Y202 HydrophobicContact CB-CD2 4.12Å; L120-Y202 HydrophobicContact CB-CE2 3.97Å; L120-Y202 HydrophobicContact CD1-CE2 4.06Å; L120-Y202 HydrophobicContact CD2-CD2 4.48Å; L120-Y202 HydrophobicContact CD2-CE2 4.28Å; L120-Y202 HydrophobicContact CG-CE2 4.31Å; G200-Y202 PolarHBondContact O-N 3.35Å; G200-Y202 VanDerWaalsContact O-N 3.16Å; Y202-F204 PolarHBondContact O-N 3.39Å; Y202-K205 HydrophobicContact CD1-CD 4.16Å; Y202-K205 HydrophobicContact CE1-CD 4.46Å; Y202-K205 CarbonylContact O-C 3.49Å; Y202-K205 PolarHBondContact O-N 3.24Å
203A96.2Very high97.2Very high93 Ų9343 Ų4377%0.76926%0.257SS*.G310 helixtrans-59.1-25.2170.400000112.7D201D201-A203 PolarHBondContact O-N 3.07Å
204F97.9Very high97.3Very high36 Ų3647 Ų4716%0.15828%0.275CS..G310 helixtrans-96.10.7176.8-61.2-88.7000113.4V189 L193 D201 Y202 L216 I217V189-F204 HydrophobicContact CG1-CD1 4.21Å; V189-F204 HydrophobicContact CG1-CE1 4.44Å; L193-F204 HydrophobicContact CB-CZ 4.31Å; D201-F204 HydrophobicContact CB-CD2 4.1Å; D201-F204 WeakPolarHBondContact O-CB 3.41Å; D201-F204 PolarHBondContact O-N 3.18Å; Y202-F204 PolarHBondContact O-N 3.39Å; F204-L216 HydrophobicContact CB-CB 4.16Å; F204-L216 HydrophobicContact CD1-CB 4.49Å; F204-L216 HydrophobicContact CD1-CD1 4.19Å; F204-L216 WeakPolarHBondContact O-CB 3.3Å; F204-L216 PolarHBondContact O-N 3.05Å; F204-I217 HydrophobicContact CB-CB 3.9Å; F204-I217 HydrophobicContact CB-CG1 3.47Å; F204-I217 VanDerWaalsContact CB-CG1 3.47Å; F204-I217 HydrophobicContact CD1-CG1 4.25Å; F204-I217 HydrophobicContact CD2-CG1 4.42Å; F204-I217 HydrophobicContact CG-CG1 3.82Å
205K97.4Very high97.4Very high5 Ų545.9 Ų45.92%0.02227%0.265CS..SBendtrans-124.646-175.5-58.1178.7179.8167.60112.2D111 R115 S198 G200 Y202 Q215 I217D111-K205 IonicContact OD1-NZ 2.77Å; D111-K205 PolarHBondContact OD1-NZ 3.07Å; D111-K205 IonicContact OD2-NZ 2.81Å; D111-K205 PolarHBondContact OD2-NZ 2.62Å; R115-K205 PolarHBondContact NH1-O 3.21Å; R115-K205 VanDerWaalsContact NH2-CB 3.26Å; R115-K205 PolarHBondContact NH2-O 3.39Å; R115-K205 VanDerWaalsContact NH2-O 3.16Å; S198-K205 PolarHBondContact O-NZ 2.85Å; G200-K205 WeakPolarHBondContact O-CD 3.3Å; G200-K205 WeakPolarHBondContact O-CE 3.19Å; G200-K205 PolarHBondContact O-NZ 3.25Å; Y202-K205 HydrophobicContact CD1-CD 4.16Å; Y202-K205 HydrophobicContact CE1-CD 4.46Å; Y202-K205 CarbonylContact O-C 3.49Å; Y202-K205 PolarHBondContact O-N 3.24Å; K205-Q215 HydrophobicContact CB-CB 4.23Å; K205-Q215 HydrophobicContact CB-CG 4.01Å; K205-Q215 HydrophobicContact CG-CB 4.1Å; K205-Q215 HydrophobicContact CG-CG 4.29Å; K205-I217 VanDerWaalsContact CE-O 3.23Å; K205-I217 WeakPolarHBondContact CE-O 3.28Å; K205-I217 WeakPolarHBondContact CG-O 3.47Å
206A94.4Very high97.4Very high73 Ų7346.8 Ų46.860%0.60327%0.269SS*.  trans-123.310.2-172.900000114.1K208 Q215A206-K208 PolarHBondContact O-N 3.29Å; A206-Q215 VanDerWaalsContact N-OE1 3.16Å
207A95.9Very high97.4Very high34 Ų3446.8 Ų46.828%0.28127%0.269SS..  trans-70.5117174.300000109.6D209 L210 Q215A207-D209 PolarHBondContact O-N 2.79Å; A207-L210 HydrophobicContact CB-CB 4.15Å; A207-L210 HydrophobicContact CB-CD1 3.73Å; A207-L210 HydrophobicContact CB-CG 4.09Å; A207-Q215 PolarHBondContact O-NE2 3.48Å; A207-Q215 VanDerWaalsContact O-NE2 3.16Å
208K92.5Very high97.4Very high202 Ų20245.5 Ų45.588%0.87827%0.265SS*.THydrogen-bonded Turntrans-68.2-32.4-169.8-67-176.3179.2-179.80114.4A206A206-K208 PolarHBondContact O-N 3.29Å
209D95.3Very high97.4Very high159 Ų15945.6 Ų45.685%0.8527%0.265SS*.THydrogen-bonded Turntrans-95.27.9-173.2-56.2-48.3000112.9A207A207-D209 PolarHBondContact O-N 2.79Å
210L97.6Very high97.4Very high53 Ų5347.9 Ų47.928%0.27728%0.276SS..SBendtrans-119.7144.8-174.2-62.8-178.9000111A180 A207 E214 Q215A180-L210 HydrophobicContact CB-CD1 3.78Å; A207-L210 HydrophobicContact CB-CB 4.15Å; A207-L210 HydrophobicContact CB-CD1 3.73Å; A207-L210 HydrophobicContact CB-CG 4.09Å; L210-E214 HydrophobicContact CB-CB 3.99Å; L210-E214 WeakPolarHBondContact CD1-O 3.19Å; L210-E214 HydrophobicContact CD2-CB 4.39Å; L210-Q215 PolarHBondContact O-NE2 2.93Å; L210-Q215 VanDerWaalsContact O-NE2 3.11Å
211G97.8Very high97.4Very high24 Ų2448.2 Ų48.225%0.24728%0.278CS..  trans-64.4169.2172.300000112.7T213 E214 Q215G211-T213 PolarHBondContact O-N 2.97Å; G211-E214 PolarHBondContact N-OE2 2.67Å; G211-E214 PolarHBondContact O-N 3.23Å; G211-Q215 WeakPolarHBondContact O-CG 3.33Å; G211-Q215 PolarHBondContact O-NE2 3.15Å
212P97.3Very high97.4Very high76 Ų7651.9 Ų51.949%0.49430%0.295SS..THydrogen-bonded Turntrans-60.4-28.6-179.223.3-33.3000113.3Q215 P219P212-Q215 WeakPolarHBondContact O-CG 3.12Å; P212-P219 WeakPolarHBondContact O-CD 3.38Å
213T98.2Very high97.5Very high28 Ų2852 Ų5217%0.17230%0.297CS..THydrogen-bonded Turntrans-93.7-5.5-177.669.30000113.9L108 R176 G211 S218 E220L108-T213 HydrophobicContact CD1-CG2 4.17Å; L108-T213 HydrophobicContact CD2-CG2 3.8Å; R176-T213 WeakPolarHBondContact CD-O 3.41Å; G211-T213 PolarHBondContact O-N 2.97Å; T213-S218 WeakPolarHBondContact CA-OG 3.29Å; T213-S218 PolarHBondContact O-OG 3.38Å; T213-E220 VanDerWaalsContact CB-OE2 3.27Å; T213-E220 WeakPolarHBondContact CB-OE2 3.47Å; T213-E220 HydrophobicContact CG2-CB 3.71Å; T213-E220 HydrophobicContact CG2-CG 4.1Å
214E98.4Very high97.6Very high102 Ų10249.8 Ų49.848%0.47727%0.274SS..SBendtrans-101.76.4-178-63.8177.5122.200112.3A180 L210 G211A180-E214 WeakPolarHBondContact CB-O 3.47Å; L210-E214 HydrophobicContact CB-CB 3.99Å; L210-E214 WeakPolarHBondContact CD1-O 3.19Å; L210-E214 HydrophobicContact CD2-CB 4.39Å; G211-E214 PolarHBondContact N-OE2 2.67Å; G211-E214 PolarHBondContact O-N 3.23Å
215Q98.6Very high97.6Very high9 Ų950 Ų504%0.04228%0.278CS..SBendtrans-73.2172.6-179.7-58.6-64.4-4200112R176 K205 A206 A207 L210 G211 P212 I217R176-Q215 WeakPolarHBondContact CD-O 3.03Å; R176-Q215 PolarHBondContact NE-O 3.46Å; K205-Q215 HydrophobicContact CB-CB 4.23Å; K205-Q215 HydrophobicContact CB-CG 4.01Å; K205-Q215 HydrophobicContact CG-CB 4.1Å; K205-Q215 HydrophobicContact CG-CG 4.29Å; A206-Q215 VanDerWaalsContact N-OE1 3.16Å; A207-Q215 PolarHBondContact O-NE2 3.48Å; A207-Q215 VanDerWaalsContact O-NE2 3.16Å; L210-Q215 PolarHBondContact O-NE2 2.93Å; L210-Q215 VanDerWaalsContact O-NE2 3.11Å; G211-Q215 WeakPolarHBondContact O-CG 3.33Å; G211-Q215 PolarHBondContact O-NE2 3.15Å; P212-Q215 WeakPolarHBondContact O-CG 3.12Å; Q215-I217 WeakPolarHBondContact CB-O 3.43Å; Q215-I217 PolarHBondContact O-N 3.29Å
216L98.4Very high97.7Very high24 Ų2450.9 Ų50.913%0.12628%0.284CS..SBendtrans-56.2-40.9174-62.1172.9000111I177 A180 G182 V189 F204I177-L216 VanDerWaalsContact CG1-O 3.31Å; I177-L216 WeakPolarHBondContact CG1-O 3.23Å; I177-L216 HydrophobicContact CG2-CD2 4.18Å; I177-L216 WeakPolarHBondContact O-CD2 3.23Å; A180-L216 HydrophobicContact CB-CD2 3.73Å; A180-L216 HydrophobicContact CB-CG 4.14Å; G182-L216 VanDerWaalsContact CA-CD2 3.43Å; V189-L216 HydrophobicContact CG1-CB 4.05Å; F204-L216 HydrophobicContact CB-CB 4.16Å; F204-L216 HydrophobicContact CD1-CB 4.49Å; F204-L216 HydrophobicContact CD1-CD1 4.19Å; F204-L216 WeakPolarHBondContact O-CB 3.3Å; F204-L216 PolarHBondContact O-N 3.05Å
217I98.6Very high97.8Very high0 Ų052.6 Ų52.60%028%0.283CS..SBendtrans-117.8119.1174.7-62.8-58.7000108.4V189 L193 V195 S196 S198 D201 F204 K205 Q215V189-I217 HydrophobicContact CB-CD1 4.21Å; V189-I217 HydrophobicContact CG1-CD1 4.34Å; V189-I217 HydrophobicContact CG2-CD1 3.66Å; L193-I217 HydrophobicContact CD2-CD1 3.67Å; L193-I217 HydrophobicContact CD2-CG1 3.85Å; V195-I217 WeakPolarHBondContact O-CD1 3.32Å; S196-I217 WeakPolarHBondContact O-CA 3.35Å; S198-I217 WeakPolarHBondContact OG-CG2 3.22Å; D201-I217 HydrophobicContact CB-CG2 4.25Å; F204-I217 HydrophobicContact CB-CB 3.9Å; F204-I217 HydrophobicContact CB-CG1 3.47Å; F204-I217 VanDerWaalsContact CB-CG1 3.47Å; F204-I217 HydrophobicContact CD1-CG1 4.25Å; F204-I217 HydrophobicContact CD2-CG1 4.42Å; F204-I217 HydrophobicContact CG-CG1 3.82Å; K205-I217 VanDerWaalsContact CE-O 3.23Å; K205-I217 WeakPolarHBondContact CE-O 3.28Å; K205-I217 WeakPolarHBondContact CG-O 3.47Å; Q215-I217 WeakPolarHBondContact CB-O 3.43Å; Q215-I217 PolarHBondContact O-N 3.29Å
218S98.8Very high97.9Very high1 Ų153.3 Ų53.31%0.00728%0.279CS..BIsolated β-bridgetrans-93.5134.9-179.2-178.10000110.9S196 R197 S198 T213 E220S196-S218 PolarHBondContact O-N 3.39Å; R197-S218 CarbonylContact C-O 3.57Å; R197-S218 WeakPolarHBondContact CA-O 3.12Å; R197-S218 WeakPolarHBondContact CB-O 3.41Å; S198-S218 PolarHBondContact N-O 3.18Å; T213-S218 WeakPolarHBondContact CA-OG 3.29Å; T213-S218 PolarHBondContact O-OG 3.38Å; S218-E220 VanDerWaalsContact C-N 3.25Å; S218-E220 VanDerWaalsContact OG-CB 3.28Å; S218-E220 WeakPolarHBondContact OG-CB 3.49Å; S218-E220 PolarHBondContact OG-N 3.3Å; S218-E220 VanDerWaalsContact OG-N 3.12Å
219P98.8Very high98.2Very high1 Ų146.1 Ų46.11%0.00625%0.25CC..  trans-82.5-1.6168.434.1-33.4000113.1L108 D111 C146 S198 P212 P221L108-P219 HydrophobicContact CD2-CB 4.41Å; L108-P219 HydrophobicContact CD2-CG 3.77Å; D111-P219 HydrophobicContact CB-CB 3.7Å; D111-P219 HydrophobicContact CB-CG 4.2Å; D111-P219 VanDerWaalsContact CG-CB 3.48Å; D111-P219 WeakPolarHBondContact OD2-CB 3.06Å; D111-P219 WeakPolarHBondContact OD2-CG 3.31Å; C146-P219 PolarHBondContact SG-O 3.16Å; S198-P219 WeakPolarHBondContact O-CA 3.21Å; P212-P219 WeakPolarHBondContact O-CD 3.38Å; P219-P221 WeakPolarHBondContact O-CD 3.45Å
220E98.8Very high98.2Very high48 Ų4845.5 Ų45.522%0.22424%0.239CC..PPolyproline II helixtrans-75119.4-174.7-171171.3-140.100111.8R104 L108 R197 T213 S218R104-E220 HydrophobicContact CG-CG 4.43Å; R104-E220 IonicContact CZ-OE1 2.84Å; R104-E220 IonicContact NE-OE1 3.16Å; R104-E220 PolarHBondContact NE-OE1 3.37Å; R104-E220 IonicContact NH2-OE1 2.79Å; R104-E220 PolarHBondContact NH2-OE1 2.8Å; L108-E220 HydrophobicContact CD2-CB 4.49Å; R197-E220 VanDerWaalsContact CD-O 3.32Å; R197-E220 WeakPolarHBondContact CD-O 3.41Å; R197-E220 PolarHBondContact NH1-O 3.23Å; T213-E220 VanDerWaalsContact CB-OE2 3.27Å; T213-E220 WeakPolarHBondContact CB-OE2 3.47Å; T213-E220 HydrophobicContact CG2-CB 3.71Å; T213-E220 HydrophobicContact CG2-CG 4.1Å; S218-E220 VanDerWaalsContact C-N 3.25Å; S218-E220 VanDerWaalsContact OG-CB 3.28Å; S218-E220 WeakPolarHBondContact OG-CB 3.49Å; S218-E220 PolarHBondContact OG-N 3.3Å; S218-E220 VanDerWaalsContact OG-N 3.12Å
221P98.8Very high98.2Very high8 Ų849.5 Ų49.55%0.05226%0.261CS..PPolyproline II helixtrans-71.8146.6176.231.7-35.4000110.7F107 A144 N145 C146 P219 I223F107-P221 HydrophobicContact CB-CG 3.99Å; F107-P221 HydrophobicContact CD1-CB 3.91Å; F107-P221 HydrophobicContact CD1-CG 3.85Å; F107-P221 HydrophobicContact CD2-CB 4.36Å; F107-P221 HydrophobicContact CD2-CG 3.8Å; F107-P221 HydrophobicContact CE1-CB 3.84Å; F107-P221 HydrophobicContact CE1-CG 4.22Å; F107-P221 HydrophobicContact CE2-CB 4.29Å; F107-P221 HydrophobicContact CE2-CG 4.18Å; F107-P221 HydrophobicContact CG-CB 4.17Å; F107-P221 HydrophobicContact CG-CG 3.62Å; F107-P221 HydrophobicContact CZ-CB 4.03Å; F107-P221 HydrophobicContact CZ-CG 4.37Å; A144-P221 HydrophobicContact CB-CB 4.19Å; N145-P221 CarbonylContact O-C 3.58Å; N145-P221 VanDerWaalsContact O-CA 3.22Å; N145-P221 WeakPolarHBondContact O-CA 3.42Å; C146-P221 HydrophobicContact CB-CB 4.33Å; P219-P221 WeakPolarHBondContact O-CD 3.45Å; P221-I223 HydrophobicContact CB-CG1 4.34Å; P221-I223 HydrophobicContact CG-CD1 4.23Å; P221-I223 HydrophobicContact CG-CG1 4.18Å
222E98.7Very high98.3Very high85 Ų8551.3 Ų51.340%0.39727%0.265SS..EExtended strand (participates in β ladder)trans-84.2124.4159.5-172.9164.7140.700108.7A144 N145 H166 R197A144-E222 WeakPolarHBondContact CA-O 3.26Å; N145-E222 PolarHBondContact N-O 2.99Å; N145-E222 PolarHBondContact O-N 3.15Å; H166-E222 IonicContact NE2-OE2 3Å; H166-E222 PolarHBondContact NE2-OE2 2.55Å; R197-E222 IonicContact NH2-OE2 2.7Å
223I98.8Very high98.3Very high32 Ų3247.7 Ų47.716%0.16424%0.241CC..EExtended strand (participates in β ladder)trans-111.3130.7-175.8-56.1165000108.9E100 I103 R104 F143 A144 P221E100-I223 HydrophobicContact CB-CD1 4.49Å; E100-I223 HydrophobicContact CB-CG2 4.38Å; E100-I223 HydrophobicContact CG-CG2 3.87Å; E100-I223 WeakPolarHBondContact O-CD1 3.2Å; I103-I223 HydrophobicContact CB-CD1 3.88Å; I103-I223 HydrophobicContact CG2-CD1 3.76Å; I103-I223 HydrophobicContact CG2-CG1 4.2Å; R104-I223 HydrophobicContact CB-CD1 3.98Å; F143-I223 CarbonylContact O-C 3.53Å; F143-I223 VanDerWaalsContact O-CA 3.24Å; F143-I223 WeakPolarHBondContact O-CA 3.42Å; A144-I223 HydrophobicContact CB-CG1 4.03Å; P221-I223 HydrophobicContact CB-CG1 4.34Å; P221-I223 HydrophobicContact CG-CD1 4.23Å; P221-I223 HydrophobicContact CG-CG1 4.18Å
224T98.7Very high98.4Very high46 Ų4647.6 Ų47.628%0.28224%0.239SC..EExtended strand (participates in β ladder)trans-128.7132.2172.1-600000109.9F143 F161 V226F143-T224 PolarHBondContact N-O 2.78Å; F143-T224 PolarHBondContact O-N 2.86Å; F161-T224 HydrophobicContact CD2-CG2 4.39Å; F161-T224 HydrophobicContact CE2-CG2 3.55Å; F161-T224 HydrophobicContact CZ-CG2 3.76Å; T224-V226 HydrophobicContact CG2-CG2 4.43Å
225V98.6Very high98.4Very high39 Ų3942.8 Ų42.824%0.23622%0.216CC..EExtended strand (participates in β ladder)trans-102.4130177.4-167.10000109.7L96 E100 H140 I141 F142L96-V225 HydrophobicContact CD1-CG1 4.37Å; L96-V225 HydrophobicContact CD2-CG1 4.21Å; E100-V225 HydrophobicContact CG-CG2 3.76Å; H140-V225 HydrophobicContact CB-CG1 3.97Å; I141-V225 WeakPolarHBondContact O-CA 3.5Å; F142-V225 HydrophobicContact CD1-CB 4.36Å; F142-V225 HydrophobicContact CD1-CG1 4.13Å; F142-V225 HydrophobicContact CD1-CG2 3.5Å; F142-V225 VanDerWaalsContact CD1-CG2 3.5Å; F142-V225 HydrophobicContact CE1-CB 4.35Å; F142-V225 HydrophobicContact CE1-CG1 3.86Å; F142-V225 HydrophobicContact CE1-CG2 3.52Å; F142-V225 HydrophobicContact CG-CG2 4.46Å; F142-V225 HydrophobicContact CZ-CG1 4.07Å
226V98.4Very high98.4Very high25 Ų2542.3 Ų42.315%0.15221%0.214CC..EExtended strand (participates in β ladder)trans-121.2130.6175.3179.90000109.3H140 I141 F143 L153 F161 T224 R228H140-V226 CarbonylContact C-O 3.53Å; H140-V226 WeakPolarHBondContact CA-O 3.1Å; I141-V226 PolarHBondContact N-O 3.35Å; I141-V226 PolarHBondContact O-N 2.91Å; F143-V226 HydrophobicContact CD2-CG2 4.15Å; F143-V226 HydrophobicContact CE2-CB 4.23Å; F143-V226 HydrophobicContact CE2-CG2 3.93Å; L153-V226 HydrophobicContact CD2-CG1 3.94Å; F161-V226 HydrophobicContact CD2-CG2 4.37Å; F161-V226 HydrophobicContact CG-CG2 4.2Å; T224-V226 HydrophobicContact CG2-CG2 4.43Å; V226-R228 PolarHBondContact O-N 3.32Å
