A0A077ZM57_TRITR Loading...

Dipeptidyl peptidase family member 6

AlphaFold DB , UniProt , Accession A0A077ZM57, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 460 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
1M88Confident90.2Very high100 Ų10059.1 Ų59.149%0.49329%0.291SS..  0132.60-175.5-148.7-45.200107.1T13 E14 L15 M43 P45M1-T13 HydrophobicContact CG-CG2 4.09Å; M1-T13 HydrophobicContact SD-CG2 4Å; M1-E14 CarbonylContact C-O 3.47Å; M1-E14 VanDerWaalsContact CA-O 3.26Å; M1-E14 WeakPolarHBondContact CA-O 3.43Å; M1-L15 HydrophobicContact CB-CD2 3.88Å; M1-L15 HydrophobicContact CG-CD2 4.05Å; M1-M43 HydrophobicContact CE-CB 4.49Å; M1-P45 HydrophobicContact CB-CG 4.2Å
2Q92.5Very high90.4Very high87 Ų8755.4 Ų55.441%0.40728%0.277SS..BIsolated β-bridgetrans-131.1155.9172.868.7175.514.100110.6T13 E14Q2-T13 CarbonylContact O-C 3.5Å; Q2-T13 WeakPolarHBondContact O-CA 3.45Å; Q2-T13 WeakPolarHBondContact O-CB 3.32Å; Q2-E14 HydrophobicContact CG-CB 3.87Å; Q2-E14 HydrophobicContact CG-CG 4.45Å; Q2-E14 PolarHBondContact N-O 3.03Å; Q2-E14 PolarHBondContact NE2-OE2 3.19Å; Q2-E14 PolarHBondContact O-N 2.97Å
3W91.8Very high90.8Very high84 Ų8451.5 Ų51.532%0.31826%0.258SS..  trans-140.7162169.160.3-83.5000107.5F5 N7 P9 T13 Y342W3-F5 AromaticContact CH2-CE1 3.97Å; W3-F5 HydrophobicContact CH2-CE1 3.97Å; W3-F5 AromaticContact CZ3-CD1 3.92Å; W3-F5 HydrophobicContact CZ3-CD1 3.92Å; W3-F5 AromaticContact CZ3-CE1 3.67Å; W3-F5 HydrophobicContact CZ3-CE1 3.67Å; W3-F5 HydrophobicContact CZ3-CZ 4.49Å; W3-N7 WeakPolarHBondContact CZ3-O 3.42Å; W3-P9 HydrophobicContact CD2-CG 3.87Å; W3-P9 HydrophobicContact CG-CB 4.28Å; W3-P9 HydrophobicContact CG-CG 3.95Å; W3-P9 HydrophobicContact CZ2-CG 4.15Å; W3-T13 HydrophobicContact CB-CG2 3.78Å; W3-Y342 AromaticContact CH2-CD2 3.85Å; W3-Y342 HydrophobicContact CH2-CD2 3.85Å; W3-Y342 AromaticContact CH2-CE2 3.97Å; W3-Y342 HydrophobicContact CH2-CE2 3.97Å; W3-Y342 AromaticContact CZ2-CD2 3.77Å; W3-Y342 HydrophobicContact CZ2-CD2 3.77Å; W3-Y342 AromaticContact CZ2-CE2 3.66Å; W3-Y342 HydrophobicContact CZ2-CE2 3.66Å
4N92.1Very high91.1Very high119 Ų11951.4 Ų51.464%0.63626%0.256SS*.  trans-147.4158.4176.9-158.2-0.5000110.1N7N4-N7 WeakPolarHBondContact O-CB 3.31Å; N4-N7 PolarHBondContact O-N 3.26Å; N4-N7 VanDerWaalsContact O-N 3.07Å
5F91.1Very high91.2Very high56 Ų5648.1 Ų48.125%0.24624%0.24CC..THydrogen-bonded Turntrans-57.4149.9173.4-59-47.1000111.9W3 N7 K341 M344 H345W3-F5 AromaticContact CH2-CE1 3.97Å; W3-F5 HydrophobicContact CH2-CE1 3.97Å; W3-F5 AromaticContact CZ3-CD1 3.92Å; W3-F5 HydrophobicContact CZ3-CD1 3.92Å; W3-F5 AromaticContact CZ3-CE1 3.67Å; W3-F5 HydrophobicContact CZ3-CE1 3.67Å; W3-F5 HydrophobicContact CZ3-CZ 4.49Å; F5-N7 VanDerWaalsContact C-N 3.29Å; F5-K341 WeakPolarHBondContact CE1-O 3.42Å; F5-K341 HydrophobicContact CE2-CG 4.36Å; F5-K341 HydrophobicContact CZ-CG 4.07Å; F5-K341 WeakPolarHBondContact CZ-O 3.29Å; F5-M344 HydrophobicContact CD1-CG 4.26Å; F5-M344 HydrophobicContact CD2-CG 4.37Å; F5-M344 HydrophobicContact CD2-SD 3.81Å; F5-M344 HydrophobicContact CE1-CG 3.82Å; F5-M344 HydrophobicContact CE1-SD 4.22Å; F5-M344 HydrophobicContact CE2-CG 3.95Å; F5-M344 HydrophobicContact CE2-SD 3.22Å; F5-M344 WeakPolarHBondContact CE2-SD 3.44Å; F5-M344 HydrophobicContact CZ-CG 3.69Å; F5-M344 HydrophobicContact CZ-SD 3.5Å; F5-M344 VanDerWaalsContact CZ-SD 3.5Å; F5-H345 VanDerWaalsContact CB-CD2 3.47Å; F5-H345 WeakPolarHBondContact CB-CD2 3.42Å; F5-H345 HydrophobicContact CD1-CB 4.36Å; F5-H345 AromaticContact CD1-CD2 3.72Å; F5-H345 AromaticContact CD2-CD2 3.82Å; F5-H345 AromaticContact CG-CD2 3.39Å; F5-H345 WeakPolarHBondContact CG-CD2 3.43Å
6P89.2Confident91.2Very high61 Ų6151.4 Ų51.440%0.39625%0.248SC..THydrogen-bonded Turncis-82.95.41.235-36.9000114.1H345 N349P6-H345 HydrophobicContact CB-CB 4Å; P6-N349 PolarHBondContact O-ND2 3.42Å
7N90.8Very high91.2Very high58 Ų5849.9 Ų49.931%0.3124%0.242SC..  trans-79.2142.1-175.2-58.7-68.1000111.3W3 N4 F5 D11 A12W3-N7 WeakPolarHBondContact CZ3-O 3.42Å; N4-N7 WeakPolarHBondContact O-CB 3.31Å; N4-N7 PolarHBondContact O-N 3.26Å; N4-N7 VanDerWaalsContact O-N 3.07Å; F5-N7 VanDerWaalsContact C-N 3.29Å; N7-D11 HydrophobicContact CB-CB 4.06Å; N7-A12 HydrophobicContact CB-CB 3.99Å
8M89.2Confident91.1Very high1 Ų149.1 Ų49.11%0.00524%0.244CC..  trans-81164162.5-59.9-57.8-71.800110.3W10 D11 A12 Y342 Y346M8-W10 HydrophobicContact CB-CD2 3.87Å; M8-W10 HydrophobicContact CB-CG 4.23Å; M8-W10 HydrophobicContact CB-CH2 4.3Å; M8-W10 HydrophobicContact CB-CZ2 3.61Å; M8-W10 HydrophobicContact CE-CH2 3.54Å; M8-W10 HydrophobicContact CE-CZ2 3.59Å; M8-W10 HydrophobicContact CE-CZ3 4.44Å; M8-W10 HydrophobicContact CG-CZ2 3.71Å; M8-W10 PolarHBondContact O-N 3.02Å; M8-W10 VanDerWaalsContact O-N 3.13Å; M8-D11 WeakPolarHBondContact CB-OD2 3.18Å; M8-D11 PolarHBondContact N-OD2 3.47Å; M8-D11 WeakPolarHBondContact O-CB 3.42Å; M8-D11 PolarHBondContact O-N 3.31Å; M8-A12 PolarHBondContact O-N 2.84Å; M8-Y342 HydrophobicContact CE-CD1 4.08Å; M8-Y342 HydrophobicContact CE-CE1 3.56Å; M8-Y342 HydrophobicContact CE-CE2 4.25Å; M8-Y346 HydrophobicContact CG-CD2 3.63Å; M8-Y346 HydrophobicContact CG-CE2 4.07Å; M8-Y346 HydrophobicContact CG-CG 4.31Å; M8-Y346 HydrophobicContact SD-CD2 4.2Å; M8-Y346 HydrophobicContact SD-CG 4.29Å
9P89.4Confident90.9Very high21 Ų2153.3 Ų53.314%0.13627%0.268CS..THydrogen-bonded Turntrans-56.1-31.5179.4-23.530.6000114.2W3 T13 S41 Y342W3-P9 HydrophobicContact CD2-CG 3.87Å; W3-P9 HydrophobicContact CG-CB 4.28Å; W3-P9 HydrophobicContact CG-CG 3.95Å; W3-P9 HydrophobicContact CZ2-CG 4.15Å; P9-T13 HydrophobicContact CB-CG2 4.41Å; P9-T13 WeakPolarHBondContact O-CG2 3.37Å; P9-S41 PolarHBondContact O-OG 3.34Å; P9-Y342 HydrophobicContact CG-CE2 4.43Å
10W87.7Confident90.7Very high56 Ų5657 Ų5721%0.21229%0.288CS..THydrogen-bonded Turntrans-81.3-11.5176.148.876.8000113.5M8 S41 W63 T228 R265 Y342 Y346M8-W10 HydrophobicContact CB-CD2 3.87Å; M8-W10 HydrophobicContact CB-CG 4.23Å; M8-W10 HydrophobicContact CB-CH2 4.3Å; M8-W10 HydrophobicContact CB-CZ2 3.61Å; M8-W10 HydrophobicContact CE-CH2 3.54Å; M8-W10 HydrophobicContact CE-CZ2 3.59Å; M8-W10 HydrophobicContact CE-CZ3 4.44Å; M8-W10 HydrophobicContact CG-CZ2 3.71Å; M8-W10 PolarHBondContact O-N 3.02Å; M8-W10 VanDerWaalsContact O-N 3.13Å; W10-S41 WeakPolarHBondContact CA-OG 3.44Å; W10-S41 WeakPolarHBondContact O-CB 3.46Å; W10-W63 HydrophobicContact CB-CH2 4.31Å; W10-W63 HydrophobicContact CB-CZ2 3.83Å; W10-T228 PolarHBondContact NE1-OG1 3.26Å; W10-R265 PolarHBondContact O-NH2 3Å; W10-Y342 HydrophobicContact CH2-CE1 4.35Å; W10-Y342 WeakPolarHBondContact CH2-OH 3.44Å; W10-Y342 VanDerWaalsContact CZ3-OH 3.22Å; W10-Y342 WeakPolarHBondContact CZ3-OH 3.33Å; W10-Y346 AromaticContact CZ2-CE2 3.95Å; W10-Y346 HydrophobicContact CZ2-CE2 3.95Å; W10-Y346 AromaticContact CZ2-CZ 3.95Å
11D90.5Very high90.5Very high7 Ų756.4 Ų56.44%0.03729%0.291CS..THydrogen-bonded Turntrans-89.7-51.6177.3-62.8-39.6000111.6N7 M8 R262 R265N7-D11 HydrophobicContact CB-CB 4.06Å; M8-D11 WeakPolarHBondContact CB-OD2 3.18Å; M8-D11 PolarHBondContact N-OD2 3.47Å; M8-D11 WeakPolarHBondContact O-CB 3.42Å; M8-D11 PolarHBondContact O-N 3.31Å; D11-R262 VanDerWaalsContact O-CZ 3.29Å; D11-R262 PolarHBondContact O-NH1 3.04Å; D11-R262 PolarHBondContact O-NH2 2.66Å; D11-R265 IonicContact OD1-CZ 3.91Å; D11-R265 IonicContact OD1-NH1 3.07Å; D11-R265 PolarHBondContact OD1-NH1 3.09Å; D11-R265 IonicContact OD1-NH2 3.54Å
12A93Very high90.5Very high15 Ų1561.8 Ų61.812%0.12432%0.315CS..  trans-157.1133178.300000111.7N7 M8 T40N7-A12 HydrophobicContact CB-CB 3.99Å; M8-A12 PolarHBondContact O-N 2.84Å; A12-T40 VanDerWaalsContact CA-O 3.32Å; A12-T40 WeakPolarHBondContact CA-O 3.48Å
13T94.7Very high90.4Very high5 Ų563.7 Ų63.73%0.03133%0.328CS..  trans-135.4168.1173.855.30000110.3M1 Q2 W3 P9 T40 Y42M1-T13 HydrophobicContact CG-CG2 4.09Å; M1-T13 HydrophobicContact SD-CG2 4Å; Q2-T13 CarbonylContact O-C 3.5Å; Q2-T13 WeakPolarHBondContact O-CA 3.45Å; Q2-T13 WeakPolarHBondContact O-CB 3.32Å; W3-T13 HydrophobicContact CB-CG2 3.78Å; P9-T13 HydrophobicContact CB-CG2 4.41Å; P9-T13 WeakPolarHBondContact O-CG2 3.37Å; T13-T40 PolarHBondContact N-O 2.98Å; T13-Y42 VanDerWaalsContact O-CD2 3.27Å; T13-Y42 WeakPolarHBondContact O-CD2 3.15Å; T13-Y42 VanDerWaalsContact OG1-CA 3.31Å; T13-Y42 WeakPolarHBondContact OG1-CA 3.22Å; T13-Y42 PolarHBondContact OG1-N 3.48Å; T13-Y42 PolarHBondContact OG1-O 2.81Å
14E94.7Very high90.2Very high50 Ų5062 Ų6223%0.23434%0.337CS..BIsolated β-bridgetrans-123.2144.1169.9-53.1-177.8156.200109.8M1 Q2 W16 K33 L35M1-E14 CarbonylContact C-O 3.47Å; M1-E14 VanDerWaalsContact CA-O 3.26Å; M1-E14 WeakPolarHBondContact CA-O 3.43Å; Q2-E14 HydrophobicContact CG-CB 3.87Å; Q2-E14 HydrophobicContact CG-CG 4.45Å; Q2-E14 PolarHBondContact N-O 3.03Å; Q2-E14 PolarHBondContact NE2-OE2 3.19Å; Q2-E14 PolarHBondContact O-N 2.97Å; E14-W16 PolarHBondContact OE2-NE1 2.85Å; E14-K33 IonicContact OE1-NZ 2.73Å; E14-K33 PolarHBondContact OE1-NZ 2.6Å; E14-K33 WeakPolarHBondContact OE2-CE 3.36Å; E14-K33 IonicContact OE2-NZ 2.86Å; E14-K33 PolarHBondContact OE2-NZ 3.26Å; E14-L35 WeakPolarHBondContact CA-O 3.14Å
15L93Very high90Very high2 Ų258.8 Ų58.81%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-97.8134.1169.9-64.2-178.2000110.5M1 I34 L35 Y42 P45 F55M1-L15 HydrophobicContact CB-CD2 3.88Å; M1-L15 HydrophobicContact CG-CD2 4.05Å; L15-I34 HydrophobicContact CB-CD1 3.95Å; L15-I34 HydrophobicContact CB-CG1 3.68Å; L15-I34 VanDerWaalsContact O-CG1 3.31Å; L15-I34 WeakPolarHBondContact O-CG1 2.99Å; L15-I34 PolarHBondContact O-N 3.32Å; L15-L35 HydrophobicContact CB-CB 4.18Å; L15-L35 HydrophobicContact CD1-CD1 3.89Å; L15-L35 PolarHBondContact N-O 2.91Å; L15-L35 PolarHBondContact O-N 3.36Å; L15-Y42 HydrophobicContact CD1-CD1 4.28Å; L15-Y42 HydrophobicContact CD1-CG 4.02Å; L15-Y42 VanDerWaalsContact CG-CB 3.49Å; L15-Y42 HydrophobicContact CG-CD2 4.24Å; L15-Y42 HydrophobicContact CG-CG 3.87Å; L15-P45 HydrophobicContact CD2-CB 3.99Å; L15-P45 HydrophobicContact CD2-CG 3.86Å; L15-F55 HydrophobicContact CD1-CB 3.78Å; L15-F55 HydrophobicContact CD1-CD1 4.08Å; L15-F55 HydrophobicContact CD1-CD2 3.78Å; L15-F55 HydrophobicContact CD1-CE2 4.41Å; L15-F55 HydrophobicContact CD1-CG 3.6Å
16W92.2Very high89.6Confident100 Ų10059.7 Ų59.738%0.37933%0.334SS..EExtended strand (participates in β ladder)trans-126.6144.3178.3-71.469.3000108.6E14 A31 R32 K33E14-W16 PolarHBondContact OE2-NE1 2.85Å; W16-A31 HydrophobicContact CE3-CB 4.08Å; W16-A31 WeakPolarHBondContact CZ3-O 3.45Å; W16-R32 CarbonylContact C-O 3.55Å; W16-R32 VanDerWaalsContact CA-O 3.28Å; W16-R32 WeakPolarHBondContact CA-O 2.94Å; W16-K33 HydrophobicContact CD2-CB 3.96Å; W16-K33 HydrophobicContact CD2-CG 4.43Å; W16-K33 HydrophobicContact CE3-CB 4.2Å; W16-K33 HydrophobicContact CH2-CB 4.15Å; W16-K33 HydrophobicContact CZ2-CB 3.89Å; W16-K33 HydrophobicContact CZ2-CD 4.33Å; W16-K33 HydrophobicContact CZ2-CG 4.22Å; W16-K33 HydrophobicContact CZ3-CB 4.28Å
17M90.7Very high89Confident27 Ų2761.5 Ų61.513%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-129.9133.8-178.5-176.3-175-63.900109A31 R32 I34 F47 L53 Y68M17-A31 CarbonylContact O-C 3.57Å; M17-A31 WeakPolarHBondContact O-CA 3.46Å; M17-R32 HydrophobicContact CB-CG 4.36Å; M17-R32 PolarHBondContact N-O 3.05Å; M17-R32 WeakPolarHBondContact O-CG 3.22Å; M17-R32 PolarHBondContact O-N 3.19Å; M17-R32 PolarHBondContact SD-NH2 2.8Å; M17-I34 HydrophobicContact CB-CD1 4.28Å; M17-I34 HydrophobicContact CB-CG2 3.74Å; M17-I34 HydrophobicContact CE-CD1 3.76Å; M17-I34 HydrophobicContact CE-CG2 4.27Å; M17-F47 HydrophobicContact CE-CE1 4.27Å; M17-F47 HydrophobicContact CE-CZ 4.12Å; M17-F47 HydrophobicContact CG-CZ 4.15Å; M17-F47 HydrophobicContact SD-CZ 4.37Å; M17-L53 HydrophobicContact CE-CD2 3.66Å; M17-Y68 HydrophobicContact CE-CD1 3.94Å; M17-Y68 HydrophobicContact CE-CE1 3.87Å
18A89.9Confident87.9Confident35 Ų3564.8 Ų64.829%0.28937%0.372SS..  trans-135.6149.4174.200000109.2T26 A31A18-T26 HydrophobicContact CB-CG2 3.77Å; A18-A31 HydrophobicContact CB-CB 4.02Å
19N87.6Confident86.9Confident129 Ų12968.4 Ų68.469%0.6941%0.41SS*.PPolyproline II helixtrans-81.6136.9167.6-64.7-29.2000108.9
20L86.6Confident86.4Confident127 Ų12769.2 Ų69.267%0.66542%0.418SS*.BIsolated β-bridgetrans-92.6133.6171-61.2175.8000108.8S25 T26L20-S25 WeakPolarHBondContact CA-O 3.33Å; L20-T26 HydrophobicContact CD2-CG2 3.74Å
21A86.4Confident86.4Confident44 Ų4468.8 Ų68.836%0.36443%0.426SS..PPolyproline II helixtrans-72.6169.2165.800000110.4D23 G24 S25A21-D23 WeakPolarHBondContact CB-OD1 3.36Å; A21-D23 PolarHBondContact O-N 3.42Å; A21-D23 VanDerWaalsContact O-N 3.17Å; A21-G24 WeakPolarHBondContact O-CA 3.26Å; A21-G24 PolarHBondContact O-N 3.4Å; A21-S25 PolarHBondContact N-O 3.36Å
22E88.2Confident86.4Confident213 Ų21375.4 Ų75.4100%0.99545%0.451SS*.THydrogen-bonded Turntrans-59-27.6-179.5-68.3-175.2171.600113.3G24E22-G24 VanDerWaalsContact C-N 3.25Å; E22-G24 PolarHBondContact O-N 3.4Å
23D90.8Very high86.3Confident127 Ų12779.1 Ų79.168%0.67946%0.464SS*.THydrogen-bonded Turntrans-83.13.2175.669.6-8.9000113.7A21 S25A21-D23 WeakPolarHBondContact CB-OD1 3.36Å; A21-D23 PolarHBondContact O-N 3.42Å; A21-D23 VanDerWaalsContact O-N 3.17Å; D23-S25 VanDerWaalsContact C-N 3.25Å; D23-S25 PolarHBondContact O-N 3.19Å; D23-S25 WeakPolarHBondContact OD1-CB 3.3Å; D23-S25 PolarHBondContact OD1-N 3.16Å; D23-S25 PolarHBondContact OD1-OG 3.04Å; D23-S25 PolarHBondContact OD2-OG 2.82Å
24G87.1Confident86.2Confident49 Ų4980 Ų8051%0.50547%0.469SS..SBendtrans78.51.6-176.400000114.4A21 E22A21-G24 WeakPolarHBondContact O-CA 3.26Å; A21-G24 PolarHBondContact O-N 3.4Å; E22-G24 VanDerWaalsContact C-N 3.25Å; E22-G24 PolarHBondContact O-N 3.4Å
25S87.4Confident86Confident52 Ų5278.8 Ų78.836%0.36446%0.463SS..PPolyproline II helixtrans-74.5150.217571.70000111.5L20 A21 D23L20-S25 WeakPolarHBondContact CA-O 3.33Å; A21-S25 PolarHBondContact N-O 3.36Å; D23-S25 VanDerWaalsContact C-N 3.25Å; D23-S25 PolarHBondContact O-N 3.19Å; D23-S25 WeakPolarHBondContact OD1-CB 3.3Å; D23-S25 PolarHBondContact OD1-N 3.16Å; D23-S25 PolarHBondContact OD1-OG 3.04Å; D23-S25 PolarHBondContact OD2-OG 2.82Å
26T83.2Confident85.9Confident75 Ų7581.5 Ų81.546%0.4648%0.482SS..BIsolated β-bridgetrans-94.1136162.356.10000108.5A18 L20 S28A18-T26 HydrophobicContact CB-CG2 3.77Å; L20-T26 HydrophobicContact CD2-CG2 3.74Å; T26-S28 PolarHBondContact O-N 2.85Å
27T75.9Confident85.8Confident98 Ų9879.5 Ų79.560%0.60148%0.482SS*.PPolyproline II helixtrans-60.2132.3168.5-29.10000108.7G29 A30T27-G29 PolarHBondContact O-N 2.75Å; T27-A30 WeakPolarHBondContact O-CB 3.34Å; T27-A30 PolarHBondContact O-N 3.01Å
28S67Low85.7Confident127 Ų12782.9 Ų82.989%0.88851%0.513SS*.THydrogen-bonded Turntrans-54.7127.5179.2-1710000110.3T26 A30T26-S28 PolarHBondContact O-N 2.85Å; S28-A30 VanDerWaalsContact C-N 3.34Å
29G70Confident85.6Confident78 Ų7883 Ų8380%0.80452%0.518SS*.THydrogen-bonded Turntrans80.90.5-175.100000116.1T27 A31T27-G29 PolarHBondContact O-N 2.75Å; G29-A31 VanDerWaalsContact C-N 3.32Å; G29-A31 PolarHBondContact O-N 3.26Å
30A78.4Confident85.8Confident38 Ų3877.1 Ų77.131%0.31449%0.487SS..  trans-78.3-13.5178.600000114.3T27 S28 R32T27-A30 WeakPolarHBondContact O-CB 3.34Å; T27-A30 PolarHBondContact O-N 3.01Å; S28-A30 VanDerWaalsContact C-N 3.34Å; A30-R32 PolarHBondContact O-N 3.43Å
31A88Confident86Confident47 Ų4771 Ų7139%0.38846%0.455SS..  trans-73.1116.4174.700000109.7W16 M17 A18 G29W16-A31 HydrophobicContact CE3-CB 4.08Å; W16-A31 WeakPolarHBondContact CZ3-O 3.45Å; M17-A31 CarbonylContact O-C 3.57Å; M17-A31 WeakPolarHBondContact O-CA 3.46Å; A18-A31 HydrophobicContact CB-CB 4.02Å; G29-A31 VanDerWaalsContact C-N 3.32Å; G29-A31 PolarHBondContact O-N 3.26Å
32R89.6Confident86.1Confident145 Ų14569 Ų6955%0.54744%0.438SS..EExtended strand (participates in β ladder)trans-105.3136.4174.261.4177.3-177171.51.6110.5W16 M17 A30 I34W16-R32 CarbonylContact C-O 3.55Å; W16-R32 VanDerWaalsContact CA-O 3.28Å; W16-R32 WeakPolarHBondContact CA-O 2.94Å; M17-R32 HydrophobicContact CB-CG 4.36Å; M17-R32 PolarHBondContact N-O 3.05Å; M17-R32 WeakPolarHBondContact O-CG 3.22Å; M17-R32 PolarHBondContact O-N 3.19Å; M17-R32 PolarHBondContact SD-NH2 2.8Å; A30-R32 PolarHBondContact O-N 3.43Å; R32-I34 HydrophobicContact CG-CG2 3.99Å; R32-I34 PolarHBondContact O-N 2.9Å
33K91.4Very high85.9Confident94 Ų9459.9 Ų59.941%0.40940%0.396SS..EExtended strand (participates in β ladder)trans-68.7126166.4-168.1-177-58.6-160.20108.3E14 W16 S36E14-K33 IonicContact OE1-NZ 2.73Å; E14-K33 PolarHBondContact OE1-NZ 2.6Å; E14-K33 WeakPolarHBondContact OE2-CE 3.36Å; E14-K33 IonicContact OE2-NZ 2.86Å; E14-K33 PolarHBondContact OE2-NZ 3.26Å; W16-K33 HydrophobicContact CD2-CB 3.96Å; W16-K33 HydrophobicContact CD2-CG 4.43Å; W16-K33 HydrophobicContact CE3-CB 4.2Å; W16-K33 HydrophobicContact CH2-CB 4.15Å; W16-K33 HydrophobicContact CZ2-CB 3.89Å; W16-K33 HydrophobicContact CZ2-CD 4.33Å; W16-K33 HydrophobicContact CZ2-CG 4.22Å; W16-K33 HydrophobicContact CZ3-CB 4.28Å; K33-S36 WeakPolarHBondContact CD-OG 3.33Å
34I91.4Very high85.6Confident24 Ų2455.8 Ų55.812%0.12337%0.373CS..EExtended strand (participates in β ladder)trans-110.1-29.2-177.360167.8000112.9L15 M17 R32 L53 Y68L15-I34 HydrophobicContact CB-CD1 3.95Å; L15-I34 HydrophobicContact CB-CG1 3.68Å; L15-I34 VanDerWaalsContact O-CG1 3.31Å; L15-I34 WeakPolarHBondContact O-CG1 2.99Å; L15-I34 PolarHBondContact O-N 3.32Å; M17-I34 HydrophobicContact CB-CD1 4.28Å; M17-I34 HydrophobicContact CB-CG2 3.74Å; M17-I34 HydrophobicContact CE-CD1 3.76Å; M17-I34 HydrophobicContact CE-CG2 4.27Å; R32-I34 HydrophobicContact CG-CG2 3.99Å; R32-I34 PolarHBondContact O-N 2.9Å; I34-L53 HydrophobicContact CD1-CD2 3.39Å; I34-Y68 HydrophobicContact CB-CE2 3.89Å; I34-Y68 HydrophobicContact CD1-CD2 4.25Å; I34-Y68 HydrophobicContact CD1-CE2 4.19Å; I34-Y68 HydrophobicContact CD1-CG 4.49Å; I34-Y68 HydrophobicContact CG1-CE2 4.42Å
35L91.3Very high85.6Confident23 Ų2355.9 Ų55.912%0.1236%0.364CS..EExtended strand (participates in β ladder)trans-147.4133.3179.2-67.2169.8000109.5E14 L15 Y42 F55 Y68 L73E14-L35 WeakPolarHBondContact CA-O 3.14Å; L15-L35 HydrophobicContact CB-CB 4.18Å; L15-L35 HydrophobicContact CD1-CD1 3.89Å; L15-L35 PolarHBondContact N-O 2.91Å; L15-L35 PolarHBondContact O-N 3.36Å; L35-Y42 HydrophobicContact CB-CD1 4.48Å; L35-Y42 HydrophobicContact CB-CD2 4.35Å; L35-Y42 HydrophobicContact CB-CE1 4.03Å; L35-Y42 HydrophobicContact CB-CE2 3.88Å; L35-Y42 HydrophobicContact CD1-CD1 4.32Å; L35-Y42 HydrophobicContact CD1-CE1 4.11Å; L35-F55 HydrophobicContact CD1-CD1 4.33Å; L35-F55 HydrophobicContact CD1-CD2 4.3Å; L35-F55 HydrophobicContact CD1-CE1 3.63Å; L35-F55 HydrophobicContact CD1-CE2 3.58Å; L35-F55 HydrophobicContact CD1-CZ 3.2Å; L35-Y68 HydrophobicContact CD1-CD2 4.16Å; L35-Y68 HydrophobicContact CG-CD2 4.36Å; L35-Y68 HydrophobicContact CG-CE2 4.32Å; L35-L73 HydrophobicContact CD2-CD1 4.46Å
36S90.1Very high85.4Confident59 Ų5956 Ų5641%0.41336%0.358SS..  trans-163.542-176.463.70000112.3K33 A38K33-S36 WeakPolarHBondContact CD-OG 3.33Å; S36-A38 PolarHBondContact O-N 3.36Å
37T90.5Very high85.5Confident59 Ų5957.4 Ų57.436%0.36236%0.358SS..  trans-59.2128.4171.3-57.70000108.4G39 T40 Y42T37-G39 PolarHBondContact O-N 3.47Å; T37-T40 WeakPolarHBondContact CB-OG1 3.25Å; T37-T40 WeakPolarHBondContact CG2-OG1 3.43Å; T37-T40 WeakPolarHBondContact O-CB 3.31Å; T37-T40 PolarHBondContact O-N 2.95Å; T37-Y42 WeakPolarHBondContact CB-OH 3.48Å; T37-Y42 PolarHBondContact N-OH 3.11Å; T37-Y42 VanDerWaalsContact N-OH 3.13Å; T37-Y42 PolarHBondContact OG1-OH 3.38Å; T37-Y42 VanDerWaalsContact OG1-OH 3.06Å
38A88.2Confident85.7Confident97 Ų9753.2 Ų53.280%0.80233%0.333SS*.THydrogen-bonded Turntrans-63.2134-177.700000110.1S36 T40S36-A38 PolarHBondContact O-N 3.36Å; A38-T40 VanDerWaalsContact C-N 3.28Å; A38-T40 PolarHBondContact O-N 3.36Å
39G88.9Confident86.2Confident37 Ų3754.4 Ų54.438%0.38132%0.324SS..THydrogen-bonded Turntrans68.326.5-177.400000113.6T37 R262T37-G39 PolarHBondContact O-N 3.47Å; G39-R262 PolarHBondContact O-NE 3.49Å; G39-R262 PolarHBondContact O-NH1 3.22Å; G39-R262 PolarHBondContact O-NH2 3.08Å
40T92.1Very high86.7Confident6 Ų656.1 Ų56.14%0.03732%0.315CS..  trans-114.7133.2172.8-56.50000110.3A12 T13 T37 A38 Y42 S57 E59A12-T40 VanDerWaalsContact CA-O 3.32Å; A12-T40 WeakPolarHBondContact CA-O 3.48Å; T13-T40 PolarHBondContact N-O 2.98Å; T37-T40 WeakPolarHBondContact CB-OG1 3.25Å; T37-T40 WeakPolarHBondContact CG2-OG1 3.43Å; T37-T40 WeakPolarHBondContact O-CB 3.31Å; T37-T40 PolarHBondContact O-N 2.95Å; A38-T40 VanDerWaalsContact C-N 3.28Å; A38-T40 PolarHBondContact O-N 3.36Å; T40-Y42 HydrophobicContact CG2-CD1 4.14Å; T40-Y42 HydrophobicContact CG2-CE1 3.61Å; T40-Y42 HydrophobicContact CG2-CE2 4.05Å; T40-S57 WeakPolarHBondContact CG2-OG 3.47Å; T40-E59 HydrophobicContact CG2-CB 3.96Å
41S89.8Confident87Confident0 Ų056.5 Ų56.50%032%0.323CS..  trans-99.4104.2173.7-179.40000110P9 W10 S57 D58P9-S41 PolarHBondContact O-OG 3.34Å; W10-S41 WeakPolarHBondContact CA-OG 3.44Å; W10-S41 WeakPolarHBondContact O-CB 3.46Å; S41-S57 WeakPolarHBondContact O-CA 3.34Å; S41-D58 PolarHBondContact N-OD1 3.2Å; S41-D58 PolarHBondContact O-N 2.99Å
42Y89.6Confident86.8Confident0 Ų057.7 Ų57.70%032%0.32CS..EExtended strand (participates in β ladder)trans-86.6133.6164.5-48.9-73.5000111.6T13 L15 L35 T37 T40 F55 I56T13-Y42 VanDerWaalsContact O-CD2 3.27Å; T13-Y42 WeakPolarHBondContact O-CD2 3.15Å; T13-Y42 VanDerWaalsContact OG1-CA 3.31Å; T13-Y42 WeakPolarHBondContact OG1-CA 3.22Å; T13-Y42 PolarHBondContact OG1-N 3.48Å; T13-Y42 PolarHBondContact OG1-O 2.81Å; L15-Y42 HydrophobicContact CD1-CD1 4.28Å; L15-Y42 HydrophobicContact CD1-CG 4.02Å; L15-Y42 VanDerWaalsContact CG-CB 3.49Å; L15-Y42 HydrophobicContact CG-CD2 4.24Å; L15-Y42 HydrophobicContact CG-CG 3.87Å; L35-Y42 HydrophobicContact CB-CD1 4.48Å; L35-Y42 HydrophobicContact CB-CD2 4.35Å; L35-Y42 HydrophobicContact CB-CE1 4.03Å; L35-Y42 HydrophobicContact CB-CE2 3.88Å; L35-Y42 HydrophobicContact CD1-CD1 4.32Å; L35-Y42 HydrophobicContact CD1-CE1 4.11Å; T37-Y42 WeakPolarHBondContact CB-OH 3.48Å; T37-Y42 PolarHBondContact N-OH 3.11Å; T37-Y42 VanDerWaalsContact N-OH 3.13Å; T37-Y42 PolarHBondContact OG1-OH 3.38Å; T37-Y42 VanDerWaalsContact OG1-OH 3.06Å; T40-Y42 HydrophobicContact CG2-CD1 4.14Å; T40-Y42 HydrophobicContact CG2-CE1 3.61Å; T40-Y42 HydrophobicContact CG2-CE2 4.05Å; Y42-F55 AromaticContact CD1-CD2 3.83Å; Y42-F55 HydrophobicContact CD1-CD2 3.83Å; Y42-F55 AromaticContact CD1-CE2 3.69Å; Y42-F55 HydrophobicContact CD1-CE2 3.69Å; Y42-F55 HydrophobicContact CE1-CE2 4.07Å; Y42-I56 CarbonylContact C-O 3.55Å; Y42-I56 WeakPolarHBondContact CA-O 3.24Å
43M83.9Confident86.6Confident22 Ų2251.2 Ų51.211%0.10830%0.296CS..EExtended strand (participates in β ladder)trans-136.4159.7-177.6-57.4-169.9-59.100112.4M1 P45 I56 W63M1-M43 HydrophobicContact CE-CB 4.49Å; M43-P45 VanDerWaalsContact C-CD 3.48Å; M43-I56 HydrophobicContact CB-CB 4.21Å; M43-I56 HydrophobicContact CE-CG2 4.01Å; M43-I56 PolarHBondContact N-O 2.95Å; M43-I56 PolarHBondContact O-N 3.27Å; M43-W63 HydrophobicContact CE-CB 4.5Å; M43-W63 HydrophobicContact CE-CD2 3.52Å; M43-W63 HydrophobicContact CE-CE3 4.26Å; M43-W63 HydrophobicContact CE-CG 3.59Å; M43-W63 HydrophobicContact CE-CZ2 3.95Å; M43-W63 HydrophobicContact SD-CZ2 4.28Å
44Q82.7Confident86.2Confident42 Ų4247.5 Ų47.520%0.19628%0.28CS..EExtended strand (participates in β ladder)trans44.950.4171.9-53-169.511.500115.8K46 I56 G87 G88 V89Q44-K46 PolarHBondContact O-N 3.24Å; Q44-I56 HydrophobicContact CB-CD1 4.37Å; Q44-I56 HydrophobicContact CG-CD1 4.4Å; Q44-G87 PolarHBondContact NE2-O 3.1Å; Q44-G87 PolarHBondContact OE1-O 3.46Å; Q44-G88 VanDerWaalsContact OE1-CA 3.23Å; Q44-V89 HydrophobicContact CB-CB 4.41Å; Q44-V89 HydrophobicContact CB-CG2 3.8Å
45P87.9Confident85.9Confident50 Ų5046.4 Ų46.433%0.32527%0.274SS..EExtended strand (participates in β ladder)trans-61.7132176.628.9-36.2000110.7M1 L15 M43 L53 Y54 F55M1-P45 HydrophobicContact CB-CG 4.2Å; L15-P45 HydrophobicContact CD2-CB 3.99Å; L15-P45 HydrophobicContact CD2-CG 3.86Å; M43-P45 VanDerWaalsContact C-CD 3.48Å; P45-L53 HydrophobicContact CB-CD1 4Å; P45-Y54 CarbonylContact C-O 3.54Å; P45-Y54 VanDerWaalsContact CA-O 3.32Å; P45-Y54 WeakPolarHBondContact CA-O 3.42Å; P45-F55 HydrophobicContact CB-CB 4.4Å
46K84.2Confident85.5Confident55 Ų5545.9 Ų45.924%0.23927%0.272CS..EExtended strand (participates in β ladder)trans-147.4132180-159.5167.2-163.31750112Q44 Y54 V89 H90 L91Q44-K46 PolarHBondContact O-N 3.24Å; K46-Y54 PolarHBondContact N-O 2.9Å; K46-Y54 PolarHBondContact O-N 3.24Å; K46-V89 WeakPolarHBondContact CD-O 3.46Å; K46-V89 PolarHBondContact NZ-O 2.92Å; K46-H90 PolarHBondContact NZ-CE1 2.98Å; K46-H90 PolarHBondContact NZ-ND1 2.89Å; K46-L91 HydrophobicContact CD-CD1 3.43Å; K46-L91 VanDerWaalsContact CD-CD1 3.43Å; K46-L91 HydrophobicContact CG-CD1 3.59Å
47F85.5Confident85.4Confident104 Ų10443.1 Ų43.146%0.45625%0.252SS..EExtended strand (participates in β ladder)trans-77.6139.2171.8-71.2-79.9000110.5M17 G51 E52 L53 L91M17-F47 HydrophobicContact CE-CE1 4.27Å; M17-F47 HydrophobicContact CE-CZ 4.12Å; M17-F47 HydrophobicContact CG-CZ 4.15Å; M17-F47 HydrophobicContact SD-CZ 4.37Å; F47-G51 WeakPolarHBondContact CD1-O 3.41Å; F47-E52 CarbonylContact C-O 3.51Å; F47-E52 WeakPolarHBondContact CA-O 3.42Å; F47-L53 HydrophobicContact CD1-CB 3.97Å; F47-L53 HydrophobicContact CD1-CD1 4.49Å; F47-L53 HydrophobicContact CE1-CB 3.79Å; F47-L53 HydrophobicContact CE1-CD1 4.41Å; F47-L53 HydrophobicContact CE2-CD1 4.43Å; F47-L53 HydrophobicContact CZ-CB 4.43Å; F47-L53 HydrophobicContact CZ-CD1 4.38Å; F47-L91 VanDerWaalsContact O-CD1 3.29Å; F47-L91 WeakPolarHBondContact O-CD1 3.47Å; F47-L91 VanDerWaalsContact O-CD2 3.26Å; F47-L91 WeakPolarHBondContact O-CD2 3.32Å; F47-L91 WeakPolarHBondContact O-CG 3.42Å
48S78.1Confident85.2Confident10 Ų1040.5 Ų40.57%0.0724%0.236CC..  trans-79.4169.4167.869.10000111.7D50 G51 E52 L91S48-D50 PolarHBondContact O-N 2.71Å; S48-G51 PolarHBondContact O-N 3.02Å; S48-E52 PolarHBondContact N-O 2.93Å; S48-E52 WeakPolarHBondContact OG-CB 3.41Å; S48-E52 PolarHBondContact OG-N 3.02Å; S48-E52 PolarHBondContact OG-O 3.07Å; S48-E52 VanDerWaalsContact OG-O 3.12Å; S48-L91 VanDerWaalsContact C-CD2 3.48Å
49E77.7Confident85.2Confident152 Ų15239.8 Ų39.871%0.7122%0.216SC*.THydrogen-bonded Turntrans-59-30.8177.9-68177.9167.600112.3G51 L91E49-G51 PolarHBondContact O-N 3.31Å; E49-L91 HydrophobicContact CG-CD2 3.89Å; E49-L91 VanDerWaalsContact N-CD2 3.3Å
50D81.9Confident84.9Confident115 Ų11540.2 Ų40.262%0.61521%0.213SC*.THydrogen-bonded Turntrans-85.35.8178.8-49.4-63.7000112.6S48 E52 R109S48-D50 PolarHBondContact O-N 2.71Å; D50-E52 VanDerWaalsContact C-N 3.34Å; D50-E52 PolarHBondContact O-N 3.12Å; D50-R109 IonicContact OD2-CZ 3.32Å; D50-R109 IonicContact OD2-NH1 3.93Å; D50-R109 PolarHBondContact OD2-NH1 3.03Å; D50-R109 IonicContact OD2-NH2 2.89Å
51G83.4Confident84.6Confident46 Ų4641.4 Ų41.447%0.47422%0.219SC..SBendtrans83.90.4178.500000115.4F47 S48 E49F47-G51 WeakPolarHBondContact CD1-O 3.41Å; S48-G51 PolarHBondContact O-N 3.02Å; E49-G51 PolarHBondContact O-N 3.31Å
52E84.4Confident84.2Confident72 Ų7242.9 Ų42.934%0.33623%0.225SC..  trans-74.7134.2176.3-57.6-68.4124.200111F47 S48 D50 Y54 K67F47-E52 CarbonylContact C-O 3.51Å; F47-E52 WeakPolarHBondContact CA-O 3.42Å; S48-E52 PolarHBondContact N-O 2.93Å; S48-E52 WeakPolarHBondContact OG-CB 3.41Å; S48-E52 PolarHBondContact OG-N 3.02Å; S48-E52 PolarHBondContact OG-O 3.07Å; S48-E52 VanDerWaalsContact OG-O 3.12Å; D50-E52 VanDerWaalsContact C-N 3.34Å; D50-E52 PolarHBondContact O-N 3.12Å; E52-Y54 HydrophobicContact CB-CE2 3.89Å; E52-K67 WeakPolarHBondContact OE2-CE 3.37Å; E52-K67 IonicContact OE2-NZ 2.75Å; E52-K67 PolarHBondContact OE2-NZ 3.01Å
53L86.2Confident83.7Confident9 Ų944 Ų445%0.04723%0.229CC..EExtended strand (participates in β ladder)trans-89.3129.8178.4171.368.2000111.1M17 I34 P45 F47 Y68M17-L53 HydrophobicContact CE-CD2 3.66Å; I34-L53 HydrophobicContact CD1-CD2 3.39Å; P45-L53 HydrophobicContact CB-CD1 4Å; F47-L53 HydrophobicContact CD1-CB 3.97Å; F47-L53 HydrophobicContact CD1-CD1 4.49Å; F47-L53 HydrophobicContact CE1-CB 3.79Å; F47-L53 HydrophobicContact CE1-CD1 4.41Å; F47-L53 HydrophobicContact CE2-CD1 4.43Å; F47-L53 HydrophobicContact CZ-CB 4.43Å; F47-L53 HydrophobicContact CZ-CD1 4.38Å; L53-Y68 HydrophobicContact CD2-CD1 4.4Å; L53-Y68 HydrophobicContact CD2-CG 4.18Å; L53-Y68 PolarHBondContact O-N 3.32Å
54Y82.8Confident83.4Confident15 Ų1543.3 Ų43.36%0.05923%0.226CC..EExtended strand (participates in β ladder)trans-115.3151.5170.3-64.7-96.6000110.3P45 K46 E52 L65 Y66 K67 H94P45-Y54 CarbonylContact C-O 3.54Å; P45-Y54 VanDerWaalsContact CA-O 3.32Å; P45-Y54 WeakPolarHBondContact CA-O 3.42Å; K46-Y54 PolarHBondContact N-O 2.9Å; K46-Y54 PolarHBondContact O-N 3.24Å; E52-Y54 HydrophobicContact CB-CE2 3.89Å; Y54-L65 HydrophobicContact CD1-CD1 4.34Å; Y54-Y66 CarbonylContact C-O 3.44Å; Y54-Y66 VanDerWaalsContact CA-O 3.22Å; Y54-Y66 WeakPolarHBondContact CA-O 3.35Å; Y54-K67 HydrophobicContact CD1-CB 3.92Å; Y54-K67 HydrophobicContact CD1-CG 4.12Å; Y54-K67 HydrophobicContact CE1-CB 3.72Å; Y54-K67 HydrophobicContact CE1-CD 4.06Å; Y54-K67 HydrophobicContact CE1-CG 3.68Å; Y54-K67 HydrophobicContact CE2-CG 4.42Å; Y54-H94 AromaticContact CD1-CE1 3.6Å; Y54-H94 AromaticContact CD1-NE2 3.76Å; Y54-H94 AromaticContact CE1-NE2 3.76Å; Y54-H94 AromaticContact CG-CE1 3.88Å
55F84.2Confident83.2Confident1 Ų141.4 Ų41.40%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-157.4163.6179.259.6-83000110L15 L35 Y42 P45 Y66 L73L15-F55 HydrophobicContact CD1-CB 3.78Å; L15-F55 HydrophobicContact CD1-CD1 4.08Å; L15-F55 HydrophobicContact CD1-CD2 3.78Å; L15-F55 HydrophobicContact CD1-CE2 4.41Å; L15-F55 HydrophobicContact CD1-CG 3.6Å; L35-F55 HydrophobicContact CD1-CD1 4.33Å; L35-F55 HydrophobicContact CD1-CD2 4.3Å; L35-F55 HydrophobicContact CD1-CE1 3.63Å; L35-F55 HydrophobicContact CD1-CE2 3.58Å; L35-F55 HydrophobicContact CD1-CZ 3.2Å; Y42-F55 AromaticContact CD1-CD2 3.83Å; Y42-F55 HydrophobicContact CD1-CD2 3.83Å; Y42-F55 AromaticContact CD1-CE2 3.69Å; Y42-F55 HydrophobicContact CD1-CE2 3.69Å; Y42-F55 HydrophobicContact CE1-CE2 4.07Å; P45-F55 HydrophobicContact CB-CB 4.4Å; F55-Y66 HydrophobicContact CE2-CD2 4.37Å; F55-Y66 HydrophobicContact CE2-CG 4.05Å; F55-Y66 HydrophobicContact CZ-CG 4.2Å; F55-Y66 PolarHBondContact N-O 2.91Å; F55-Y66 PolarHBondContact O-N 3.35Å; F55-L73 HydrophobicContact CE2-CD2 4.26Å; F55-L73 HydrophobicContact CZ-CD2 3.83Å
56I84.1Confident82.8Confident13 Ų1339.2 Ų39.27%0.06720%0.202CC..EExtended strand (participates in β ladder)trans-95.8141.7171.9-62.4173.3000108.5Y42 M43 Q44 W63 N64 V89 F96Y42-I56 CarbonylContact C-O 3.55Å; Y42-I56 WeakPolarHBondContact CA-O 3.24Å; M43-I56 HydrophobicContact CB-CB 4.21Å; M43-I56 HydrophobicContact CE-CG2 4.01Å; M43-I56 PolarHBondContact N-O 2.95Å; M43-I56 PolarHBondContact O-N 3.27Å; Q44-I56 HydrophobicContact CB-CD1 4.37Å; Q44-I56 HydrophobicContact CG-CD1 4.4Å; I56-W63 HydrophobicContact CG2-CB 3.54Å; I56-W63 HydrophobicContact CG2-CG 3.9Å; I56-N64 CarbonylContact C-O 3.53Å; I56-N64 WeakPolarHBondContact CA-O 3.49Å; I56-V89 HydrophobicContact CD1-CG2 3.9Å; I56-V89 HydrophobicContact CG1-CG2 4.15Å; I56-F96 HydrophobicContact CD1-CD1 4.06Å; I56-F96 HydrophobicContact CD1-CE1 3.71Å; I56-F96 HydrophobicContact CG1-CD1 4.34Å; I56-F96 HydrophobicContact CG1-CE1 3.72Å