227D98Very high98.4Very high108 Ų10841.2 Ų41.258%0.57821%0.208SC*.EExtended strand (participates in β ladder)trans-64.8130.4171.3-69.1-34.6000110.2H140 R155H140-D227 IonicContact CD2-OD1 2.91Å; H140-D227 PolarHBondContact CD2-OD1 2.86Å; H140-D227 IonicContact NE2-OD1 2.75Å; H140-D227 PolarHBondContact NE2-OD1 3.27Å; R155-D227 PolarHBondContact NH2-O 2.68Å
228R97.7Very high98.4Very high50 Ų5041.2 Ų41.219%0.18921%0.208CC..  trans-70.8139.1174.2-73-17666.3-174.3-2.3110.5T137 K139 I141 V226 D233T137-R228 WeakPolarHBondContact O-CD 3.38Å; T137-R228 PolarHBondContact O-NH1 3.03Å; K139-R228 WeakPolarHBondContact O-CB 3.3Å; K139-R228 PolarHBondContact O-N 2.94Å; I141-R228 HydrophobicContact CD1-CG 3.82Å; I141-R228 HydrophobicContact CG1-CG 3.63Å; V226-R228 PolarHBondContact O-N 3.32Å; R228-D233 VanDerWaalsContact CA-OD2 3.27Å; R228-D233 WeakPolarHBondContact CA-OD2 3.35Å
229D98Very high98.5Very high50 Ų5041.1 Ų41.127%0.26721%0.208SC..  trans-117.4105.5167.8-168.2-44.5000108.2D231 L232 D233D229-D231 PolarHBondContact O-N 2.69Å; D229-D231 PolarHBondContact OD1-N 3.35Å; D229-L232 HydrophobicContact CB-CB 4.04Å; D229-L232 HydrophobicContact CB-CG 4.5Å; D229-L232 PolarHBondContact O-N 2.87Å; D229-L232 WeakPolarHBondContact OD1-CG 3.43Å; D229-L232 PolarHBondContact OD1-N 3.45Å; D229-L232 VanDerWaalsContact OD1-N 3.12Å; D229-L232 VanDerWaalsContact OD2-CD1 3.3Å; D229-L232 WeakPolarHBondContact OD2-CD1 3.37Å; D229-D233 PolarHBondContact N-OD2 3.44Å; D229-D233 VanDerWaalsContact O-CB 3.24Å; D229-D233 WeakPolarHBondContact O-CB 3.28Å; D229-D233 VanDerWaalsContact O-CG 3.3Å; D229-D233 PolarHBondContact O-N 3.25Å
230K96.5Very high98.5Very high146 Ų14641.1 Ų41.164%0.63521%0.208SC*.THydrogen-bonded Turntrans-64.3-23-174.7-69.3-172.8177.9-173.70113.6P295K230-P295 WeakPolarHBondContact O-CG 3.2Å
231D97.7Very high98.4Very high138 Ų13839.9 Ų39.974%0.73820%0.203SC*.THydrogen-bonded Turntrans-95.8-17.1-177-60.7-44.2000111.6D229D229-D231 PolarHBondContact O-N 2.69Å; D229-D231 PolarHBondContact OD1-N 3.35Å
232L98.4Very high98.4Very high61 Ų6139.6 Ų39.632%0.31920%0.201SC..THydrogen-bonded Turntrans-120.2-27-173.2-55.4-175.6000115.2R155 K156 D229 E234R155-L232 WeakPolarHBondContact CA-O 3.49Å; R155-L232 HydrophobicContact CG-CB 3.6Å; R155-L232 VanDerWaalsContact CG-O 3.32Å; R155-L232 WeakPolarHBondContact CG-O 3.48Å; K156-L232 HydrophobicContact CD-CD2 4.41Å; K156-L232 PolarHBondContact N-O 3.29Å; D229-L232 HydrophobicContact CB-CB 4.04Å; D229-L232 HydrophobicContact CB-CG 4.5Å; D229-L232 PolarHBondContact O-N 2.87Å; D229-L232 WeakPolarHBondContact OD1-CG 3.43Å; D229-L232 PolarHBondContact OD1-N 3.45Å; D229-L232 VanDerWaalsContact OD1-N 3.12Å; D229-L232 VanDerWaalsContact OD2-CD1 3.3Å; D229-L232 WeakPolarHBondContact OD2-CD1 3.37Å; L232-E234 PolarHBondContact O-N 3.09Å
233D98.7Very high98.4Very high1 Ų135.5 Ų35.51%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-67.5122.7178.3-74.2-27.2000110R155 R228 D229 F293 P295R155-D233 IonicContact CZ-OD1 3.47Å; R155-D233 IonicContact NE-OD1 3.25Å; R155-D233 PolarHBondContact NE-OD1 2.78Å; R155-D233 IonicContact NH2-OD1 3.12Å; R155-D233 PolarHBondContact NH2-OD1 2.82Å; R155-D233 IonicContact NH2-OD2 2.69Å; R155-D233 PolarHBondContact NH2-OD2 2.94Å; R228-D233 VanDerWaalsContact CA-OD2 3.27Å; R228-D233 WeakPolarHBondContact CA-OD2 3.35Å; D229-D233 PolarHBondContact N-OD2 3.44Å; D229-D233 VanDerWaalsContact O-CB 3.24Å; D229-D233 WeakPolarHBondContact O-CB 3.28Å; D229-D233 VanDerWaalsContact O-CG 3.3Å; D229-D233 PolarHBondContact O-N 3.25Å; D233-F293 HydrophobicContact CB-CD2 4.05Å; D233-F293 HydrophobicContact CB-CE2 4.38Å; D233-F293 HydrophobicContact CB-CG 4.15Å; D233-F293 VanDerWaalsContact O-CB 3.23Å; D233-F293 WeakPolarHBondContact O-CB 3.37Å; D233-P295 WeakPolarHBondContact O-CB 3.32Å; D233-P295 VanDerWaalsContact O-CD 3.22Å; D233-P295 WeakPolarHBondContact O-CD 3.25Å; D233-P295 VanDerWaalsContact O-CG 3.29Å; D233-P295 WeakPolarHBondContact O-CG 3.36Å
234E98.7Very high98.4Very high26 Ų2634.7 Ų34.712%0.12118%0.177CC..EExtended strand (participates in β ladder)trans-109.7-56.6-175.9-70.1171177.500110.5I154 K156 G157 L232 Q257 F293 P295 A296I154-E234 PolarHBondContact O-N 3.07Å; K156-E234 WeakPolarHBondContact CA-OE1 3.43Å; G157-E234 WeakPolarHBondContact CA-OE2 3.29Å; G157-E234 VanDerWaalsContact N-CD 3.32Å; G157-E234 PolarHBondContact N-OE1 3.39Å; G157-E234 PolarHBondContact N-OE2 3.02Å; L232-E234 PolarHBondContact O-N 3.09Å; E234-Q257 PolarHBondContact OE2-NE2 2.9Å; E234-F293 PolarHBondContact O-N 2.95Å; E234-P295 HydrophobicContact CG-CB 4.18Å; E234-A296 HydrophobicContact CB-CB 4.44Å; E234-A296 VanDerWaalsContact O-CB 3.23Å; E234-A296 WeakPolarHBondContact O-CB 3.3Å
235I98.9Very high98.4Very high0 Ų037.9 Ų37.90%019%0.192CC..EExtended strand (participates in β ladder)trans-142.4139.9-166.8-57158.4000110.5I154 V237 L256 M260 L290 V291 A296I154-I235 HydrophobicContact CB-CB 4.11Å; I154-I235 HydrophobicContact CD1-CB 4.14Å; I154-I235 HydrophobicContact CD1-CD1 4.21Å; I154-I235 HydrophobicContact CD1-CG2 4.26Å; I154-I235 PolarHBondContact N-O 3.37Å; I154-I235 PolarHBondContact O-N 2.8Å; I154-I235 VanDerWaalsContact O-N 3.15Å; I235-V237 HydrophobicContact CG2-CG2 3.98Å; I235-L256 HydrophobicContact CD1-CB 4.07Å; I235-L256 HydrophobicContact CG2-CD1 4.21Å; I235-M260 HydrophobicContact CD1-SD 3.42Å; I235-M260 WeakPolarHBondContact CD1-SD 3.4Å; I235-M260 HydrophobicContact CG1-CE 4.4Å; I235-M260 HydrophobicContact CG1-SD 3.8Å; I235-L290 HydrophobicContact CG2-CD1 3.28Å; I235-V291 CarbonylContact C-O 3.57Å; I235-V291 VanDerWaalsContact CA-O 3.28Å; I235-V291 WeakPolarHBondContact CA-O 3.12Å; I235-A296 HydrophobicContact CG1-CB 4.2Å
236I98.9Very high98.3Very high0 Ų037.8 Ų37.80%019%0.191CC..EExtended strand (participates in β ladder)trans-110.7139.4157.5-73.8161.5000108.7V134 I136 I141 F143 I152 L153 L238 V291 F293V134-I236 HydrophobicContact CG1-CG2 4.22Å; V134-I236 HydrophobicContact CG2-CG2 4.31Å; I136-I236 HydrophobicContact CD1-CD1 3.85Å; I136-I236 HydrophobicContact CG1-CD1 4.32Å; I141-I236 HydrophobicContact CD1-CD1 4.03Å; I141-I236 HydrophobicContact CG1-CD1 4.27Å; I141-I236 HydrophobicContact CG2-CD1 3.83Å; F143-I236 HydrophobicContact CE1-CD1 4.42Å; F143-I236 HydrophobicContact CE1-CG1 4.33Å; F143-I236 HydrophobicContact CE1-CG2 4.35Å; F143-I236 HydrophobicContact CZ-CD1 4.12Å; F143-I236 HydrophobicContact CZ-CG1 4.17Å; I152-I236 VanDerWaalsContact O-CA 3.3Å; I152-I236 WeakPolarHBondContact O-CA 3.49Å; L153-I236 HydrophobicContact CD1-CD1 4.39Å; L153-I236 HydrophobicContact CD1-CG1 3.75Å; I236-L238 HydrophobicContact CG2-CD1 3.64Å; I236-L238 HydrophobicContact CG2-CG 4.35Å; I236-V291 HydrophobicContact CB-CB 4.26Å; I236-V291 PolarHBondContact N-O 3.07Å; I236-V291 PolarHBondContact O-N 3.43Å; I236-F293 HydrophobicContact CD1-CE2 3.65Å; I236-F293 HydrophobicContact CD1-CZ 3.64Å; I236-F293 HydrophobicContact CG1-CE2 3.86Å; I236-F293 HydrophobicContact CG1-CZ 4.37Å
237V98.9Very high98.3Very high0 Ų036.8 Ų36.80%019%0.185CC..EExtended strand (participates in β ladder)trans-119.5136.5169.9179.80000108.1A151 I152 I235 W244 I252 L256 M288 V289 L290A151-V237 CarbonylContact C-O 3.45Å; A151-V237 WeakPolarHBondContact CA-O 3.48Å; I152-V237 HydrophobicContact CD1-CB 4.39Å; I152-V237 HydrophobicContact CD1-CG2 4.36Å; I152-V237 HydrophobicContact CG1-CB 3.78Å; I152-V237 HydrophobicContact CG1-CG2 4.15Å; I152-V237 PolarHBondContact N-O 2.82Å; I152-V237 PolarHBondContact O-N 3.23Å; I235-V237 HydrophobicContact CG2-CG2 3.98Å; V237-W244 HydrophobicContact CG1-CH2 4.09Å; V237-W244 HydrophobicContact CG1-CZ2 3.98Å; V237-I252 HydrophobicContact CG1-CG2 4.41Å; V237-I252 HydrophobicContact CG2-CG2 4.05Å; V237-L256 HydrophobicContact CG2-CD1 3.32Å; V237-M288 HydrophobicContact CB-CE 4.42Å; V237-M288 HydrophobicContact CG1-CE 3.4Å; V237-M288 VanDerWaalsContact CG1-CE 3.4Å; V237-M288 HydrophobicContact CG1-CG 4.16Å; V237-M288 HydrophobicContact CG2-CE 4.14Å; V237-V289 WeakPolarHBondContact CA-O 3.43Å; V237-L290 HydrophobicContact CG2-CD1 4.02Å
238L98.9Very high98.3Very high0 Ų034.8 Ų34.80%018%0.177CC..EExtended strand (participates in β ladder)trans-122.9130.7164.6-55.891.3000107.6F56 V58 V132 V134 R150 A151 I236 M288 V289F56-L238 HydrophobicContact CB-CD1 4.05Å; V58-L238 HydrophobicContact CB-CB 4.47Å; V58-L238 HydrophobicContact CG2-CB 3.9Å; V132-L238 HydrophobicContact CG1-CB 4.25Å; V132-L238 HydrophobicContact CG1-CD2 4.33Å; V132-L238 HydrophobicContact CG2-CD2 4.49Å; V132-L238 WeakPolarHBondContact O-CD2 3.22Å; V134-L238 HydrophobicContact CG1-CD2 4.19Å; V134-L238 HydrophobicContact CG2-CD1 3.94Å; V134-L238 HydrophobicContact CG2-CD2 4.18Å; R150-L238 WeakPolarHBondContact O-CA 3.43Å; A151-L238 HydrophobicContact CB-CD2 4.34Å; A151-L238 HydrophobicContact CB-CG 3.97Å; I236-L238 HydrophobicContact CG2-CD1 3.64Å; I236-L238 HydrophobicContact CG2-CG 4.35Å; L238-M288 CarbonylContact O-C 3.54Å; L238-M288 WeakPolarHBondContact O-CA 3.25Å; L238-V289 HydrophobicContact CB-CB 4.33Å; L238-V289 HydrophobicContact CD1-CB 4.25Å; L238-V289 HydrophobicContact CD1-CG1 4.28Å; L238-V289 PolarHBondContact N-O 3.25Å; L238-V289 PolarHBondContact O-N 2.86Å
239A98.9Very high98.4Very high0 Ų033.7 Ų33.70%018%0.175CC..EExtended strand (participates in β ladder)trans-152.2158.8176.900000112.6S149 R150 I243 W244 S287 M288S149-A239 WeakPolarHBondContact CA-O 3.11Å; S149-A239 WeakPolarHBondContact CB-O 3.42Å; R150-A239 PolarHBondContact N-O 2.86Å; R150-A239 PolarHBondContact O-N 2.78Å; A239-I243 HydrophobicContact CB-CB 3.93Å; A239-I243 HydrophobicContact CB-CG1 3.87Å; A239-I243 HydrophobicContact CB-CG2 4.25Å; A239-W244 HydrophobicContact CB-CZ2 4.05Å; A239-W244 VanDerWaalsContact O-CD1 3.3Å; A239-W244 PolarHBondContact O-NE1 3.03Å; A239-S287 WeakPolarHBondContact CA-O 3.47Å; A239-S287 WeakPolarHBondContact CB-O 3.38Å; A239-M288 HydrophobicContact CB-CB 4.18Å; A239-M288 HydrophobicContact CB-CG 4.21Å
240C98.8Very high98.4Very high0 Ų037 Ų370%019%0.189CC..  trans-79.3174.1173.967.10000112.6D38 V58 D60 G242 I243 W244 N285 S287D38-C240 PolarHBondContact OD2-SG 2.86Å; V58-C240 HydrophobicContact CG1-CB 4.19Å; D60-C240 HydrophobicContact CB-CB 3.84Å; D60-C240 WeakPolarHBondContact OD2-CB 3.42Å; C240-G242 PolarHBondContact O-N 3.32Å; C240-I243 PolarHBondContact O-N 3.31Å; C240-I243 VanDerWaalsContact O-N 3.16Å; C240-W244 PolarHBondContact O-N 3.04Å; C240-N285 PolarHBondContact SG-O 3.38Å; C240-N285 VanDerWaalsContact SG-O 3.4Å; C240-S287 PolarHBondContact N-O 3.11Å; C240-S287 VanDerWaalsContact N-O 3.15Å; C240-S287 PolarHBondContact SG-N 2.62Å
241D98.1Very high98.4Very high23 Ų2333.5 Ų33.512%0.12318%0.175CC..Hα-helixtrans-64.9-27.3-176.373.5-7.7000112.8I243 W244 D245D241-I243 CarbonylContact O-C 3.54Å; D241-I243 PolarHBondContact O-N 3.24Å; D241-W244 PolarHBondContact O-N 3.13Å; D241-D245 VanDerWaalsContact O-CB 3.24Å; D241-D245 WeakPolarHBondContact O-CB 3.33Å; D241-D245 PolarHBondContact O-N 2.78Å
242G98.4Very high98.4Very high1 Ų127 Ų271%0.0114%0.14CC..Hα-helixtrans-55.8-21173.600000114.3C240 S282C240-G242 PolarHBondContact O-N 3.32Å; G242-S282 VanDerWaalsContact O-CB 3.29Å; G242-S282 WeakPolarHBondContact O-CB 3.21Å; G242-S282 PolarHBondContact O-OG 3.17Å
243I98.8Very high98.4Very high0 Ų024.4 Ų24.40%013%0.127CC..Hα-helixtrans-91.6-52.2169.7-54.8-59000110.9A239 C240 D241 D245 V246 L247 I252 I274 C277 M286A239-I243 HydrophobicContact CB-CB 3.93Å; A239-I243 HydrophobicContact CB-CG1 3.87Å; A239-I243 HydrophobicContact CB-CG2 4.25Å; C240-I243 PolarHBondContact O-N 3.31Å; C240-I243 VanDerWaalsContact O-N 3.16Å; D241-I243 CarbonylContact O-C 3.54Å; D241-I243 PolarHBondContact O-N 3.24Å; I243-D245 VanDerWaalsContact C-N 3.31Å; I243-D245 PolarHBondContact O-N 2.99Å; I243-V246 WeakPolarHBondContact O-CG2 3.42Å; I243-V246 PolarHBondContact O-N 3.26Å; I243-L247 PolarHBondContact O-N 3.31Å; I243-I252 HydrophobicContact CG2-CD1 4.03Å; I243-I274 HydrophobicContact CD1-CG1 3.88Å; I243-C277 HydrophobicContact CD1-CB 4.16Å; I243-M286 HydrophobicContact CD1-CB 3.88Å; I243-M286 HydrophobicContact CD1-CG 3.86Å; I243-M286 HydrophobicContact CD1-SD 4.33Å
244W98.6Very high98.3Very high15 Ų1528.4 Ų28.46%0.05716%0.155CC..Hα-helixtrans-72.4-19.7-170.7-59.6117.1000114.8R150 I152 V237 A239 C240 D241 V246 I252R150-W244 HydrophobicContact CB-CD2 4.19Å; R150-W244 HydrophobicContact CB-CG 4.16Å; R150-W244 HydrophobicContact CB-CZ2 4.33Å; R150-W244 PolarHBondContact O-NE1 2.99Å; I152-W244 HydrophobicContact CD1-CH2 3.95Å; I152-W244 HydrophobicContact CD1-CZ3 4.5Å; I152-W244 HydrophobicContact CG1-CH2 4.02Å; I152-W244 HydrophobicContact CG2-CH2 4.04Å; V237-W244 HydrophobicContact CG1-CH2 4.09Å; V237-W244 HydrophobicContact CG1-CZ2 3.98Å; A239-W244 HydrophobicContact CB-CZ2 4.05Å; A239-W244 VanDerWaalsContact O-CD1 3.3Å; A239-W244 PolarHBondContact O-NE1 3.03Å; C240-W244 PolarHBondContact O-N 3.04Å; D241-W244 PolarHBondContact O-N 3.13Å; W244-V246 PolarHBondContact O-N 2.93Å; W244-I252 HydrophobicContact CE3-CG1 4.39Å; W244-I252 HydrophobicContact CH2-CB 4.45Å; W244-I252 HydrophobicContact CH2-CG1 4.21Å; W244-I252 HydrophobicContact CH2-CG2 4.3Å; W244-I252 HydrophobicContact CZ3-CB 4.14Å; W244-I252 HydrophobicContact CZ3-CG1 3.69Å; W244-I252 HydrophobicContact CZ3-CG2 4.48Å
245D97.7Very high98.2Very high112 Ų11228.1 Ų28.160%0.59915%0.154SC*.THydrogen-bonded Turntrans-71.3-21.5176.1-84.72.1000112.4D241 I243D241-D245 VanDerWaalsContact O-CB 3.24Å; D241-D245 WeakPolarHBondContact O-CB 3.33Å; D241-D245 PolarHBondContact O-N 2.78Å; I243-D245 VanDerWaalsContact C-N 3.31Å; I243-D245 PolarHBondContact O-N 2.99Å
246V98Very high98.2Very high37 Ų3728.1 Ų28.122%0.22415%0.154CC..THydrogen-bonded Turntrans-120.8-9-177.7-61.70000114.1I243 W244 C277 K280I243-V246 WeakPolarHBondContact O-CG2 3.42Å; I243-V246 PolarHBondContact O-N 3.26Å; W244-V246 PolarHBondContact O-N 2.93Å; V246-C277 HydrophobicContact CG2-CB 3.64Å; V246-K280 HydrophobicContact CB-CB 4.13Å