57S86.6Confident82.7Confident0 Ų038.4 Ų38.40%020%0.198CC..EExtended strand (participates in β ladder)trans-140.4142.7172.9-178.20000110.8T40 S41 E59 W63 N64 Y66T40-S57 WeakPolarHBondContact CG2-OG 3.47Å; S41-S57 WeakPolarHBondContact O-CA 3.34Å; S57-E59 WeakPolarHBondContact OG-CB 3.44Å; S57-E59 PolarHBondContact OG-N 2.94Å; S57-W63 CarbonylContact O-C 3.51Å; S57-W63 WeakPolarHBondContact O-CA 3.19Å; S57-N64 PolarHBondContact N-O 3.33Å; S57-N64 PolarHBondContact O-N 3.24Å; S57-Y66 VanDerWaalsContact CB-CE2 3.49Å; S57-Y66 WeakPolarHBondContact O-CE2 3.42Å
58D86.7Confident82.7Confident4 Ų436.6 Ų36.62%0.02119%0.189CC..  trans-94.712.4172.263.5-2.1000114.9S41 S60 N61 W62 W63 R262S41-D58 PolarHBondContact N-OD1 3.2Å; S41-D58 PolarHBondContact O-N 2.99Å; D58-S60 PolarHBondContact O-N 2.76Å; D58-N61 CarbonylContact O-C 3.48Å; D58-N61 WeakPolarHBondContact O-CA 3.46Å; D58-N61 PolarHBondContact O-N 3.26Å; D58-W62 WeakPolarHBondContact CA-O 3.28Å; D58-W63 VanDerWaalsContact CB-CD1 3.49Å; D58-W63 HydrophobicContact CB-CG 4.24Å; D58-R262 VanDerWaalsContact CG-NH1 3.34Å; D58-R262 IonicContact OD1-NH1 2.69Å; D58-R262 PolarHBondContact OD1-NH1 2.83Å; D58-R262 WeakPolarHBondContact OD2-CD 3.49Å; D58-R262 IonicContact OD2-CZ 3.79Å; D58-R262 IonicContact OD2-NE 3.68Å; D58-R262 IonicContact OD2-NH1 2.78Å; D58-R262 PolarHBondContact OD2-NH1 3.03Å
59E88.3Confident82.3Confident83 Ų8338.1 Ų38.139%0.38820%0.2SC..THydrogen-bonded Turntrans-54.9-29-179.6-173169.1-155.200113.1T40 S57 N61 L73T40-E59 HydrophobicContact CG2-CB 3.96Å; S57-E59 WeakPolarHBondContact OG-CB 3.44Å; S57-E59 PolarHBondContact OG-N 2.94Å; E59-N61 PolarHBondContact O-N 3.42Å; E59-L73 WeakPolarHBondContact OE2-CD1 3.35Å
60S82.4Confident80.9Confident46 Ų4636 Ų3632%0.32220%0.202SC..THydrogen-bonded Turntrans-8215.1175.764.70000114.9D58 W62 N64 Y66D58-S60 PolarHBondContact O-N 2.76Å; S60-W62 PolarHBondContact O-N 2.59Å; S60-W62 PolarHBondContact OG-O 2.94Å; S60-N64 PolarHBondContact OG-ND2 3.07Å; S60-Y66 WeakPolarHBondContact CB-OH 3.2Å; S60-Y66 PolarHBondContact OG-OH 3.36Å
61N86.8Confident79Confident31 Ų3138.4 Ų38.417%0.16621%0.213CC..SBendtrans72.7-15.1-161.6-171.343.9000114.2D58 E59 G261 R262 K263D58-N61 CarbonylContact O-C 3.48Å; D58-N61 WeakPolarHBondContact O-CA 3.46Å; D58-N61 PolarHBondContact O-N 3.26Å; E59-N61 PolarHBondContact O-N 3.42Å; N61-G261 CarbonylContact O-C 3.5Å; N61-G261 VanDerWaalsContact O-CA 3.25Å; N61-G261 WeakPolarHBondContact O-CA 3.46Å; N61-R262 WeakPolarHBondContact O-CB 3.27Å; N61-R262 PolarHBondContact O-N 3.48Å; N61-R262 PolarHBondContact OD1-N 3.09Å; N61-K263 WeakPolarHBondContact OD1-CB 3.36Å; N61-K263 VanDerWaalsContact OD1-CG 3.26Å; N61-K263 WeakPolarHBondContact OD1-CG 3.27Å; N61-K263 PolarHBondContact OD1-N 3Å
62W81.1Confident76.7Confident31 Ų3143.3 Ų43.312%0.11722%0.224CC..SBendtrans-130.5144.6-175.4-62.4101.4000110.6D58 S60 N64 W81 R82 E99 G261D58-W62 WeakPolarHBondContact CA-O 3.28Å; S60-W62 PolarHBondContact O-N 2.59Å; S60-W62 PolarHBondContact OG-O 2.94Å; W62-N64 PolarHBondContact O-N 2.86Å; W62-W81 WeakPolarHBondContact CB-O 3.43Å; W62-R82 HydrophobicContact CD2-CB 3.57Å; W62-R82 HydrophobicContact CD2-CG 3.69Å; W62-R82 HydrophobicContact CE3-CB 3.44Å; W62-R82 VanDerWaalsContact CE3-CB 3.44Å; W62-R82 HydrophobicContact CE3-CG 4.09Å; W62-R82 HydrophobicContact CG-CB 4.27Å; W62-R82 HydrophobicContact CG-CG 4.21Å; W62-R82 HydrophobicContact CH2-CB 3.5Å; W62-R82 HydrophobicContact CH2-CG 3.74Å; W62-R82 HydrophobicContact CZ2-CB 3.72Å; W62-R82 HydrophobicContact CZ2-CG 3.4Å; W62-R82 VanDerWaalsContact CZ2-CG 3.4Å; W62-R82 HydrophobicContact CZ3-CB 3.35Å; W62-R82 HydrophobicContact CZ3-CG 4.06Å; W62-E99 VanDerWaalsContact CH2-CD 3.44Å; W62-E99 HydrophobicContact CH2-CG 4.22Å; W62-E99 WeakPolarHBondContact CH2-OE1 3.41Å; W62-E99 HydrophobicContact CZ3-CG 3.98Å; W62-G261 VanDerWaalsContact CH2-N 3.34Å
63W78.7Confident74.5Confident24 Ų2443.1 Ų43.19%0.09122%0.224CC..  trans-66.676.9177-81.5-42.9000112.2W10 M43 I56 S57 D58 Y83W10-W63 HydrophobicContact CB-CH2 4.31Å; W10-W63 HydrophobicContact CB-CZ2 3.83Å; M43-W63 HydrophobicContact CE-CB 4.5Å; M43-W63 HydrophobicContact CE-CD2 3.52Å; M43-W63 HydrophobicContact CE-CE3 4.26Å; M43-W63 HydrophobicContact CE-CG 3.59Å; M43-W63 HydrophobicContact CE-CZ2 3.95Å; M43-W63 HydrophobicContact SD-CZ2 4.28Å; I56-W63 HydrophobicContact CG2-CB 3.54Å; I56-W63 HydrophobicContact CG2-CG 3.9Å; S57-W63 CarbonylContact O-C 3.51Å; S57-W63 WeakPolarHBondContact O-CA 3.19Å; D58-W63 VanDerWaalsContact CB-CD1 3.49Å; D58-W63 HydrophobicContact CB-CG 4.24Å; W63-Y83 VanDerWaalsContact O-CB 3.26Å; W63-Y83 WeakPolarHBondContact O-CB 3.38Å; W63-Y83 WeakPolarHBondContact O-CD2 2.83Å
64N78.5Confident72.1Confident6 Ų644.6 Ų44.63%0.03224%0.236CC..EExtended strand (participates in β ladder)trans-88.3157.9-179.9-83.4-51.7000111.7I56 S57 S60 W62 Y66 W81 Y83I56-N64 CarbonylContact C-O 3.53Å; I56-N64 WeakPolarHBondContact CA-O 3.49Å; S57-N64 PolarHBondContact N-O 3.33Å; S57-N64 PolarHBondContact O-N 3.24Å; S60-N64 PolarHBondContact OG-ND2 3.07Å; W62-N64 PolarHBondContact O-N 2.86Å; N64-Y66 HydrophobicContact CB-CD2 4.36Å; N64-Y66 HydrophobicContact CB-CE2 3.54Å; N64-Y66 WeakPolarHBondContact O-CD2 3.29Å; N64-Y66 VanDerWaalsContact O-CE2 3.28Å; N64-Y66 WeakPolarHBondContact O-CE2 3.35Å; N64-W81 PolarHBondContact ND2-O 3.07Å; N64-W81 WeakPolarHBondContact OD1-CB 3.08Å; N64-W81 PolarHBondContact OD1-O 2.95Å; N64-Y83 VanDerWaalsContact OD1-CE2 3.23Å; N64-Y83 WeakPolarHBondContact OD1-CE2 3.22Å
65L78.5Confident70Confident2 Ų246.4 Ų46.41%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-83.1129.5173.5172.768.9000110.7Y54 Y77 H94 F96 V107Y54-L65 HydrophobicContact CD1-CD1 4.34Å; L65-Y77 HydrophobicContact CB-CD2 4.06Å; L65-Y77 HydrophobicContact CB-CE2 4.39Å; L65-Y77 HydrophobicContact CD2-CD2 3.9Å; L65-Y77 HydrophobicContact CD2-CE2 3.5Å; L65-Y77 VanDerWaalsContact CD2-CE2 3.5Å; L65-Y77 HydrophobicContact CG-CD2 4.21Å; L65-Y77 HydrophobicContact CG-CE2 4.03Å; L65-H94 HydrophobicContact CD2-CB 3.91Å; L65-H94 WeakPolarHBondContact CD2-CE1 3.37Å; L65-H94 WeakPolarHBondContact CD2-ND1 3.42Å; L65-F96 HydrophobicContact CB-CE1 4.38Å; L65-F96 HydrophobicContact CB-CZ 4.46Å; L65-F96 HydrophobicContact CD1-CE1 3.99Å; L65-F96 HydrophobicContact CD1-CE2 4.28Å; L65-F96 HydrophobicContact CD1-CZ 3.55Å; L65-F96 HydrophobicContact CD2-CE2 4.08Å; L65-F96 HydrophobicContact CD2-CZ 4.18Å; L65-F96 HydrophobicContact CG-CZ 4.26Å; L65-V107 HydrophobicContact CD2-CG2 4.37Å
66Y79.6Confident68.1Low4 Ų449 Ų492%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-123.6150.9178.7-67-98.2000111Y54 F55 S57 S60 N64 L73 V75Y54-Y66 CarbonylContact C-O 3.44Å; Y54-Y66 VanDerWaalsContact CA-O 3.22Å; Y54-Y66 WeakPolarHBondContact CA-O 3.35Å; F55-Y66 HydrophobicContact CE2-CD2 4.37Å; F55-Y66 HydrophobicContact CE2-CG 4.05Å; F55-Y66 HydrophobicContact CZ-CG 4.2Å; F55-Y66 PolarHBondContact N-O 2.91Å; F55-Y66 PolarHBondContact O-N 3.35Å; S57-Y66 VanDerWaalsContact CB-CE2 3.49Å; S57-Y66 WeakPolarHBondContact O-CE2 3.42Å; S60-Y66 WeakPolarHBondContact CB-OH 3.2Å; S60-Y66 PolarHBondContact OG-OH 3.36Å; N64-Y66 HydrophobicContact CB-CD2 4.36Å; N64-Y66 HydrophobicContact CB-CE2 3.54Å; N64-Y66 WeakPolarHBondContact O-CD2 3.29Å; N64-Y66 VanDerWaalsContact O-CE2 3.28Å; N64-Y66 WeakPolarHBondContact O-CE2 3.35Å; Y66-L73 HydrophobicContact CD1-CD2 3.47Å; Y66-L73 VanDerWaalsContact CD1-CD2 3.47Å; Y66-L73 HydrophobicContact CE1-CD2 3.92Å; Y66-L73 HydrophobicContact CG-CD2 4.1Å; Y66-V75 HydrophobicContact CE1-CB 4.35Å; Y66-V75 HydrophobicContact CE1-CG2 3.81Å
67K82.2Confident66Low38 Ų3849.1 Ų49.117%0.16526%0.259CS..EExtended strand (participates in β ladder)trans-107.8131.3169.2-171.6-171.4-178.6-154.70108.3E52 Y54 S69 K76E52-K67 WeakPolarHBondContact OE2-CE 3.37Å; E52-K67 IonicContact OE2-NZ 2.75Å; E52-K67 PolarHBondContact OE2-NZ 3.01Å; Y54-K67 HydrophobicContact CD1-CB 3.92Å; Y54-K67 HydrophobicContact CD1-CG 4.12Å; Y54-K67 HydrophobicContact CE1-CB 3.72Å; Y54-K67 HydrophobicContact CE1-CD 4.06Å; Y54-K67 HydrophobicContact CE1-CG 3.68Å; Y54-K67 HydrophobicContact CE2-CG 4.42Å; K67-S69 PolarHBondContact O-N 3.03Å; K67-S69 VanDerWaalsContact O-N 3.16Å; K67-K76 HydrophobicContact CB-CD 3.91Å; K67-K76 HydrophobicContact CD-CD 4.22Å
68Y83.6Confident63.2Low66 Ų6653.7 Ų53.726%0.25929%0.287SS..EExtended strand (participates in β ladder)trans-77.498.4172-174.5-106.7000109.3M17 I34 L35 L53M17-Y68 HydrophobicContact CE-CD1 3.94Å; M17-Y68 HydrophobicContact CE-CE1 3.87Å; I34-Y68 HydrophobicContact CB-CE2 3.89Å; I34-Y68 HydrophobicContact CD1-CD2 4.25Å; I34-Y68 HydrophobicContact CD1-CE2 4.19Å; I34-Y68 HydrophobicContact CD1-CG 4.49Å; I34-Y68 HydrophobicContact CG1-CE2 4.42Å; L35-Y68 HydrophobicContact CD1-CD2 4.16Å; L35-Y68 HydrophobicContact CG-CD2 4.36Å; L35-Y68 HydrophobicContact CG-CE2 4.32Å; L53-Y68 HydrophobicContact CD2-CD1 4.4Å; L53-Y68 HydrophobicContact CD2-CG 4.18Å; L53-Y68 PolarHBondContact O-N 3.32Å
69S71.2Confident60.3Low42 Ų4259.1 Ų59.129%0.29432%0.316SS..  trans-109.1149.3166.246.20000110.4K67 I71 E72K67-S69 PolarHBondContact O-N 3.03Å; K67-S69 VanDerWaalsContact O-N 3.16Å; S69-I71 PolarHBondContact O-N 3.2Å; S69-I71 VanDerWaalsContact O-N 3.11Å; S69-E72 PolarHBondContact OG-O 3.43Å
70S46.8Very low57.3Low109 Ų10962.9 Ų62.976%0.76233%0.334SS*.SBendtrans-60.4115.7170.852.20000110
71I42.4Very low54.9Low165 Ų16564.2 Ų64.285%0.84633%0.332SS*.SBendtrans101.4-21.1160.9-56.5171.5000118.1S69S69-I71 PolarHBondContact O-N 3.2Å; S69-I71 VanDerWaalsContact O-N 3.11Å
72E35.9Very low52.4Low149 Ų14967.9 Ų67.970%0.69634%0.343SS*.  trans-141.5128.4169.8-73.3179.8162.800110.6S69 S74S69-E72 PolarHBondContact OG-O 3.43Å; E72-S74 PolarHBondContact O-N 2.75Å
73L37.1Very low50.1Low67 Ų6767.5 Ų67.535%0.35134%0.342SS..  trans-61.781155.3-87.5140.9000106.1L35 F55 E59 Y66 V75L35-L73 HydrophobicContact CD2-CD1 4.46Å; F55-L73 HydrophobicContact CE2-CD2 4.26Å; F55-L73 HydrophobicContact CZ-CD2 3.83Å; E59-L73 WeakPolarHBondContact OE2-CD1 3.35Å; Y66-L73 HydrophobicContact CD1-CD2 3.47Å; Y66-L73 VanDerWaalsContact CD1-CD2 3.47Å; Y66-L73 HydrophobicContact CE1-CD2 3.92Å; Y66-L73 HydrophobicContact CG-CD2 4.1Å; L73-V75 PolarHBondContact O-N 2.72Å
74S37.6Very low47.9Very low41 Ų4166.9 Ų66.929%0.28734%0.341SS..  trans-64.4107.5163.849.30000105.4E72 K76E72-S74 PolarHBondContact O-N 2.75Å; S74-K76 PolarHBondContact O-N 3.23Å
75V37.4Very low45.9Very low52 Ų5273.5 Ų73.532%0.31537%0.367SS..  trans-60.191.7157.9-172.40000104Y66 L73 Y77 T78Y66-V75 HydrophobicContact CE1-CB 4.35Å; Y66-V75 HydrophobicContact CE1-CG2 3.81Å; L73-V75 PolarHBondContact O-N 2.72Å; V75-Y77 PolarHBondContact O-N 2.94Å; V75-T78 HydrophobicContact CB-CG2 3.56Å; V75-T78 HydrophobicContact CG1-CG2 3.28Å
76K43.7Very low43.7Very low55 Ų5581.3 Ų81.324%0.23940%0.396CS..SBendtrans-72.5-21.5-175.3-92.7173162.8-86.60111.5K67 S74 D112K67-K76 HydrophobicContact CB-CD 3.91Å; K67-K76 HydrophobicContact CD-CD 4.22Å; S74-K76 PolarHBondContact O-N 3.23Å; K76-D112 IonicContact NZ-OD1 3.04Å; K76-D112 PolarHBondContact NZ-OD1 2.72Å; K76-D112 IonicContact NZ-OD2 3.57Å; K76-D112 PolarHBondContact NZ-OD2 2.82Å
77Y40.6Very low41.4Very low17 Ų1782.2 Ų82.27%0.06741%0.406CS..  trans-11883.1178.4-52.6-67.1000109.2L65 V75 V107 C114L65-Y77 HydrophobicContact CB-CD2 4.06Å; L65-Y77 HydrophobicContact CB-CE2 4.39Å; L65-Y77 HydrophobicContact CD2-CD2 3.9Å; L65-Y77 HydrophobicContact CD2-CE2 3.5Å; L65-Y77 VanDerWaalsContact CD2-CE2 3.5Å; L65-Y77 HydrophobicContact CG-CD2 4.21Å; L65-Y77 HydrophobicContact CG-CE2 4.03Å; V75-Y77 PolarHBondContact O-N 2.94Å; Y77-V107 HydrophobicContact CD1-CG2 4.22Å; Y77-V107 HydrophobicContact CE1-CB 4.23Å; Y77-V107 HydrophobicContact CE1-CG1 3.39Å; Y77-V107 HydrophobicContact CE1-CG2 3.82Å; Y77-V107 HydrophobicContact CE2-CG1 4.12Å; Y77-V107 HydrophobicContact CE2-CG2 4.32Å; Y77-V107 WeakPolarHBondContact OH-CG1 3.03Å; Y77-C114 HydrophobicContact CD1-CB 4.39Å
78T29.2Very low38.8Very low95 Ų9581.6 Ų81.658%0.58341%0.411SS*.  trans-105.580168.954.30000109.9V75V75-T78 HydrophobicContact CB-CG2 3.56Å; V75-T78 HydrophobicContact CG1-CG2 3.28Å
79N25.8Very low36.3Very low118 Ų11879 Ų7963%0.63140%0.402SS*.SBendtrans-119.475.5138.4-61.9-20.4000105W81N79-W81 HydrophobicContact CB-CD2 4.38Å; N79-W81 HydrophobicContact CB-CZ2 3.72Å; N79-W81 WeakPolarHBondContact O-CA 3.43Å; N79-W81 VanDerWaalsContact O-CD2 3.23Å; N79-W81 PolarHBondContact O-N 3.44Å; N79-W81 PolarHBondContact O-NE1 3.25Å
80E24.3Very low34.3Very low163 Ų16381.1 Ų81.176%0.76241%0.407SS*.  trans32.355.4173.1-61.7-173.8173.500113.7R82E80-R82 VanDerWaalsContact O-CG 3.31Å; E80-R82 WeakPolarHBondContact O-CG 3.45Å
81W32.6Very low33.6Very low73 Ų7378.4 Ų78.428%0.27738%0.384SS..  trans-90.1143.2-168.9-62.2106.3000110.9W62 N64 N79 Y83W62-W81 WeakPolarHBondContact CB-O 3.43Å; N64-W81 PolarHBondContact ND2-O 3.07Å; N64-W81 WeakPolarHBondContact OD1-CB 3.08Å; N64-W81 PolarHBondContact OD1-O 2.95Å; N79-W81 HydrophobicContact CB-CD2 4.38Å; N79-W81 HydrophobicContact CB-CZ2 3.72Å; N79-W81 WeakPolarHBondContact O-CA 3.43Å; N79-W81 VanDerWaalsContact O-CD2 3.23Å; N79-W81 PolarHBondContact O-N 3.44Å; N79-W81 PolarHBondContact O-NE1 3.25Å; W81-Y83 HydrophobicContact CB-CE2 3.98Å
82R33.1Very low33.1Very low109 Ų10972.1 Ų72.141%0.41136%0.355SS..  trans-127.8131-157.7-59.2-173.5179.8-177.62.8107.7W62 E80 E99W62-R82 HydrophobicContact CD2-CB 3.57Å; W62-R82 HydrophobicContact CD2-CG 3.69Å; W62-R82 HydrophobicContact CE3-CB 3.44Å; W62-R82 VanDerWaalsContact CE3-CB 3.44Å; W62-R82 HydrophobicContact CE3-CG 4.09Å; W62-R82 HydrophobicContact CG-CB 4.27Å; W62-R82 HydrophobicContact CG-CG 4.21Å; W62-R82 HydrophobicContact CH2-CB 3.5Å; W62-R82 HydrophobicContact CH2-CG 3.74Å; W62-R82 HydrophobicContact CZ2-CB 3.72Å; W62-R82 HydrophobicContact CZ2-CG 3.4Å; W62-R82 VanDerWaalsContact CZ2-CG 3.4Å; W62-R82 HydrophobicContact CZ3-CB 3.35Å; W62-R82 HydrophobicContact CZ3-CG 4.06Å; E80-R82 VanDerWaalsContact O-CG 3.31Å; E80-R82 WeakPolarHBondContact O-CG 3.45Å; R82-E99 HydrophobicContact CB-CB 3.43Å; R82-E99 VanDerWaalsContact CB-CB 3.43Å; R82-E99 HydrophobicContact CB-CG 3.75Å; R82-E99 WeakPolarHBondContact CB-OE2 3.08Å; R82-E99 WeakPolarHBondContact CD-OE2 3.39Å; R82-E99 WeakPolarHBondContact CG-OE2 3.2Å; R82-E99 IonicContact NH1-OE2 3.13Å; R82-E99 VanDerWaalsContact O-CB 3.32Å; R82-E99 WeakPolarHBondContact O-CB 3.44Å; R82-E99 PolarHBondContact O-N 3.3Å
83Y32.6Very low33Very low23 Ų2366 Ų669%0.0933%0.326CS..  trans-145.9134.2-167.6-77.2-82.8000114.9W63 N64 W81 F96 D97 A98W63-Y83 VanDerWaalsContact O-CB 3.26Å; W63-Y83 WeakPolarHBondContact O-CB 3.38Å; W63-Y83 WeakPolarHBondContact O-CD2 2.83Å; N64-Y83 VanDerWaalsContact OD1-CE2 3.23Å; N64-Y83 WeakPolarHBondContact OD1-CE2 3.22Å; W81-Y83 HydrophobicContact CB-CE2 3.98Å; Y83-F96 HydrophobicContact CE1-CB 3.59Å; Y83-D97 WeakPolarHBondContact CD1-O 3.48Å; Y83-D97 VanDerWaalsContact CE1-O 3.22Å; Y83-D97 WeakPolarHBondContact CE1-O 3.37Å; Y83-A98 HydrophobicContact CE1-CB 4.4Å
84P32.7Very low33.1Very low10 Ų1063.1 Ų63.17%0.06531%0.311CS..  trans-112.6167.7150.928.2-22.5000116.1
85Y37.1Very low32.7Very low146 Ų14661.5 Ų61.557%0.57330%0.3SS*.  trans-89.2131.8-169.5168.1-98000115.8
86R32.3Very low32.6Very low165 Ų16559.8 Ų59.862%0.62329%0.288SS*.  trans-166.4-1.3145.9-108.6178.1-159.3-119.25117.3
87G31.2Very low32Very low23 Ų2357.8 Ų57.824%0.23728%0.28CS..  trans-117.7152.5-177.500000114.5Q44Q44-G87 PolarHBondContact NE2-O 3.1Å; Q44-G87 PolarHBondContact OE1-O 3.46Å
88G28.6Very low31.5Very low26 Ų2657.1 Ų57.127%0.26828%0.279SS..  trans-89.2140.3176.800000113.2Q44 H90Q44-G88 VanDerWaalsContact OE1-CA 3.23Å; G88-H90 PolarHBondContact O-N 2.81Å
89V29.9Very low31.8Very low10 Ų1054.3 Ų54.36%0.06126%0.259CS..  trans-68.2117.2171-179.30000109.8Q44 K46 I56 F96Q44-V89 HydrophobicContact CB-CB 4.41Å; Q44-V89 HydrophobicContact CB-CG2 3.8Å; K46-V89 WeakPolarHBondContact CD-O 3.46Å; K46-V89 PolarHBondContact NZ-O 2.92Å; I56-V89 HydrophobicContact CD1-CG2 3.9Å; I56-V89 HydrophobicContact CG1-CG2 4.15Å; V89-F96 HydrophobicContact CB-CE1 4.3Å; V89-F96 HydrophobicContact CB-CZ 3.87Å; V89-F96 HydrophobicContact CG1-CE1 4.4Å; V89-F96 HydrophobicContact CG1-CE2 4.22Å; V89-F96 HydrophobicContact CG1-CZ 3.53Å; V89-F96 HydrophobicContact CG2-CD1 4.34Å; V89-F96 HydrophobicContact CG2-CE1 3.22Å; V89-F96 HydrophobicContact CG2-CE2 4.36Å; V89-F96 HydrophobicContact CG2-CZ 3.24Å
90H30.3Very low32.4Very low87 Ų8750.6 Ų50.640%0.40324%0.24SC..  trans-116.5142.9168.4-85.8-95.8000112.7K46 G88 I93 I127K46-H90 PolarHBondContact NZ-CE1 2.98Å; K46-H90 PolarHBondContact NZ-ND1 2.89Å; G88-H90 PolarHBondContact O-N 2.81Å; H90-I93 VanDerWaalsContact O-O 3.09Å; H90-I127 WeakPolarHBondContact CB-O 3.35Å; H90-I127 PolarHBondContact CD2-O 3.38Å
91L32.2Very low33Very low53 Ų5346.4 Ų46.428%0.27722%0.221SC..SBendtrans-63153.9-170.4-83.882.2000113.2K46 F47 S48 E49 I93K46-L91 HydrophobicContact CD-CD1 3.43Å; K46-L91 VanDerWaalsContact CD-CD1 3.43Å; K46-L91 HydrophobicContact CG-CD1 3.59Å; F47-L91 VanDerWaalsContact O-CD1 3.29Å; F47-L91 WeakPolarHBondContact O-CD1 3.47Å; F47-L91 VanDerWaalsContact O-CD2 3.26Å; F47-L91 WeakPolarHBondContact O-CD2 3.32Å; F47-L91 WeakPolarHBondContact O-CG 3.42Å; S48-L91 VanDerWaalsContact C-CD2 3.48Å; E49-L91 HydrophobicContact CG-CD2 3.89Å; E49-L91 VanDerWaalsContact N-CD2 3.3Å; L91-I93 PolarHBondContact O-N 3.37Å
92S31.5Very low34.2Very low33 Ų3343 Ų4323%0.23121%0.208CC..SBendtrans78.9-24.9170.976.20000116.1F129S92-F129 WeakPolarHBondContact OG-CD1 3.44Å; S92-F129 WeakPolarHBondContact OG-CE1 3.46Å
93I32.9Very low35.7Very low19 Ų1939.2 Ų39.210%0.09720%0.195CC..SBendtrans-136.6111.1171.4-70.5-167.1000107.5H90 L91 A95 I106 F129 I135 V153H90-I93 VanDerWaalsContact O-O 3.09Å; L91-I93 PolarHBondContact O-N 3.37Å; I93-A95 VanDerWaalsContact C-N 3.31Å; I93-A95 PolarHBondContact O-N 3.43Å; I93-I106 HydrophobicContact CB-CG2 4.14Å; I93-I106 HydrophobicContact CD1-CD1 4.1Å; I93-I106 HydrophobicContact CD1-CG2 4.05Å; I93-I106 HydrophobicContact CG1-CG2 3.96Å; I93-I106 HydrophobicContact CG2-CB 3.77Å; I93-I106 HydrophobicContact CG2-CD1 3.8Å; I93-I106 HydrophobicContact CG2-CG1 3.37Å; I93-I106 HydrophobicContact CG2-CG2 3.52Å; I93-F129 HydrophobicContact CB-CD2 4.13Å; I93-F129 HydrophobicContact CB-CE2 4.45Å; I93-F129 HydrophobicContact CB-CG 4.47Å; I93-F129 HydrophobicContact CD1-CD2 3.64Å; I93-F129 HydrophobicContact CD1-CE1 4.45Å; I93-F129 HydrophobicContact CD1-CE2 3.09Å; I93-F129 HydrophobicContact CD1-CZ 3.54Å; I93-F129 HydrophobicContact CG1-CD2 4.04Å; I93-F129 HydrophobicContact CG1-CE2 3.87Å; I93-F129 HydrophobicContact CG1-CG 4.5Å; I93-F129 HydrophobicContact CG1-CZ 4.1Å; I93-I135 HydrophobicContact CG2-CD1 3.73Å; I93-I135 HydrophobicContact CG2-CG1 4.4Å; I93-V153 HydrophobicContact CD1-CB 4.41Å; I93-V153 HydrophobicContact CD1-CG1 3.94Å; I93-V153 HydrophobicContact CD1-CG2 3.88Å
94H39Very low37.7Very low7 Ų738.1 Ų38.13%0.03219%0.19CC..  trans-73.392.6174.4-69.2-82.7000109.4Y54 L65 F96 N105 I106 V107Y54-H94 AromaticContact CD1-CE1 3.6Å; Y54-H94 AromaticContact CD1-NE2 3.76Å; Y54-H94 AromaticContact CE1-NE2 3.76Å; Y54-H94 AromaticContact CG-CE1 3.88Å; L65-H94 HydrophobicContact CD2-CB 3.91Å; L65-H94 WeakPolarHBondContact CD2-CE1 3.37Å; L65-H94 WeakPolarHBondContact CD2-ND1 3.42Å; H94-F96 VanDerWaalsContact CA-CE2 3.48Å; H94-F96 HydrophobicContact CB-CD2 3.49Å; H94-F96 VanDerWaalsContact CB-CD2 3.49Å; H94-F96 HydrophobicContact CB-CE2 3.25Å; H94-F96 HydrophobicContact CB-CZ 4.42Å; H94-F96 AromaticContact CG-CE2 3.58Å; H94-F96 AromaticContact ND1-CE2 3.11Å; H94-F96 WeakPolarHBondContact ND1-CE2 3.4Å; H94-F96 AromaticContact ND1-CZ 3.52Å; H94-N105 CarbonylContact C-O 3.53Å; H94-N105 CarbonylContact O-C 3.47Å; H94-I106 WeakPolarHBondContact O-CA 3.28Å; H94-I106 PolarHBondContact O-N 3.48Å; H94-V107 HydrophobicContact CB-CB 3.54Å; H94-V107 HydrophobicContact CB-CG2 3.55Å; H94-V107 PolarHBondContact O-N 2.73Å
95A29.6Very low39.6Very low7 Ų737.9 Ų37.96%0.05819%0.189CC..  trans-86.2105.5162.500000109.7I93 L104 N105 I127I93-A95 VanDerWaalsContact C-N 3.31Å; I93-A95 PolarHBondContact O-N 3.43Å; A95-L104 HydrophobicContact CB-CD1 3.3Å; A95-N105 WeakPolarHBondContact CA-O 3.46Å; A95-I127 HydrophobicContact CB-CB 4.03Å; A95-I127 HydrophobicContact CB-CD1 3.62Å; A95-I127 HydrophobicContact CB-CG1 4.39Å; A95-I127 HydrophobicContact CB-CG2 3.35Å
96F36.5Very low41.4Very low16 Ų1631.6 Ų31.67%0.0717%0.165CC..  trans-132.7133176.4-63.3-109.9000106.4I56 L65 Y83 V89 H94 N105I56-F96 HydrophobicContact CD1-CD1 4.06Å; I56-F96 HydrophobicContact CD1-CE1 3.71Å; I56-F96 HydrophobicContact CG1-CD1 4.34Å; I56-F96 HydrophobicContact CG1-CE1 3.72Å; L65-F96 HydrophobicContact CB-CE1 4.38Å; L65-F96 HydrophobicContact CB-CZ 4.46Å; L65-F96 HydrophobicContact CD1-CE1 3.99Å; L65-F96 HydrophobicContact CD1-CE2 4.28Å; L65-F96 HydrophobicContact CD1-CZ 3.55Å; L65-F96 HydrophobicContact CD2-CE2 4.08Å; L65-F96 HydrophobicContact CD2-CZ 4.18Å; L65-F96 HydrophobicContact CG-CZ 4.26Å; Y83-F96 HydrophobicContact CE1-CB 3.59Å; V89-F96 HydrophobicContact CB-CE1 4.3Å; V89-F96 HydrophobicContact CB-CZ 3.87Å; V89-F96 HydrophobicContact CG1-CE1 4.4Å; V89-F96 HydrophobicContact CG1-CE2 4.22Å; V89-F96 HydrophobicContact CG1-CZ 3.53Å; V89-F96 HydrophobicContact CG2-CD1 4.34Å; V89-F96 HydrophobicContact CG2-CE1 3.22Å; V89-F96 HydrophobicContact CG2-CE2 4.36Å; V89-F96 HydrophobicContact CG2-CZ 3.24Å; H94-F96 VanDerWaalsContact CA-CE2 3.48Å; H94-F96 HydrophobicContact CB-CD2 3.49Å; H94-F96 VanDerWaalsContact CB-CD2 3.49Å; H94-F96 HydrophobicContact CB-CE2 3.25Å; H94-F96 HydrophobicContact CB-CZ 4.42Å; H94-F96 AromaticContact CG-CE2 3.58Å; H94-F96 AromaticContact ND1-CE2 3.11Å; H94-F96 WeakPolarHBondContact ND1-CE2 3.4Å; H94-F96 AromaticContact ND1-CZ 3.52Å; F96-N105 PolarHBondContact O-N 3.06Å
97D29.9Very low43.3Very low13 Ų1324 Ų247%0.0714%0.137CC..BIsolated β-bridgetrans-81.6111.6-179.2177.9-39000108.2Y83 E102 E103 H124Y83-D97 WeakPolarHBondContact CD1-O 3.48Å; Y83-D97 VanDerWaalsContact CE1-O 3.22Å; Y83-D97 WeakPolarHBondContact CE1-O 3.37Å; D97-E102 VanDerWaalsContact CG-O 3.27Å; D97-E102 WeakPolarHBondContact OD1-CA 3.32Å; D97-E102 WeakPolarHBondContact OD1-CB 3.23Å; D97-E103 WeakPolarHBondContact CA-O 3.46Å; D97-H124 PolarHBondContact OD2-N 3.45Å
98A29.8Very low45.2Very low4 Ų426 Ų263%0.03314%0.142CC..  trans-85.8159.1-176.800000112.6Y83 E102Y83-A98 HydrophobicContact CE1-CB 4.4Å; A98-E102 VanDerWaalsContact O-CA 3.3Å; A98-E102 WeakPolarHBondContact O-CA 3.47Å; A98-E102 PolarHBondContact O-N 3.24Å; A98-E102 VanDerWaalsContact O-N 3.1Å
99E35.6Very low47Very low35 Ų3527.8 Ų27.816%0.16414%0.141CC..THydrogen-bonded Turntrans-48149.5178.8-144.4-157.6179.100114W62 R82 E101 G259W62-E99 VanDerWaalsContact CH2-CD 3.44Å; W62-E99 HydrophobicContact CH2-CG 4.22Å; W62-E99 WeakPolarHBondContact CH2-OE1 3.41Å; W62-E99 HydrophobicContact CZ3-CG 3.98Å; R82-E99 HydrophobicContact CB-CB 3.43Å; R82-E99 VanDerWaalsContact CB-CB 3.43Å; R82-E99 HydrophobicContact CB-CG 3.75Å; R82-E99 WeakPolarHBondContact CB-OE2 3.08Å; R82-E99 WeakPolarHBondContact CD-OE2 3.39Å; R82-E99 WeakPolarHBondContact CG-OE2 3.2Å; R82-E99 IonicContact NH1-OE2 3.13Å; R82-E99 VanDerWaalsContact O-CB 3.32Å; R82-E99 WeakPolarHBondContact O-CB 3.44Å; R82-E99 PolarHBondContact O-N 3.3Å; E99-E101 PolarHBondContact O-N 3.24Å; E99-G259 WeakPolarHBondContact CG-O 3.44Å
100V38.6Very low48.9Very low40 Ų4037.1 Ų37.124%0.24218%0.18CC..THydrogen-bonded Turntrans55.6-19.7166.8-1630000117.2L178 R233V100-L178 HydrophobicContact CG1-CD2 3.57Å; V100-R233 PolarHBondContact O-NH1 3.26Å; V100-R233 PolarHBondContact O-NH2 3.22Å; V100-R233 VanDerWaalsContact O-NH2 3.1Å
101E37.9Very low50.8Low76 Ų7635.5 Ų35.536%0.35518%0.179SC..THydrogen-bonded Turntrans-121.8-2175.7-70.7-105.1141.500112.3E99 E103 R116 F122E99-E101 PolarHBondContact O-N 3.24Å; E101-E103 HydrophobicContact CB-CG 3.49Å; E101-E103 VanDerWaalsContact CB-CG 3.49Å; E101-E103 WeakPolarHBondContact CB-OE1 3.31Å; E101-E103 PolarHBondContact O-N 2.85Å; E101-E103 VanDerWaalsContact O-N 3.13Å; E101-R116 IonicContact OE2-CZ 3.55Å; E101-R116 IonicContact OE2-NH1 2.79Å; E101-R116 PolarHBondContact OE2-NH1 3.3Å; E101-R116 IonicContact OE2-NH2 3.94Å; E101-R116 PolarHBondContact OE2-NH2 2.76Å; E101-F122 WeakPolarHBondContact O-CD1 3.23Å
102E56.7Low52.2Low0 Ų036.1 Ų36.10%018%0.183CC..  trans58.421.7174.2-59.9-177.5145.700115.5D97 A98 F122 E123 R230D97-E102 VanDerWaalsContact CG-O 3.27Å; D97-E102 WeakPolarHBondContact OD1-CA 3.32Å; D97-E102 WeakPolarHBondContact OD1-CB 3.23Å; A98-E102 VanDerWaalsContact O-CA 3.3Å; A98-E102 WeakPolarHBondContact O-CA 3.47Å; A98-E102 PolarHBondContact O-N 3.24Å; A98-E102 VanDerWaalsContact O-N 3.1Å; E102-F122 CarbonylContact C-O 3.53Å; E102-F122 HydrophobicContact CB-CB 4.36Å; E102-F122 WeakPolarHBondContact CB-O 3.4Å; E102-E123 HydrophobicContact CB-CB 4.28Å; E102-E123 WeakPolarHBondContact OE2-CB 3.3Å; E102-R230 IonicContact OE1-CZ 2.72Å; E102-R230 IonicContact OE1-NH1 2.71Å; E102-R230 IonicContact OE1-NH2 3.62Å; E102-R230 PolarHBondContact OE1-NH2 3.48Å
103E64Low54Low30 Ų3038.8 Ų38.814%0.1419%0.194CC..  trans-67.8134.6-159.4-50.6173.417400115.3D97 E101 N105 R116D97-E103 WeakPolarHBondContact CA-O 3.46Å; E101-E103 HydrophobicContact CB-CG 3.49Å; E101-E103 VanDerWaalsContact CB-CG 3.49Å; E101-E103 WeakPolarHBondContact CB-OE1 3.31Å; E101-E103 PolarHBondContact O-N 2.85Å; E101-E103 VanDerWaalsContact O-N 3.13Å; E103-N105 PolarHBondContact O-N 3.36Å; E103-N105 PolarHBondContact O-ND2 3.12Å; E103-R116 HydrophobicContact CB-CG 4.07Å; E103-R116 HydrophobicContact CG-CG 4.33Å; E103-R116 IonicContact OE1-CZ 3.25Å; E103-R116 IonicContact OE1-NE 2.92Å; E103-R116 PolarHBondContact OE1-NE 2.99Å; E103-R116 IonicContact OE1-NH1 2.65Å; E103-R116 PolarHBondContact OE1-NH1 3.46Å; E103-R116 IonicContact OE1-NH2 3.86Å; E103-R116 PolarHBondContact OE1-NH2 3.49Å; E103-R116 WeakPolarHBondContact OE2-CD 3.48Å; E103-R116 VanDerWaalsContact OE2-CG 3.3Å; E103-R116 WeakPolarHBondContact OE2-CG 3.01Å; E103-R116 IonicContact OE2-CZ 3.75Å; E103-R116 IonicContact OE2-NE 3.48Å; E103-R116 PolarHBondContact OE2-NE 2.79Å; E103-R116 IonicContact OE2-NH1 3.51Å
104L75.9Confident55.7Low0 Ų040 Ų400%020%0.203CC..BIsolated β-bridgetrans-66.6113.8166.4-179.565.1000110.8A95 R116 Q117 T119 H124 I127 I135 W151A95-L104 HydrophobicContact CB-CD1 3.3Å; L104-R116 CarbonylContact O-C 3.58Å; L104-Q117 HydrophobicContact CB-CB 4.1Å; L104-Q117 HydrophobicContact CD2-CB 3.94Å; L104-Q117 HydrophobicContact CD2-CG 4.23Å; L104-Q117 HydrophobicContact CG-CB 3.97Å; L104-Q117 HydrophobicContact CG-CG 4.09Å; L104-Q117 WeakPolarHBondContact O-CA 3.17Å; L104-Q117 VanDerWaalsContact O-CB 3.27Å; L104-Q117 WeakPolarHBondContact O-CB 3.36Å; L104-Q117 WeakPolarHBondContact O-CG 3.44Å; L104-Q117 PolarHBondContact O-N 2.84Å; L104-T119 HydrophobicContact CB-CG2 4.15Å; L104-T119 HydrophobicContact CD2-CG2 3.42Å; L104-T119 VanDerWaalsContact CD2-CG2 3.42Å; L104-T119 HydrophobicContact CG-CG2 4.4Å; L104-H124 PolarHBondContact N-ND1 3.1Å; L104-I127 HydrophobicContact CD1-CD1 3.91Å; L104-I127 HydrophobicContact CD1-CG2 4.42Å; L104-I135 HydrophobicContact CD1-CD1 4.5Å; L104-I135 HydrophobicContact CD2-CD1 4.04Å; L104-I135 HydrophobicContact CD2-CG2 4.33Å; L104-W151 HydrophobicContact CD2-CG 4.41Å
105N72.8Confident57.3Low6 Ų644.8 Ų44.83%0.03222%0.222CC..EExtended strand (participates in β ladder)trans-102.1163.2174.2-76.8-81000112.9H94 A95 F96 E103 Y115 R116H94-N105 CarbonylContact C-O 3.53Å; H94-N105 CarbonylContact O-C 3.47Å; A95-N105 WeakPolarHBondContact CA-O 3.46Å; F96-N105 PolarHBondContact O-N 3.06Å; E103-N105 PolarHBondContact O-N 3.36Å; E103-N105 PolarHBondContact O-ND2 3.12Å; N105-Y115 CarbonylContact C-O 3.55Å; N105-Y115 WeakPolarHBondContact CA-O 3.29Å; N105-R116 WeakPolarHBondContact OD1-CA 3.27Å; N105-R116 PolarHBondContact OD1-N 3.01Å
106I74.6Confident59.6Low13 Ų1350 Ų507%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-134.1116.7170.1-61.5-175.1000107.9I93 H94 C114 Y115 Q117 I135 V153I93-I106 HydrophobicContact CB-CG2 4.14Å; I93-I106 HydrophobicContact CD1-CD1 4.1Å; I93-I106 HydrophobicContact CD1-CG2 4.05Å; I93-I106 HydrophobicContact CG1-CG2 3.96Å; I93-I106 HydrophobicContact CG2-CB 3.77Å; I93-I106 HydrophobicContact CG2-CD1 3.8Å; I93-I106 HydrophobicContact CG2-CG1 3.37Å; I93-I106 HydrophobicContact CG2-CG2 3.52Å; H94-I106 WeakPolarHBondContact O-CA 3.28Å; H94-I106 PolarHBondContact O-N 3.48Å; I106-C114 CarbonylContact O-C 3.48Å; I106-C114 WeakPolarHBondContact O-CA 3.1Å; I106-Y115 PolarHBondContact N-O 3.17Å; I106-Y115 PolarHBondContact O-N 3.42Å; I106-Q117 HydrophobicContact CD1-CG 3.59Å; I106-Q117 HydrophobicContact CG1-CG 3.51Å; I106-I135 HydrophobicContact CD1-CD1 3.76Å; I106-I135 HydrophobicContact CG1-CD1 4.05Å; I106-V153 HydrophobicContact CD1-CB 4.27Å; I106-V153 HydrophobicContact CD1-CG1 3.57Å; I106-V153 HydrophobicContact CD1-CG2 3.78Å
107V72.1Confident61.7Low5 Ų550.6 Ų50.63%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-94.1125.8169.4173.70000110.7L65 Y77 H94 L113 C114L65-V107 HydrophobicContact CD2-CG2 4.37Å; Y77-V107 HydrophobicContact CD1-CG2 4.22Å; Y77-V107 HydrophobicContact CE1-CB 4.23Å; Y77-V107 HydrophobicContact CE1-CG1 3.39Å; Y77-V107 HydrophobicContact CE1-CG2 3.82Å; Y77-V107 HydrophobicContact CE2-CG1 4.12Å; Y77-V107 HydrophobicContact CE2-CG2 4.32Å; Y77-V107 WeakPolarHBondContact OH-CG1 3.03Å; H94-V107 HydrophobicContact CB-CB 3.54Å; H94-V107 HydrophobicContact CB-CG2 3.55Å; H94-V107 PolarHBondContact O-N 2.73Å; V107-L113 CarbonylContact C-O 3.03Å; V107-L113 WeakPolarHBondContact CA-O 3.28Å; V107-C114 HydrophobicContact CG2-CB 4.05Å
108N70.4Confident64.5Low65 Ų6557.5 Ų57.535%0.34828%0.275SS..  trans-83112.7168.6-177.4-27.1000110.6K110 S111 D112 L113 Y115N108-K110 PolarHBondContact O-N 2.73Å; N108-K110 WeakPolarHBondContact OD1-CB 3.45Å; N108-K110 PolarHBondContact OD1-N 2.98Å; N108-S111 WeakPolarHBondContact CB-OG 3.47Å; N108-S111 PolarHBondContact ND2-OG 3.09Å; N108-S111 PolarHBondContact O-N 2.85Å; N108-S111 PolarHBondContact OD1-N 2.77Å; N108-D112 VanDerWaalsContact O-CA 3.27Å; N108-D112 WeakPolarHBondContact O-CA 3.41Å; N108-D112 PolarHBondContact O-N 2.94Å; N108-L113 PolarHBondContact N-O 3.48Å; N108-Y115 HydrophobicContact CB-CE2 4.34Å
109R67.7Low67.3Low65 Ų6557.6 Ų57.625%0.24528%0.275CS..THydrogen-bonded Turntrans-61.9-21.7-179.2-61.6-176.1-67.2149.10.1115.1D50D50-R109 IonicContact OD2-CZ 3.32Å; D50-R109 IonicContact OD2-NH1 3.93Å; D50-R109 PolarHBondContact OD2-NH1 3.03Å; D50-R109 IonicContact OD2-NH2 2.89Å
110K69.5Low69.8Low205 Ų20557.9 Ų57.989%0.89129%0.288SS*.THydrogen-bonded Turntrans-88.7-39.2-178.2-68.5-174.5178.4-179.20112.5N108N108-K110 PolarHBondContact O-N 2.73Å; N108-K110 WeakPolarHBondContact OD1-CB 3.45Å; N108-K110 PolarHBondContact OD1-N 2.98Å
111S69.5Low72.2Confident54 Ų5457 Ų5738%0.37828%0.28SS..THydrogen-bonded Turntrans-98.6-7.9-178.463.30000113.2N108 L113N108-S111 WeakPolarHBondContact CB-OG 3.47Å; N108-S111 PolarHBondContact ND2-OG 3.09Å; N108-S111 PolarHBondContact O-N 2.85Å; N108-S111 PolarHBondContact OD1-N 2.77Å; S111-L113 PolarHBondContact O-N 3.23Å; S111-L113 VanDerWaalsContact O-N 3.08Å; S111-L113 WeakPolarHBondContact OG-CB 3.31Å; S111-L113 WeakPolarHBondContact OG-CG 3.42Å; S111-L113 PolarHBondContact OG-N 2.83Å
112D62.6Low74.2Confident66 Ų6656.3 Ų56.335%0.35328%0.276SS..  trans55.218.9-170.1-69.2-38.4000113.3K76 N108K76-D112 IonicContact NZ-OD1 3.04Å; K76-D112 PolarHBondContact NZ-OD1 2.72Å; K76-D112 IonicContact NZ-OD2 3.57Å; K76-D112 PolarHBondContact NZ-OD2 2.82Å; N108-D112 VanDerWaalsContact O-CA 3.27Å; N108-D112 WeakPolarHBondContact O-CA 3.41Å; N108-D112 PolarHBondContact O-N 2.94Å