247L97.7Very high98.1Very high4 Ų429.7 Ų29.72%0.02116%0.161CC..  trans-134.9131.4175.7-65.3175.1000111.4I243 E251 I252 T273 M276 C277 K280I243-L247 PolarHBondContact O-N 3.31Å; L247-E251 HydrophobicContact CD2-CB 4.28Å; L247-I252 HydrophobicContact CB-CD1 4.09Å; L247-I252 HydrophobicContact CB-CG1 4Å; L247-I252 HydrophobicContact CD1-CD1 3.53Å; L247-I252 HydrophobicContact CD1-CG1 4.34Å; L247-I252 HydrophobicContact CG-CD1 4.45Å; L247-T273 HydrophobicContact CD1-CG2 4.02Å; L247-M276 HydrophobicContact CD1-CE 3.86Å; L247-M276 HydrophobicContact CD2-CE 4.21Å; L247-C277 WeakPolarHBondContact CD1-SG 3.45Å; L247-K280 HydrophobicContact CD2-CD 3.78Å
248T98.3Very high97.9Very high67 Ų6732 Ų3241%0.41117%0.174SC..  trans-75.8165.8173.160.80000112.3E250 E251 I252T248-E250 VanDerWaalsContact C-N 3.26Å; T248-E250 PolarHBondContact O-N 3.33Å; T248-E251 WeakPolarHBondContact CB-OE2 3.43Å; T248-E251 WeakPolarHBondContact CG2-OE2 3.38Å; T248-E251 PolarHBondContact N-OE2 2.78Å; T248-E251 PolarHBondContact O-N 3.45Å; T248-E251 WeakPolarHBondContact OG1-CB 3.46Å; T248-E251 VanDerWaalsContact OG1-CG 3.23Å; T248-E251 WeakPolarHBondContact OG1-CG 3.43Å; T248-E251 PolarHBondContact OG1-N 2.89Å; T248-E251 PolarHBondContact OG1-OE2 3.27Å; T248-I252 PolarHBondContact O-N 2.8Å
249N98.7Very high97.8Very high26 Ų2632.2 Ų32.214%0.13917%0.174CC..Hα-helixtrans-58.2-41.5175.2-62.2-16.2000111.3R150 I152 V159 C253R150-N249 WeakPolarHBondContact CD-OD1 3.3Å; R150-N249 PolarHBondContact NH1-OD1 2.71Å; I152-N249 HydrophobicContact CG2-CB 4.44Å; V159-N249 HydrophobicContact CG1-CB 4.24Å; V159-N249 HydrophobicContact CG2-CB 4.03Å; N249-C253 VanDerWaalsContact O-CB 3.3Å; N249-C253 WeakPolarHBondContact O-CB 3.5Å; N249-C253 PolarHBondContact O-N 3.45Å
250E98.3Very high97.7Very high121 Ų12132.3 Ų32.357%0.56518%0.175SC*.Hα-helixtrans-69.6-38.4-179.5-69.268.1-15100112.1T248 C253 S254T248-E250 VanDerWaalsContact C-N 3.26Å; T248-E250 PolarHBondContact O-N 3.33Å; E250-C253 PolarHBondContact O-N 3.24Å; E250-S254 WeakPolarHBondContact O-CB 3.29Å; E250-S254 PolarHBondContact O-N 2.56Å
251E97.1Very high97.7Very high72 Ų7237.5 Ų37.534%0.33619%0.194SC..Hα-helixtrans-64.2-47.8174.6-76.3166.6127.800111.3L247 T248 C253 S254 L255L247-E251 HydrophobicContact CD2-CB 4.28Å; T248-E251 WeakPolarHBondContact CB-OE2 3.43Å; T248-E251 WeakPolarHBondContact CG2-OE2 3.38Å; T248-E251 PolarHBondContact N-OE2 2.78Å; T248-E251 PolarHBondContact O-N 3.45Å; T248-E251 WeakPolarHBondContact OG1-CB 3.46Å; T248-E251 VanDerWaalsContact OG1-CG 3.23Å; T248-E251 WeakPolarHBondContact OG1-CG 3.43Å; T248-E251 PolarHBondContact OG1-N 2.89Å; T248-E251 PolarHBondContact OG1-OE2 3.27Å; E251-C253 VanDerWaalsContact C-N 3.32Å; E251-C253 PolarHBondContact O-N 2.97Å; E251-S254 PolarHBondContact O-N 3.17Å; E251-L255 VanDerWaalsContact O-CB 3.22Å; E251-L255 WeakPolarHBondContact O-CB 3.31Å; E251-L255 PolarHBondContact O-N 3.44Å
252I98.1Very high97.6Very high0 Ų036.9 Ų36.90%019%0.192CC..Hα-helixtrans-59.2-44.5174.1-70.4-69000110.7I152 V237 I243 W244 L247 T248 S254 L255 L256 T273 M288I152-I252 HydrophobicContact CD1-CG2 4.07Å; V237-I252 HydrophobicContact CG1-CG2 4.41Å; V237-I252 HydrophobicContact CG2-CG2 4.05Å; I243-I252 HydrophobicContact CG2-CD1 4.03Å; W244-I252 HydrophobicContact CE3-CG1 4.39Å; W244-I252 HydrophobicContact CH2-CB 4.45Å; W244-I252 HydrophobicContact CH2-CG1 4.21Å; W244-I252 HydrophobicContact CH2-CG2 4.3Å; W244-I252 HydrophobicContact CZ3-CB 4.14Å; W244-I252 HydrophobicContact CZ3-CG1 3.69Å; W244-I252 HydrophobicContact CZ3-CG2 4.48Å; L247-I252 HydrophobicContact CB-CD1 4.09Å; L247-I252 HydrophobicContact CB-CG1 4Å; L247-I252 HydrophobicContact CD1-CD1 3.53Å; L247-I252 HydrophobicContact CD1-CG1 4.34Å; L247-I252 HydrophobicContact CG-CD1 4.45Å; T248-I252 PolarHBondContact O-N 2.8Å; I252-S254 PolarHBondContact O-N 3.06Å; I252-L255 PolarHBondContact O-N 2.8Å; I252-L256 HydrophobicContact CG2-CD1 3.62Å; I252-L256 HydrophobicContact CG2-CG 4.21Å; I252-L256 WeakPolarHBondContact O-CB 3.23Å; I252-L256 VanDerWaalsContact O-CG 3.23Å; I252-L256 WeakPolarHBondContact O-CG 3.38Å; I252-L256 PolarHBondContact O-N 2.87Å; I252-T273 HydrophobicContact CD1-CG2 3.65Å; I252-M288 HydrophobicContact CD1-CE 4.46Å; I252-M288 HydrophobicContact CG2-CE 4.33Å
253C98.3Very high97.6Very high8 Ų838 Ų385%0.05420%0.199CC..Hα-helixtrans-58.8-50.6177.3-178.30000111.5I154 V159 N249 E250 E251 L255 L256 Q257I154-C253 HydrophobicContact CD1-CB 3.95Å; I154-C253 HydrophobicContact CG1-CB 4.21Å; V159-C253 HydrophobicContact CG2-CB 3.69Å; N249-C253 VanDerWaalsContact O-CB 3.3Å; N249-C253 WeakPolarHBondContact O-CB 3.5Å; N249-C253 PolarHBondContact O-N 3.45Å; E250-C253 PolarHBondContact O-N 3.24Å; E251-C253 VanDerWaalsContact C-N 3.32Å; E251-C253 PolarHBondContact O-N 2.97Å; C253-L255 VanDerWaalsContact C-N 3.34Å; C253-L255 PolarHBondContact O-N 2.81Å; C253-L256 PolarHBondContact O-N 2.82Å; C253-Q257 WeakPolarHBondContact O-CB 3.35Å; C253-Q257 WeakPolarHBondContact O-CG 3.23Å; C253-Q257 PolarHBondContact O-N 2.54Å
254S96.6Very high97.5Very high84 Ų8442.9 Ų42.959%0.58723%0.225SC*.Hα-helixtrans-64.5-39.4-179.3-168.60000112.2E250 E251 I252 N258E250-S254 WeakPolarHBondContact O-CB 3.29Å; E250-S254 PolarHBondContact O-N 2.56Å; E251-S254 PolarHBondContact O-N 3.17Å; I252-S254 PolarHBondContact O-N 3.06Å; S254-N258 PolarHBondContact O-N 2.57Å
255L96.4Very high97.5Very high21 Ų2145.2 Ų45.211%0.1124%0.238CC..Hα-helixtrans-58.6-57175.7176.471.3000110.6E251 I252 C253 Q257 N258 R259 T273 M276 C354E251-L255 VanDerWaalsContact O-CB 3.22Å; E251-L255 WeakPolarHBondContact O-CB 3.31Å; E251-L255 PolarHBondContact O-N 3.44Å; I252-L255 PolarHBondContact O-N 2.8Å; C253-L255 VanDerWaalsContact C-N 3.34Å; C253-L255 PolarHBondContact O-N 2.81Å; L255-Q257 VanDerWaalsContact C-N 3.34Å; L255-Q257 PolarHBondContact O-N 2.82Å; L255-N258 PolarHBondContact O-N 2.88Å; L255-N258 VanDerWaalsContact O-N 3.11Å; L255-R259 HydrophobicContact CD1-CG 3.7Å; L255-R259 HydrophobicContact CG-CG 4.05Å; L255-R259 WeakPolarHBondContact O-CG 3.44Å; L255-R259 PolarHBondContact O-N 3.21Å; L255-T273 HydrophobicContact CD2-CG2 3.78Å; L255-T273 VanDerWaalsContact CD2-OG1 3.29Å; L255-T273 WeakPolarHBondContact CD2-OG1 3.4Å; L255-M276 HydrophobicContact CD1-CE 3.82Å; L255-M276 HydrophobicContact CD2-CE 3.4Å; L255-M276 VanDerWaalsContact CD2-CE 3.4Å; L255-M276 HydrophobicContact CG-CE 4.18Å; L255-C354 WeakPolarHBondContact CD1-SG 3.47Å
256L97.8Very high97.5Very high0 Ų040.2 Ų40.20%021%0.211CC..Hα-helixtrans-64.4-38.6-174.5-65.4174.7000112.3I154 I235 V237 I252 C253 N258 R259 M260 I269 M288 L290I154-L256 HydrophobicContact CD1-CD1 4.21Å; I235-L256 HydrophobicContact CD1-CB 4.07Å; I235-L256 HydrophobicContact CG2-CD1 4.21Å; V237-L256 HydrophobicContact CG2-CD1 3.32Å; I252-L256 HydrophobicContact CG2-CD1 3.62Å; I252-L256 HydrophobicContact CG2-CG 4.21Å; I252-L256 WeakPolarHBondContact O-CB 3.23Å; I252-L256 VanDerWaalsContact O-CG 3.23Å; I252-L256 WeakPolarHBondContact O-CG 3.38Å; I252-L256 PolarHBondContact O-N 2.87Å; C253-L256 PolarHBondContact O-N 2.82Å; L256-N258 PolarHBondContact O-N 3.22Å; L256-R259 PolarHBondContact O-N 2.85Å; L256-M260 WeakPolarHBondContact O-CB 3.12Å; L256-M260 VanDerWaalsContact O-CG 3.27Å; L256-M260 WeakPolarHBondContact O-CG 3.14Å; L256-M260 PolarHBondContact O-N 3.07Å; L256-I269 HydrophobicContact CD2-CG2 3.47Å; L256-I269 VanDerWaalsContact CD2-CG2 3.47Å; L256-M288 HydrophobicContact CD1-CE 4.18Å; L256-M288 HydrophobicContact CD2-CE 4.29Å; L256-L290 HydrophobicContact CD1-CD1 3.72Å; L256-L290 HydrophobicContact CD2-CD1 4.07Å; L256-L290 HydrophobicContact CD2-CD2 3.85Å; L256-L290 HydrophobicContact CG-CD1 4.48Å
257Q97Very high97.5Very high32 Ų3238.7 Ų38.715%0.1520%0.203CC..Hα-helixtrans-58.5-33.9175.4-73.8-66.6-41.400113.1E234 C253 L255 P297E234-Q257 PolarHBondContact OE2-NE2 2.9Å; C253-Q257 WeakPolarHBondContact O-CB 3.35Å; C253-Q257 WeakPolarHBondContact O-CG 3.23Å; C253-Q257 PolarHBondContact O-N 2.54Å; L255-Q257 VanDerWaalsContact C-N 3.34Å; L255-Q257 PolarHBondContact O-N 2.82Å; Q257-P297 VanDerWaalsContact OE1-CG 3.32Å
258N95.3Very high97.6Very high48 Ų4842.1 Ų42.126%0.25722%0.22SC..Hα-helixtrans-82.2-54.9175.3-172.4-12.9000111.1S254 L255 L256 M260 R261 N351S254-N258 PolarHBondContact O-N 2.57Å; L255-N258 PolarHBondContact O-N 2.88Å; L255-N258 VanDerWaalsContact O-N 3.11Å; L256-N258 PolarHBondContact O-N 3.22Å; N258-M260 VanDerWaalsContact C-N 3.32Å; N258-M260 PolarHBondContact O-N 2.98Å; N258-R261 WeakPolarHBondContact O-CB 3.32Å; N258-R261 PolarHBondContact O-N 2.9Å; N258-N351 VanDerWaalsContact ND2-CG 3.34Å; N258-N351 PolarHBondContact ND2-ND2 2.97Å; N258-N351 PolarHBondContact ND2-OD1 3.37Å
259R96.8Very high97.6Very high5 Ų539 Ų392%0.01920%0.2CC..Hα-helixtrans-60.4-36.7-172.6-65.7-45.4-63.9158.11.8114.1L255 L256 R261 C262 V263 I269 E272 D307 C354 K355L255-R259 HydrophobicContact CD1-CG 3.7Å; L255-R259 HydrophobicContact CG-CG 4.05Å; L255-R259 WeakPolarHBondContact O-CG 3.44Å; L255-R259 PolarHBondContact O-N 3.21Å; L256-R259 PolarHBondContact O-N 2.85Å; R259-R261 PolarHBondContact O-N 3.44Å; R259-C262 PolarHBondContact O-N 2.83Å; R259-V263 VanDerWaalsContact NH2-CG2 3.34Å; R259-V263 PolarHBondContact O-N 2.86Å; R259-I269 HydrophobicContact CB-CD1 4.35Å; R259-I269 HydrophobicContact CB-CG1 4.23Å; R259-I269 HydrophobicContact CB-CG2 3.81Å; R259-I269 HydrophobicContact CG-CG2 4.49Å; R259-E272 IonicContact CZ-OE1 3.66Å; R259-E272 IonicContact CZ-OE2 2.82Å; R259-E272 IonicContact NE-OE2 2.9Å; R259-E272 PolarHBondContact NE-OE2 3.37Å; R259-E272 VanDerWaalsContact NH2-CD 3.3Å; R259-E272 IonicContact NH2-OE1 3.92Å; R259-E272 PolarHBondContact NH2-OE1 3.04Å; R259-E272 IonicContact NH2-OE2 3.22Å; R259-E272 PolarHBondContact NH2-OE2 2.83Å; R259-D307 IonicContact CZ-OD1 2.69Å; R259-D307 IonicContact CZ-OD2 2.7Å; R259-D307 IonicContact NH1-OD1 3.37Å; R259-D307 PolarHBondContact NH1-OD1 2.89Å; R259-D307 IonicContact NH1-OD2 2.67Å; R259-D307 PolarHBondContact NH1-OD2 2.87Å; R259-D307 IonicContact NH2-OD1 3.38Å; R259-D307 IonicContact NH2-OD2 2.9Å; R259-D307 PolarHBondContact NH2-OD2 2.93Å; R259-C354 VanDerWaalsContact CD-SG 3.5Å; R259-K355 VanDerWaalsContact NH2-NZ 3.11Å
260M97.8Very high97.6Very high2 Ų237.7 Ų37.71%0.0119%0.193CC..Hα-helixtrans-66.2-15.7176.8-68.6-179.269.300113.8I235 L256 N258 L266 I269 A292 A296 P297 R298 V299I235-M260 HydrophobicContact CD1-SD 3.42Å; I235-M260 WeakPolarHBondContact CD1-SD 3.4Å; I235-M260 HydrophobicContact CG1-CE 4.4Å; I235-M260 HydrophobicContact CG1-SD 3.8Å; L256-M260 WeakPolarHBondContact O-CB 3.12Å; L256-M260 VanDerWaalsContact O-CG 3.27Å; L256-M260 WeakPolarHBondContact O-CG 3.14Å; L256-M260 PolarHBondContact O-N 3.07Å; N258-M260 VanDerWaalsContact C-N 3.32Å; N258-M260 PolarHBondContact O-N 2.98Å; M260-L266 HydrophobicContact CE-CD2 3.82Å; M260-L266 HydrophobicContact CG-CD2 4.36Å; M260-L266 HydrophobicContact SD-CD2 4.47Å; M260-I269 HydrophobicContact CB-CD1 4.2Å; M260-I269 HydrophobicContact CG-CD1 3.5Å; M260-I269 VanDerWaalsContact CG-CD1 3.5Å; M260-A292 HydrophobicContact CE-CB 3.72Å; M260-A296 HydrophobicContact CE-CB 3.57Å; M260-P297 HydrophobicContact CB-CB 3.97Å; M260-P297 WeakPolarHBondContact CE-O 3.18Å; M260-R298 CarbonylContact O-C 3.55Å; M260-V299 PolarHBondContact O-N 2.91Å
261R97.7Very high97.6Very high109 Ų10932.6 Ų32.641%0.41117%0.17SC..Hα-helixtrans-83.4-17.2170.9-61.9174.3175.9-97.1-3.1112.9N258 R259 P297 R298 V299 D300 C303N258-R261 WeakPolarHBondContact O-CB 3.32Å; N258-R261 PolarHBondContact O-N 2.9Å; R259-R261 PolarHBondContact O-N 3.44Å; R261-P297 HydrophobicContact CG-CB 4.01Å; R261-R298 WeakPolarHBondContact CA-O 3.49Å; R261-V299 CarbonylContact O-C 3.54Å; R261-V299 WeakPolarHBondContact O-CA 3.49Å; R261-D300 HydrophobicContact CB-CB 4.4Å; R261-D300 PolarHBondContact O-N 2.84Å; R261-C303 HydrophobicContact CB-CB 4.07Å
262C96.7Very high97.6Very high10 Ų1029.9 Ų29.97%0.06816%0.157CC..Hα-helixtrans-103.8-35.5-178.5-55.70000112R259 D307R259-C262 PolarHBondContact O-N 2.83Å; C262-D307 HydrophobicContact CB-CB 3.82Å
263V97Very high97.6Very high26 Ų2629.9 Ų29.916%0.15816%0.157CC..  trans-125.3129.4-171.7-175.70000109.6R259 M268 I269R259-V263 VanDerWaalsContact NH2-CG2 3.34Å; R259-V263 PolarHBondContact O-N 2.86Å; V263-M268 HydrophobicContact CG1-CB 3.97Å; V263-I269 HydrophobicContact CB-CD1 4.26Å; V263-I269 HydrophobicContact CB-CG1 3.86Å; V263-I269 HydrophobicContact CG1-CG1 3.98Å
264D97.2Very high97.6Very high102 Ų10229.5 Ų29.555%0.54515%0.154SC..SBendtrans-84.2-36179.1-171.855.6000112.7R23 L266 V299R23-D264 PolarHBondContact NH1-O 3Å; R23-D264 IonicContact NH1-OD1 2.85Å; R23-D264 PolarHBondContact NH1-OD1 2.79Å; D264-L266 PolarHBondContact O-N 3.38Å; D264-V299 HydrophobicContact CB-CG2 3.69Å
265D98.2Very high97.7Very high64 Ų6426.5 Ų26.534%0.34213%0.132SC..  trans-74.7110.6-179.5-172.9-27.2000110.6T16 S267 M268 I269T16-D265 VanDerWaalsContact CG2-OD1 3.28Å; T16-D265 WeakPolarHBondContact CG2-OD1 3.23Å; D265-S267 VanDerWaalsContact C-N 3.29Å; D265-S267 PolarHBondContact O-N 2.88Å; D265-S267 WeakPolarHBondContact OD1-CB 3.41Å; D265-S267 PolarHBondContact OD1-N 3.13Å; D265-S267 PolarHBondContact OD1-OG 3.04Å; D265-M268 HydrophobicContact CB-CB 4.15Å; D265-M268 HydrophobicContact CB-CG 3.93Å; D265-M268 PolarHBondContact O-N 2.79Å; D265-M268 PolarHBondContact OD1-N 3.15Å; D265-I269 PolarHBondContact O-N 3.23Å
266L98.7Very high97.7Very high6 Ų625.9 Ų25.93%0.03113%0.129CC..Hα-helixtrans-65.4-30.2-178.1-59.5-175.2000112.7R23 M260 D264 M268 I269 C270 L290 A292R23-L266 HydrophobicContact CB-CD1 3.84Å; M260-L266 HydrophobicContact CE-CD2 3.82Å; M260-L266 HydrophobicContact CG-CD2 4.36Å; M260-L266 HydrophobicContact SD-CD2 4.47Å; D264-L266 PolarHBondContact O-N 3.38Å; L266-M268 VanDerWaalsContact C-N 3.33Å; L266-I269 HydrophobicContact CD2-CD1 4.11Å; L266-I269 PolarHBondContact O-N 3.24Å; L266-C270 PolarHBondContact O-N 2.68Å; L266-C270 PolarHBondContact O-SG 3.47Å; L266-L290 HydrophobicContact CB-CD2 4.05Å; L266-L290 HydrophobicContact CB-CG 4.45Å; L266-L290 HydrophobicContact CD2-CD2 4.02Å; L266-L290 HydrophobicContact CG-CD2 4.48Å; L266-A292 HydrophobicContact CD1-CB 3.73Å