113L68.2Low75.3Confident88 Ų8857.2 Ų57.246%0.46128%0.28SS..  trans-85.1134.3178.4-65.2171.9000110.4V107 N108 S111 Y115V107-L113 CarbonylContact C-O 3.03Å; V107-L113 WeakPolarHBondContact CA-O 3.28Å; N108-L113 PolarHBondContact N-O 3.48Å; S111-L113 PolarHBondContact O-N 3.23Å; S111-L113 VanDerWaalsContact O-N 3.08Å; S111-L113 WeakPolarHBondContact OG-CB 3.31Å; S111-L113 WeakPolarHBondContact OG-CG 3.42Å; S111-L113 PolarHBondContact OG-N 2.83Å; L113-Y115 HydrophobicContact CB-CD2 4.47Å; L113-Y115 HydrophobicContact CB-CE1 4.35Å; L113-Y115 HydrophobicContact CB-CE2 3.6Å; L113-Y115 WeakPolarHBondContact CB-OH 3.4Å; L113-Y115 WeakPolarHBondContact CD1-OH 3.35Å
114C69.2Low76.3Confident45 Ų4555.8 Ų55.830%0.30427%0.274SS..EExtended strand (participates in β ladder)trans-105.8134.5173.8-167.80000109.8Y77 I106 V107Y77-C114 HydrophobicContact CD1-CB 4.39Å; I106-C114 CarbonylContact O-C 3.48Å; I106-C114 WeakPolarHBondContact O-CA 3.1Å; V107-C114 HydrophobicContact CG2-CB 4.05Å
115Y72.4Confident76.7Confident108 Ų10856.1 Ų56.142%0.42428%0.276SS..EExtended strand (participates in β ladder)trans-129.2120-177.7-55-84000111.3N105 I106 N108 L113 Q117N105-Y115 CarbonylContact C-O 3.55Å; N105-Y115 WeakPolarHBondContact CA-O 3.29Å; I106-Y115 PolarHBondContact N-O 3.17Å; I106-Y115 PolarHBondContact O-N 3.42Å; N108-Y115 HydrophobicContact CB-CE2 4.34Å; L113-Y115 HydrophobicContact CB-CD2 4.47Å; L113-Y115 HydrophobicContact CB-CE1 4.35Å; L113-Y115 HydrophobicContact CB-CE2 3.6Å; L113-Y115 WeakPolarHBondContact CB-OH 3.4Å; L113-Y115 WeakPolarHBondContact CD1-OH 3.35Å; Y115-Q117 PolarHBondContact O-NE2 3.3Å
116R78.3Confident77.1Confident115 Ų11564.2 Ų64.243%0.43431%0.307SS..EExtended strand (participates in β ladder)trans-57.7141.2165.8-176.5-176.6-175.9165.7-0.6110.2E101 E103 L104 N105E101-R116 IonicContact OE2-CZ 3.55Å; E101-R116 IonicContact OE2-NH1 2.79Å; E101-R116 PolarHBondContact OE2-NH1 3.3Å; E101-R116 IonicContact OE2-NH2 3.94Å; E101-R116 PolarHBondContact OE2-NH2 2.76Å; E103-R116 HydrophobicContact CB-CG 4.07Å; E103-R116 HydrophobicContact CG-CG 4.33Å; E103-R116 IonicContact OE1-CZ 3.25Å; E103-R116 IonicContact OE1-NE 2.92Å; E103-R116 PolarHBondContact OE1-NE 2.99Å; E103-R116 IonicContact OE1-NH1 2.65Å; E103-R116 PolarHBondContact OE1-NH1 3.46Å; E103-R116 IonicContact OE1-NH2 3.86Å; E103-R116 PolarHBondContact OE1-NH2 3.49Å; E103-R116 WeakPolarHBondContact OE2-CD 3.48Å; E103-R116 VanDerWaalsContact OE2-CG 3.3Å; E103-R116 WeakPolarHBondContact OE2-CG 3.01Å; E103-R116 IonicContact OE2-CZ 3.75Å; E103-R116 IonicContact OE2-NE 3.48Å; E103-R116 PolarHBondContact OE2-NE 2.79Å; E103-R116 IonicContact OE2-NH1 3.51Å; L104-R116 CarbonylContact O-C 3.58Å; N105-R116 WeakPolarHBondContact OD1-CA 3.27Å; N105-R116 PolarHBondContact OD1-N 3.01Å
117Q81.2Confident77.4Confident29 Ų2963.9 Ų63.914%0.13631%0.306CS..  trans-116122.5176.5-54.5-60.2-61.800110.2L104 I106 Y115 T119 W151L104-Q117 HydrophobicContact CB-CB 4.1Å; L104-Q117 HydrophobicContact CD2-CB 3.94Å; L104-Q117 HydrophobicContact CD2-CG 4.23Å; L104-Q117 HydrophobicContact CG-CB 3.97Å; L104-Q117 HydrophobicContact CG-CG 4.09Å; L104-Q117 WeakPolarHBondContact O-CA 3.17Å; L104-Q117 VanDerWaalsContact O-CB 3.27Å; L104-Q117 WeakPolarHBondContact O-CB 3.36Å; L104-Q117 WeakPolarHBondContact O-CG 3.44Å; L104-Q117 PolarHBondContact O-N 2.84Å; I106-Q117 HydrophobicContact CD1-CG 3.59Å; I106-Q117 HydrophobicContact CG1-CG 3.51Å; Y115-Q117 PolarHBondContact O-NE2 3.3Å; Q117-T119 HydrophobicContact CB-CG2 4.41Å; Q117-T119 PolarHBondContact O-N 2.88Å; Q117-T119 VanDerWaalsContact O-N 3.1Å; Q117-W151 HydrophobicContact CB-CZ2 4.23Å
118E87.1Confident78Confident159 Ų15965.3 Ų65.374%0.74332%0.318SS*.  trans-85.777.9178.5-67.6-176.4-177.100111.3G120 W151E118-G120 PolarHBondContact O-N 2.97Å; E118-W151 WeakPolarHBondContact O-CH2 3.28Å; E118-W151 VanDerWaalsContact O-CZ3 3.31Å; E118-W151 WeakPolarHBondContact O-CZ3 3.29Å
119T88.8Confident78.6Confident5 Ų565.2 Ų65.23%0.03132%0.315CS..  trans-74.8-10179.867.40000114.1L104 Q117 Y121 H124 I149 W151 T158L104-T119 HydrophobicContact CB-CG2 4.15Å; L104-T119 HydrophobicContact CD2-CG2 3.42Å; L104-T119 VanDerWaalsContact CD2-CG2 3.42Å; L104-T119 HydrophobicContact CG-CG2 4.4Å; Q117-T119 HydrophobicContact CB-CG2 4.41Å; Q117-T119 PolarHBondContact O-N 2.88Å; Q117-T119 VanDerWaalsContact O-N 3.1Å; T119-Y121 VanDerWaalsContact C-N 3.27Å; T119-Y121 PolarHBondContact OG1-N 3.43Å; T119-Y121 PolarHBondContact OG1-O 3.38Å; T119-H124 PolarHBondContact OG1-CE1 3.11Å; T119-H124 PolarHBondContact OG1-NE2 2.87Å; T119-I149 HydrophobicContact CG2-CD1 4.32Å; T119-W151 HydrophobicContact CG2-CB 4.32Å; T119-W151 HydrophobicContact CG2-CD2 3.91Å; T119-W151 HydrophobicContact CG2-CE3 4.17Å; T119-W151 HydrophobicContact CG2-CG 4Å; T119-T158 VanDerWaalsContact C-OG1 3.31Å; T119-T158 WeakPolarHBondContact CA-OG1 3.44Å; T119-T158 WeakPolarHBondContact O-CB 3.44Å; T119-T158 PolarHBondContact O-OG1 3Å
120G88.7Confident79.4Confident42 Ų4262.8 Ų62.843%0.43331%0.31SS..SBendtrans7613.2-169.700000114.5E118 K144E118-G120 PolarHBondContact O-N 2.97Å; G120-K144 PolarHBondContact O-NZ 3.25Å
121Y88.7Confident80.1Confident21 Ų2162.8 Ų62.88%0.08231%0.314CS..  trans-128.8152.6171.9-69.9-92.3000109.3T119 H124 A139 D141 K144 A147 I149 T158T119-Y121 VanDerWaalsContact C-N 3.27Å; T119-Y121 PolarHBondContact OG1-N 3.43Å; T119-Y121 PolarHBondContact OG1-O 3.38Å; Y121-H124 PolarHBondContact O-CE1 2.93Å; Y121-A139 HydrophobicContact CD1-CB 3.89Å; Y121-A139 HydrophobicContact CD2-CB 4Å; Y121-A139 HydrophobicContact CE1-CB 4.48Å; Y121-A139 HydrophobicContact CG-CB 3.61Å; Y121-D141 HydrophobicContact CD1-CB 4.01Å; Y121-K144 HydrophobicContact CE1-CB 4.12Å; Y121-K144 HydrophobicContact CE1-CD 4.02Å; Y121-A147 HydrophobicContact CE1-CB 4.4Å; Y121-I149 HydrophobicContact CD2-CD1 4.11Å; Y121-I149 HydrophobicContact CD2-CG2 4.18Å; Y121-I149 HydrophobicContact CE2-CG2 3.66Å; Y121-T158 HydrophobicContact CE2-CG2 4.25Å
122F79.1Confident81.1Confident62 Ų6263.2 Ų63.227%0.27231%0.311SS..SBendtrans-84.4-57.8176.4-73.3-69.2000111E101 E102 H124 S140 D141E101-F122 WeakPolarHBondContact O-CD1 3.23Å; E102-F122 CarbonylContact C-O 3.53Å; E102-F122 HydrophobicContact CB-CB 4.36Å; E102-F122 WeakPolarHBondContact CB-O 3.4Å; F122-H124 PolarHBondContact O-CE1 3.31Å; F122-H124 PolarHBondContact O-ND1 3.22Å; F122-S140 PolarHBondContact N-O 3.12Å; F122-D141 HydrophobicContact CD2-CB 4.47Å; F122-D141 WeakPolarHBondContact CD2-OD1 3.41Å; F122-D141 VanDerWaalsContact CE2-OD1 3.27Å; F122-D141 WeakPolarHBondContact CE2-OD1 3.16Å
123E81.1Confident82.2Confident18 Ų1867 Ų678%0.08432%0.321CS..EExtended strand (participates in β ladder)trans-94.6142.8-172.9-163.4-179.7173.100112.6E102 A139 S140 S234E102-E123 HydrophobicContact CB-CB 4.28Å; E102-E123 WeakPolarHBondContact OE2-CB 3.3Å; E123-A139 CarbonylContact O-C 3.43Å; E123-A139 WeakPolarHBondContact O-CA 3.44Å; E123-S140 PolarHBondContact N-O 3.42Å; E123-S140 PolarHBondContact O-N 3.14Å; E123-S140 PolarHBondContact OE2-OG 3.13Å; E123-S234 PolarHBondContact OE2-OG 3.2Å
124H85.1Confident83.3Confident1 Ų162.9 Ų62.91%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-134.4123.4175.1-52.287.8000112D97 L104 T119 Y121 F122 I127D97-H124 PolarHBondContact OD2-N 3.45Å; L104-H124 PolarHBondContact N-ND1 3.1Å; T119-H124 PolarHBondContact OG1-CE1 3.11Å; T119-H124 PolarHBondContact OG1-NE2 2.87Å; Y121-H124 PolarHBondContact O-CE1 2.93Å; F122-H124 PolarHBondContact O-CE1 3.31Å; F122-H124 PolarHBondContact O-ND1 3.22Å; H124-I127 HydrophobicContact CB-CD1 3.79Å; H124-I127 HydrophobicContact CB-CG1 4.16Å
125S82.7Confident84.3Confident7 Ų760.8 Ų60.85%0.04929%0.285CS..EExtended strand (participates in β ladder)trans-128.3162.1178.663.20000112I127 C137 I138S125-I127 VanDerWaalsContact C-N 3.28Å; S125-I127 PolarHBondContact O-N 3.39Å; S125-C137 WeakPolarHBondContact O-CB 3.3Å; S125-I138 PolarHBondContact N-O 3.09Å; S125-I138 PolarHBondContact O-N 2.76Å; S125-I138 PolarHBondContact OG-O 3.11Å
126Y82.2Confident85.2Confident175 Ų17559.1 Ų59.169%0.68628%0.279SS*.EExtended strand (participates in β ladder)trans51.744.1-178.4-58.2-86.8000113.9A128 I138Y126-A128 PolarHBondContact O-N 3Å; Y126-I138 HydrophobicContact CD2-CB 4.49Å; Y126-I138 HydrophobicContact CD2-CD1 3.7Å; Y126-I138 HydrophobicContact CD2-CG1 4.29Å; Y126-I138 HydrophobicContact CE2-CD1 4.25Å; Y126-I138 HydrophobicContact CG-CD1 4.35Å
127I81.7Confident85.9Confident6 Ų653.9 Ų53.93%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-72.5127.8-170.5-47.6173.7000110.9H90 A95 L104 H124 S125 I135 Y136 C137H90-I127 WeakPolarHBondContact CB-O 3.35Å; H90-I127 PolarHBondContact CD2-O 3.38Å; A95-I127 HydrophobicContact CB-CB 4.03Å; A95-I127 HydrophobicContact CB-CD1 3.62Å; A95-I127 HydrophobicContact CB-CG1 4.39Å; A95-I127 HydrophobicContact CB-CG2 3.35Å; L104-I127 HydrophobicContact CD1-CD1 3.91Å; L104-I127 HydrophobicContact CD1-CG2 4.42Å; H124-I127 HydrophobicContact CB-CD1 3.79Å; H124-I127 HydrophobicContact CB-CG1 4.16Å; S125-I127 VanDerWaalsContact C-N 3.28Å; S125-I127 PolarHBondContact O-N 3.39Å; I127-I135 HydrophobicContact CG2-CG2 3.31Å; I127-Y136 CarbonylContact C-O 3.59Å; I127-Y136 WeakPolarHBondContact CA-O 2.96Å; I127-C137 HydrophobicContact CB-CB 4.28Å; I127-C137 HydrophobicContact CG1-CB 3.91Å; I127-C137 HydrophobicContact CG2-CB 4.26Å
128A84.6Confident86.3Confident36 Ų3654.6 Ų54.630%0.29826%0.264SS..EExtended strand (participates in β ladder)trans-131.2134.7-179.900000110.7Y126 I135 Y136Y126-A128 PolarHBondContact O-N 3Å; A128-I135 CarbonylContact O-C 3.16Å; A128-I135 WeakPolarHBondContact O-CA 3.27Å; A128-Y136 PolarHBondContact N-O 3.23Å; A128-Y136 PolarHBondContact O-N 2.82Å
129F82.3Confident86.5Confident62 Ų6247 Ų4727%0.27223%0.228SC..EExtended strand (participates in β ladder)trans-95.7125.1174.9-170.9-109.8000110.6S92 I93 R133 C134 I135 V153S92-F129 WeakPolarHBondContact OG-CD1 3.44Å; S92-F129 WeakPolarHBondContact OG-CE1 3.46Å; I93-F129 HydrophobicContact CB-CD2 4.13Å; I93-F129 HydrophobicContact CB-CE2 4.45Å; I93-F129 HydrophobicContact CB-CG 4.47Å; I93-F129 HydrophobicContact CD1-CD2 3.64Å; I93-F129 HydrophobicContact CD1-CE1 4.45Å; I93-F129 HydrophobicContact CD1-CE2 3.09Å; I93-F129 HydrophobicContact CD1-CZ 3.54Å; I93-F129 HydrophobicContact CG1-CD2 4.04Å; I93-F129 HydrophobicContact CG1-CE2 3.87Å; I93-F129 HydrophobicContact CG1-CG 4.5Å; I93-F129 HydrophobicContact CG1-CZ 4.1Å; F129-R133 HydrophobicContact CZ-CB 4.17Å; F129-R133 HydrophobicContact CZ-CG 4.35Å; F129-C134 WeakPolarHBondContact CD2-O 3.49Å; F129-I135 HydrophobicContact CD2-CG1 3.88Å; F129-I135 HydrophobicContact CE2-CG1 4.46Å; F129-V153 HydrophobicContact CE2-CG2 4.11Å
130G85.1Confident86.6Confident15 Ų1547.1 Ų47.116%0.15523%0.229CC..  trans-89.6155.4178.500000113D132 R133 C134G130-D132 PolarHBondContact O-N 3Å; G130-R133 PolarHBondContact O-N 3.33Å; G130-R133 VanDerWaalsContact O-N 3.07Å; G130-C134 PolarHBondContact N-O 2.87Å
131Q84.1Confident86.7Confident205 Ų20545.6 Ų45.696%0.95821%0.211SC*.THydrogen-bonded Turntrans-62.6-19.9174.6-67.1-178.8-10.800113R133Q131-R133 PolarHBondContact O-N 3.06Å
132D89.1Confident86.7Confident62 Ų6245 Ų4533%0.33221%0.21SC..THydrogen-bonded Turntrans-77.17174.868.7-28.1000113.5G130 C134 Y136 R150G130-D132 PolarHBondContact O-N 3Å; D132-C134 VanDerWaalsContact C-N 3.26Å; D132-C134 PolarHBondContact O-N 3.41Å; D132-C134 WeakPolarHBondContact OD1-CB 3.12Å; D132-C134 PolarHBondContact OD1-N 2.99Å; D132-C134 WeakPolarHBondContact OD2-CB 3.39Å; D132-C134 PolarHBondContact OD2-SG 3.46Å; D132-Y136 PolarHBondContact OD2-OH 2.89Å; D132-R150 IonicContact OD2-CZ 3.48Å; D132-R150 IonicContact OD2-NE 3.12Å; D132-R150 PolarHBondContact OD2-NE 3.4Å; D132-R150 IonicContact OD2-NH2 3.43Å; D132-R150 PolarHBondContact OD2-NH2 2.83Å
133R86.6Confident87.3Confident147 Ų14744.3 Ų44.356%0.55521%0.211SC*.SBendtrans62.431.7-175.1-58.6174.6-76.3-175.1-1.5113.1F129 G130 Q131 V153 L154F129-R133 HydrophobicContact CZ-CB 4.17Å; F129-R133 HydrophobicContact CZ-CG 4.35Å; G130-R133 PolarHBondContact O-N 3.33Å; G130-R133 VanDerWaalsContact O-N 3.07Å; Q131-R133 PolarHBondContact O-N 3.06Å; R133-V153 WeakPolarHBondContact O-CB 3.4Å; R133-V153 WeakPolarHBondContact O-CG2 3.45Å; R133-V153 PolarHBondContact O-N 2.85Å; R133-L154 VanDerWaalsContact CZ-CD1 3.43Å
134C91.1Very high87.9Confident0 Ų046.5 Ų46.50%022%0.22CC..EExtended strand (participates in β ladder)trans-112153.2173-61.80000111.2F129 G130 D132 Y136 R150 W151F129-C134 WeakPolarHBondContact CD2-O 3.49Å; G130-C134 PolarHBondContact N-O 2.87Å; D132-C134 VanDerWaalsContact C-N 3.26Å; D132-C134 PolarHBondContact O-N 3.41Å; D132-C134 WeakPolarHBondContact OD1-CB 3.12Å; D132-C134 PolarHBondContact OD1-N 2.99Å; D132-C134 WeakPolarHBondContact OD2-CB 3.39Å; D132-C134 PolarHBondContact OD2-SG 3.46Å; C134-Y136 HydrophobicContact CB-CE2 3.93Å; C134-R150 HydrophobicContact CB-CG 3.83Å; C134-R150 VanDerWaalsContact SG-CZ 3.52Å; C134-R150 PolarHBondContact SG-NH2 3.42Å; C134-W151 CarbonylContact C-O 3.53Å; C134-W151 VanDerWaalsContact CA-O 3.24Å; C134-W151 WeakPolarHBondContact CA-O 3.42Å; C134-W151 WeakPolarHBondContact CB-O 3.4Å
135I90Very high88.3Confident1 Ų147.4 Ų47.41%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-100.5129.6171.5-64.9171.3000108I93 L104 I106 I127 A128 F129 R150 W151 V153I93-I135 HydrophobicContact CG2-CD1 3.73Å; I93-I135 HydrophobicContact CG2-CG1 4.4Å; L104-I135 HydrophobicContact CD1-CD1 4.5Å; L104-I135 HydrophobicContact CD2-CD1 4.04Å; L104-I135 HydrophobicContact CD2-CG2 4.33Å; I106-I135 HydrophobicContact CD1-CD1 3.76Å; I106-I135 HydrophobicContact CG1-CD1 4.05Å; I127-I135 HydrophobicContact CG2-CG2 3.31Å; A128-I135 CarbonylContact O-C 3.16Å; A128-I135 WeakPolarHBondContact O-CA 3.27Å; F129-I135 HydrophobicContact CD2-CG1 3.88Å; F129-I135 HydrophobicContact CE2-CG1 4.46Å; I135-R150 CarbonylContact O-C 3.39Å; I135-R150 WeakPolarHBondContact O-CA 3.34Å; I135-W151 HydrophobicContact CB-CB 4.29Å; I135-W151 PolarHBondContact N-O 2.94Å; I135-W151 PolarHBondContact O-N 2.84Å; I135-V153 HydrophobicContact CD1-CG2 3.86Å; I135-V153 HydrophobicContact CG1-CG2 3.83Å
136Y92.8Very high88.8Confident74 Ų7451.3 Ų51.329%0.2924%0.242SC..EExtended strand (participates in β ladder)trans-109130.3173-62.8-96.6000108.2I127 A128 D132 C134 I149 R150 I161I127-Y136 CarbonylContact C-O 3.59Å; I127-Y136 WeakPolarHBondContact CA-O 2.96Å; A128-Y136 PolarHBondContact N-O 3.23Å; A128-Y136 PolarHBondContact O-N 2.82Å; D132-Y136 PolarHBondContact OD2-OH 2.89Å; C134-Y136 HydrophobicContact CB-CE2 3.93Å; Y136-I149 WeakPolarHBondContact CA-O 3.38Å; Y136-R150 HydrophobicContact CD1-CB 4.05Å; Y136-R150 HydrophobicContact CD1-CG 4.33Å; Y136-R150 HydrophobicContact CE1-CB 3.79Å; Y136-R150 HydrophobicContact CE1-CG 3.72Å; Y136-R150 WeakPolarHBondContact OH-CD 3.35Å; Y136-R150 PolarHBondContact OH-NE 2.86Å; Y136-I161 HydrophobicContact CD1-CD1 3.73Å; Y136-I161 HydrophobicContact CE1-CD1 3.83Å
137C91.2Very high89.4Confident5 Ų543.1 Ų43.13%0.03421%0.21CC..EExtended strand (participates in β ladder)trans-155.8163.5178.457.10000111S125 I127 V148 I149S125-C137 WeakPolarHBondContact O-CB 3.3Å; I127-C137 HydrophobicContact CB-CB 4.28Å; I127-C137 HydrophobicContact CG1-CB 3.91Å; I127-C137 HydrophobicContact CG2-CB 4.26Å; C137-V148 WeakPolarHBondContact O-CA 3.23Å; C137-I149 PolarHBondContact N-O 3.11Å; C137-I149 PolarHBondContact O-N 2.83Å; C137-I149 WeakPolarHBondContact SG-CG1 3.41Å
138I91.3Very high90.1Very high44 Ų4445.6 Ų45.623%0.22623%0.226CC..EExtended strand (participates in β ladder)trans-85.3116.5163.7-61.1-176.2000106.5S125 Y126 Q146 A147S125-I138 PolarHBondContact N-O 3.09Å; S125-I138 PolarHBondContact O-N 2.76Å; S125-I138 PolarHBondContact OG-O 3.11Å; Y126-I138 HydrophobicContact CD2-CB 4.49Å; Y126-I138 HydrophobicContact CD2-CD1 3.7Å; Y126-I138 HydrophobicContact CD2-CG1 4.29Å; Y126-I138 HydrophobicContact CE2-CD1 4.25Å; Y126-I138 HydrophobicContact CG-CD1 4.35Å; I138-Q146 HydrophobicContact CG2-CG 3.28Å; I138-A147 CarbonylContact C-O 3.56Å; I138-A147 WeakPolarHBondContact CA-O 3.27Å
139A91.4Very high90.6Very high0 Ų043.9 Ų43.90%021%0.212CC..EExtended strand (participates in β ladder)trans-114.8145.9-177.700000111.7Y121 E123 Q146 A147 I149Y121-A139 HydrophobicContact CD1-CB 3.89Å; Y121-A139 HydrophobicContact CD2-CB 4Å; Y121-A139 HydrophobicContact CE1-CB 4.48Å; Y121-A139 HydrophobicContact CG-CB 3.61Å; E123-A139 CarbonylContact O-C 3.43Å; E123-A139 WeakPolarHBondContact O-CA 3.44Å; A139-Q146 CarbonylContact O-C 3.51Å; A139-Q146 VanDerWaalsContact O-CA 3.3Å; A139-Q146 WeakPolarHBondContact O-CA 3.44Å; A139-A147 PolarHBondContact N-O 2.59Å; A139-A147 PolarHBondContact O-N 3.1Å; A139-I149 HydrophobicContact CB-CD1 3.53Å; A139-I149 HydrophobicContact CB-CG1 3.74Å; A139-I149 HydrophobicContact CB-CG2 4.05Å
140S89.5Confident91.2Very high6 Ų644.1 Ų44.14%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-144.6159.8177.440.70000112.1F122 E123 S234F122-S140 PolarHBondContact N-O 3.12Å; E123-S140 PolarHBondContact N-O 3.42Å; E123-S140 PolarHBondContact O-N 3.14Å; E123-S140 PolarHBondContact OE2-OG 3.13Å; S140-S234 WeakPolarHBondContact CB-OG 3.36Å; S140-S234 PolarHBondContact OG-OG 2.91Å
141D90.4Very high91.6Very high11 Ų1143.9 Ų43.96%0.05921%0.205CC..  trans-142.6161.3-172.9-172.289.5000108.9Y121 F122 T143 K144 L235Y121-D141 HydrophobicContact CD1-CB 4.01Å; F122-D141 HydrophobicContact CD2-CB 4.47Å; F122-D141 WeakPolarHBondContact CD2-OD1 3.41Å; F122-D141 VanDerWaalsContact CE2-OD1 3.27Å; F122-D141 WeakPolarHBondContact CE2-OD1 3.16Å; D141-T143 PolarHBondContact O-N 3Å; D141-T143 PolarHBondContact OD2-N 3.43Å; D141-T143 PolarHBondContact OD2-OG1 3.04Å; D141-K144 HydrophobicContact CB-CB 3.88Å; D141-K144 HydrophobicContact CB-CD 4.26Å; D141-K144 HydrophobicContact CB-CG 4.14Å; D141-L235 PolarHBondContact O-N 2.81Å
142A90.1Very high92Very high8 Ų835 Ų357%0.06616%0.164CC..SBendtrans-62.4-24175.100000113.1P176 R233A142-P176 HydrophobicContact CB-CG 4Å; A142-R233 WeakPolarHBondContact CA-O 3.14Å
143T92.1Very high91.8Very high47 Ų4734 Ų3429%0.28816%0.16SC..SBendtrans-118.3-4.8-17463.30000114.5D141 I173 V175D141-T143 PolarHBondContact O-N 3Å; D141-T143 PolarHBondContact OD2-N 3.43Å; D141-T143 PolarHBondContact OD2-OG1 3.04Å; T143-I173 HydrophobicContact CG2-CG2 4.29Å; T143-I173 VanDerWaalsContact O-CD1 3.22Å; T143-I173 WeakPolarHBondContact O-CD1 3.39Å; T143-V175 HydrophobicContact CG2-CG2 3.94Å
144K92.2Very high91.8Very high64 Ų6431.5 Ų31.528%0.27816%0.157SC..SBendtrans-124.5145.6-175.8-55.4173-169.8163.50111.6G120 Y121 D141 E167G120-K144 PolarHBondContact O-NZ 3.25Å; Y121-K144 HydrophobicContact CE1-CB 4.12Å; Y121-K144 HydrophobicContact CE1-CD 4.02Å; D141-K144 HydrophobicContact CB-CB 3.88Å; D141-K144 HydrophobicContact CB-CD 4.26Å; D141-K144 HydrophobicContact CB-CG 4.14Å; K144-E167 WeakPolarHBondContact CA-OE2 3.39Å; K144-E167 WeakPolarHBondContact CB-OE1 3.16Å
145F93.3Very high91.7Very high21 Ų2140.1 Ų40.19%0.09219%0.191CC..  trans-62.5150.4169.1-74.8-69.9000111.5A147 R163 H165 E166 E167 L168 L235 L237F145-A147 PolarHBondContact O-N 2.87Å; F145-R163 HydrophobicContact CB-CG 3.94Å; F145-H165 HydrophobicContact CD1-CB 4.27Å; F145-H165 HydrophobicContact CD2-CB 3.8Å; F145-H165 HydrophobicContact CE1-CB 4.34Å; F145-H165 HydrophobicContact CE2-CB 3.86Å; F145-H165 AromaticContact CE2-ND1 3.96Å; F145-H165 HydrophobicContact CG-CB 4Å; F145-H165 HydrophobicContact CZ-CB 4.14Å; F145-E166 VanDerWaalsContact CD2-O 3.29Å; F145-E166 WeakPolarHBondContact CD2-O 3.46Å; F145-E166 WeakPolarHBondContact CE2-O 3.46Å; F145-E167 PolarHBondContact N-OE2 2.81Å; F145-E167 VanDerWaalsContact N-OE2 3.09Å; F145-L168 HydrophobicContact CE2-CD1 4.43Å; F145-L168 HydrophobicContact CE2-CD2 4.11Å; F145-L168 HydrophobicContact CE2-CG 3.73Å; F145-L168 HydrophobicContact CZ-CD1 4.13Å; F145-L168 HydrophobicContact CZ-CD2 4.16Å; F145-L168 HydrophobicContact CZ-CG 3.87Å; F145-L235 HydrophobicContact CD1-CD2 4.02Å; F145-L235 HydrophobicContact CD2-CD2 4.42Å; F145-L235 HydrophobicContact CE1-CD2 3.99Å; F145-L235 HydrophobicContact CE2-CD2 4.4Å; F145-L235 HydrophobicContact CG-CD2 4.24Å; F145-L235 HydrophobicContact CZ-CD2 4.2Å; F145-L237 HydrophobicContact CE1-CD1 3.86Å; F145-L237 HydrophobicContact CE1-CD2 3.82Å; F145-L237 HydrophobicContact CE1-CG 4.01Å; F145-L237 HydrophobicContact CZ-CD1 4.18Å; F145-L237 HydrophobicContact CZ-CD2 3.88Å; F145-L237 HydrophobicContact CZ-CG 4.45Å
146Q93.1Very high91.7Very high88 Ų8842 Ų4241%0.41121%0.211SC..  trans-53.8137.5171.5-176.417582.300110.4I138 A139 V164I138-Q146 HydrophobicContact CG2-CG 3.28Å; A139-Q146 CarbonylContact O-C 3.51Å; A139-Q146 VanDerWaalsContact O-CA 3.3Å; A139-Q146 WeakPolarHBondContact O-CA 3.44Å; Q146-V164 HydrophobicContact CB-CG2 4.18Å; Q146-V164 WeakPolarHBondContact O-CG2 3.39Å; Q146-V164 PolarHBondContact O-N 3.31Å
147A95.5Very high91.7Very high3 Ų341.9 Ų41.93%0.02522%0.218CC..EExtended strand (participates in β ladder)trans-139.5150-178.900000111Y121 I138 A139 F145 I149 V160 E162 R163Y121-A147 HydrophobicContact CE1-CB 4.4Å; I138-A147 CarbonylContact C-O 3.56Å; I138-A147 WeakPolarHBondContact CA-O 3.27Å; A139-A147 PolarHBondContact N-O 2.59Å; A139-A147 PolarHBondContact O-N 3.1Å; F145-A147 PolarHBondContact O-N 2.87Å; A147-I149 HydrophobicContact CB-CG2 4.11Å; A147-V160 HydrophobicContact CB-CG1 4.01Å; A147-E162 CarbonylContact C-O 3.58Å; A147-E162 VanDerWaalsContact CA-O 3.23Å; A147-E162 WeakPolarHBondContact CA-O 3.37Å; A147-E162 WeakPolarHBondContact CB-O 3.46Å; A147-R163 HydrophobicContact CB-CB 4.3Å; A147-R163 HydrophobicContact CB-CG 4.31Å
148V96.6Very high91.9Very high59 Ų5943.6 Ų43.636%0.35823%0.228SC..EExtended strand (participates in β ladder)trans-82.3119.9161.6-178.80000107C137 I161 E162C137-V148 WeakPolarHBondContact O-CA 3.23Å; V148-I161 HydrophobicContact CB-CB 4.41Å; V148-I161 HydrophobicContact CG1-CB 4.28Å; V148-I161 HydrophobicContact CG1-CD1 4.09Å; V148-I161 WeakPolarHBondContact O-CB 3.33Å; V148-I161 PolarHBondContact O-N 2.64Å; V148-E162 PolarHBondContact N-O 2.82Å; V148-E162 PolarHBondContact O-N 3.32Å
149I95.5Very high92.1Very high0 Ų044.7 Ų44.70%023%0.234CC..EExtended strand (participates in β ladder)trans-115.4152.618068.8167.6000111.4T119 Y121 Y136 C137 A139 A147 T158 D159 V160T119-I149 HydrophobicContact CG2-CD1 4.32Å; Y121-I149 HydrophobicContact CD2-CD1 4.11Å; Y121-I149 HydrophobicContact CD2-CG2 4.18Å; Y121-I149 HydrophobicContact CE2-CG2 3.66Å; Y136-I149 WeakPolarHBondContact CA-O 3.38Å; C137-I149 PolarHBondContact N-O 3.11Å; C137-I149 PolarHBondContact O-N 2.83Å; C137-I149 WeakPolarHBondContact SG-CG1 3.41Å; A139-I149 HydrophobicContact CB-CD1 3.53Å; A139-I149 HydrophobicContact CB-CG1 3.74Å; A139-I149 HydrophobicContact CB-CG2 4.05Å; A147-I149 HydrophobicContact CB-CG2 4.11Å; I149-T158 HydrophobicContact CB-CG2 3.89Å; I149-T158 HydrophobicContact CD1-CG2 4.02Å; I149-T158 HydrophobicContact CG2-CG2 4.03Å; I149-D159 CarbonylContact C-O 3.5Å; I149-D159 WeakPolarHBondContact CA-O 3.27Å; I149-V160 HydrophobicContact CG2-CG2 4.34Å
150R95.1Very high92.3Very high67 Ų6747.5 Ų47.525%0.25325%0.251SS..EExtended strand (participates in β ladder)trans-114.4111.3165.9173.3-174.3179.6-107.73.5108.2D132 C134 I135 Y136 D159 I161D132-R150 IonicContact OD2-CZ 3.48Å; D132-R150 IonicContact OD2-NE 3.12Å; D132-R150 PolarHBondContact OD2-NE 3.4Å; D132-R150 IonicContact OD2-NH2 3.43Å; D132-R150 PolarHBondContact OD2-NH2 2.83Å; C134-R150 HydrophobicContact CB-CG 3.83Å; C134-R150 VanDerWaalsContact SG-CZ 3.52Å; C134-R150 PolarHBondContact SG-NH2 3.42Å; I135-R150 CarbonylContact O-C 3.39Å; I135-R150 WeakPolarHBondContact O-CA 3.34Å; Y136-R150 HydrophobicContact CD1-CB 4.05Å; Y136-R150 HydrophobicContact CD1-CG 4.33Å; Y136-R150 HydrophobicContact CE1-CB 3.79Å; Y136-R150 HydrophobicContact CE1-CG 3.72Å; Y136-R150 WeakPolarHBondContact OH-CD 3.35Å; Y136-R150 PolarHBondContact OH-NE 2.86Å; R150-D159 HydrophobicContact CB-CB 4.26Å; R150-D159 IonicContact CZ-OD2 2.73Å; R150-D159 PolarHBondContact N-O 3.17Å; R150-D159 IonicContact NH1-OD2 3.22Å; R150-D159 PolarHBondContact NH1-OD2 3.5Å; R150-D159 PolarHBondContact O-N 3.36Å; R150-I161 HydrophobicContact CB-CD1 3.9Å; R150-I161 HydrophobicContact CB-CG1 4.21Å
151W93.1Very high92.6Very high10 Ų1051.5 Ų51.54%0.03827%0.271CS..EExtended strand (participates in β ladder)trans-97.2119.2175.5176-112.3000110.6L104 Q117 E118 T119 C134 I135 V153 G156 V157 T158L104-W151 HydrophobicContact CD2-CG 4.41Å; Q117-W151 HydrophobicContact CB-CZ2 4.23Å; E118-W151 WeakPolarHBondContact O-CH2 3.28Å; E118-W151 VanDerWaalsContact O-CZ3 3.31Å; E118-W151 WeakPolarHBondContact O-CZ3 3.29Å; T119-W151 HydrophobicContact CG2-CB 4.32Å; T119-W151 HydrophobicContact CG2-CD2 3.91Å; T119-W151 HydrophobicContact CG2-CE3 4.17Å; T119-W151 HydrophobicContact CG2-CG 4Å; C134-W151 CarbonylContact C-O 3.53Å; C134-W151 VanDerWaalsContact CA-O 3.24Å; C134-W151 WeakPolarHBondContact CA-O 3.42Å; C134-W151 WeakPolarHBondContact CB-O 3.4Å; I135-W151 HydrophobicContact CB-CB 4.29Å; I135-W151 PolarHBondContact N-O 2.94Å; I135-W151 PolarHBondContact O-N 2.84Å; W151-V153 PolarHBondContact O-N 2.88Å; W151-G156 WeakPolarHBondContact CH2-O 3.35Å; W151-G156 VanDerWaalsContact CZ2-CA 3.4Å; W151-G156 WeakPolarHBondContact CZ3-O 3.31Å; W151-V157 VanDerWaalsContact CE3-O 3.29Å; W151-V157 VanDerWaalsContact CZ3-C 3.41Å; W151-T158 WeakPolarHBondContact CZ3-OG1 3.38Å
152N92Very high92.9Very high19 Ų1957.3 Ų57.310%0.10230%0.298CS..EExtended strand (participates in β ladder)trans-83.4111.6176.5-168.7-55.9000110.9L154 Y155 G156 V157N152-L154 VanDerWaalsContact C-N 3.26Å; N152-L154 PolarHBondContact O-N 2.79Å; N152-L154 WeakPolarHBondContact OD1-CB 3.48Å; N152-L154 PolarHBondContact OD1-N 2.88Å; N152-Y155 WeakPolarHBondContact ND2-CD2 3.04Å; N152-Y155 PolarHBondContact O-N 3.31Å; N152-Y155 WeakPolarHBondContact OD1-CD2 3.4Å; N152-Y155 PolarHBondContact OD1-N 2.8Å; N152-Y155 VanDerWaalsContact OD1-N 3.14Å; N152-G156 WeakPolarHBondContact O-CA 3.39Å; N152-G156 PolarHBondContact O-N 3.23Å; N152-V157 PolarHBondContact N-O 3.44Å
153V84.3Confident93.1Very high40 Ų4060.9 Ų60.924%0.24231%0.31CS..THydrogen-bonded Turntrans-66.2-27-175.4178.60000113.1I93 I106 F129 R133 I135 W151I93-V153 HydrophobicContact CD1-CB 4.41Å; I93-V153 HydrophobicContact CD1-CG1 3.94Å; I93-V153 HydrophobicContact CD1-CG2 3.88Å; I106-V153 HydrophobicContact CD1-CB 4.27Å; I106-V153 HydrophobicContact CD1-CG1 3.57Å; I106-V153 HydrophobicContact CD1-CG2 3.78Å; F129-V153 HydrophobicContact CE2-CG2 4.11Å; R133-V153 WeakPolarHBondContact O-CB 3.4Å; R133-V153 WeakPolarHBondContact O-CG2 3.45Å; R133-V153 PolarHBondContact O-N 2.85Å; I135-V153 HydrophobicContact CD1-CG2 3.86Å; I135-V153 HydrophobicContact CG1-CG2 3.83Å; W151-V153 PolarHBondContact O-N 2.88Å
154L86.5Confident93.1Very high95 Ų9563.7 Ų63.750%0.49733%0.327SS..THydrogen-bonded Turntrans-83.2-34.9-178.5-65.1175.8000113.1R133 N152R133-L154 VanDerWaalsContact CZ-CD1 3.43Å; N152-L154 VanDerWaalsContact C-N 3.26Å; N152-L154 PolarHBondContact O-N 2.79Å; N152-L154 WeakPolarHBondContact OD1-CB 3.48Å; N152-L154 PolarHBondContact OD1-N 2.88Å
155Y90Very high93.1Very high181 Ų18166 Ų6671%0.7134%0.338SS*.THydrogen-bonded Turntrans-104.7-14.1-173.6-59.2-58000113.5N152N152-Y155 WeakPolarHBondContact ND2-CD2 3.04Å; N152-Y155 PolarHBondContact O-N 3.31Å; N152-Y155 WeakPolarHBondContact OD1-CD2 3.4Å; N152-Y155 PolarHBondContact OD1-N 2.8Å; N152-Y155 VanDerWaalsContact OD1-N 3.14Å
156G90Very high93Very high41 Ų4172.8 Ų72.842%0.42337%0.37SS..THydrogen-bonded Turntrans63.844-175.500000112.2W151 N152W151-G156 WeakPolarHBondContact CH2-O 3.35Å; W151-G156 VanDerWaalsContact CZ2-CA 3.4Å; W151-G156 WeakPolarHBondContact CZ3-O 3.31Å; N152-G156 WeakPolarHBondContact O-CA 3.39Å; N152-G156 PolarHBondContact O-N 3.23Å
157V92.5Very high92.8Very high71 Ų7171.9 Ų71.943%0.4337%0.366SS..EExtended strand (participates in β ladder)trans-120.6132.1-177.8179.10000110.2W151 N152W151-V157 VanDerWaalsContact CE3-O 3.29Å; W151-V157 VanDerWaalsContact CZ3-C 3.41Å; N152-V157 PolarHBondContact N-O 3.44Å
158T95Very high92.6Very high40 Ų4074.9 Ų74.925%0.24538%0.381CS..EExtended strand (participates in β ladder)trans-96.8118173.2-55.70000110.2T119 Y121 I149 W151T119-T158 VanDerWaalsContact C-OG1 3.31Å; T119-T158 WeakPolarHBondContact CA-OG1 3.44Å; T119-T158 WeakPolarHBondContact O-CB 3.44Å; T119-T158 PolarHBondContact O-OG1 3Å; Y121-T158 HydrophobicContact CE2-CG2 4.25Å; I149-T158 HydrophobicContact CB-CG2 3.89Å; I149-T158 HydrophobicContact CD1-CG2 4.02Å; I149-T158 HydrophobicContact CG2-CG2 4.03Å; W151-T158 WeakPolarHBondContact CZ3-OG1 3.38Å
159D95.9Very high92.3Very high68 Ų6876.4 Ų76.436%0.36439%0.388SS..EExtended strand (participates in β ladder)trans-95.5125.3163-57.4-51.5000108.7I149 R150 I161I149-D159 CarbonylContact C-O 3.5Å; I149-D159 WeakPolarHBondContact CA-O 3.27Å; R150-D159 HydrophobicContact CB-CB 4.26Å; R150-D159 IonicContact CZ-OD2 2.73Å; R150-D159 PolarHBondContact N-O 3.17Å; R150-D159 IonicContact NH1-OD2 3.22Å; R150-D159 PolarHBondContact NH1-OD2 3.5Å; R150-D159 PolarHBondContact O-N 3.36Å; D159-I161 PolarHBondContact O-N 3.23Å
160V96Very high92.1Very high59 Ų5980 Ų8036%0.35842%0.417SS..EExtended strand (participates in β ladder)trans-83.1115.1169.7177.50000107.9A147 I149 R163A147-V160 HydrophobicContact CB-CG1 4.01Å; I149-V160 HydrophobicContact CG2-CG2 4.34Å; V160-R163 HydrophobicContact CG1-CB 4.37Å
161I96.4Very high92Very high89 Ų8980.3 Ų80.346%0.45643%0.426SS..EExtended strand (participates in β ladder)trans-77.5-51.5179-65.4171.1000109.8Y136 V148 R150 D159Y136-I161 HydrophobicContact CD1-CD1 3.73Å; Y136-I161 HydrophobicContact CE1-CD1 3.83Å; V148-I161 HydrophobicContact CB-CB 4.41Å; V148-I161 HydrophobicContact CG1-CB 4.28Å; V148-I161 HydrophobicContact CG1-CD1 4.09Å; V148-I161 WeakPolarHBondContact O-CB 3.33Å; V148-I161 PolarHBondContact O-N 2.64Å; R150-I161 HydrophobicContact CB-CD1 3.9Å; R150-I161 HydrophobicContact CB-CG1 4.21Å; D159-I161 PolarHBondContact O-N 3.23Å
162E96.5Very high92Very high134 Ų13483 Ų8363%0.62644%0.441SS*.EExtended strand (participates in β ladder)trans-151.2141.7-178.7-171.764.7-163.900109A147 V148A147-E162 CarbonylContact C-O 3.58Å; A147-E162 VanDerWaalsContact CA-O 3.23Å; A147-E162 WeakPolarHBondContact CA-O 3.37Å; A147-E162 WeakPolarHBondContact CB-O 3.46Å; V148-E162 PolarHBondContact N-O 2.82Å; V148-E162 PolarHBondContact O-N 3.32Å
163R94.3Very high92.2Very high82 Ų8282.5 Ų82.531%0.30944%0.438SS..EExtended strand (participates in β ladder)trans-120.6141.7176.4-171.9-173.3-74.198.2-3109.1F145 A147 V160 H165 E167F145-R163 HydrophobicContact CB-CG 3.94Å; A147-R163 HydrophobicContact CB-CB 4.3Å; A147-R163 HydrophobicContact CB-CG 4.31Å; V160-R163 HydrophobicContact CG1-CB 4.37Å; R163-H165 WeakPolarHBondContact CD-O 3.43Å; R163-H165 WeakPolarHBondContact CG-O 3.35Å; R163-H165 PolarHBondContact O-N 2.85Å; R163-E167 WeakPolarHBondContact CD-OE1 3.19Å; R163-E167 IonicContact CZ-OE1 3.15Å; R163-E167 IonicContact NE-OE1 3.44Å; R163-E167 PolarHBondContact NE-OE1 3.18Å; R163-E167 IonicContact NH2-OE1 2.67Å; R163-E167 PolarHBondContact NH2-OE1 3.4Å
164V92.2Very high92.7Very high106 Ų10680.7 Ų80.764%0.64243%0.427SS*.SBendtrans-58.9-34.7-179172.70000112.5Q146Q146-V164 HydrophobicContact CB-CG2 4.18Å; Q146-V164 WeakPolarHBondContact O-CG2 3.39Å; Q146-V164 PolarHBondContact O-N 3.31Å
165H91.4Very high93.1Very high112 Ų11280.3 Ų80.352%0.51943%0.429SS..SBendtrans-156.2160-178.5-162.2-81.5000111F145 R163F145-H165 HydrophobicContact CD1-CB 4.27Å; F145-H165 HydrophobicContact CD2-CB 3.8Å; F145-H165 HydrophobicContact CE1-CB 4.34Å; F145-H165 HydrophobicContact CE2-CB 3.86Å; F145-H165 AromaticContact CE2-ND1 3.96Å; F145-H165 HydrophobicContact CG-CB 4Å; F145-H165 HydrophobicContact CZ-CB 4.14Å; R163-H165 WeakPolarHBondContact CD-O 3.43Å; R163-H165 WeakPolarHBondContact CG-O 3.35Å; R163-H165 PolarHBondContact O-N 2.85Å