267S98.6Very high97.7Very high6 Ų625.9 Ų25.94%0.04213%0.129CC..Hα-helixtrans-68.8-35.1176.468.20000111.5T16 I26 D265 I269 C270 N271T16-S267 VanDerWaalsContact CG2-CB 3.46Å; T16-S267 VanDerWaalsContact CG2-OG 3.31Å; T16-S267 WeakPolarHBondContact CG2-OG 3.39Å; I26-S267 WeakPolarHBondContact O-CB 3.21Å; D265-S267 VanDerWaalsContact C-N 3.29Å; D265-S267 PolarHBondContact O-N 2.88Å; D265-S267 WeakPolarHBondContact OD1-CB 3.41Å; D265-S267 PolarHBondContact OD1-N 3.13Å; D265-S267 PolarHBondContact OD1-OG 3.04Å; S267-I269 VanDerWaalsContact C-N 3.33Å; S267-I269 PolarHBondContact O-N 3.09Å; S267-C270 CarbonylContact O-C 3.56Å; S267-C270 WeakPolarHBondContact O-CB 3.22Å; S267-C270 PolarHBondContact O-N 3Å; S267-N271 PolarHBondContact O-N 2.9Å
268M98.2Very high97.8Very high76 Ų7625.6 Ų25.637%0.37413%0.128SC..Hα-helixtrans-67.1-35.3174.4-66.7-55-56.200112V263 D265 L266 C270 N271 E272V263-M268 HydrophobicContact CG1-CB 3.97Å; D265-M268 HydrophobicContact CB-CB 4.15Å; D265-M268 HydrophobicContact CB-CG 3.93Å; D265-M268 PolarHBondContact O-N 2.79Å; D265-M268 PolarHBondContact OD1-N 3.15Å; L266-M268 VanDerWaalsContact C-N 3.33Å; M268-C270 VanDerWaalsContact C-N 3.35Å; M268-N271 WeakPolarHBondContact O-CB 3.28Å; M268-N271 PolarHBondContact O-N 3.13Å; M268-N271 PolarHBondContact SD-ND2 2.92Å; M268-N271 VanDerWaalsContact SD-ND2 3.44Å; M268-E272 WeakPolarHBondContact O-CG 3.24Å; M268-E272 PolarHBondContact O-N 2.9Å
269I98.4Very high97.8Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-64.6-41.2171.8-60.1174.5000110.6L256 R259 M260 V263 D265 L266 S267 N271 E272 T273 L290L256-I269 HydrophobicContact CD2-CG2 3.47Å; L256-I269 VanDerWaalsContact CD2-CG2 3.47Å; R259-I269 HydrophobicContact CB-CD1 4.35Å; R259-I269 HydrophobicContact CB-CG1 4.23Å; R259-I269 HydrophobicContact CB-CG2 3.81Å; R259-I269 HydrophobicContact CG-CG2 4.49Å; M260-I269 HydrophobicContact CB-CD1 4.2Å; M260-I269 HydrophobicContact CG-CD1 3.5Å; M260-I269 VanDerWaalsContact CG-CD1 3.5Å; V263-I269 HydrophobicContact CB-CD1 4.26Å; V263-I269 HydrophobicContact CB-CG1 3.86Å; V263-I269 HydrophobicContact CG1-CG1 3.98Å; D265-I269 PolarHBondContact O-N 3.23Å; L266-I269 HydrophobicContact CD2-CD1 4.11Å; L266-I269 PolarHBondContact O-N 3.24Å; S267-I269 VanDerWaalsContact C-N 3.33Å; S267-I269 PolarHBondContact O-N 3.09Å; I269-N271 VanDerWaalsContact C-N 3.35Å; I269-E272 PolarHBondContact O-N 2.84Å; I269-T273 PolarHBondContact O-N 2.9Å; I269-T273 PolarHBondContact O-OG1 2.73Å; I269-L290 HydrophobicContact CB-CD2 4.24Å; I269-L290 HydrophobicContact CG2-CD2 4.11Å
270C98.7Very high97.8Very high0 Ų029.8 Ų29.80%014%0.143CC..Hα-helixtrans-61.1-41.8172.7-62.70000111.6S27 L266 S267 M268 T273 I274 M288 L290S27-C270 VanDerWaalsContact CB-CB 3.48Å; L266-C270 PolarHBondContact O-N 2.68Å; L266-C270 PolarHBondContact O-SG 3.47Å; S267-C270 CarbonylContact O-C 3.56Å; S267-C270 WeakPolarHBondContact O-CB 3.22Å; S267-C270 PolarHBondContact O-N 3Å; M268-C270 VanDerWaalsContact C-N 3.35Å; C270-T273 WeakPolarHBondContact O-CB 3.5Å; C270-T273 PolarHBondContact O-N 3.32Å; C270-I274 WeakPolarHBondContact O-CG1 3.24Å; C270-I274 PolarHBondContact O-N 2.98Å; C270-M288 HydrophobicContact CB-SD 4.3Å; C270-L290 WeakPolarHBondContact SG-CB 3.5Å
271N98.7Very high97.7Very high13 Ų1332.4 Ų32.47%0.0717%0.17CC..Hα-helixtrans-58.6-50175.5-71.6-24.3000112.1K12 N14 S27 S267 M268 I269 T273 I274 D275K12-N271 HydrophobicContact CD-CB 3.95Å; K12-N271 WeakPolarHBondContact CD-OD1 3.32Å; N14-N271 VanDerWaalsContact OD1-CG 3.23Å; N14-N271 PolarHBondContact OD1-ND2 2.82Å; N14-N271 PolarHBondContact OD1-OD1 3.08Å; S27-N271 VanDerWaalsContact CB-OD1 3.23Å; S27-N271 WeakPolarHBondContact CB-OD1 3.37Å; S27-N271 PolarHBondContact OG-OD1 3.43Å; S267-N271 PolarHBondContact O-N 2.9Å; M268-N271 WeakPolarHBondContact O-CB 3.28Å; M268-N271 PolarHBondContact O-N 3.13Å; M268-N271 PolarHBondContact SD-ND2 2.92Å; M268-N271 VanDerWaalsContact SD-ND2 3.44Å; I269-N271 VanDerWaalsContact C-N 3.35Å; N271-T273 PolarHBondContact O-N 3.35Å; N271-I274 PolarHBondContact O-N 3.46Å; N271-D275 PolarHBondContact O-N 2.93Å
272E98Very high97.7Very high15 Ų1527.5 Ų27.57%0.0715%0.152CC..Hα-helixtrans-60.1-36.2178.1-67.5-178.4152.200111.3R259 M268 I269 M276 C354 K355R259-E272 IonicContact CZ-OE1 3.66Å; R259-E272 IonicContact CZ-OE2 2.82Å; R259-E272 IonicContact NE-OE2 2.9Å; R259-E272 PolarHBondContact NE-OE2 3.37Å; R259-E272 VanDerWaalsContact NH2-CD 3.3Å; R259-E272 IonicContact NH2-OE1 3.92Å; R259-E272 PolarHBondContact NH2-OE1 3.04Å; R259-E272 IonicContact NH2-OE2 3.22Å; R259-E272 PolarHBondContact NH2-OE2 2.83Å; M268-E272 WeakPolarHBondContact O-CG 3.24Å; M268-E272 PolarHBondContact O-N 2.9Å; I269-E272 PolarHBondContact O-N 2.84Å; E272-M276 WeakPolarHBondContact O-CB 3.22Å; E272-M276 PolarHBondContact O-N 3.41Å; E272-M276 VanDerWaalsContact O-N 3.1Å; E272-C354 HydrophobicContact CB-CB 4.2Å; E272-C354 HydrophobicContact CG-CB 4.5Å; E272-C354 VanDerWaalsContact CG-O 3.24Å; E272-C354 WeakPolarHBondContact CG-O 3.43Å; E272-K355 IonicContact OE1-NZ 3.21Å; E272-K355 PolarHBondContact OE1-NZ 3.16Å
273T98.2Very high97.8Very high0 Ų029.5 Ų29.50%017%0.166CC..Hα-helixtrans-66.8-46.6176.1-53.70000111.4L247 I252 L255 I269 C270 N271 M276 C277 M288L247-T273 HydrophobicContact CD1-CG2 4.02Å; I252-T273 HydrophobicContact CD1-CG2 3.65Å; L255-T273 HydrophobicContact CD2-CG2 3.78Å; L255-T273 VanDerWaalsContact CD2-OG1 3.29Å; L255-T273 WeakPolarHBondContact CD2-OG1 3.4Å; I269-T273 PolarHBondContact O-N 2.9Å; I269-T273 PolarHBondContact O-OG1 2.73Å; C270-T273 WeakPolarHBondContact O-CB 3.5Å; C270-T273 PolarHBondContact O-N 3.32Å; N271-T273 PolarHBondContact O-N 3.35Å; T273-M276 WeakPolarHBondContact O-CB 3.45Å; T273-M276 PolarHBondContact O-N 3.12Å; T273-C277 PolarHBondContact O-N 2.85Å; T273-C277 PolarHBondContact O-SG 2.79Å; T273-C277 VanDerWaalsContact O-SG 3.35Å; T273-M288 HydrophobicContact CG2-CE 4.37Å; T273-M288 HydrophobicContact CG2-SD 3.9Å
274I98.6Very high97.8Very high0 Ų029.2 Ų29.20%016%0.164CC..Hα-helixtrans-63-42.8177.9-73.5173000111.5K12 S27 M29 I243 C270 N271 M276 C277 L278 M286K12-I274 HydrophobicContact CD-CG2 4.47Å; S27-I274 WeakPolarHBondContact OG-CD1 3.29Å; M29-I274 HydrophobicContact CB-CG2 3.75Å; M29-I274 HydrophobicContact CE-CG2 3.42Å; M29-I274 VanDerWaalsContact CE-CG2 3.42Å; M29-I274 HydrophobicContact CG-CG2 4.34Å; M29-I274 HydrophobicContact SD-CG2 3.68Å; I243-I274 HydrophobicContact CD1-CG1 3.88Å; C270-I274 WeakPolarHBondContact O-CG1 3.24Å; C270-I274 PolarHBondContact O-N 2.98Å; N271-I274 PolarHBondContact O-N 3.46Å; I274-M276 VanDerWaalsContact C-N 3.28Å; I274-M276 PolarHBondContact O-N 3.37Å; I274-C277 WeakPolarHBondContact O-CB 3.27Å; I274-C277 PolarHBondContact O-N 3.41Å; I274-C277 VanDerWaalsContact O-N 3.16Å; I274-L278 PolarHBondContact O-N 3.06Å; I274-M286 HydrophobicContact CG1-CB 4.27Å; I274-M286 HydrophobicContact CG2-CB 4.13Å; I274-M286 HydrophobicContact CG2-SD 4.12Å
275D98.1Very high97.9Very high22 Ų2224.5 Ų24.512%0.11814%0.139CC..Hα-helixtrans-62.5-38.4177-73.3-36.7000111.4K12 N271 L278 Y279 I356K12-D275 WeakPolarHBondContact CE-OD1 3.45Å; K12-D275 VanDerWaalsContact NZ-CG 3.33Å; K12-D275 IonicContact NZ-OD1 3.67Å; K12-D275 PolarHBondContact NZ-OD1 2.82Å; K12-D275 IonicContact NZ-OD2 2.68Å; K12-D275 PolarHBondContact NZ-OD2 3.25Å; N271-D275 PolarHBondContact O-N 2.93Å; D275-L278 PolarHBondContact O-N 2.74Å; D275-Y279 WeakPolarHBondContact O-CB 3.17Å; D275-Y279 PolarHBondContact O-N 3.46Å; D275-I356 HydrophobicContact CB-CG2 3.94Å; D275-I356 WeakPolarHBondContact O-CG2 3.48Å
276M96.5Very high97.9Very high8 Ų821.4 Ų21.44%0.03912%0.122CC..Hα-helixtrans-65.4-41172.8179.9172.252.500112.2L247 L255 E272 T273 I274 Y279 K280 L353L247-M276 HydrophobicContact CD1-CE 3.86Å; L247-M276 HydrophobicContact CD2-CE 4.21Å; L255-M276 HydrophobicContact CD1-CE 3.82Å; L255-M276 HydrophobicContact CD2-CE 3.4Å; L255-M276 VanDerWaalsContact CD2-CE 3.4Å; L255-M276 HydrophobicContact CG-CE 4.18Å; E272-M276 WeakPolarHBondContact O-CB 3.22Å; E272-M276 PolarHBondContact O-N 3.41Å; E272-M276 VanDerWaalsContact O-N 3.1Å; T273-M276 WeakPolarHBondContact O-CB 3.45Å; T273-M276 PolarHBondContact O-N 3.12Å; I274-M276 VanDerWaalsContact C-N 3.28Å; I274-M276 PolarHBondContact O-N 3.37Å; M276-Y279 PolarHBondContact O-N 2.93Å; M276-K280 HydrophobicContact CG-CD 4.16Å; M276-K280 HydrophobicContact CG-CG 4.42Å; M276-K280 WeakPolarHBondContact O-CB 3.21Å; M276-K280 WeakPolarHBondContact O-CG 3.49Å; M276-K280 PolarHBondContact O-N 3.02Å; M276-L353 HydrophobicContact CG-CB 4.19Å; M276-L353 HydrophobicContact CG-CD1 4.47Å; M276-L353 HydrophobicContact SD-CB 3.95Å; M276-L353 HydrophobicContact SD-CD1 4.26Å
277C98.2Very high97.9Very high0 Ų021.1 Ų21.10%012%0.121CC..Hα-helixtrans-61.4-44.9175-710000111.9I243 V246 L247 T273 I274 Y279 K280 G281 S282 M286I243-C277 HydrophobicContact CD1-CB 4.16Å; V246-C277 HydrophobicContact CG2-CB 3.64Å; L247-C277 WeakPolarHBondContact CD1-SG 3.45Å; T273-C277 PolarHBondContact O-N 2.85Å; T273-C277 PolarHBondContact O-SG 2.79Å; T273-C277 VanDerWaalsContact O-SG 3.35Å; I274-C277 WeakPolarHBondContact O-CB 3.27Å; I274-C277 PolarHBondContact O-N 3.41Å; I274-C277 VanDerWaalsContact O-N 3.16Å; C277-Y279 VanDerWaalsContact C-N 3.33Å; C277-Y279 PolarHBondContact O-N 3.38Å; C277-K280 CarbonylContact O-C 3.49Å; C277-K280 PolarHBondContact O-N 3.42Å; C277-G281 PolarHBondContact O-N 3.4Å; C277-S282 VanDerWaalsContact O-CB 3.27Å; C277-S282 WeakPolarHBondContact O-CB 3.48Å; C277-S282 PolarHBondContact O-N 2.76Å; C277-M286 HydrophobicContact CB-SD 3.57Å; C277-M286 VanDerWaalsContact CB-SD 3.57Å
278L97.8Very high97.9Very high26 Ų2620.9 Ų20.914%0.13612%0.119CC..Hα-helixtrans-59-46175.7-175.669.3000111P8 T10 M29 I274 D275 G281 M286P8-L278 HydrophobicContact CB-CD1 4.07Å; P8-L278 HydrophobicContact CG-CD1 4.42Å; P8-L278 HydrophobicContact CG-CD2 4.37Å; T10-L278 HydrophobicContact CG2-CD2 3.71Å; M29-L278 HydrophobicContact CE-CB 4.03Å; M29-L278 HydrophobicContact CE-CD1 4.07Å; M29-L278 HydrophobicContact CE-CD2 3.95Å; M29-L278 HydrophobicContact CE-CG 4.24Å; I274-L278 PolarHBondContact O-N 3.06Å; D275-L278 PolarHBondContact O-N 2.74Å; L278-G281 PolarHBondContact O-N 3.49Å; L278-G281 VanDerWaalsContact O-N 3.13Å; L278-M286 HydrophobicContact CB-CE 4.23Å; L278-M286 HydrophobicContact CD1-CE 4.01Å
279Y96Very high98Very high78 Ų7817.2 Ų17.231%0.30610%0.101SC..Hα-helixtrans-64.2-38.9176.6176.5-99.2000112.8D275 M276 C277 G281 T332 V336 L353 I356D275-Y279 WeakPolarHBondContact O-CB 3.17Å; D275-Y279 PolarHBondContact O-N 3.46Å; M276-Y279 PolarHBondContact O-N 2.93Å; C277-Y279 VanDerWaalsContact C-N 3.33Å; C277-Y279 PolarHBondContact O-N 3.38Å; Y279-G281 PolarHBondContact O-N 3.49Å; Y279-G281 VanDerWaalsContact O-N 3.16Å; Y279-T332 HydrophobicContact CD2-CG2 4.16Å; Y279-T332 HydrophobicContact CE2-CG2 4Å; Y279-V336 HydrophobicContact CE2-CG2 3.98Å; Y279-L353 HydrophobicContact CD1-CD2 3.73Å; Y279-L353 HydrophobicContact CE1-CD2 3.58Å; Y279-I356 HydrophobicContact CD1-CG1 4.46Å; Y279-I356 HydrophobicContact CD2-CD1 3.79Å; Y279-I356 HydrophobicContact CD2-CG1 3.62Å; Y279-I356 HydrophobicContact CE2-CD1 3.98Å; Y279-I356 HydrophobicContact CE2-CG1 4.31Å; Y279-I356 HydrophobicContact CG-CD1 4.26Å; Y279-I356 HydrophobicContact CG-CG1 3.71Å
280K95.9Very high98Very high63 Ų6317.2 Ų17.227%0.27410%0.101SC..THydrogen-bonded Turntrans-72.62.3174.9-73.3-176.7-175.2-98.60113.2V246 L247 M276 C277 E350V246-K280 HydrophobicContact CB-CB 4.13Å; L247-K280 HydrophobicContact CD2-CD 3.78Å; M276-K280 HydrophobicContact CG-CD 4.16Å; M276-K280 HydrophobicContact CG-CG 4.42Å; M276-K280 WeakPolarHBondContact O-CB 3.21Å; M276-K280 WeakPolarHBondContact O-CG 3.49Å; M276-K280 PolarHBondContact O-N 3.02Å; C277-K280 CarbonylContact O-C 3.49Å; C277-K280 PolarHBondContact O-N 3.42Å; K280-E350 IonicContact NZ-OE1 3.35Å; K280-E350 IonicContact NZ-OE2 2.86Å; K280-E350 PolarHBondContact NZ-OE2 3Å
281G96.7Very high98Very high56 Ų5617.2 Ų17.258%0.57710%0.101SC*.THydrogen-bonded Turntrans100.815.2169.300000115C277 L278 Y279 S283C277-G281 PolarHBondContact O-N 3.4Å; L278-G281 PolarHBondContact O-N 3.49Å; L278-G281 VanDerWaalsContact O-N 3.13Å; Y279-G281 PolarHBondContact O-N 3.49Å; Y279-G281 VanDerWaalsContact O-N 3.16Å; G281-S283 PolarHBondContact O-N 3.16Å
282S98.2Very high98Very high6 Ų616.7 Ų16.74%0.04210%0.098CC..  trans-61.4124.7171.8-176.80000110.4G242 C277G242-S282 VanDerWaalsContact O-CB 3.29Å; G242-S282 WeakPolarHBondContact O-CB 3.21Å; G242-S282 PolarHBondContact O-OG 3.17Å; C277-S282 VanDerWaalsContact O-CB 3.27Å; C277-S282 WeakPolarHBondContact O-CB 3.48Å; C277-S282 PolarHBondContact O-N 2.76Å
283S97.5Very high98Very high53 Ų5316.1 Ų16.137%0.37110%0.096SC..  trans-105.68.9177.662.60000113.3G281G281-S283 PolarHBondContact O-N 3.16Å
284D98.2Very high98Very high20 Ų2021.3 Ų21.311%0.10712%0.123CC..SBendtrans-100.1175.8-173.6-133.4-34.5000113.9R33R33-D284 WeakPolarHBondContact CG-OD1 3.3Å; R33-D284 IonicContact CZ-OD1 2.74Å; R33-D284 IonicContact CZ-OD2 3.72Å; R33-D284 VanDerWaalsContact NE-CG 3.31Å; R33-D284 IonicContact NE-OD1 3.95Å; R33-D284 PolarHBondContact NE-OD1 2.94Å; R33-D284 IonicContact NE-OD2 3.56Å; R33-D284 PolarHBondContact NE-OD2 3.05Å; R33-D284 VanDerWaalsContact NH2-CG 3.34Å; R33-D284 IonicContact NH2-OD1 4Å; R33-D284 PolarHBondContact NH2-OD1 2.94Å; R33-D284 IonicContact NH2-OD2 3.26Å; R33-D284 PolarHBondContact NH2-OD2 3.19Å
285N98.6Very high98Very high2 Ų223.3 Ų23.31%0.01114%0.136CC..  trans-61.2146.5154.7-64.7158.4000108.7Q30 R33 S35 M36 E37 D38 C240Q30-N285 PolarHBondContact O-ND2 3.34Å; R33-N285 WeakPolarHBondContact CB-ND2 3.34Å; S35-N285 PolarHBondContact O-ND2 2.95Å; S35-N285 PolarHBondContact O-OD1 3.4Å; M36-N285 HydrophobicContact SD-CB 3.97Å; E37-N285 PolarHBondContact N-OD1 2.9Å; D38-N285 HydrophobicContact CB-CB 4.49Å; C240-N285 PolarHBondContact SG-O 3.38Å; C240-N285 VanDerWaalsContact SG-O 3.4Å
286M98.8Very high98Very high0 Ų022.4 Ų22.40%013%0.132CC..EExtended strand (participates in β ladder)trans-133.2116-176.7-80.6172.3-90.200108.8S28 M29 I243 I274 C277 L278S28-M286 CarbonylContact C-O 3.52Å; S28-M286 WeakPolarHBondContact CA-O 3.49Å; M29-M286 HydrophobicContact CE-CE 3.23Å; M29-M286 HydrophobicContact CE-SD 4.09Å; M29-M286 PolarHBondContact N-O 3.29Å; M29-M286 PolarHBondContact O-N 3.17Å; I243-M286 HydrophobicContact CD1-CB 3.88Å; I243-M286 HydrophobicContact CD1-CG 3.86Å; I243-M286 HydrophobicContact CD1-SD 4.33Å; I274-M286 HydrophobicContact CG1-CB 4.27Å; I274-M286 HydrophobicContact CG2-CB 4.13Å; I274-M286 HydrophobicContact CG2-SD 4.12Å; C277-M286 HydrophobicContact CB-SD 3.57Å; C277-M286 VanDerWaalsContact CB-SD 3.57Å; L278-M286 HydrophobicContact CB-CE 4.23Å; L278-M286 HydrophobicContact CD1-CE 4.01Å