166E90.5Very high93.4Very high164 Ų16472.8 Ų72.877%0.76640%0.402SS*.PPolyproline II helixtrans-58143.1167.2-67.4-175.2171.800111.1F145F145-E166 VanDerWaalsContact CD2-O 3.29Å; F145-E166 WeakPolarHBondContact CD2-O 3.46Å; F145-E166 WeakPolarHBondContact CE2-O 3.46Å
167E90.2Very high93.6Very high70 Ų7074.8 Ų74.833%0.32740%0.401SS..PPolyproline II helixtrans-61.6142.6-178.2-60.3-66.8-17600111.6K144 F145 R163K144-E167 WeakPolarHBondContact CA-OE2 3.39Å; K144-E167 WeakPolarHBondContact CB-OE1 3.16Å; F145-E167 PolarHBondContact N-OE2 2.81Å; F145-E167 VanDerWaalsContact N-OE2 3.09Å; R163-E167 WeakPolarHBondContact CD-OE1 3.19Å; R163-E167 IonicContact CZ-OE1 3.15Å; R163-E167 IonicContact NE-OE1 3.44Å; R163-E167 PolarHBondContact NE-OE1 3.18Å; R163-E167 IonicContact NH2-OE1 2.67Å; R163-E167 PolarHBondContact NH2-OE1 3.4Å
168L89.7Confident93.6Very high65 Ų6574.8 Ų74.834%0.3440%0.398SS..PPolyproline II helixtrans-73.2157.8172.5-61.4178.9000110.4F145 A170 I173 L235 L237F145-L168 HydrophobicContact CE2-CD1 4.43Å; F145-L168 HydrophobicContact CE2-CD2 4.11Å; F145-L168 HydrophobicContact CE2-CG 3.73Å; F145-L168 HydrophobicContact CZ-CD1 4.13Å; F145-L168 HydrophobicContact CZ-CD2 4.16Å; F145-L168 HydrophobicContact CZ-CG 3.87Å; L168-A170 PolarHBondContact O-N 3.28Å; L168-A170 VanDerWaalsContact O-N 3.12Å; L168-I173 HydrophobicContact CB-CD1 4.14Å; L168-I173 HydrophobicContact CB-CG1 4.28Å; L168-L235 HydrophobicContact CD1-CD2 4.46Å; L168-L237 HydrophobicContact CD1-CD2 3.68Å
169D90.3Very high93.6Very high92 Ų9273.3 Ų73.349%0.49239%0.389SS..PPolyproline II helixtrans-57.5118.6165.2-176.5-17.4000109T171 L172D169-T171 PolarHBondContact O-N 2.92Å; D169-T171 WeakPolarHBondContact OD1-CB 3.3Å; D169-T171 WeakPolarHBondContact OD1-CG2 3.33Å; D169-T171 PolarHBondContact OD1-N 2.76Å; D169-T171 PolarHBondContact OD1-OG1 2.83Å; D169-T171 PolarHBondContact OD2-OG1 2.87Å; D169-T171 VanDerWaalsContact OD2-OG1 3.04Å; D169-L172 HydrophobicContact CB-CD1 4.19Å; D169-L172 HydrophobicContact CB-CG 4.5Å; D169-L172 WeakPolarHBondContact O-CB 3.42Å; D169-L172 PolarHBondContact O-N 2.74Å
170A91.8Very high93.6Very high74 Ų7472.5 Ų72.561%0.61239%0.391SS*.G310 helixtrans-58.1-23.6-179.300000112.7L168 L172 I173L168-A170 PolarHBondContact O-N 3.28Å; L168-A170 VanDerWaalsContact O-N 3.12Å; A170-L172 PolarHBondContact O-N 2.95Å; A170-I173 PolarHBondContact O-N 3.33Å
171T92.9Very high93.7Very high74 Ų7469.9 Ų69.945%0.45438%0.375SS..G310 helixtrans-73-11.9176.469.60000113.7D169 V205D169-T171 PolarHBondContact O-N 2.92Å; D169-T171 WeakPolarHBondContact OD1-CB 3.3Å; D169-T171 WeakPolarHBondContact OD1-CG2 3.33Å; D169-T171 PolarHBondContact OD1-N 2.76Å; D169-T171 PolarHBondContact OD1-OG1 2.83Å; D169-T171 PolarHBondContact OD2-OG1 2.87Å; D169-T171 VanDerWaalsContact OD2-OG1 3.04Å; T171-V205 WeakPolarHBondContact O-CG1 3.35Å
172L93Very high93.6Very high66 Ų6669.6 Ų69.635%0.34638%0.379SS..G310 helixtrans-95.8-8.7172.7-74.9168.3000113.3D169 A170 P207D169-L172 HydrophobicContact CB-CD1 4.19Å; D169-L172 HydrophobicContact CB-CG 4.5Å; D169-L172 WeakPolarHBondContact O-CB 3.42Å; D169-L172 PolarHBondContact O-N 2.74Å; A170-L172 PolarHBondContact O-N 2.95Å; L172-P207 VanDerWaalsContact CD2-CD 3.4Å; L172-P207 HydrophobicContact CD2-CG 4.06Å; L172-P207 HydrophobicContact CG-CG 4.31Å
173I96Very high93.6Very high9 Ų964.2 Ų64.25%0.04636%0.356CS..  trans-93120-175.3-55.3178.8000109.4T143 L168 A170 L235T143-I173 HydrophobicContact CG2-CG2 4.29Å; T143-I173 VanDerWaalsContact O-CD1 3.22Å; T143-I173 WeakPolarHBondContact O-CD1 3.39Å; L168-I173 HydrophobicContact CB-CD1 4.14Å; L168-I173 HydrophobicContact CB-CG1 4.28Å; A170-I173 PolarHBondContact O-N 3.33Å; I173-L235 HydrophobicContact CD1-CD1 4.37Å; I173-L235 HydrophobicContact CG2-CD1 4Å
174S96.6Very high93.6Very high2 Ų264 Ų641%0.01437%0.371CS..  trans-79.7115.6164.7-171.10000109.6Y202 N203 Q240S174-Y202 WeakPolarHBondContact O-CD1 3.36Å; S174-N203 VanDerWaalsContact CB-O 3.24Å; S174-N203 WeakPolarHBondContact CB-O 3.38Å; S174-N203 PolarHBondContact OG-N 3.12Å; S174-N203 PolarHBondContact OG-O 3.02Å; S174-Q240 PolarHBondContact O-NE2 3.24Å
175V94.9Very high93.6Very high88 Ų8862.4 Ų62.453%0.53336%0.359SS..PPolyproline II helixtrans-81.6133.6178.5-178.70000109.2T143 E177T143-V175 HydrophobicContact CG2-CG2 3.94Å; V175-E177 PolarHBondContact O-N 3.06Å
176P94.9Very high93.1Very high23 Ų2360.2 Ų60.215%0.14936%0.356CS..PPolyproline II helixtrans-65.3131.5178.621.8-28.6000112.6A142 Y200 Y202A142-P176 HydrophobicContact CB-CG 4Å; P176-Y200 HydrophobicContact CB-CD1 3.91Å; P176-Y200 HydrophobicContact CB-CG 4.22Å; P176-Y202 HydrophobicContact CB-CD1 4.19Å; P176-Y202 HydrophobicContact CB-CE1 3.56Å; P176-Y202 HydrophobicContact CB-CE2 4.23Å; P176-Y202 HydrophobicContact CG-CE1 3.95Å
177E94.4Very high92.5Very high82 Ų8259 Ų5938%0.38335%0.35SS..EExtended strand (participates in β ladder)trans-96.4119.4163.7-177.4-170.9163.700108.2V175 I179 Y200 F201 K292V175-E177 PolarHBondContact O-N 3.06Å; E177-I179 HydrophobicContact CG-CG2 4.09Å; E177-I179 PolarHBondContact O-N 3.06Å; E177-Y200 WeakPolarHBondContact O-CA 3.43Å; E177-F201 HydrophobicContact CB-CB 4.5Å; E177-F201 PolarHBondContact N-O 2.98Å; E177-F201 PolarHBondContact O-N 3.27Å; E177-K292 IonicContact OE1-NZ 3.79Å; E177-K292 PolarHBondContact OE1-NZ 3.29Å; E177-K292 IonicContact OE2-NZ 3.99Å; E177-K292 PolarHBondContact OE2-NZ 2.87Å
178L92.8Very high91.3Very high71 Ų7158.1 Ų58.137%0.37235%0.352SS..EExtended strand (participates in β ladder)trans-68.5122169.9178.668.5000108.7V100 Y200V100-L178 HydrophobicContact CG1-CD2 3.57Å; L178-Y200 HydrophobicContact CB-CD1 4.3Å; L178-Y200 HydrophobicContact CB-CE1 4.09Å; L178-Y200 HydrophobicContact CD1-CD1 4.2Å; L178-Y200 HydrophobicContact CD1-CE1 3.7Å; L178-Y200 HydrophobicContact CG-CE1 4.46Å
179I95.8Very high90.4Very high10 Ų1061.7 Ų61.75%0.05137%0.367CS..EExtended strand (participates in β ladder)trans-116.5156.1175.567.5162.2000110.7E177 F181 G199 F201 L250 L287E177-I179 HydrophobicContact CG-CG2 4.09Å; E177-I179 PolarHBondContact O-N 3.06Å; I179-F181 HydrophobicContact CD1-CD1 3.95Å; I179-F181 HydrophobicContact CD1-CE1 4.14Å; I179-F181 HydrophobicContact CG1-CD1 4.21Å; I179-F181 HydrophobicContact CG1-CE1 4.35Å; I179-G199 WeakPolarHBondContact CG1-O 3.45Å; I179-G199 PolarHBondContact N-O 3.42Å; I179-G199 PolarHBondContact O-N 3.46Å; I179-G199 VanDerWaalsContact O-N 3.14Å; I179-F201 HydrophobicContact CD1-CB 4.21Å; I179-F201 HydrophobicContact CG1-CB 4.36Å; I179-F201 HydrophobicContact CG2-CB 3.81Å; I179-L250 HydrophobicContact CD1-CD1 3.58Å; I179-L250 HydrophobicContact CG1-CD1 4.09Å; I179-L287 HydrophobicContact CD1-CD1 4.42Å; I179-L287 HydrophobicContact CD1-CD2 3.97Å; I179-L287 HydrophobicContact CD1-CG 4.29Å
180A95.3Very high89.2Confident50 Ų5059.7 Ų59.741%0.41335%0.354SS..EExtended strand (participates in β ladder)trans-132.1134.4177.800000109.1T196 I197 Y198A180-T196 HydrophobicContact CB-CG2 3.59Å; A180-I197 CarbonylContact C-O 3.56Å; A180-I197 VanDerWaalsContact CA-O 3.28Å; A180-I197 WeakPolarHBondContact CA-O 3.15Å; A180-Y198 HydrophobicContact CB-CD1 4.28Å; A180-Y198 HydrophobicContact CB-CE1 4.29Å
181F96.9Very high88.3Confident4 Ų462 Ų622%0.01836%0.356CS..EExtended strand (participates in β ladder)trans-148.8154.3-176.555.3-89.3000112I179 I197 V252 D279 G283 Y286I179-F181 HydrophobicContact CD1-CD1 3.95Å; I179-F181 HydrophobicContact CD1-CE1 4.14Å; I179-F181 HydrophobicContact CG1-CD1 4.21Å; I179-F181 HydrophobicContact CG1-CE1 4.35Å; F181-I197 HydrophobicContact CD2-CB 3.9Å; F181-I197 HydrophobicContact CD2-CD1 3.84Å; F181-I197 HydrophobicContact CD2-CG1 4.5Å; F181-I197 HydrophobicContact CD2-CG2 4.34Å; F181-I197 HydrophobicContact CE1-CB 4.4Å; F181-I197 HydrophobicContact CE1-CG2 4.13Å; F181-I197 HydrophobicContact CE2-CB 3.55Å; F181-I197 HydrophobicContact CE2-CD1 3.55Å; F181-I197 HydrophobicContact CE2-CG1 4.21Å; F181-I197 HydrophobicContact CE2-CG2 3.5Å; F181-I197 HydrophobicContact CG-CB 4.46Å; F181-I197 HydrophobicContact CZ-CB 3.83Å; F181-I197 HydrophobicContact CZ-CG2 3.37Å; F181-I197 PolarHBondContact N-O 2.98Å; F181-I197 WeakPolarHBondContact O-CB 3.38Å; F181-I197 PolarHBondContact O-N 3.05Å; F181-V252 HydrophobicContact CZ-CG1 4.24Å; F181-D279 WeakPolarHBondContact CE2-O 3.07Å; F181-G283 VanDerWaalsContact CZ-CA 3.49Å; F181-Y286 HydrophobicContact CB-CD1 3.62Å; F181-Y286 HydrophobicContact CB-CD2 3.99Å; F181-Y286 HydrophobicContact CB-CE1 4.02Å; F181-Y286 HydrophobicContact CB-CE2 4.37Å; F181-Y286 HydrophobicContact CB-CG 3.61Å; F181-Y286 HydrophobicContact CD1-CD1 4.47Å; F181-Y286 HydrophobicContact CG-CD1 4.25Å; F181-Y286 HydrophobicContact CG-CG 4.39Å
182P95.7Very high87.4Confident84 Ų8460.8 Ų60.855%0.54536%0.358SS..  trans-78.4147.7-178.631.1-34.7000112.3
183P95.9Very high86.6Confident21 Ų2163.9 Ų63.914%0.13637%0.371CS..  trans-69.1155.3167.329.5-33.9000111.2I195 I197P183-I195 WeakPolarHBondContact CD-O 3.19Å; P183-I195 HydrophobicContact CG-CB 4.49Å; P183-I197 VanDerWaalsContact CA-CD1 3.46Å; P183-I197 HydrophobicContact CB-CD1 3.72Å; P183-I197 HydrophobicContact CB-CG1 4.32Å
184A94.5Very high86Confident76 Ų7667.9 Ų67.963%0.62840%0.398SS*.SBendtrans-82.9-32170.200000111D278 S282A184-D278 PolarHBondContact N-OD2 2.66Å; A184-S282 WeakPolarHBondContact CB-OG 3.49Å; A184-S282 PolarHBondContact N-OG 3.27Å
185L91.6Very high85.7Confident74 Ų7468 Ų6839%0.38740%0.399SS..  trans-107111.2174.4-64.7175000110.1R255 V274 D278L185-R255 PolarHBondContact O-NH1 3.24Å; L185-R255 PolarHBondContact O-NH2 2.63Å; L185-R255 VanDerWaalsContact O-NH2 3.09Å; L185-V274 HydrophobicContact CD1-CG1 4.3Å; L185-D278 HydrophobicContact CB-CB 4.45Å; L185-D278 WeakPolarHBondContact CB-OD2 3.4Å; L185-D278 HydrophobicContact CD1-CB 4.18Å; L185-D278 WeakPolarHBondContact CD1-OD1 3.36Å; L185-D278 VanDerWaalsContact CG-OD1 3.31Å; L185-D278 WeakPolarHBondContact CG-OD1 3.47Å; L185-D278 PolarHBondContact N-OD2 2.86Å
186S82.6Confident85.6Confident66 Ų6666.2 Ų66.246%0.46239%0.387SS..  trans-127.8109.7171.1-156.40000110.2S188S186-S188 PolarHBondContact OG-O 3.48Å
187E76.3Confident85.6Confident138 Ų13865.1 Ų65.165%0.64538%0.38SS*.SBendtrans-92.5-10.7173.6-64.2176.8-157.900112.4K271E187-K271 IonicContact OE1-NZ 3.2Å; E187-K271 PolarHBondContact OE1-NZ 3.03Å; E187-K271 IonicContact OE2-NZ 2.79Å; E187-K271 PolarHBondContact OE2-NZ 3.43Å
188S65.7Low85.6Confident51 Ų5164.7 Ų64.736%0.35738%0.376SS..  trans-143.2158-174.254.80000111.6S186 I195S186-S188 PolarHBondContact OG-O 3.48Å; S188-I195 WeakPolarHBondContact O-CD1 3.45Å
189E70.4Confident85.7Confident140 Ų14061.3 Ų61.365%0.65436%0.358SS*.  trans-103.1149.6165.7-67.6176.1179.700108.7
190E66.4Low85.7Confident50 Ų5061 Ų6123%0.23436%0.356CS..BIsolated β-bridgetrans-100.2115.7171-174.1171-167.100108.4G192 Q193 I195 K263E190-G192 PolarHBondContact O-N 3.03Å; E190-Q193 PolarHBondContact N-O 3.31Å; E190-Q193 PolarHBondContact O-N 3.43Å; E190-I195 HydrophobicContact CB-CG1 4.23Å; E190-K263 HydrophobicContact CG-CD 4.49Å; E190-K263 WeakPolarHBondContact OE1-CB 3.31Å
191D71Confident85.9Confident123 Ų12358.6 Ų58.666%0.65834%0.337SS*.THydrogen-bonded Turntrans51.732.6-179.7-61.5-29.5000114.3Q193 K263D191-Q193 VanDerWaalsContact C-N 3.3Å; D191-K263 IonicContact OD1-NZ 2.84Å; D191-K263 PolarHBondContact OD1-NZ 3.3Å; D191-K263 IonicContact OD2-NZ 3.84Å; D191-K263 PolarHBondContact OD2-NZ 2.81Å
192G75.2Confident85.9Confident48 Ų4858.6 Ų58.650%0.49534%0.337SS..THydrogen-bonded Turntrans77.111.3-178.200000114.5E190E190-G192 PolarHBondContact O-N 3.03Å
193Q76.4Confident86Confident131 Ų13158.2 Ų58.261%0.61233%0.33SS*.BIsolated β-bridgetrans-108.4150.1172.3-64.5-60.1-4300111.1E190 D191 I195E190-Q193 PolarHBondContact N-O 3.31Å; E190-Q193 PolarHBondContact O-N 3.43Å; D191-Q193 VanDerWaalsContact C-N 3.3Å; Q193-I195 PolarHBondContact O-N 2.86Å
194P83.3Confident86Confident94 Ų9459.3 Ų59.361%0.6134%0.337SS*.  trans-57.2133.8169.3-21.632.8000110.8T196P194-T196 PolarHBondContact O-N 3.41Å
195I90Very high86.1Confident5 Ų557.8 Ų57.83%0.02632%0.32CS..  trans-63.2134.4175.4-61174000108.9P183 S188 E190 Q193 R255 L267P183-I195 WeakPolarHBondContact CD-O 3.19Å; P183-I195 HydrophobicContact CG-CB 4.49Å; S188-I195 WeakPolarHBondContact O-CD1 3.45Å; E190-I195 HydrophobicContact CB-CG1 4.23Å; Q193-I195 PolarHBondContact O-N 2.86Å; I195-R255 HydrophobicContact CG2-CG 4.2Å; I195-L267 HydrophobicContact CD1-CD1 4.23Å; I195-L267 HydrophobicContact CD1-CD2 4.16Å; I195-L267 HydrophobicContact CG2-CD1 4.08Å
196T92.8Very high86.2Confident49 Ų4956.3 Ų56.330%0.30131%0.312SS..  trans-114.3136.4177.4-62.40000109.3A180 P194 Y198 Y264A180-T196 HydrophobicContact CB-CG2 3.59Å; P194-T196 PolarHBondContact O-N 3.41Å; T196-Y198 HydrophobicContact CG2-CE1 4.02Å; T196-Y198 HydrophobicContact CG2-CE2 4.47Å; T196-Y198 WeakPolarHBondContact O-CE2 3.38Å; T196-Y264 WeakPolarHBondContact O-CE2 3.48Å
197I95.1Very high86.7Confident0 Ų056.7 Ų56.70%031%0.313CS..EExtended strand (participates in β ladder)trans-97.8147.2173.6-53.7156.4000108.6A180 F181 P183 V252 D279A180-I197 CarbonylContact C-O 3.56Å; A180-I197 VanDerWaalsContact CA-O 3.28Å; A180-I197 WeakPolarHBondContact CA-O 3.15Å; F181-I197 HydrophobicContact CD2-CB 3.9Å; F181-I197 HydrophobicContact CD2-CD1 3.84Å; F181-I197 HydrophobicContact CD2-CG1 4.5Å; F181-I197 HydrophobicContact CD2-CG2 4.34Å; F181-I197 HydrophobicContact CE1-CB 4.4Å; F181-I197 HydrophobicContact CE1-CG2 4.13Å; F181-I197 HydrophobicContact CE2-CB 3.55Å; F181-I197 HydrophobicContact CE2-CD1 3.55Å; F181-I197 HydrophobicContact CE2-CG1 4.21Å; F181-I197 HydrophobicContact CE2-CG2 3.5Å; F181-I197 HydrophobicContact CG-CB 4.46Å; F181-I197 HydrophobicContact CZ-CB 3.83Å; F181-I197 HydrophobicContact CZ-CG2 3.37Å; F181-I197 PolarHBondContact N-O 2.98Å; F181-I197 WeakPolarHBondContact O-CB 3.38Å; F181-I197 PolarHBondContact O-N 3.05Å; P183-I197 VanDerWaalsContact CA-CD1 3.46Å; P183-I197 HydrophobicContact CB-CD1 3.72Å; P183-I197 HydrophobicContact CB-CG1 4.32Å; I197-V252 HydrophobicContact CG2-CG1 4.25Å; I197-D279 HydrophobicContact CD1-CB 3.72Å; I197-D279 VanDerWaalsContact CD1-CG 3.43Å; I197-D279 WeakPolarHBondContact CD1-OD1 3.49Å; I197-D279 HydrophobicContact CG1-CB 4.2Å; I197-D279 HydrophobicContact CG2-CB 3.98Å
198Y94.6Very high87.4Confident73 Ų7357.2 Ų57.229%0.28632%0.319SS..EExtended strand (participates in β ladder)trans-116.2154.4-178.9-58-82000111.6A180 T196 D253 Y260 Y264A180-Y198 HydrophobicContact CB-CD1 4.28Å; A180-Y198 HydrophobicContact CB-CE1 4.29Å; T196-Y198 HydrophobicContact CG2-CE1 4.02Å; T196-Y198 HydrophobicContact CG2-CE2 4.47Å; T196-Y198 WeakPolarHBondContact O-CE2 3.38Å; Y198-D253 CarbonylContact O-C 3.2Å; Y198-D253 PolarHBondContact O-N 2.86Å; Y198-D253 VanDerWaalsContact O-O 3.11Å; Y198-Y260 VanDerWaalsContact CB-CE1 3.46Å; Y198-Y260 HydrophobicContact CD1-CD1 4.45Å; Y198-Y260 AromaticContact CD1-CE1 3.99Å; Y198-Y260 HydrophobicContact CD1-CE1 3.99Å; Y198-Y260 AromaticContact CD2-CD1 3.31Å; Y198-Y260 HydrophobicContact CD2-CD1 3.31Å; Y198-Y260 AromaticContact CD2-CE1 3.41Å; Y198-Y260 HydrophobicContact CD2-CE1 3.41Å; Y198-Y260 VanDerWaalsContact CD2-CE1 3.41Å; Y198-Y260 AromaticContact CD2-CG 3.97Å; Y198-Y260 HydrophobicContact CD2-CG 3.97Å; Y198-Y260 AromaticContact CE2-CD1 3.67Å; Y198-Y260 HydrophobicContact CE2-CD1 3.67Å; Y198-Y260 HydrophobicContact CE2-CE1 4.13Å; Y198-Y260 HydrophobicContact CE2-CG 4.36Å; Y198-Y260 AromaticContact CG-CD1 3.76Å; Y198-Y260 HydrophobicContact CG-CD1 3.76Å; Y198-Y260 AromaticContact CG-CE1 3.32Å; Y198-Y260 HydrophobicContact CG-CE1 3.32Å; Y198-Y260 AromaticContact CG-CZ 3.98Å; Y198-Y264 HydrophobicContact CD2-CE2 4.2Å; Y198-Y264 HydrophobicContact CE2-CE2 4.25Å