287S98.9Very high98.1Very high0 Ų022.6 Ų22.60%013%0.133CC..EExtended strand (participates in β ladder)trans-132.8133.8178.5-61.10000110.4S28 D38 A239 C240S28-S287 VanDerWaalsContact CB-OG 3.31Å; S28-S287 WeakPolarHBondContact CB-OG 3.24Å; D38-S287 WeakPolarHBondContact CB-OG 3.29Å; D38-S287 VanDerWaalsContact OD2-CB 3.27Å; D38-S287 WeakPolarHBondContact OD2-CB 3.42Å; D38-S287 PolarHBondContact OD2-N 2.96Å; D38-S287 PolarHBondContact OD2-OG 3.17Å; A239-S287 WeakPolarHBondContact CA-O 3.47Å; A239-S287 WeakPolarHBondContact CB-O 3.38Å; C240-S287 PolarHBondContact N-O 3.11Å; C240-S287 VanDerWaalsContact N-O 3.15Å; C240-S287 PolarHBondContact SG-N 2.62Å
288M98.8Very high98Very high0 Ų028 Ų280%015%0.154CC..EExtended strand (participates in β ladder)trans-141.8131.8-178.7-176.8-176.3-167.300110.9I26 S27 V237 L238 A239 I252 L256 C270 T273I26-M288 WeakPolarHBondContact CA-O 3.01Å; S27-M288 PolarHBondContact N-O 3.07Å; S27-M288 PolarHBondContact O-N 3.45Å; V237-M288 HydrophobicContact CB-CE 4.42Å; V237-M288 HydrophobicContact CG1-CE 3.4Å; V237-M288 VanDerWaalsContact CG1-CE 3.4Å; V237-M288 HydrophobicContact CG1-CG 4.16Å; V237-M288 HydrophobicContact CG2-CE 4.14Å; L238-M288 CarbonylContact O-C 3.54Å; L238-M288 WeakPolarHBondContact O-CA 3.25Å; A239-M288 HydrophobicContact CB-CB 4.18Å; A239-M288 HydrophobicContact CB-CG 4.21Å; I252-M288 HydrophobicContact CD1-CE 4.46Å; I252-M288 HydrophobicContact CG2-CE 4.33Å; L256-M288 HydrophobicContact CD1-CE 4.18Å; L256-M288 HydrophobicContact CD2-CE 4.29Å; C270-M288 HydrophobicContact CB-SD 4.3Å; T273-M288 HydrophobicContact CG2-CE 4.37Å; T273-M288 HydrophobicContact CG2-SD 3.9Å
289V98.9Very high98Very high0 Ų029 Ų290%016%0.161CC..EExtended strand (participates in β ladder)trans-111.9121.6168.7-179.80000108.4I26 H40 F56 V58 V237 L238 V291I26-V289 HydrophobicContact CD1-CG2 4.19Å; I26-V289 HydrophobicContact CG1-CG1 4.29Å; I26-V289 HydrophobicContact CG1-CG2 4.05Å; I26-V289 HydrophobicContact CG2-CG2 4.08Å; H40-V289 HydrophobicContact CB-CG2 4.29Å; F56-V289 HydrophobicContact CB-CG1 4.14Å; F56-V289 HydrophobicContact CD1-CG1 3.97Å; F56-V289 HydrophobicContact CG-CG1 4.39Å; V58-V289 HydrophobicContact CG2-CB 4.32Å; V58-V289 HydrophobicContact CG2-CG2 3.66Å; V237-V289 WeakPolarHBondContact CA-O 3.43Å; L238-V289 HydrophobicContact CB-CB 4.33Å; L238-V289 HydrophobicContact CD1-CB 4.25Å; L238-V289 HydrophobicContact CD1-CG1 4.28Å; L238-V289 PolarHBondContact N-O 3.25Å; L238-V289 PolarHBondContact O-N 2.86Å; V289-V291 HydrophobicContact CG1-CG2 4.05Å
290L98.9Very high98.1Very high0 Ų027.8 Ų27.80%016%0.16CC..EExtended strand (participates in β ladder)trans-109.9118.6177.4176.361.3000109.1Y24 G25 I235 V237 L256 L266 I269 C270Y24-L290 CarbonylContact C-O 3.48Å; Y24-L290 WeakPolarHBondContact CA-O 3.42Å; Y24-L290 WeakPolarHBondContact CB-O 3.42Å; G25-L290 PolarHBondContact N-O 3.26Å; G25-L290 PolarHBondContact O-N 3.48Å; I235-L290 HydrophobicContact CG2-CD1 3.28Å; V237-L290 HydrophobicContact CG2-CD1 4.02Å; L256-L290 HydrophobicContact CD1-CD1 3.72Å; L256-L290 HydrophobicContact CD2-CD1 4.07Å; L256-L290 HydrophobicContact CD2-CD2 3.85Å; L256-L290 HydrophobicContact CG-CD1 4.48Å; L266-L290 HydrophobicContact CB-CD2 4.05Å; L266-L290 HydrophobicContact CB-CG 4.45Å; L266-L290 HydrophobicContact CD2-CD2 4.02Å; L266-L290 HydrophobicContact CG-CD2 4.48Å; I269-L290 HydrophobicContact CB-CD2 4.24Å; I269-L290 HydrophobicContact CG2-CD2 4.11Å; C270-L290 WeakPolarHBondContact SG-CB 3.5Å
291V98.9Very high98.2Very high0 Ų029.4 Ų29.40%018%0.177CC..EExtended strand (participates in β ladder)trans-114.4122.7178.3-174.40000109L22 R23 F56 I136 I235 I236 V289L22-V291 HydrophobicContact CB-CG1 4.22Å; L22-V291 HydrophobicContact CD1-CG1 4.19Å; L22-V291 HydrophobicContact CD2-CG1 4.4Å; R23-V291 CarbonylContact O-C 3.46Å; R23-V291 WeakPolarHBondContact O-CA 3.18Å; F56-V291 HydrophobicContact CB-CG2 4.3Å; F56-V291 HydrophobicContact CD1-CG2 3.79Å; F56-V291 HydrophobicContact CD2-CG1 4.45Å; F56-V291 HydrophobicContact CD2-CG2 3.75Å; F56-V291 HydrophobicContact CE1-CG2 3.98Å; F56-V291 HydrophobicContact CE2-CG1 3.95Å; F56-V291 HydrophobicContact CE2-CG2 3.93Å; F56-V291 HydrophobicContact CG-CG2 3.67Å; F56-V291 HydrophobicContact CZ-CG1 4.12Å; F56-V291 HydrophobicContact CZ-CG2 4.04Å; I136-V291 HydrophobicContact CD1-CG1 4.23Å; I235-V291 CarbonylContact C-O 3.57Å; I235-V291 VanDerWaalsContact CA-O 3.28Å; I235-V291 WeakPolarHBondContact CA-O 3.12Å; I236-V291 HydrophobicContact CB-CB 4.26Å; I236-V291 PolarHBondContact N-O 3.07Å; I236-V291 PolarHBondContact O-N 3.43Å; V289-V291 HydrophobicContact CG1-CG2 4.05Å
292A98.8Very high98.2Very high1 Ų130.8 Ų30.81%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-107126.3178.200000110.8L22 R23 M260 L266 A296L22-A292 WeakPolarHBondContact CA-O 3.3Å; R23-A292 PolarHBondContact N-O 3.08Å; R23-A292 PolarHBondContact O-N 3.48Å; M260-A292 HydrophobicContact CE-CB 3.72Å; L266-A292 HydrophobicContact CD1-CB 3.73Å; A292-A296 HydrophobicContact CB-CB 3.85Å
293F98.6Very high98.1Very high4 Ų432.1 Ų32.12%0.01818%0.183CC..  trans-82.5174.5167.4-64.7-85.8000111.1L22 I136 I141 L153 D233 E234 I236 A296L22-F293 HydrophobicContact CD2-CD1 3.24Å; L22-F293 HydrophobicContact CD2-CE1 3.39Å; L22-F293 HydrophobicContact CD2-CG 4.03Å; L22-F293 HydrophobicContact CD2-CZ 4.26Å; I136-F293 HydrophobicContact CD1-CE1 4.48Å; I136-F293 HydrophobicContact CD1-CZ 4.03Å; I136-F293 HydrophobicContact CG2-CE1 4.06Å; I136-F293 HydrophobicContact CG2-CZ 4.36Å; I141-F293 HydrophobicContact CD1-CZ 4.01Å; I141-F293 HydrophobicContact CG1-CZ 4.4Å; L153-F293 HydrophobicContact CD1-CE2 4.4Å; D233-F293 HydrophobicContact CB-CD2 4.05Å; D233-F293 HydrophobicContact CB-CE2 4.38Å; D233-F293 HydrophobicContact CB-CG 4.15Å; D233-F293 VanDerWaalsContact O-CB 3.23Å; D233-F293 WeakPolarHBondContact O-CB 3.37Å; E234-F293 PolarHBondContact O-N 2.95Å; I236-F293 HydrophobicContact CD1-CE2 3.65Å; I236-F293 HydrophobicContact CD1-CZ 3.64Å; I236-F293 HydrophobicContact CG1-CE2 3.86Å; I236-F293 HydrophobicContact CG1-CZ 4.37Å; F293-A296 WeakPolarHBondContact O-CB 3.44Å; F293-A296 PolarHBondContact O-N 3.49Å; F293-A296 VanDerWaalsContact O-N 3.13Å
294D97.5Very high98Very high109 Ų10933.8 Ų33.858%0.58318%0.184SC*.THydrogen-bonded Turntrans-57-44.8-179.7-73.4-31.4000114.2A296 R298D294-A296 PolarHBondContact O-N 2.95Å; D294-R298 IonicContact OD1-NH2 2.67Å
295P98Very high98Very high42 Ų4236.2 Ų36.227%0.27320%0.199SC..THydrogen-bonded Turntrans-67.8-8.8176.6-22.133.6000115.8K230 D233 E234K230-P295 WeakPolarHBondContact O-CG 3.2Å; D233-P295 WeakPolarHBondContact O-CB 3.32Å; D233-P295 VanDerWaalsContact O-CD 3.22Å; D233-P295 WeakPolarHBondContact O-CD 3.25Å; D233-P295 VanDerWaalsContact O-CG 3.29Å; D233-P295 WeakPolarHBondContact O-CG 3.36Å; E234-P295 HydrophobicContact CG-CB 4.18Å
296A98.5Very high97.7Very high3 Ų342.1 Ų42.13%0.02523%0.227CC..SBendtrans-55.8148.7-179.400000111.6E234 I235 M260 A292 F293 D294 R298E234-A296 HydrophobicContact CB-CB 4.44Å; E234-A296 VanDerWaalsContact O-CB 3.23Å; E234-A296 WeakPolarHBondContact O-CB 3.3Å; I235-A296 HydrophobicContact CG1-CB 4.2Å; M260-A296 HydrophobicContact CE-CB 3.57Å; A292-A296 HydrophobicContact CB-CB 3.85Å; F293-A296 WeakPolarHBondContact O-CB 3.44Å; F293-A296 PolarHBondContact O-N 3.49Å; F293-A296 VanDerWaalsContact O-N 3.13Å; D294-A296 PolarHBondContact O-N 2.95Å; A296-R298 PolarHBondContact O-N 2.86Å
297P98Very high97.5Very high11 Ų1142.8 Ų42.87%0.07123%0.231CC..  trans-52.2137.6176.7-24.132.9000111.5Q257 M260 R261Q257-P297 VanDerWaalsContact OE1-CG 3.32Å; M260-P297 HydrophobicContact CB-CB 3.97Å; M260-P297 WeakPolarHBondContact CE-O 3.18Å; R261-P297 HydrophobicContact CG-CB 4.01Å
298R96.7Very high97.3Very high113 Ų11347.3 Ų47.343%0.42625%0.251SS..  trans-109.5160.3175.4-60.1-63-177143.62.2108.9M260 R261 D294 A296 D300M260-R298 CarbonylContact O-C 3.55Å; R261-R298 WeakPolarHBondContact CA-O 3.49Å; D294-R298 IonicContact OD1-NH2 2.67Å; A296-R298 PolarHBondContact O-N 2.86Å; R298-D300 PolarHBondContact O-N 2.98Å
299V98.2Very high97.1Very high47 Ų4752 Ų5229%0.28528%0.276SS..  trans-55.1122.5177.3177.20000110.4M260 R261 D264 K304M260-V299 PolarHBondContact O-N 2.91Å; R261-V299 CarbonylContact O-C 3.54Å; R261-V299 WeakPolarHBondContact O-CA 3.49Å; D264-V299 HydrophobicContact CB-CG2 3.69Å; V299-K304 HydrophobicContact CG1-CB 3.94Å; V299-K304 HydrophobicContact CG1-CD 3.87Å; V299-K304 HydrophobicContact CG1-CG 4.47Å
300D97.8Very high96.8Very high54 Ų5453.8 Ų53.829%0.28929%0.286SS..  trans-94.5123.3168.5-177.9-68.3000107.7R261 R298 T302 C303 K304R261-D300 HydrophobicContact CB-CB 4.4Å; R261-D300 PolarHBondContact O-N 2.84Å; R298-D300 PolarHBondContact O-N 2.98Å; D300-T302 PolarHBondContact O-N 2.79Å; D300-T302 VanDerWaalsContact O-N 3.14Å; D300-T302 WeakPolarHBondContact OD1-CA 3.5Å; D300-T302 WeakPolarHBondContact OD1-CB 3.33Å; D300-T302 PolarHBondContact OD1-N 2.84Å; D300-T302 PolarHBondContact OD1-OG1 3.16Å; D300-C303 HydrophobicContact CB-CB 3.97Å; D300-C303 PolarHBondContact O-N 2.99Å; D300-C303 PolarHBondContact OD1-N 2.81Å; D300-K304 WeakPolarHBondContact O-CB 3.5Å; D300-K304 PolarHBondContact O-N 3.05Å
301P97.9Very high96.6Very high96 Ų9655.5 Ų55.562%0.62329%0.294SS*.Hα-helixtrans-56.4-31.7-177.7-27.635.3000114.2T305P301-T305 WeakPolarHBondContact O-CB 3.3Å; P301-T305 PolarHBondContact O-N 3.01Å; P301-T305 VanDerWaalsContact O-N 3.1Å; P301-T305 PolarHBondContact O-OG1 2.84Å
302T97.3Very high96.4Very high85 Ų8559 Ų5952%0.52132%0.318SS..Hα-helixtrans-71.6-52.4177.9-42.90000109.7D300 K304 T305 E306D300-T302 PolarHBondContact O-N 2.79Å; D300-T302 VanDerWaalsContact O-N 3.14Å; D300-T302 WeakPolarHBondContact OD1-CA 3.5Å; D300-T302 WeakPolarHBondContact OD1-CB 3.33Å; D300-T302 PolarHBondContact OD1-N 2.84Å; D300-T302 PolarHBondContact OD1-OG1 3.16Å; T302-K304 VanDerWaalsContact C-N 3.29Å; T302-K304 PolarHBondContact O-N 3.5Å; T302-T305 PolarHBondContact O-N 3.21Å; T302-T305 VanDerWaalsContact O-N 3.16Å; T302-E306 WeakPolarHBondContact O-CG 3.44Å; T302-E306 PolarHBondContact O-N 2.84Å
303C95.4Very high96.2Very high35 Ų3562.1 Ų62.124%0.23634%0.337CS..Hα-helixtrans-58.4-41.7178.2-63.20000111.8R261 D300 E306 D307R261-C303 HydrophobicContact CB-CB 4.07Å; D300-C303 HydrophobicContact CB-CB 3.97Å; D300-C303 PolarHBondContact O-N 2.99Å; D300-C303 PolarHBondContact OD1-N 2.81Å; C303-E306 PolarHBondContact O-N 2.99Å; C303-D307 WeakPolarHBondContact O-CB 3.34Å; C303-D307 PolarHBondContact O-N 3.47Å
304K96Very high96Very high87 Ų8762 Ų6238%0.37834%0.337SS..Hα-helixtrans-60.2-48.9175.2177.5172.8174.9177.70112.3V299 D300 T302 E306 D307 E308V299-K304 HydrophobicContact CG1-CB 3.94Å; V299-K304 HydrophobicContact CG1-CD 3.87Å; V299-K304 HydrophobicContact CG1-CG 4.47Å; D300-K304 WeakPolarHBondContact O-CB 3.5Å; D300-K304 PolarHBondContact O-N 3.05Å; T302-K304 VanDerWaalsContact C-N 3.29Å; T302-K304 PolarHBondContact O-N 3.5Å; K304-E306 VanDerWaalsContact C-N 3.33Å; K304-E306 PolarHBondContact O-N 3.05Å; K304-D307 PolarHBondContact O-N 2.74Å; K304-E308 WeakPolarHBondContact CE-OE1 3.43Å; K304-E308 HydrophobicContact CG-CG 4.47Å; K304-E308 IonicContact NZ-OE1 2.8Å; K304-E308 WeakPolarHBondContact O-CG 3.37Å; K304-E308 PolarHBondContact O-N 2.87Å
305T96.6Very high96Very high71 Ų7158.3 Ų58.344%0.43632%0.317SS..Hα-helixtrans-63.5-40.9-179.7-57.10000111.3P301 T302 N309P301-T305 WeakPolarHBondContact O-CB 3.3Å; P301-T305 PolarHBondContact O-N 3.01Å; P301-T305 VanDerWaalsContact O-N 3.1Å; P301-T305 PolarHBondContact O-OG1 2.84Å; T302-T305 PolarHBondContact O-N 3.21Å; T302-T305 VanDerWaalsContact O-N 3.16Å; T305-N309 WeakPolarHBondContact O-CB 3.46Å; T305-N309 VanDerWaalsContact O-CG 3.23Å; T305-N309 PolarHBondContact O-N 3.29Å; T305-N309 PolarHBondContact O-ND2 3.33Å; T305-N309 VanDerWaalsContact O-ND2 3.08Å
306E93.3Very high95.9Very high126 Ų12660.9 Ų60.959%0.58933%0.325SS*.Hα-helixtrans-63.8-41175.4-71.5176.8172.300112T302 C303 K304 N309 L310T302-E306 WeakPolarHBondContact O-CG 3.44Å; T302-E306 PolarHBondContact O-N 2.84Å; C303-E306 PolarHBondContact O-N 2.99Å; K304-E306 VanDerWaalsContact C-N 3.33Å; K304-E306 PolarHBondContact O-N 3.05Å; E306-N309 PolarHBondContact O-N 3.34Å; E306-L310 WeakPolarHBondContact O-CB 3.44Å; E306-L310 PolarHBondContact O-N 3.12Å
307D94.1Very high95.8Very high15 Ų1565.7 Ų65.78%0.0834%0.343CS..Hα-helixtrans-64.8-44.3176.4-169.661.6000112.7R259 C262 C303 K304 N309 L310 E311 K355R259-D307 IonicContact CZ-OD1 2.69Å; R259-D307 IonicContact CZ-OD2 2.7Å; R259-D307 IonicContact NH1-OD1 3.37Å; R259-D307 PolarHBondContact NH1-OD1 2.89Å; R259-D307 IonicContact NH1-OD2 2.67Å; R259-D307 PolarHBondContact NH1-OD2 2.87Å; R259-D307 IonicContact NH2-OD1 3.38Å; R259-D307 IonicContact NH2-OD2 2.9Å; R259-D307 PolarHBondContact NH2-OD2 2.93Å; C262-D307 HydrophobicContact CB-CB 3.82Å; C303-D307 WeakPolarHBondContact O-CB 3.34Å; C303-D307 PolarHBondContact O-N 3.47Å; K304-D307 PolarHBondContact O-N 2.74Å; D307-N309 VanDerWaalsContact C-N 3.33Å; D307-N309 PolarHBondContact O-N 3.25Å; D307-L310 PolarHBondContact O-N 2.99Å; D307-E311 WeakPolarHBondContact O-CB 3.33Å; D307-E311 PolarHBondContact O-N 3Å; D307-K355 WeakPolarHBondContact OD1-CE 3.25Å; D307-K355 IonicContact OD1-NZ 3.52Å; D307-K355 WeakPolarHBondContact OD2-CE 3.22Å; D307-K355 IonicContact OD2-NZ 3.53Å; D307-K355 PolarHBondContact OD2-NZ 3.5Å
308E95Very high95.7Very high94 Ų9465.2 Ų65.244%0.43934%0.34SS..Hα-helixtrans-64-38.6177.3-73173.8169.700111.8K304 S312K304-E308 WeakPolarHBondContact CE-OE1 3.43Å; K304-E308 HydrophobicContact CG-CG 4.47Å; K304-E308 IonicContact NZ-OE1 2.8Å; K304-E308 WeakPolarHBondContact O-CG 3.37Å; K304-E308 PolarHBondContact O-N 2.87Å; E308-S312 WeakPolarHBondContact O-CB 3.49Å; E308-S312 PolarHBondContact O-N 2.87Å; E308-S312 PolarHBondContact O-OG 2.67Å
309N94.4Very high95.7Very high98 Ų9864.4 Ų64.452%0.52434%0.339SS..Hα-helixtrans-66.3-45174.1-75.2-32.8000111.7T305 E306 D307 S312 V313T305-N309 WeakPolarHBondContact O-CB 3.46Å; T305-N309 VanDerWaalsContact O-CG 3.23Å; T305-N309 PolarHBondContact O-N 3.29Å; T305-N309 PolarHBondContact O-ND2 3.33Å; T305-N309 VanDerWaalsContact O-ND2 3.08Å; E306-N309 PolarHBondContact O-N 3.34Å; D307-N309 VanDerWaalsContact C-N 3.33Å; D307-N309 PolarHBondContact O-N 3.25Å; N309-S312 PolarHBondContact O-N 2.79Å; N309-V313 WeakPolarHBondContact O-CG2 3.47Å; N309-V313 PolarHBondContact O-N 2.7Å
310L92.7Very high95.7Very high38 Ų3864.8 Ų64.820%0.19934%0.338CS..Hα-helixtrans-59.1-49.1176.3176.561.2000110.8E306 D307 S312 V313 L314 L346E306-L310 WeakPolarHBondContact O-CB 3.44Å; E306-L310 PolarHBondContact O-N 3.12Å; D307-L310 PolarHBondContact O-N 2.99Å; L310-S312 VanDerWaalsContact C-N 3.33Å; L310-S312 PolarHBondContact O-N 3.32Å; L310-V313 PolarHBondContact O-N 3.24Å; L310-L314 HydrophobicContact CD1-CD1 4.08Å; L310-L314 HydrophobicContact CD1-CG 4.11Å; L310-L314 HydrophobicContact CG-CD1 3.91Å; L310-L314 HydrophobicContact CG-CG 4.38Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.47Å; L310-L314 PolarHBondContact O-N 3.12Å; L310-L346 HydrophobicContact CD1-CD2 4.12Å
311E94.4Very high95.6Very high36 Ų3663 Ų6317%0.16833%0.328CS..Hα-helixtrans-55.8-48176.6-176.6175.6119.700111.4D307 V313 L314 L315 K355 K358D307-E311 WeakPolarHBondContact O-CB 3.33Å; D307-E311 PolarHBondContact O-N 3Å; E311-V313 VanDerWaalsContact C-N 3.31Å; E311-V313 PolarHBondContact O-N 3.23Å; E311-L314 PolarHBondContact O-N 3.2Å; E311-L315 HydrophobicContact CG-CD1 3.87Å; E311-L315 HydrophobicContact CG-CG 4.22Å; E311-L315 VanDerWaalsContact O-CG 3.3Å; E311-L315 WeakPolarHBondContact O-CG 3.19Å; E311-L315 PolarHBondContact O-N 3.06Å; E311-K355 HydrophobicContact CB-CD 4.18Å; E311-K355 HydrophobicContact CB-CG 4.41Å; E311-K355 HydrophobicContact CG-CD 4.1Å; E311-K355 HydrophobicContact CG-CG 4.5Å; E311-K355 VanDerWaalsContact OE2-CD 3.3Å; E311-K355 WeakPolarHBondContact OE2-CD 3.49Å; E311-K355 WeakPolarHBondContact OE2-CE 3.05Å; E311-K355 IonicContact OE2-NZ 2.6Å; E311-K355 PolarHBondContact OE2-NZ 2.82Å; E311-K358 HydrophobicContact CG-CD 4.31Å; E311-K358 IonicContact OE1-NZ 3.59Å; E311-K358 PolarHBondContact OE1-NZ 2.91Å; E311-K358 IonicContact OE2-NZ 3.35Å; E311-K358 PolarHBondContact OE2-NZ 2.86Å
312S95.7Very high95.5Very high73 Ų7359 Ų5951%0.5130%0.301SS..Hα-helixtrans-58-43.1178.6-62.30000112.3E308 N309 L310 Q316E308-S312 WeakPolarHBondContact O-CB 3.49Å; E308-S312 PolarHBondContact O-N 2.87Å; E308-S312 PolarHBondContact O-OG 2.67Å; N309-S312 PolarHBondContact O-N 2.79Å; L310-S312 VanDerWaalsContact C-N 3.33Å; L310-S312 PolarHBondContact O-N 3.32Å; S312-Q316 VanDerWaalsContact O-CB 3.24Å; S312-Q316 WeakPolarHBondContact O-CB 3.27Å; S312-Q316 PolarHBondContact O-N 3.29Å
313V94.3Very high95.4Very high68 Ų6861.6 Ų61.641%0.41231%0.307SS..Hα-helixtrans-64-47.6176.7171.40000111.1N309 L310 E311 Q316 R317 V343N309-V313 WeakPolarHBondContact O-CG2 3.47Å; N309-V313 PolarHBondContact O-N 2.7Å; L310-V313 PolarHBondContact O-N 3.24Å; E311-V313 VanDerWaalsContact C-N 3.31Å; E311-V313 PolarHBondContact O-N 3.23Å; V313-Q316 PolarHBondContact O-N 2.99Å; V313-R317 HydrophobicContact CG1-CG 4.37Å; V313-R317 WeakPolarHBondContact O-CB 3.16Å; V313-R317 VanDerWaalsContact O-CG 3.3Å; V313-R317 WeakPolarHBondContact O-CG 3.37Å; V313-R317 PolarHBondContact O-N 3.35Å; V313-V343 HydrophobicContact CG1-CG1 4.46Å; V313-V343 HydrophobicContact CG1-CG2 4.16Å
314L95Very high95.4Very high0 Ų067.6 Ų67.60%033%0.329CS..Hα-helixtrans-61.7-46.3-179.1-67.2171.6000111.9L310 E311 R317 T318 L339 V343 L346 W352 K355 I359L310-L314 HydrophobicContact CD1-CD1 4.08Å; L310-L314 HydrophobicContact CD1-CG 4.11Å; L310-L314 HydrophobicContact CG-CD1 3.91Å; L310-L314 HydrophobicContact CG-CG 4.38Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.47Å; L310-L314 PolarHBondContact O-N 3.12Å; E311-L314 PolarHBondContact O-N 3.2Å; L314-R317 PolarHBondContact O-N 3.18Å; L314-T318 WeakPolarHBondContact O-CB 3.39Å; L314-T318 PolarHBondContact O-N 2.83Å; L314-T318 PolarHBondContact O-OG1 3.12Å; L314-L339 HydrophobicContact CD2-CD1 4.29Å; L314-L339 HydrophobicContact CD2-CD2 4.03Å; L314-V343 HydrophobicContact CD2-CG2 4.44Å; L314-L346 HydrophobicContact CD2-CD1 3.58Å; L314-L346 HydrophobicContact CD2-CD2 4.28Å; L314-L346 HydrophobicContact CD2-CG 4.45Å; L314-W352 HydrophobicContact CD1-CB 3.86Å; L314-K355 HydrophobicContact CD1-CB 3.99Å; L314-K355 HydrophobicContact CD1-CG 4.01Å; L314-I359 HydrophobicContact CB-CD1 4.43Å
315L96.5Very high95.3Very high33 Ų3366.1 Ų66.117%0.17332%0.324CS..Hα-helixtrans-67.6-37.8179.8-62.8-178.7000111.6E311 K319 K358 I359 L362E311-L315 HydrophobicContact CG-CD1 3.87Å; E311-L315 HydrophobicContact CG-CG 4.22Å; E311-L315 VanDerWaalsContact O-CG 3.3Å; E311-L315 WeakPolarHBondContact O-CG 3.19Å; E311-L315 PolarHBondContact O-N 3.06Å; L315-K319 VanDerWaalsContact O-CG 3.29Å; L315-K319 WeakPolarHBondContact O-CG 3.37Å; L315-K319 PolarHBondContact O-N 3.28Å; L315-K358 HydrophobicContact CD2-CB 3.83Å; L315-I359 HydrophobicContact CD2-CG1 4.32Å; L315-L362 HydrophobicContact CB-CD1 4.23Å; L315-L362 HydrophobicContact CD2-CD1 3.73Å
316Q96.7Very high95Very high96 Ų9664.6 Ų64.645%0.44932%0.315SS..Hα-helixtrans-65.1-46.5175.6-179.556.136.500111.6S312 V313 T318 K319 E320S312-Q316 VanDerWaalsContact O-CB 3.24Å; S312-Q316 WeakPolarHBondContact O-CB 3.27Å; S312-Q316 PolarHBondContact O-N 3.29Å; V313-Q316 PolarHBondContact O-N 2.99Å; Q316-T318 VanDerWaalsContact C-N 3.35Å; Q316-T318 PolarHBondContact O-N 2.91Å; Q316-K319 PolarHBondContact O-N 2.82Å; Q316-E320 PolarHBondContact NE2-OE1 3.45Å; Q316-E320 WeakPolarHBondContact O-CG 3.39Å; Q316-E320 PolarHBondContact O-N 3.09Å
317R95.3Very high94.7Very high104 Ų10467.1 Ų67.139%0.39233%0.325SS..Hα-helixtrans-62.4-41.8176.5-70.1-58.4-172.3-168.63.8112.4V313 L314 K319 E320 F321 L339 V343V313-R317 HydrophobicContact CG1-CG 4.37Å; V313-R317 WeakPolarHBondContact O-CB 3.16Å; V313-R317 VanDerWaalsContact O-CG 3.3Å; V313-R317 WeakPolarHBondContact O-CG 3.37Å; V313-R317 PolarHBondContact O-N 3.35Å; L314-R317 PolarHBondContact O-N 3.18Å; R317-K319 VanDerWaalsContact C-N 3.35Å; R317-K319 PolarHBondContact O-N 3.03Å; R317-E320 IonicContact CZ-OE2 2.72Å; R317-E320 IonicContact NH1-OE2 3.26Å; R317-E320 PolarHBondContact NH1-OE2 2.89Å; R317-E320 PolarHBondContact O-N 2.8Å; R317-F321 WeakPolarHBondContact O-CB 3.48Å; R317-F321 PolarHBondContact O-N 3.06Å; R317-L339 HydrophobicContact CB-CD2 3.61Å; R317-V343 HydrophobicContact CG-CG2 4.24Å
318T96.9Very high94.4Very high0 Ų069.5 Ų69.50%034%0.34CS..Hα-helixtrans-57.6-47.6174.6-59.80000110.9L314 Q316 E320 F321 L322 V335 I359 L362L314-T318 WeakPolarHBondContact O-CB 3.39Å; L314-T318 PolarHBondContact O-N 2.83Å; L314-T318 PolarHBondContact O-OG1 3.12Å; Q316-T318 VanDerWaalsContact C-N 3.35Å; Q316-T318 PolarHBondContact O-N 2.91Å; T318-E320 PolarHBondContact O-N 3.05Å; T318-F321 PolarHBondContact O-N 2.85Å; T318-L322 HydrophobicContact CG2-CD1 3.82Å; T318-L322 HydrophobicContact CG2-CG 4.34Å; T318-L322 WeakPolarHBondContact O-CB 3.39Å; T318-L322 WeakPolarHBondContact O-CG 3.21Å; T318-L322 PolarHBondContact O-N 3.34Å; T318-V335 HydrophobicContact CG2-CG1 3.93Å; T318-I359 HydrophobicContact CG2-CG2 4.16Å; T318-L362 HydrophobicContact CG2-CB 4Å; T318-L362 HydrophobicContact CG2-CD1 3.81Å
319K97.1Very high94.1Very high97 Ų9771.8 Ų71.842%0.42235%0.35SS..Hα-helixtrans-60-46.5176.6-71.4169.2-174.6175.20112.2L315 Q316 R317 F321 L322 E323 L362L315-K319 VanDerWaalsContact O-CG 3.29Å; L315-K319 WeakPolarHBondContact O-CG 3.37Å; L315-K319 PolarHBondContact O-N 3.28Å; Q316-K319 PolarHBondContact O-N 2.82Å; R317-K319 VanDerWaalsContact C-N 3.35Å; R317-K319 PolarHBondContact O-N 3.03Å; K319-F321 VanDerWaalsContact C-N 3.31Å; K319-F321 PolarHBondContact O-N 3.3Å; K319-L322 PolarHBondContact O-N 2.78Å; K319-E323 WeakPolarHBondContact O-CB 3.45Å; K319-E323 WeakPolarHBondContact O-CG 3.36Å; K319-E323 PolarHBondContact O-N 2.73Å; K319-L362 HydrophobicContact CG-CD1 4.14Å; K319-L362 HydrophobicContact CG-CD2 4.41Å
320E96.8Very high94.1Very high55 Ų5567.1 Ų67.126%0.25733%0.326SS..Hα-helixtrans-59.5-41177-72.5169.8-168.700112.3Q316 R317 T318 K324Q316-E320 PolarHBondContact NE2-OE1 3.45Å; Q316-E320 WeakPolarHBondContact O-CG 3.39Å; Q316-E320 PolarHBondContact O-N 3.09Å; R317-E320 IonicContact CZ-OE2 2.72Å; R317-E320 IonicContact NH1-OE2 3.26Å; R317-E320 PolarHBondContact NH1-OE2 2.89Å; R317-E320 PolarHBondContact O-N 2.8Å; T318-E320 PolarHBondContact O-N 3.05Å; E320-K324 WeakPolarHBondContact O-CG 3.39Å; E320-K324 PolarHBondContact O-N 2.88Å
321F96.6Very high94.1Very high17 Ų1767.5 Ų67.58%0.07533%0.33CS..Hα-helixtrans-64.4-47.7176.4-176.2-87.4000111.5R317 T318 K319 E323 K324 H325 V330 M334 V335 D338R317-F321 WeakPolarHBondContact O-CB 3.48Å; R317-F321 PolarHBondContact O-N 3.06Å; T318-F321 PolarHBondContact O-N 2.85Å; K319-F321 VanDerWaalsContact C-N 3.31Å; K319-F321 PolarHBondContact O-N 3.3Å; F321-E323 VanDerWaalsContact C-N 3.34Å; F321-E323 PolarHBondContact O-N 2.66Å; F321-K324 PolarHBondContact O-N 2.97Å; F321-H325 AromaticContact CD1-ND1 3.7Å; F321-H325 AromaticContact CD2-CE1 3.8Å; F321-H325 AromaticContact CD2-ND1 3.85Å; F321-H325 AromaticContact CE1-CE1 3.9Å; F321-H325 AromaticContact CE1-ND1 3.5Å; F321-H325 AromaticContact CE2-CE1 3.33Å; F321-H325 WeakPolarHBondContact CE2-CE1 3.07Å; F321-H325 AromaticContact CE2-ND1 3.68Å; F321-H325 AromaticContact CG-ND1 3.88Å; F321-H325 AromaticContact CZ-CE1 3.39Å; F321-H325 WeakPolarHBondContact CZ-CE1 3.35Å; F321-H325 AromaticContact CZ-ND1 3.51Å; F321-H325 PolarHBondContact O-N 2.69Å; F321-H325 PolarHBondContact O-ND1 2.82Å; F321-V330 HydrophobicContact CD1-CG1 4.35Å; F321-V330 HydrophobicContact CE1-CG1 3.86Å; F321-V330 HydrophobicContact CE1-CG2 4.44Å; F321-M334 HydrophobicContact CE1-CB 4.28Å; F321-M334 HydrophobicContact CZ-CB 4.05Å; F321-M334 HydrophobicContact CZ-CE 4.28Å; F321-V335 HydrophobicContact CD1-CG2 3.76Å; F321-V335 HydrophobicContact CE1-CG2 3.92Å; F321-D338 HydrophobicContact CD2-CB 3.51Å; F321-D338 HydrophobicContact CE2-CB 3.59Å; F321-D338 HydrophobicContact CG-CB 4.35Å
322L96.5Very high94Very high10 Ų1066.4 Ų66.45%0.05233%0.325CS..Hα-helixtrans-62.7-40179.4-67.3171.5000111.6T318 K319 H325 S326 V330 V335 L362 I363 H366T318-L322 HydrophobicContact CG2-CD1 3.82Å; T318-L322 HydrophobicContact CG2-CG 4.34Å; T318-L322 WeakPolarHBondContact O-CB 3.39Å; T318-L322 WeakPolarHBondContact O-CG 3.21Å; T318-L322 PolarHBondContact O-N 3.34Å; K319-L322 PolarHBondContact O-N 2.78Å; L322-H325 CarbonylContact O-C 3.55Å; L322-H325 VanDerWaalsContact O-C 3.23Å; L322-H325 PolarHBondContact O-N 2.79Å; L322-S326 PolarHBondContact O-N 3.17Å; L322-V330 HydrophobicContact CD2-CB 4.11Å; L322-V330 HydrophobicContact CD2-CG1 3.76Å; L322-V330 HydrophobicContact CD2-CG2 4.2Å; L322-V335 HydrophobicContact CD2-CG2 4.41Å; L322-L362 HydrophobicContact CD1-CB 3.99Å; L322-I363 HydrophobicContact CD2-CG1 4.39Å; L322-H366 HydrophobicContact CD1-CB 4.11Å; L322-H366 HydrophobicContact CD2-CB 3.97Å; L322-H366 HydrophobicContact CG-CB 4.44Å; L322-H366 PolarHBondContact O-CE1 3.29Å
323E95.1Very high93.9Very high141 Ų14167.9 Ų67.966%0.65932%0.324SS*.Hα-helixtrans-61.1-45.7175.2-76.2176.6-176.600112.4K319 F321 H325 S326K319-E323 WeakPolarHBondContact O-CB 3.45Å; K319-E323 WeakPolarHBondContact O-CG 3.36Å; K319-E323 PolarHBondContact O-N 2.73Å; F321-E323 VanDerWaalsContact C-N 3.34Å; F321-E323 PolarHBondContact O-N 2.66Å; E323-H325 PolarHBondContact O-N 3.11Å; E323-S326 VanDerWaalsContact O-CB 3.25Å; E323-S326 WeakPolarHBondContact O-CB 3.31Å; E323-S326 PolarHBondContact O-N 3.32Å; E323-S326 PolarHBondContact O-OG 2.96Å
324K94.8Very high93.9Very high161 Ų16167.7 Ų67.770%0.732%0.319SS*.Hα-helixtrans-61.2-33175.3-71.9170.9-173.81700112.3E320 F321E320-K324 WeakPolarHBondContact O-CG 3.39Å; E320-K324 PolarHBondContact O-N 2.88Å; F321-K324 PolarHBondContact O-N 2.97Å
325H93.8Very high93.9Very high56 Ų5667.7 Ų67.726%0.25932%0.319SS..THydrogen-bonded Turntrans-101.826.8-179.6-64.291.7000113.1F321 L322 E323 K327 T328 V330 H366F321-H325 AromaticContact CD1-ND1 3.7Å; F321-H325 AromaticContact CD2-CE1 3.8Å; F321-H325 AromaticContact CD2-ND1 3.85Å; F321-H325 AromaticContact CE1-CE1 3.9Å; F321-H325 AromaticContact CE1-ND1 3.5Å; F321-H325 AromaticContact CE2-CE1 3.33Å; F321-H325 WeakPolarHBondContact CE2-CE1 3.07Å; F321-H325 AromaticContact CE2-ND1 3.68Å; F321-H325 AromaticContact CG-ND1 3.88Å; F321-H325 AromaticContact CZ-CE1 3.39Å; F321-H325 WeakPolarHBondContact CZ-CE1 3.35Å; F321-H325 AromaticContact CZ-ND1 3.51Å; F321-H325 PolarHBondContact O-N 2.69Å; F321-H325 PolarHBondContact O-ND1 2.82Å; L322-H325 CarbonylContact O-C 3.55Å; L322-H325 VanDerWaalsContact O-C 3.23Å; L322-H325 PolarHBondContact O-N 2.79Å; E323-H325 PolarHBondContact O-N 3.11Å; H325-K327 PolarHBondContact O-N 3.43Å; H325-T328 WeakPolarHBondContact CB-OG1 3.49Å; H325-T328 PolarHBondContact O-N 2.84Å; H325-T328 VanDerWaalsContact O-N 3.11Å; H325-T328 VanDerWaalsContact O-O 3.1Å; H325-T328 PolarHBondContact O-OG1 3.26Å; H325-V330 HydrophobicContact CB-CG2 3.54Å; H325-H366 PolarHBondContact O-NE2 3.29Å
326S89.6Confident93.7Very high38 Ų3866.3 Ų66.327%0.26631%0.312SS..THydrogen-bonded Turntrans-65.4-6.9-176.658.30000116.6L322 E323 R373L322-S326 PolarHBondContact O-N 3.17Å; E323-S326 VanDerWaalsContact O-CB 3.25Å; E323-S326 WeakPolarHBondContact O-CB 3.31Å; E323-S326 PolarHBondContact O-N 3.32Å; E323-S326 PolarHBondContact O-OG 2.96Å; S326-R373 PolarHBondContact O-NH1 3.34Å
327K87.4Confident93.5Very high180 Ų18067.7 Ų67.778%0.78332%0.319SS*.THydrogen-bonded Turntrans-116.76178.3-62-176.1-178.4178.30113.4H325H325-K327 PolarHBondContact O-N 3.43Å
328T88.3Confident93.4Very high65 Ų6564.9 Ų64.940%0.39931%0.312SS..SBendtrans-127.8151.4-177.850.80000109.5H325 V330H325-T328 WeakPolarHBondContact CB-OG1 3.49Å; H325-T328 PolarHBondContact O-N 2.84Å; H325-T328 VanDerWaalsContact O-N 3.11Å; H325-T328 VanDerWaalsContact O-O 3.1Å; H325-T328 PolarHBondContact O-OG1 3.26Å; T328-V330 PolarHBondContact O-N 2.87Å
329E88.8Confident93.2Very high141 Ų14164.9 Ų64.966%0.65931%0.312SS*.  trans-66129.7168.6-172.7170.2-170.300109.2
330V93.2Very high92.9Very high1 Ų164.5 Ų64.51%0.00631%0.311CS..  trans-110131.1-179.6175.80000108.9F321 L322 H325 T328 V335 R367F321-V330 HydrophobicContact CD1-CG1 4.35Å; F321-V330 HydrophobicContact CE1-CG1 3.86Å; F321-V330 HydrophobicContact CE1-CG2 4.44Å; L322-V330 HydrophobicContact CD2-CB 4.11Å; L322-V330 HydrophobicContact CD2-CG1 3.76Å; L322-V330 HydrophobicContact CD2-CG2 4.2Å; H325-V330 HydrophobicContact CB-CG2 3.54Å; T328-V330 PolarHBondContact O-N 2.87Å; V330-V335 HydrophobicContact CG1-CG2 3.6Å; V330-R367 PolarHBondContact O-NE 3.5Å; V330-R367 PolarHBondContact O-NH2 3.16Å; V330-R367 VanDerWaalsContact O-NH2 3.13Å
331T92.3Very high92.4Very high46 Ų4667.4 Ų67.428%0.28233%0.333SS..  trans-99.4161.8172.185.10000111.9E333 M334 V335T331-E333 VanDerWaalsContact C-N 3.28Å; T331-E333 WeakPolarHBondContact CB-OE2 3.41Å; T331-E333 PolarHBondContact O-N 2.98Å; T331-E333 PolarHBondContact OG1-N 3.1Å; T331-E333 PolarHBondContact OG1-OE2 2.8Å; T331-M334 HydrophobicContact CG2-SD 4.2Å; T331-M334 PolarHBondContact O-N 2.93Å; T331-M334 WeakPolarHBondContact OG1-CG 3.5Å; T331-M334 PolarHBondContact OG1-N 2.87Å; T331-V335 PolarHBondContact O-N 2.84Å
332T93.1Very high91.9Very high12 Ų1269 Ų697%0.07435%0.346CS..Hα-helixtrans-64.7-38.5177.7-53.50000110.5Y279 M334 V335 V336 I356 Q360 I363Y279-T332 HydrophobicContact CD2-CG2 4.16Å; Y279-T332 HydrophobicContact CE2-CG2 4Å; T332-M334 PolarHBondContact O-N 3.28Å; T332-V335 PolarHBondContact O-N 3.16Å; T332-V336 HydrophobicContact CG2-CG2 4.36Å; T332-V336 WeakPolarHBondContact O-CG2 3.5Å; T332-V336 PolarHBondContact O-N 3.11Å; T332-I356 HydrophobicContact CG2-CD1 4.3Å; T332-Q360 VanDerWaalsContact CG2-OE1 3.29Å; T332-Q360 PolarHBondContact OG1-OE1 3.1Å; T332-I363 HydrophobicContact CG2-CD1 4.15Å
333E93.1Very high91.3Very high105 Ų10569.1 Ų69.149%0.49135%0.348SS..Hα-helixtrans-60.3-43.9177.2-56.971.8-154.700111.2T331 V335 V336 E337T331-E333 VanDerWaalsContact C-N 3.28Å; T331-E333 WeakPolarHBondContact CB-OE2 3.41Å; T331-E333 PolarHBondContact O-N 2.98Å; T331-E333 PolarHBondContact OG1-N 3.1Å; T331-E333 PolarHBondContact OG1-OE2 2.8Å; E333-V335 VanDerWaalsContact C-N 3.32Å; E333-V335 PolarHBondContact O-N 3.03Å; E333-V336 PolarHBondContact O-N 3.18Å; E333-E337 WeakPolarHBondContact O-CB 3.4Å; E333-E337 WeakPolarHBondContact O-CG 3.45Å; E333-E337 PolarHBondContact O-N 3.19Å
334M95.1Very high90Very high63 Ų6365.8 Ų65.831%0.3135%0.351SS..Hα-helixtrans-58.8-42.2177.1-68172.166.200112.4F321 T331 T332 D338F321-M334 HydrophobicContact CE1-CB 4.28Å; F321-M334 HydrophobicContact CZ-CB 4.05Å; F321-M334 HydrophobicContact CZ-CE 4.28Å; T331-M334 HydrophobicContact CG2-SD 4.2Å; T331-M334 PolarHBondContact O-N 2.93Å; T331-M334 WeakPolarHBondContact OG1-CG 3.5Å; T331-M334 PolarHBondContact OG1-N 2.87Å; T332-M334 PolarHBondContact O-N 3.28Å; M334-D338 PolarHBondContact O-N 3.45Å; M334-D338 VanDerWaalsContact O-N 3.17Å
335V95.2Very high88.7Confident0 Ų061.6 Ų61.60%034%0.342CS..Hα-helixtrans-70-42.2178.1176.20000110.5T318 F321 L322 V330 T331 T332 E333 D338 L339 I359 I363T318-V335 HydrophobicContact CG2-CG1 3.93Å; F321-V335 HydrophobicContact CD1-CG2 3.76Å; F321-V335 HydrophobicContact CE1-CG2 3.92Å; L322-V335 HydrophobicContact CD2-CG2 4.41Å; V330-V335 HydrophobicContact CG1-CG2 3.6Å; T331-V335 PolarHBondContact O-N 2.84Å; T332-V335 PolarHBondContact O-N 3.16Å; E333-V335 VanDerWaalsContact C-N 3.32Å; E333-V335 PolarHBondContact O-N 3.03Å; V335-D338 PolarHBondContact O-N 3.46Å; V335-L339 HydrophobicContact CG1-CD1 4.01Å; V335-L339 HydrophobicContact CG1-CG 4.29Å; V335-L339 VanDerWaalsContact O-CG 3.3Å; V335-L339 WeakPolarHBondContact O-CG 3.47Å; V335-L339 PolarHBondContact O-N 2.76Å; V335-I359 HydrophobicContact CG1-CG2 3.89Å; V335-I363 HydrophobicContact CB-CD1 4.03Å; V335-I363 HydrophobicContact CG1-CD1 4.29Å; V335-I363 HydrophobicContact CG2-CD1 3.9Å; V335-I363 HydrophobicContact CG2-CG1 3.97Å
336V93Very high87.5Confident4 Ų459.4 Ų59.42%0.02433%0.332CS..Hα-helixtrans-63-43.8178.5169.40000111.4Y279 T332 E333 D338 L339 Q340 W352 I356Y279-V336 HydrophobicContact CE2-CG2 3.98Å; T332-V336 HydrophobicContact CG2-CG2 4.36Å; T332-V336 WeakPolarHBondContact O-CG2 3.5Å; T332-V336 PolarHBondContact O-N 3.11Å; E333-V336 PolarHBondContact O-N 3.18Å; V336-D338 VanDerWaalsContact C-N 3.33Å; V336-D338 PolarHBondContact O-N 2.89Å; V336-L339 PolarHBondContact O-N 2.69Å; V336-Q340 HydrophobicContact CG1-CG 4.23Å; V336-Q340 WeakPolarHBondContact O-CB 3.43Å; V336-Q340 VanDerWaalsContact O-CG 3.29Å; V336-Q340 WeakPolarHBondContact O-CG 3.25Å; V336-Q340 PolarHBondContact O-N 3.12Å; V336-W352 HydrophobicContact CB-CH2 4.13Å; V336-W352 HydrophobicContact CG1-CH2 3.46Å; V336-W352 VanDerWaalsContact CG1-CH2 3.46Å; V336-W352 HydrophobicContact CG1-CZ2 3.83Å; V336-W352 HydrophobicContact CG2-CH2 3.65Å; V336-W352 HydrophobicContact CG2-CZ3 4.09Å; V336-I356 HydrophobicContact CG2-CD1 4.01Å
337E92.1Very high85.9Confident125 Ų12562.4 Ų62.458%0.58435%0.353SS*.Hα-helixtrans-59.8-42.7175.2-73.8177.2-17300111.6E333 Q340 T341E333-E337 WeakPolarHBondContact O-CB 3.4Å; E333-E337 WeakPolarHBondContact O-CG 3.45Å; E333-E337 PolarHBondContact O-N 3.19Å; E337-Q340 PolarHBondContact O-N 2.89Å; E337-T341 WeakPolarHBondContact O-CG2 3.2Å; E337-T341 PolarHBondContact O-N 2.84Å; E337-T341 VanDerWaalsContact O-N 3.1Å; E337-T341 PolarHBondContact O-OG1 3.18Å
338D93.2Very high84.3Confident45 Ų4558.8 Ų58.824%0.24135%0.35CS..Hα-helixtrans-63.8-43.6174.9-177.881.7000112.2F321 M334 V335 V336 T341 S342F321-D338 HydrophobicContact CD2-CB 3.51Å; F321-D338 HydrophobicContact CE2-CB 3.59Å; F321-D338 HydrophobicContact CG-CB 4.35Å; M334-D338 PolarHBondContact O-N 3.45Å; M334-D338 VanDerWaalsContact O-N 3.17Å; V335-D338 PolarHBondContact O-N 3.46Å; V336-D338 VanDerWaalsContact C-N 3.33Å; V336-D338 PolarHBondContact O-N 2.89Å; D338-T341 PolarHBondContact O-N 2.83Å; D338-T341 PolarHBondContact O-OG1 3.37Å; D338-S342 WeakPolarHBondContact O-CB 3.24Å; D338-S342 PolarHBondContact O-N 2.84Å; D338-S342 PolarHBondContact O-OG 2.87Å
339L93Very high83.3Confident0 Ų057.7 Ų57.70%035%0.345CS..Hα-helixtrans-62.7-45.6177.4-71.1174.8000111.4L314 R317 V335 V336 T341 S342 V343 L346 I359L314-L339 HydrophobicContact CD2-CD1 4.29Å; L314-L339 HydrophobicContact CD2-CD2 4.03Å; R317-L339 HydrophobicContact CB-CD2 3.61Å; V335-L339 HydrophobicContact CG1-CD1 4.01Å; V335-L339 HydrophobicContact CG1-CG 4.29Å; V335-L339 VanDerWaalsContact O-CG 3.3Å; V335-L339 WeakPolarHBondContact O-CG 3.47Å; V335-L339 PolarHBondContact O-N 2.76Å; V336-L339 PolarHBondContact O-N 2.69Å; L339-T341 VanDerWaalsContact C-N 3.26Å; L339-T341 PolarHBondContact O-N 3.47Å; L339-S342 PolarHBondContact O-N 2.77Å; L339-V343 HydrophobicContact CD2-CG2 4.49Å; L339-V343 WeakPolarHBondContact O-CB 3.33Å; L339-V343 PolarHBondContact O-N 3.23Å; L339-L346 HydrophobicContact CB-CD1 3.98Å; L339-L346 WeakPolarHBondContact O-CD1 3.36Å; L339-I359 HydrophobicContact CD1-CD1 3.69Å; L339-I359 HydrophobicContact CD1-CG1 4.43Å; L339-I359 HydrophobicContact CD1-CG2 4.47Å
340Q89.3Confident82.4Confident89 Ų8956.2 Ų56.242%0.41634%0.338SS..Hα-helixtrans-63.2-31.2179.3-74177.3-14.300113V336 E337V336-Q340 HydrophobicContact CG1-CG 4.23Å; V336-Q340 WeakPolarHBondContact O-CB 3.43Å; V336-Q340 VanDerWaalsContact O-CG 3.29Å; V336-Q340 WeakPolarHBondContact O-CG 3.25Å; V336-Q340 PolarHBondContact O-N 3.12Å; E337-Q340 PolarHBondContact O-N 2.89Å
341T87.9Confident81.6Confident117 Ų11759.8 Ų59.872%0.71836%0.357SS*.Hα-helixtrans-86.4-31.8177.356.90000113.7E337 D338 L339E337-T341 WeakPolarHBondContact O-CG2 3.2Å; E337-T341 PolarHBondContact O-N 2.84Å; E337-T341 VanDerWaalsContact O-N 3.1Å; E337-T341 PolarHBondContact O-OG1 3.18Å; D338-T341 PolarHBondContact O-N 2.83Å; D338-T341 PolarHBondContact O-OG1 3.37Å; L339-T341 VanDerWaalsContact C-N 3.26Å; L339-T341 PolarHBondContact O-N 3.47Å
342S85.4Confident81.3Confident50 Ų5058 Ų5835%0.3535%0.346SS..Hα-helixtrans-93.1-25.2-173.966.50000114.3D338 L339D338-S342 WeakPolarHBondContact O-CB 3.24Å; D338-S342 PolarHBondContact O-N 2.84Å; D338-S342 PolarHBondContact O-OG 2.87Å; L339-S342 PolarHBondContact O-N 2.77Å
343V82.8Confident81.2Confident13 Ų1357.9 Ų57.98%0.07934%0.344CS..SBendtrans-106.993.7178.4-174.10000108.5V313 L314 R317 L339 S345 L346V313-V343 HydrophobicContact CG1-CG1 4.46Å; V313-V343 HydrophobicContact CG1-CG2 4.16Å; L314-V343 HydrophobicContact CD2-CG2 4.44Å; R317-V343 HydrophobicContact CG-CG2 4.24Å; L339-V343 HydrophobicContact CD2-CG2 4.49Å; L339-V343 WeakPolarHBondContact O-CB 3.33Å; L339-V343 PolarHBondContact O-N 3.23Å; V343-S345 PolarHBondContact O-N 2.79Å; V343-L346 HydrophobicContact CB-CD1 3.68Å; V343-L346 HydrophobicContact CB-CG 3.68Å; V343-L346 HydrophobicContact CG1-CD1 4.07Å; V343-L346 HydrophobicContact CG1-CD2 4.19Å; V343-L346 HydrophobicContact CG1-CG 3.67Å; V343-L346 HydrophobicContact CG2-CD1 4.24Å; V343-L346 WeakPolarHBondContact O-CB 3.45Å; V343-L346 PolarHBondContact O-N 3.26Å
344G69.5Low81.2Confident70 Ų7053.1 Ų53.172%0.72232%0.322SS*.THydrogen-bonded Turntrans-58.8-13.1-17100000116.5
345S67Low81.2Confident74 Ų7450.3 Ų50.352%0.51731%0.309SS..THydrogen-bonded Turntrans-86.3-11.6174.955.60000114.5V343 S348V343-S345 PolarHBondContact O-N 2.79Å; S345-S348 PolarHBondContact O-OG 3.19Å
346L67.6Low81.3Confident9 Ų950.5 Ų50.55%0.04731%0.31CS..G310 helixtrans-81-28.7-174.4-62.3-172.1000113.8L310 L314 L339 V343 S348 S349 W352L310-L346 HydrophobicContact CD1-CD2 4.12Å; L314-L346 HydrophobicContact CD2-CD1 3.58Å; L314-L346 HydrophobicContact CD2-CD2 4.28Å; L314-L346 HydrophobicContact CD2-CG 4.45Å; L339-L346 HydrophobicContact CB-CD1 3.98Å; L339-L346 WeakPolarHBondContact O-CD1 3.36Å; V343-L346 HydrophobicContact CB-CD1 3.68Å; V343-L346 HydrophobicContact CB-CG 3.68Å; V343-L346 HydrophobicContact CG1-CD1 4.07Å; V343-L346 HydrophobicContact CG1-CD2 4.19Å; V343-L346 HydrophobicContact CG1-CG 3.67Å; V343-L346 HydrophobicContact CG2-CD1 4.24Å; V343-L346 WeakPolarHBondContact O-CB 3.45Å; V343-L346 PolarHBondContact O-N 3.26Å; L346-S348 PolarHBondContact O-N 3.01Å; L346-S349 PolarHBondContact O-N 3.48Å; L346-W352 HydrophobicContact CD1-CD2 4.41Å; L346-W352 HydrophobicContact CD1-CG 4.16Å; L346-W352 HydrophobicContact CD2-CB 3.4Å; L346-W352 HydrophobicContact CD2-CG 3.58Å; L346-W352 HydrophobicContact CG-CG 4.31Å
347S56.2Low81.4Confident102 Ų10250.7 Ų50.771%0.71331%0.312SS*.G310 helixtrans-63.7-15.7-174.962.20000113.7
348S54.9Low81.7Confident104 Ų10448.1 Ų48.173%0.72730%0.299SS*.G310 helixtrans-110.8-0.3-177.253.90000114.9S345 L346S345-S348 PolarHBondContact O-OG 3.19Å; L346-S348 PolarHBondContact O-N 3.01Å
349S66.8Low81.8Confident41 Ų4146 Ų4629%0.28729%0.288SS..  trans-150.4134.6-175.2178.40000112.6L346 N351L346-S349 PolarHBondContact O-N 3.48Å; S349-N351 PolarHBondContact O-N 3.33Å; S349-N351 VanDerWaalsContact OG-CB 3.28Å; S349-N351 WeakPolarHBondContact OG-CB 3.35Å; S349-N351 PolarHBondContact OG-N 3.18Å; S349-N351 VanDerWaalsContact OG-N 3.09Å; S349-N351 PolarHBondContact OG-ND2 2.98Å
350E70.3Confident82Confident111 Ų11147.8 Ų47.852%0.51930%0.296SS..G310 helixtrans-77.40.3170.7-68.9-160.3167.200113.2K280 W352 L353K280-E350 IonicContact NZ-OE1 3.35Å; K280-E350 IonicContact NZ-OE2 2.86Å; K280-E350 PolarHBondContact NZ-OE2 3Å; E350-W352 PolarHBondContact O-N 3.11Å; E350-L353 HydrophobicContact CB-CD1 4Å; E350-L353 HydrophobicContact CG-CD1 4.12Å; E350-L353 VanDerWaalsContact O-CB 3.29Å; E350-L353 WeakPolarHBondContact O-CB 3.3Å; E350-L353 PolarHBondContact O-N 3Å
351N75.1Confident82.3Confident76 Ų7649.5 Ų49.541%0.40630%0.304SS..G310 helixtrans-55.9-30.4-175.8-73.8-13.1000113.5N258 S349 L353 C354N258-N351 VanDerWaalsContact ND2-CG 3.34Å; N258-N351 PolarHBondContact ND2-ND2 2.97Å; N258-N351 PolarHBondContact ND2-OD1 3.37Å; S349-N351 PolarHBondContact O-N 3.33Å; S349-N351 VanDerWaalsContact OG-CB 3.28Å; S349-N351 WeakPolarHBondContact OG-CB 3.35Å; S349-N351 PolarHBondContact OG-N 3.18Å; S349-N351 VanDerWaalsContact OG-N 3.09Å; S349-N351 PolarHBondContact OG-ND2 2.98Å; N351-L353 VanDerWaalsContact C-N 3.27Å; N351-L353 PolarHBondContact O-N 3.3Å; N351-C354 PolarHBondContact O-N 3.19Å; N351-C354 PolarHBondContact O-SG 3.02Å
352W86.9Confident82.7Confident9 Ų945.9 Ų45.93%0.03428%0.28CS..G310 helixtrans-69.7-21.4178.473-89.5000113.7L314 V336 L346 E350 C354 K355 I356 I359L314-W352 HydrophobicContact CD1-CB 3.86Å; V336-W352 HydrophobicContact CB-CH2 4.13Å; V336-W352 HydrophobicContact CG1-CH2 3.46Å; V336-W352 VanDerWaalsContact CG1-CH2 3.46Å; V336-W352 HydrophobicContact CG1-CZ2 3.83Å; V336-W352 HydrophobicContact CG2-CH2 3.65Å; V336-W352 HydrophobicContact CG2-CZ3 4.09Å; L346-W352 HydrophobicContact CD1-CD2 4.41Å; L346-W352 HydrophobicContact CD1-CG 4.16Å; L346-W352 HydrophobicContact CD2-CB 3.4Å; L346-W352 HydrophobicContact CD2-CG 3.58Å; L346-W352 HydrophobicContact CG-CG 4.31Å; E350-W352 PolarHBondContact O-N 3.11Å; W352-C354 PolarHBondContact O-N 3.12Å; W352-C354 VanDerWaalsContact O-N 3.14Å; W352-K355 WeakPolarHBondContact O-CB 3.34Å; W352-K355 PolarHBondContact O-N 2.88Å; W352-I356 HydrophobicContact CH2-CD1 4.37Å; W352-I356 HydrophobicContact CZ3-CD1 3.92Å; W352-I359 HydrophobicContact CE3-CD1 4.25Å; W352-I359 HydrophobicContact CZ3-CD1 4.25Å
353L91.4Very high83.1Confident8 Ų843.5 Ų43.54%0.04226%0.263CS..G310 helixtrans-60.7-23.6178.3-73178000111.9M276 Y279 E350 N351 K355 I356M276-L353 HydrophobicContact CG-CB 4.19Å; M276-L353 HydrophobicContact CG-CD1 4.47Å; M276-L353 HydrophobicContact SD-CB 3.95Å; M276-L353 HydrophobicContact SD-CD1 4.26Å; Y279-L353 HydrophobicContact CD1-CD2 3.73Å; Y279-L353 HydrophobicContact CE1-CD2 3.58Å; E350-L353 HydrophobicContact CB-CD1 4Å; E350-L353 HydrophobicContact CG-CD1 4.12Å; E350-L353 VanDerWaalsContact O-CB 3.29Å; E350-L353 WeakPolarHBondContact O-CB 3.3Å; E350-L353 PolarHBondContact O-N 3Å; N351-L353 VanDerWaalsContact C-N 3.27Å; N351-L353 PolarHBondContact O-N 3.3Å; L353-K355 PolarHBondContact O-N 3.31Å; L353-I356 VanDerWaalsContact O-CB 3.24Å; L353-I356 WeakPolarHBondContact O-CB 3.47Å; L353-I356 WeakPolarHBondContact O-CG2 3.37Å; L353-I356 PolarHBondContact O-N 2.82Å
354C93.3Very high83.6Confident5 Ų545.8 Ų45.83%0.03428%0.275CS..G310 helixtrans-62.9-15.9173.2-52.80000112.4L255 R259 E272 N351 W352L255-C354 WeakPolarHBondContact CD1-SG 3.47Å; R259-C354 VanDerWaalsContact CD-SG 3.5Å; E272-C354 HydrophobicContact CB-CB 4.2Å; E272-C354 HydrophobicContact CG-CB 4.5Å; E272-C354 VanDerWaalsContact CG-O 3.24Å; E272-C354 WeakPolarHBondContact CG-O 3.43Å; N351-C354 PolarHBondContact O-N 3.19Å; N351-C354 PolarHBondContact O-SG 3.02Å; W352-C354 PolarHBondContact O-N 3.12Å; W352-C354 VanDerWaalsContact O-N 3.14Å
355K95.3Very high84.7Confident5 Ų546.2 Ų46.22%0.02227%0.267CS..G310 helixtrans-99.12.6176.8-50.4-52.6179.1179.50113R259 E272 D307 E311 L314 W352 L353 G357 K358 I359R259-K355 VanDerWaalsContact NH2-NZ 3.11Å; E272-K355 IonicContact OE1-NZ 3.21Å; E272-K355 PolarHBondContact OE1-NZ 3.16Å; D307-K355 WeakPolarHBondContact OD1-CE 3.25Å; D307-K355 IonicContact OD1-NZ 3.52Å; D307-K355 WeakPolarHBondContact OD2-CE 3.22Å; D307-K355 IonicContact OD2-NZ 3.53Å; D307-K355 PolarHBondContact OD2-NZ 3.5Å; E311-K355 HydrophobicContact CB-CD 4.18Å; E311-K355 HydrophobicContact CB-CG 4.41Å; E311-K355 HydrophobicContact CG-CD 4.1Å; E311-K355 HydrophobicContact CG-CG 4.5Å; E311-K355 VanDerWaalsContact OE2-CD 3.3Å; E311-K355 WeakPolarHBondContact OE2-CD 3.49Å; E311-K355 WeakPolarHBondContact OE2-CE 3.05Å; E311-K355 IonicContact OE2-NZ 2.6Å; E311-K355 PolarHBondContact OE2-NZ 2.82Å; L314-K355 HydrophobicContact CD1-CB 3.99Å; L314-K355 HydrophobicContact CD1-CG 4.01Å; W352-K355 WeakPolarHBondContact O-CB 3.34Å; W352-K355 PolarHBondContact O-N 2.88Å; L353-K355 PolarHBondContact O-N 3.31Å; K355-G357 VanDerWaalsContact C-N 3.29Å; K355-G357 PolarHBondContact O-N 2.84Å; K355-K358 PolarHBondContact O-N 2.83Å; K355-I359 HydrophobicContact CB-CD1 4.49Å; K355-I359 WeakPolarHBondContact O-CG1 3.26Å; K355-I359 PolarHBondContact O-N 3.44Å; K355-I359 VanDerWaalsContact O-N 3.1Å
356I96Very high85.9Confident4 Ų444.1 Ų44.12%0.02125%0.249CC..Hα-helixtrans-61.3-36.2-175.2-164.963.5000112.5D275 Y279 T332 V336 W352 L353 K358 I359 Q360D275-I356 HydrophobicContact CB-CG2 3.94Å; D275-I356 WeakPolarHBondContact O-CG2 3.48Å; Y279-I356 HydrophobicContact CD1-CG1 4.46Å; Y279-I356 HydrophobicContact CD2-CD1 3.79Å; Y279-I356 HydrophobicContact CD2-CG1 3.62Å; Y279-I356 HydrophobicContact CE2-CD1 3.98Å; Y279-I356 HydrophobicContact CE2-CG1 4.31Å; Y279-I356 HydrophobicContact CG-CD1 4.26Å; Y279-I356 HydrophobicContact CG-CG1 3.71Å; T332-I356 HydrophobicContact CG2-CD1 4.3Å; V336-I356 HydrophobicContact CG2-CD1 4.01Å; W352-I356 HydrophobicContact CH2-CD1 4.37Å; W352-I356 HydrophobicContact CZ3-CD1 3.92Å; L353-I356 VanDerWaalsContact O-CB 3.24Å; L353-I356 WeakPolarHBondContact O-CB 3.47Å; L353-I356 WeakPolarHBondContact O-CG2 3.37Å; L353-I356 PolarHBondContact O-N 2.82Å; I356-K358 PolarHBondContact O-N 3.33Å; I356-I359 PolarHBondContact O-N 2.97Å; I356-Q360 VanDerWaalsContact O-CB 3.31Å; I356-Q360 WeakPolarHBondContact O-CB 3.28Å; I356-Q360 PolarHBondContact O-N 3.21Å
357G96.6Very high86.9Confident7 Ų747.1 Ų47.17%0.07226%0.26CS..Hα-helixtrans-58.1-48176.100000112.5K355 I359 Q360 E361K355-G357 VanDerWaalsContact C-N 3.29Å; K355-G357 PolarHBondContact O-N 2.84Å; G357-I359 VanDerWaalsContact C-N 3.35Å; G357-I359 PolarHBondContact O-N 3.42Å; G357-Q360 WeakPolarHBondContact O-CB 3.42Å; G357-Q360 PolarHBondContact O-N 3.43Å; G357-E361 WeakPolarHBondContact O-CG 3.47Å; G357-E361 PolarHBondContact O-N 3.21Å
358K96.7Very high88.4Confident72 Ų7247.8 Ų47.831%0.31325%0.254SS..Hα-helixtrans-66.5-35.2177.4-64.3-179.1175.2178.10112.7E311 L315 K355 I356 L362E311-K358 HydrophobicContact CG-CD 4.31Å; E311-K358 IonicContact OE1-NZ 3.59Å; E311-K358 PolarHBondContact OE1-NZ 2.91Å; E311-K358 IonicContact OE2-NZ 3.35Å; E311-K358 PolarHBondContact OE2-NZ 2.86Å; L315-K358 HydrophobicContact CD2-CB 3.83Å; K355-K358 PolarHBondContact O-N 2.83Å; I356-K358 PolarHBondContact O-N 3.33Å; K358-L362 PolarHBondContact O-N 2.91Å
359I97Very high89.9Confident0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-65.1-43.5173.4-68.1163.3000109.7L314 L315 T318 V335 L339 W352 K355 I356 G357 E361 L362 I363L314-I359 HydrophobicContact CB-CD1 4.43Å; L315-I359 HydrophobicContact CD2-CG1 4.32Å; T318-I359 HydrophobicContact CG2-CG2 4.16Å; V335-I359 HydrophobicContact CG1-CG2 3.89Å; L339-I359 HydrophobicContact CD1-CD1 3.69Å; L339-I359 HydrophobicContact CD1-CG1 4.43Å; L339-I359 HydrophobicContact CD1-CG2 4.47Å; W352-I359 HydrophobicContact CE3-CD1 4.25Å; W352-I359 HydrophobicContact CZ3-CD1 4.25Å; K355-I359 HydrophobicContact CB-CD1 4.49Å; K355-I359 WeakPolarHBondContact O-CG1 3.26Å; K355-I359 PolarHBondContact O-N 3.44Å; K355-I359 VanDerWaalsContact O-N 3.1Å; I356-I359 PolarHBondContact O-N 2.97Å; G357-I359 VanDerWaalsContact C-N 3.35Å; G357-I359 PolarHBondContact O-N 3.42Å; I359-E361 PolarHBondContact O-N 3.08Å; I359-L362 WeakPolarHBondContact O-CB 3.42Å; I359-L362 PolarHBondContact O-N 3.42Å; I359-I363 HydrophobicContact CG2-CD1 3.85Å; I359-I363 WeakPolarHBondContact O-CG1 3.31Å; I359-I363 PolarHBondContact O-N 3.47Å; I359-I363 VanDerWaalsContact O-N 3.11Å
360Q95.9Very high90.8Very high38 Ų3847.3 Ų47.318%0.17824%0.241CC..Hα-helixtrans-62.7-41.3178.6-17157.751.800111.8T332 I356 G357 L362 I363 D364T332-Q360 VanDerWaalsContact CG2-OE1 3.29Å; T332-Q360 PolarHBondContact OG1-OE1 3.1Å; I356-Q360 VanDerWaalsContact O-CB 3.31Å; I356-Q360 WeakPolarHBondContact O-CB 3.28Å; I356-Q360 PolarHBondContact O-N 3.21Å; G357-Q360 WeakPolarHBondContact O-CB 3.42Å; G357-Q360 PolarHBondContact O-N 3.43Å; Q360-L362 VanDerWaalsContact C-N 3.3Å; Q360-L362 PolarHBondContact O-N 2.94Å; Q360-I363 WeakPolarHBondContact O-CB 3.39Å; Q360-I363 PolarHBondContact O-N 3.38Å; Q360-I363 VanDerWaalsContact O-N 3.11Å; Q360-D364 VanDerWaalsContact NE2-CG 3.27Å; Q360-D364 PolarHBondContact NE2-OD1 2.98Å; Q360-D364 PolarHBondContact NE2-OD2 2.84Å; Q360-D364 VanDerWaalsContact NE2-OD2 3.15Å; Q360-D364 PolarHBondContact O-N 2.84Å
361E95.3Very high91.4Very high124 Ų12445 Ų4558%0.57924%0.237SC*.Hα-helixtrans-57.2-40.1174.1-73.7173.1-171.400112.9G357 I359 S365G357-E361 WeakPolarHBondContact O-CG 3.47Å; G357-E361 PolarHBondContact O-N 3.21Å; I359-E361 PolarHBondContact O-N 3.08Å; E361-S365 VanDerWaalsContact O-CB 3.31Å; E361-S365 WeakPolarHBondContact O-CB 3.22Å; E361-S365 PolarHBondContact O-N 3.29Å; E361-S365 PolarHBondContact O-OG 3.46Å
362L96.5Very high91.8Very high41 Ų4145.4 Ų45.422%0.21524%0.239CC..Hα-helixtrans-66.9-41.9175.4-68175.9000111.6L315 T318 K319 L322 K358 I359 Q360 H366L315-L362 HydrophobicContact CB-CD1 4.23Å; L315-L362 HydrophobicContact CD2-CD1 3.73Å; T318-L362 HydrophobicContact CG2-CB 4Å; T318-L362 HydrophobicContact CG2-CD1 3.81Å; K319-L362 HydrophobicContact CG-CD1 4.14Å; K319-L362 HydrophobicContact CG-CD2 4.41Å; L322-L362 HydrophobicContact CD1-CB 3.99Å; K358-L362 PolarHBondContact O-N 2.91Å; I359-L362 WeakPolarHBondContact O-CB 3.42Å; I359-L362 PolarHBondContact O-N 3.42Å; Q360-L362 VanDerWaalsContact C-N 3.3Å; Q360-L362 PolarHBondContact O-N 2.94Å; L362-H366 WeakPolarHBondContact O-CB 3.23Å; L362-H366 PolarHBondContact O-N 3.34Å
363I94.8Very high91.4Very high0 Ų051.3 Ų51.30%026%0.261CS..Hα-helixtrans-63.6-45.1177.8-66.8162.2000110.5L322 T332 V335 I359 Q360 H366 R367L322-I363 HydrophobicContact CD2-CG1 4.39Å; T332-I363 HydrophobicContact CG2-CD1 4.15Å; V335-I363 HydrophobicContact CB-CD1 4.03Å; V335-I363 HydrophobicContact CG1-CD1 4.29Å; V335-I363 HydrophobicContact CG2-CD1 3.9Å; V335-I363 HydrophobicContact CG2-CG1 3.97Å; I359-I363 HydrophobicContact CG2-CD1 3.85Å; I359-I363 WeakPolarHBondContact O-CG1 3.31Å; I359-I363 PolarHBondContact O-N 3.47Å; I359-I363 VanDerWaalsContact O-N 3.11Å; Q360-I363 WeakPolarHBondContact O-CB 3.39Å; Q360-I363 PolarHBondContact O-N 3.38Å; Q360-I363 VanDerWaalsContact O-N 3.11Å; I363-H366 WeakPolarHBondContact O-CB 3.41Å; I363-H366 PolarHBondContact O-N 2.98Å; I363-R367 HydrophobicContact CG2-CG 4.46Å; I363-R367 WeakPolarHBondContact O-CG 3.49Å; I363-R367 PolarHBondContact O-N 3.22Å
364D92.2Very high90.2Very high62 Ų6252.8 Ų52.833%0.33228%0.279SS..Hα-helixtrans-69.6-38.5-178.4-67.7-26.7000111.8Q360 H366 R367 L368Q360-D364 VanDerWaalsContact NE2-CG 3.27Å; Q360-D364 PolarHBondContact NE2-OD1 2.98Å; Q360-D364 PolarHBondContact NE2-OD2 2.84Å; Q360-D364 VanDerWaalsContact NE2-OD2 3.15Å; Q360-D364 PolarHBondContact O-N 2.84Å; D364-H366 VanDerWaalsContact C-N 3.3Å; D364-H366 PolarHBondContact O-N 3.3Å; D364-R367 PolarHBondContact O-N 3.34Å; D364-R367 IonicContact OD1-NH1 3.87Å; D364-R367 PolarHBondContact OD1-NH1 3.41Å; D364-L368 WeakPolarHBondContact O-CB 3.17Å; D364-L368 PolarHBondContact O-N 3.14Å
365S92.2Very high88.9Confident79 Ų7958.1 Ų58.155%0.55231%0.305SS*.Hα-helixtrans-59-42.2170.8-62.80000111.8E361 A369E361-S365 VanDerWaalsContact O-CB 3.31Å; E361-S365 WeakPolarHBondContact O-CB 3.22Å; E361-S365 PolarHBondContact O-N 3.29Å; E361-S365 PolarHBondContact O-OG 3.46Å; S365-A369 PolarHBondContact O-N 3.25Å; S365-A369 VanDerWaalsContact O-N 3.1Å
366H92.3Very high87.3Confident29 Ų2965.5 Ų65.513%0.13434%0.34CS..Hα-helixtrans-65.3-44.4176.2-178.482.2000112.5L322 H325 L362 I363 D364 L368 A369 Y370L322-H366 HydrophobicContact CD1-CB 4.11Å; L322-H366 HydrophobicContact CD2-CB 3.97Å; L322-H366 HydrophobicContact CG-CB 4.44Å; L322-H366 PolarHBondContact O-CE1 3.29Å; H325-H366 PolarHBondContact O-NE2 3.29Å; L362-H366 WeakPolarHBondContact O-CB 3.23Å; L362-H366 PolarHBondContact O-N 3.34Å; I363-H366 WeakPolarHBondContact O-CB 3.41Å; I363-H366 PolarHBondContact O-N 2.98Å; D364-H366 VanDerWaalsContact C-N 3.3Å; D364-H366 PolarHBondContact O-N 3.3Å; H366-L368 VanDerWaalsContact C-N 3.34Å; H366-L368 PolarHBondContact O-N 2.87Å; H366-A369 PolarHBondContact O-N 2.77Å; H366-Y370 WeakPolarHBondContact O-CB 3.5Å; H366-Y370 PolarHBondContact O-N 2.92Å
367R88.8Confident85.5Confident73 Ų7372.3 Ų72.328%0.27538%0.377SS..Hα-helixtrans-62-40.7177.1-74.9170.1173.9171.7-9.7112.2V330 I363 D364 Y370 S371V330-R367 PolarHBondContact O-NE 3.5Å; V330-R367 PolarHBondContact O-NH2 3.16Å; V330-R367 VanDerWaalsContact O-NH2 3.13Å; I363-R367 HydrophobicContact CG2-CG 4.46Å; I363-R367 WeakPolarHBondContact O-CG 3.49Å; I363-R367 PolarHBondContact O-N 3.22Å; D364-R367 PolarHBondContact O-N 3.34Å; D364-R367 IonicContact OD1-NH1 3.87Å; D364-R367 PolarHBondContact OD1-NH1 3.41Å; R367-Y370 PolarHBondContact O-N 3.32Å; R367-S371 WeakPolarHBondContact O-CB 3.49Å; R367-S371 PolarHBondContact O-N 3.48Å; R367-S371 PolarHBondContact O-OG 3.11Å
368L88Confident83.3Confident115 Ų11585.3 Ų85.360%0.60242%0.424SS*.Hα-helixtrans-62.4-45.4175.2-174.565.3000110.9D364 H366 S371 N372D364-L368 WeakPolarHBondContact O-CB 3.17Å; D364-L368 PolarHBondContact O-N 3.14Å; H366-L368 VanDerWaalsContact C-N 3.34Å; H366-L368 PolarHBondContact O-N 2.87Å; L368-S371 PolarHBondContact O-N 3.4Å; L368-N372 VanDerWaalsContact O-CG 3.29Å; L368-N372 PolarHBondContact O-N 3.23Å; L368-N372 VanDerWaalsContact O-N 3.09Å; L368-N372 PolarHBondContact O-ND2 3.03Å
369A87.6Confident82.7Confident45 Ų4586 Ų8637%0.37243%0.429SS..Hα-helixtrans-64.1-41.4176.500000112.8S365 H366 N372 R373S365-A369 PolarHBondContact O-N 3.25Å; S365-A369 VanDerWaalsContact O-N 3.1Å; H366-A369 PolarHBondContact O-N 2.77Å; A369-N372 PolarHBondContact O-N 2.75Å; A369-R373 WeakPolarHBondContact O-CG 3.42Å; A369-R373 PolarHBondContact O-N 3.04Å
370Y84.7Confident81.9Confident90 Ų9090.5 Ų90.535%0.35345%0.452SS..Hα-helixtrans-63-46.2176176.6-101.6000111.9H366 R367 N372 R373 G374H366-Y370 WeakPolarHBondContact O-CB 3.5Å; H366-Y370 PolarHBondContact O-N 2.92Å; R367-Y370 PolarHBondContact O-N 3.32Å; Y370-N372 VanDerWaalsContact C-N 3.32Å; Y370-N372 PolarHBondContact O-N 2.91Å; Y370-R373 WeakPolarHBondContact O-CB 3.22Å; Y370-R373 PolarHBondContact O-N 2.93Å; Y370-R373 VanDerWaalsContact O-N 3.14Å; Y370-G374 PolarHBondContact O-N 3.42Å; Y370-G374 VanDerWaalsContact O-N 3.09Å
371S83.8Confident81.1Confident64 Ų6493.4 Ų93.445%0.44847%0.467SS..Hα-helixtrans-60.1-42.4178-59.40000111.7R367 L368 R373 G374 I375R367-S371 WeakPolarHBondContact O-CB 3.49Å; R367-S371 PolarHBondContact O-N 3.48Å; R367-S371 PolarHBondContact O-OG 3.11Å; L368-S371 PolarHBondContact O-N 3.4Å; S371-R373 VanDerWaalsContact C-N 3.34Å; S371-R373 PolarHBondContact O-N 3.3Å; S371-G374 PolarHBondContact O-N 3.42Å; S371-I375 WeakPolarHBondContact O-CG1 3.34Å; S371-I375 PolarHBondContact O-N 3.33Å
372N82.4Confident80.3Confident83 Ų8391.6 Ų91.644%0.44446%0.46SS..Hα-helixtrans-63.5-35.3176.4-72.8-24.4000113.1L368 A369 Y370 I375 Q376L368-N372 VanDerWaalsContact O-CG 3.29Å; L368-N372 PolarHBondContact O-N 3.23Å; L368-N372 VanDerWaalsContact O-N 3.09Å; L368-N372 PolarHBondContact O-ND2 3.03Å; A369-N372 PolarHBondContact O-N 2.75Å; Y370-N372 VanDerWaalsContact C-N 3.32Å; Y370-N372 PolarHBondContact O-N 2.91Å; N372-I375 PolarHBondContact O-N 3.14Å; N372-Q376 PolarHBondContact O-N 3.34Å
373R78.2Confident79.3Confident133 Ų13394.8 Ų94.850%0.50248%0.476SS..Hα-helixtrans-69-36.5174.5-69.9174.6-174.7177.81.7112.5S326 A369 Y370 S371 I375 Q376 N377S326-R373 PolarHBondContact O-NH1 3.34Å; A369-R373 WeakPolarHBondContact O-CG 3.42Å; A369-R373 PolarHBondContact O-N 3.04Å; Y370-R373 WeakPolarHBondContact O-CB 3.22Å; Y370-R373 PolarHBondContact O-N 2.93Å; Y370-R373 VanDerWaalsContact O-N 3.14Å; S371-R373 VanDerWaalsContact C-N 3.34Å; S371-R373 PolarHBondContact O-N 3.3Å; R373-I375 VanDerWaalsContact C-N 3.27Å; R373-I375 PolarHBondContact O-N 3.29Å; R373-Q376 PolarHBondContact O-N 3.13Å; R373-N377 PolarHBondContact O-N 2.9Å; R373-N377 PolarHBondContact O-ND2 3.06Å
374G67.5Low78.3Confident39 Ų39101.1 Ų101.140%0.40251%0.507SS..Hα-helixtrans-64.7-31.2175.800000113.2Y370 S371Y370-G374 PolarHBondContact O-N 3.42Å; Y370-G374 VanDerWaalsContact O-N 3.09Å; S371-G374 PolarHBondContact O-N 3.42Å
375I66.2Low77.3Confident117 Ų117103.9 Ų103.960%0.652%0.52SS*.Hα-helixtrans-75.9-38.8176.2-63.8165.7000111.4S371 N372 R373 N377 R378S371-I375 WeakPolarHBondContact O-CG1 3.34Å; S371-I375 PolarHBondContact O-N 3.33Å; N372-I375 PolarHBondContact O-N 3.14Å; R373-I375 VanDerWaalsContact C-N 3.27Å; R373-I375 PolarHBondContact O-N 3.29Å; I375-N377 VanDerWaalsContact C-N 3.29Å; I375-N377 PolarHBondContact O-N 3.01Å; I375-R378 PolarHBondContact O-N 3.16Å
376Q61.8Low76.1Confident160 Ų160105.8 Ų105.875%0.74852%0.517SS*.Hα-helixtrans-70.1-21.7179.1-72.8-177.1-10.800114.3N372 R373N372-Q376 PolarHBondContact O-N 3.34Å; R373-Q376 PolarHBondContact O-N 3.13Å
377N57.5Low74.8Confident147 Ų147112.3 Ų112.379%0.78655%0.549SS*.THydrogen-bonded Turntrans-93.84.3179.2-72.3-33.9000113.8R373 I375R373-N377 PolarHBondContact O-N 2.9Å; R373-N377 PolarHBondContact O-ND2 3.06Å; I375-N377 VanDerWaalsContact C-N 3.29Å; I375-N377 PolarHBondContact O-N 3.01Å
378R50.8Low73.5Confident281 Ų281115.8 Ų115.8100%1.0657%0.574SS**  trans-108.50171.6-72.3-176.9-179.9-170.71.9109.5I375I375-R378 PolarHBondContact O-N 3.16Å

Retrieved 378 of 378 residues in 203 ms (Link to these results)

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