199G95Very high88.6Confident0 Ų062.2 Ų62.20%033%0.332CS..EExtended strand (participates in β ladder)trans-170.6166.6171.300000111.8I179 N251I179-G199 WeakPolarHBondContact CG1-O 3.45Å; I179-G199 PolarHBondContact N-O 3.42Å; I179-G199 PolarHBondContact O-N 3.46Å; I179-G199 VanDerWaalsContact O-N 3.14Å; G199-N251 CarbonylContact C-O 3.58Å; G199-N251 WeakPolarHBondContact CA-O 3.45Å
200Y95.9Very high89.5Confident4 Ų464.8 Ų64.82%0.01634%0.341CS..EExtended strand (participates in β ladder)trans-104.8118175.6-61.6-76.7000110P176 E177 L178 Y202 C231 R233 N251P176-Y200 HydrophobicContact CB-CD1 3.91Å; P176-Y200 HydrophobicContact CB-CG 4.22Å; E177-Y200 WeakPolarHBondContact O-CA 3.43Å; L178-Y200 HydrophobicContact CB-CD1 4.3Å; L178-Y200 HydrophobicContact CB-CE1 4.09Å; L178-Y200 HydrophobicContact CD1-CD1 4.2Å; L178-Y200 HydrophobicContact CD1-CE1 3.7Å; L178-Y200 HydrophobicContact CG-CE1 4.46Å; Y200-Y202 WeakPolarHBondContact O-CD2 3.41Å; Y200-Y202 WeakPolarHBondContact O-CE2 3.44Å; Y200-C231 WeakPolarHBondContact CD2-SG 3.28Å; Y200-C231 VanDerWaalsContact CE2-SG 3.58Å; Y200-R233 HydrophobicContact CE1-CG 3.78Å; Y200-R233 VanDerWaalsContact CE1-NH1 3.34Å; Y200-R233 HydrophobicContact CE2-CG 3.89Å; Y200-R233 VanDerWaalsContact CZ-CG 3.43Å; Y200-R233 WeakPolarHBondContact OH-CD 3.42Å; Y200-R233 WeakPolarHBondContact OH-CG 3.3Å; Y200-R233 PolarHBondContact OH-NH1 2.79Å; Y200-N251 PolarHBondContact N-O 3.14Å; Y200-N251 PolarHBondContact O-N 3.15Å
201F97.9Very high90.4Very high0 Ų067.6 Ų67.60%036%0.363CS..EExtended strand (participates in β ladder)trans-93.6132174.9-178.1-113.5000110.6E177 I179 N203 L219 A248 V249 L287 K292 V293E177-F201 HydrophobicContact CB-CB 4.5Å; E177-F201 PolarHBondContact N-O 2.98Å; E177-F201 PolarHBondContact O-N 3.27Å; I179-F201 HydrophobicContact CD1-CB 4.21Å; I179-F201 HydrophobicContact CG1-CB 4.36Å; I179-F201 HydrophobicContact CG2-CB 3.81Å; F201-N203 WeakPolarHBondContact CE1-OD1 3.5Å; F201-L219 HydrophobicContact CE2-CD1 4.44Å; F201-A248 HydrophobicContact CE2-CB 3.8Å; F201-A248 HydrophobicContact CZ-CB 4.03Å; F201-V249 CarbonylContact C-O 3.47Å; F201-V249 WeakPolarHBondContact CA-O 3.1Å; F201-L287 HydrophobicContact CD2-CD1 3.51Å; F201-L287 HydrophobicContact CD2-CD2 3.9Å; F201-L287 HydrophobicContact CD2-CG 4.38Å; F201-L287 HydrophobicContact CE2-CD1 3.71Å; F201-L287 HydrophobicContact CE2-CD2 4.05Å; F201-L287 HydrophobicContact CE2-CG 4.48Å; F201-L287 HydrophobicContact CG-CD1 4.49Å; F201-L287 HydrophobicContact CG-CD2 4.23Å; F201-K292 HydrophobicContact CD1-CD 4.41Å; F201-K292 HydrophobicContact CE1-CD 3.95Å; F201-K292 HydrophobicContact CZ-CB 4.18Å; F201-K292 HydrophobicContact CZ-CD 4.29Å; F201-V293 HydrophobicContact CE2-CG1 4.18Å; F201-V293 HydrophobicContact CZ-CG1 4.41Å
202Y98.3Very high91.1Very high4 Ų468.5 Ų68.52%0.01637%0.367CS..EExtended strand (participates in β ladder)trans-120.7120.1178.5-59.5-101.8000108.5S174 P176 Y200 V239 A248 V249 N251S174-Y202 WeakPolarHBondContact O-CD1 3.36Å; P176-Y202 HydrophobicContact CB-CD1 4.19Å; P176-Y202 HydrophobicContact CB-CE1 3.56Å; P176-Y202 HydrophobicContact CB-CE2 4.23Å; P176-Y202 HydrophobicContact CG-CE1 3.95Å; Y200-Y202 WeakPolarHBondContact O-CD2 3.41Å; Y200-Y202 WeakPolarHBondContact O-CE2 3.44Å; Y202-V239 HydrophobicContact CD1-CG1 3.62Å; Y202-V239 HydrophobicContact CD2-CG1 3.85Å; Y202-V239 HydrophobicContact CE1-CG1 3.88Å; Y202-V239 HydrophobicContact CE2-CG1 4.13Å; Y202-V239 HydrophobicContact CG-CG1 3.59Å; Y202-A248 WeakPolarHBondContact O-CA 3.43Å; Y202-V249 HydrophobicContact CD2-CB 4.25Å; Y202-V249 HydrophobicContact CD2-CG1 4.4Å; Y202-V249 PolarHBondContact N-O 2.79Å; Y202-V249 PolarHBondContact O-N 2.89Å; Y202-N251 HydrophobicContact CE2-CB 4.2Å
203N97.2Very high91.6Very high76 Ų7678.5 Ų78.541%0.40639%0.39SS..  trans-72.3152174.4-77.7-74.6000110.7S174 F201 V205S174-N203 VanDerWaalsContact CB-O 3.24Å; S174-N203 WeakPolarHBondContact CB-O 3.38Å; S174-N203 PolarHBondContact OG-N 3.12Å; S174-N203 PolarHBondContact OG-O 3.02Å; F201-N203 WeakPolarHBondContact CE1-OD1 3.5Å; N203-V205 PolarHBondContact O-N 2.7Å
204P96.6Very high92.1Very high44 Ų4476.2 Ų76.229%0.28640%0.401SS..  trans-62.6132.4166.3-8.419.3000110.6P217 T243 G246 A248P204-P217 HydrophobicContact CG-CB 3.52Å; P204-P217 HydrophobicContact CG-CG 3.82Å; P204-T243 CarbonylContact C-O 3.46Å; P204-T243 WeakPolarHBondContact CA-O 3.42Å; P204-G246 WeakPolarHBondContact CG-O 3.39Å; P204-A248 HydrophobicContact CG-CB 4.38Å
205V95.4Very high92.5Very high43 Ų4374.4 Ų74.426%0.26139%0.391SS..  trans-140.5117.7-178175.70000109.6T171 N203 T243 S244T171-V205 WeakPolarHBondContact O-CG1 3.35Å; N203-V205 PolarHBondContact O-N 2.7Å; V205-T243 PolarHBondContact N-O 2.97Å; V205-S244 VanDerWaalsContact O-CA 3.31Å; V205-S244 WeakPolarHBondContact O-CA 3.36Å
206N94.2Very high92.8Very high44 Ų4477.5 Ų77.524%0.23541%0.407CS..  trans-153118.5168.8-172.8-36.9000109.4L208 Y209 S244N206-L208 PolarHBondContact O-N 2.9Å; N206-L208 WeakPolarHBondContact OD1-CB 3.31Å; N206-L208 PolarHBondContact OD1-N 3.23Å; N206-Y209 HydrophobicContact CB-CD2 4.48Å; N206-Y209 PolarHBondContact O-N 3.01Å; N206-S244 PolarHBondContact ND2-O 2.9Å
207P93.1Very high93Very high74 Ų7476.5 Ų76.548%0.48140%0.401SS..THydrogen-bonded Turntrans-68.1-17.4-174.929.4-35.1000113.5L172L172-P207 VanDerWaalsContact CD2-CD 3.4Å; L172-P207 HydrophobicContact CD2-CG 4.06Å; L172-P207 HydrophobicContact CG-CG 4.31Å
208L92.2Very high93.2Very high148 Ų14877.2 Ų77.278%0.77541%0.406SS*.THydrogen-bonded Turntrans-87.8-13-179.4-57.1-179.2000113.3N206N206-L208 PolarHBondContact O-N 2.9Å; N206-L208 WeakPolarHBondContact OD1-CB 3.31Å; N206-L208 PolarHBondContact OD1-N 3.23Å
209Y90.8Very high93.4Very high157 Ų15773.7 Ų73.762%0.61639%0.392SS*.  trans-127.7156.2-174.8-66.2-91.3000111.4N206N206-Y209 HydrophobicContact CB-CD2 4.48Å; N206-Y209 PolarHBondContact O-N 3.01Å
210K87.6Confident93.5Very high194 Ų19473.7 Ų73.784%0.84339%0.392SS*.  trans-125.1146.3171.6-69.5-176.5-179.8179.60108.8
211P85.7Confident93.7Very high109 Ų10973.5 Ų73.571%0.70839%0.392SS*.PPolyproline II helixtrans-60.9149.5173.827-34.1000110
212L85.5Confident93.7Very high142 Ų14274.5 Ų74.574%0.74340%0.397SS*.PPolyproline II helixtrans-62.1143170.1-66.6171.6000108.6G214 S215L212-G214 PolarHBondContact O-N 3.16Å; L212-S215 PolarHBondContact N-OG 3.1Å; L212-S215 PolarHBondContact O-N 2.9Å; L212-S215 PolarHBondContact O-OG 2.73Å
213R85.4Confident93.7Very high258 Ų25874.5 Ų74.597%0.97440%0.397SS*.THydrogen-bonded Turntrans-61.2118.5-175.4-174.2179.5179.7180-0.2110S215R213-S215 VanDerWaalsContact C-N 3.3Å
214G88.1Confident93.6Very high82 Ų8271.7 Ų71.785%0.84538%0.382SS*.THydrogen-bonded Turntrans79.44.7179.400000115L212L212-G214 PolarHBondContact O-N 3.16Å
215S92.3Very high93.4Very high56 Ų5670.3 Ų70.339%0.39238%0.376SS..PPolyproline II helixtrans-80143.2171.264.80000111L212 R213L212-S215 PolarHBondContact N-OG 3.1Å; L212-S215 PolarHBondContact O-N 2.9Å; L212-S215 PolarHBondContact O-OG 2.73Å; R213-S215 VanDerWaalsContact C-N 3.3Å
216L96.2Very high93.2Very high70 Ų7069.7 Ų69.737%0.36638%0.378SS..PPolyproline II helixtrans-99.1147.1165.9-63.1178.1000109.7G291 V293 D294L216-G291 WeakPolarHBondContact CD2-O 3.14Å; L216-V293 WeakPolarHBondContact CD1-O 3.38Å; L216-D294 HydrophobicContact CB-CB 4.06Å
217P96.8Very high93.2Very high28 Ų2867.8 Ų67.818%0.18237%0.368CS..PPolyproline II helixtrans-73.4152.7-179.130.6-35.5000111.9P204 G246 A248 K292 V293 D294P204-P217 HydrophobicContact CG-CB 3.52Å; P204-P217 HydrophobicContact CG-CG 3.82Å; P217-G246 VanDerWaalsContact CB-O 3.25Å; P217-G246 WeakPolarHBondContact CB-O 3.42Å; P217-A248 HydrophobicContact CB-CB 4.39Å; P217-A248 HydrophobicContact CG-CB 4.04Å; P217-K292 WeakPolarHBondContact CD-O 3.45Å; P217-V293 HydrophobicContact CG-CG1 4.41Å; P217-V293 WeakPolarHBondContact O-CA 3.39Å; P217-D294 PolarHBondContact O-N 2.91Å
218P97.7Very high93.1Very high15 Ų1564.9 Ų64.910%0.09735%0.349CS..PPolyproline II helixtrans-62.3148.1162.929.3-34.9000110.4F247 A248 M297 L440 I442P218-F247 HydrophobicContact CB-CD1 3.76Å; P218-F247 HydrophobicContact CB-CE1 3.64Å; P218-F247 HydrophobicContact CB-CG 4.36Å; P218-F247 HydrophobicContact CB-CZ 4.13Å; P218-F247 HydrophobicContact CG-CB 4.43Å; P218-F247 HydrophobicContact CG-CD1 3.6Å; P218-F247 HydrophobicContact CG-CD2 3.83Å; P218-F247 HydrophobicContact CG-CE1 3.66Å; P218-F247 HydrophobicContact CG-CE2 3.87Å; P218-F247 HydrophobicContact CG-CG 3.69Å; P218-F247 HydrophobicContact CG-CZ 3.79Å; P218-F247 WeakPolarHBondContact O-CA 3.42Å; P218-A248 PolarHBondContact O-N 3.33Å; P218-M297 WeakPolarHBondContact CA-O 3.34Å; P218-M297 HydrophobicContact CB-CB 3.71Å; P218-M297 HydrophobicContact CB-SD 4.19Å; P218-L440 HydrophobicContact CB-CD1 4Å; P218-I442 HydrophobicContact CB-CD1 4.49Å; P218-I442 HydrophobicContact CG-CD1 4.2Å
219L98.8Very high93Very high0 Ų060.3 Ų60.30%033%0.329CS..EExtended strand (participates in β ladder)trans-107.5131.9177.5178.661.1000110.6F201 V221 A248 L250 A284 L287 V293 M297 L298 C299F201-L219 HydrophobicContact CE2-CD1 4.44Å; L219-V221 HydrophobicContact CD2-CG2 3.72Å; L219-V221 HydrophobicContact CG-CG2 3.97Å; L219-A248 HydrophobicContact CD1-CB 4.06Å; L219-L250 HydrophobicContact CD1-CB 3.9Å; L219-A284 HydrophobicContact CD2-CB 4.17Å; L219-L287 HydrophobicContact CD1-CD1 4.15Å; L219-L287 HydrophobicContact CD2-CB 4.46Å; L219-L287 HydrophobicContact CD2-CD1 3.89Å; L219-V293 HydrophobicContact CB-CB 3.99Å; L219-V293 HydrophobicContact CB-CG1 3.95Å; L219-V293 HydrophobicContact CB-CG2 4.1Å; L219-V293 HydrophobicContact CD1-CG1 4.17Å; L219-V293 HydrophobicContact CD2-CG1 4.49Å; L219-V293 HydrophobicContact CD2-CG2 4.1Å; L219-V293 HydrophobicContact CG-CG1 4.41Å; L219-M297 PolarHBondContact N-O 2.67Å; L219-L298 HydrophobicContact CB-CD2 3.81Å; L219-L298 HydrophobicContact CD2-CD2 4.09Å; L219-C299 PolarHBondContact O-N 2.99Å
220L98.9Very high92.8Very high0 Ų054.6 Ų54.60%031%0.306CS..EExtended strand (participates in β ladder)trans-104.6113.3162.917960.5000110.1L222 Y242 F247 A248 V249 L250 C299 F436L220-L222 HydrophobicContact CD1-CD2 4.37Å; L220-L222 HydrophobicContact CD2-CD2 3.84Å; L220-L222 HydrophobicContact CG-CD2 3.84Å; L220-L222 HydrophobicContact CG-CG 4.41Å; L220-Y242 HydrophobicContact CD2-CD1 3.8Å; L220-Y242 HydrophobicContact CD2-CD2 3.53Å; L220-Y242 HydrophobicContact CD2-CE1 3.79Å; L220-Y242 HydrophobicContact CD2-CE2 3.56Å; L220-Y242 HydrophobicContact CD2-CG 3.69Å; L220-F247 HydrophobicContact CB-CD1 4.48Å; L220-A248 PolarHBondContact N-O 2.7Å; L220-V249 HydrophobicContact CB-CG2 4.39Å; L220-V249 CarbonylContact O-C 3.52Å; L220-V249 VanDerWaalsContact O-CA 3.3Å; L220-V249 WeakPolarHBondContact O-CA 3.44Å; L220-L250 PolarHBondContact O-N 3.03Å; L220-C299 HydrophobicContact CD1-CB 4.11Å; L220-F436 HydrophobicContact CD1-CD2 4.37Å; L220-F436 HydrophobicContact CD1-CE2 3.53Å; L220-F436 HydrophobicContact CD1-CZ 3.74Å
221V98.9Very high92.7Very high0 Ų045.6 Ų45.60%027%0.268CS..EExtended strand (participates in β ladder)trans-87126.4170.1-179.80000109.3L219 L250 V252 C280 A284 C299 I300 S301 F320L219-V221 HydrophobicContact CD2-CG2 3.72Å; L219-V221 HydrophobicContact CG-CG2 3.97Å; V221-L250 CarbonylContact C-O 3.58Å; V221-L250 WeakPolarHBondContact CA-O 3.41Å; V221-L250 HydrophobicContact CG2-CB 4.38Å; V221-L250 HydrophobicContact CG2-CD2 4.45Å; V221-V252 HydrophobicContact CG1-CG2 3.73Å; V221-C280 HydrophobicContact CG1-CB 4.11Å; V221-A284 HydrophobicContact CG2-CB 3.88Å; V221-C299 PolarHBondContact N-O 3.44Å; V221-I300 HydrophobicContact CB-CG1 4.28Å; V221-I300 HydrophobicContact CG1-CG1 4.4Å; V221-I300 CarbonylContact O-C 3.58Å; V221-I300 WeakPolarHBondContact O-CA 3.47Å; V221-S301 PolarHBondContact O-N 3.05Å; V221-F320 HydrophobicContact CB-CE1 3.94Å; V221-F320 HydrophobicContact CB-CZ 4.25Å; V221-F320 HydrophobicContact CG1-CZ 4.43Å; V221-F320 HydrophobicContact CG2-CE1 3.68Å; V221-F320 HydrophobicContact CG2-CZ 4.22Å
222L98.6Very high92.2Very high21 Ų2142.3 Ų42.311%0.1125%0.254CS..EExtended strand (participates in β ladder)trans-103.6119.4176.4-60.3179.5000109.9L220 V239 V249 L250 N251 V252 S301L220-L222 HydrophobicContact CD1-CD2 4.37Å; L220-L222 HydrophobicContact CD2-CD2 3.84Å; L220-L222 HydrophobicContact CG-CD2 3.84Å; L220-L222 HydrophobicContact CG-CG 4.41Å; L222-V239 HydrophobicContact CD1-CG2 3.88Å; L222-V249 HydrophobicContact CD1-CG1 3.61Å; L222-V249 HydrophobicContact CG-CG1 3.86Å; L222-L250 PolarHBondContact N-O 3.39Å; L222-N251 HydrophobicContact CB-CB 4.47Å; L222-V252 PolarHBondContact O-N 3.43Å; L222-V252 VanDerWaalsContact O-N 3.14Å; L222-S301 WeakPolarHBondContact CA-O 3.24Å
223A98.1Very high91.9Very high3 Ų337.1 Ų37.13%0.02523%0.225CC..EExtended strand (participates in β ladder)trans-97.5117.8169.300000109.4S301 G302 G306 V309A223-S301 PolarHBondContact N-O 2.72Å; A223-G302 WeakPolarHBondContact O-CA 3.34Å; A223-G306 WeakPolarHBondContact O-CA 3.44Å; A223-V309 HydrophobicContact CB-CB 3.93Å; A223-V309 HydrophobicContact CB-CG1 3.95Å
224H95.6Very high92Very high18 Ų1826 Ų268%0.08319%0.186CC..PPolyproline II helixtrans-71.3149.11797077.8000111.8G226 S229 V252 D253 Y254 S257 G306H224-G226 PolarHBondContact CE1-O 2.95Å; H224-G226 PolarHBondContact ND1-O 3.41Å; H224-S229 VanDerWaalsContact CE1-C 3.44Å; H224-S229 PolarHBondContact CE1-O 2.94Å; H224-V252 PolarHBondContact CD2-O 3.28Å; H224-D253 IonicContact CD2-OD1 2.73Å; H224-Y254 AromaticContact CD2-CE1 3.69Å; H224-Y254 AromaticContact CE1-CE1 3.81Å; H224-Y254 AromaticContact CE1-CE2 3.83Å; H224-Y254 AromaticContact CE1-CZ 3.31Å; H224-Y254 PolarHBondContact CE1-OH 2.8Å; H224-Y254 AromaticContact ND1-CZ 3.83Å; H224-Y254 PolarHBondContact ND1-OH 3.26Å; H224-Y254 AromaticContact NE2-CE1 3.5Å; H224-Y254 WeakPolarHBondContact NE2-CE1 3.34Å; H224-Y254 AromaticContact NE2-CE2 3.9Å; H224-Y254 AromaticContact NE2-CZ 3.43Å; H224-Y254 PolarHBondContact O-OH 3.37Å; H224-S257 PolarHBondContact NE2-OG 2.88Å; H224-G306 WeakPolarHBondContact O-CA 3.35Å; H224-G306 PolarHBondContact O-N 3.18Å
225G92.3Very high92.3Very high15 Ų1523.2 Ų23.216%0.15515%0.152CC..SBendtrans-78.4175.1167.700000111.5R303G225-R303 WeakPolarHBondContact CA-O 3.16Å; G225-R303 PolarHBondContact N-O 2.77Å
226G90.8Very high92.3Very high29 Ų2922.5 Ų22.530%0.29914%0.143SC..SBendtrans6292.5-167.800000108.7H224 T228 S229H224-G226 PolarHBondContact CE1-O 2.95Å; H224-G226 PolarHBondContact ND1-O 3.41Å; G226-T228 PolarHBondContact O-N 3.36Å; G226-S229 WeakPolarHBondContact O-CB 3.28Å; G226-S229 PolarHBondContact O-N 3.17Å
227P92.9Very high92.2Very high4 Ų423.3 Ų23.33%0.02615%0.148CC..THydrogen-bonded Turntrans-61.6-15.7-168.423.2-30.3000113.3Y254 L268 L272 A305 Y346 L350P227-Y254 WeakPolarHBondContact O-CE2 3.16Å; P227-L268 HydrophobicContact CB-CD2 3.79Å; P227-L268 WeakPolarHBondContact O-CD2 3.48Å; P227-L272 HydrophobicContact CB-CD1 3.61Å; P227-L272 HydrophobicContact CG-CD1 4.33Å; P227-A305 HydrophobicContact CB-CB 4.15Å; P227-A305 HydrophobicContact CG-CB 4.14Å; P227-Y346 WeakPolarHBondContact CD-OH 2.97Å; P227-Y346 HydrophobicContact CG-CE1 3.7Å; P227-Y346 WeakPolarHBondContact CG-OH 3.42Å; P227-L350 HydrophobicContact CB-CD1 4.01Å; P227-L350 HydrophobicContact CG-CD1 3.43Å; P227-L350 VanDerWaalsContact CG-CD1 3.43Å
228T92Very high92.1Very high14 Ų1426.3 Ų26.39%0.08616%0.155CC..THydrogen-bonded Turntrans-114.425.5170.965.80000114.5W10 G226 G256 R265 Y346 L350W10-T228 PolarHBondContact NE1-OG1 3.26Å; G226-T228 PolarHBondContact O-N 3.36Å; T228-G256 VanDerWaalsContact CA-O 3.27Å; T228-G256 WeakPolarHBondContact CA-O 3.38Å; T228-R265 HydrophobicContact CG2-CG 4.33Å; T228-Y346 HydrophobicContact CG2-CE2 4.32Å; T228-Y346 PolarHBondContact N-OH 3.14Å; T228-Y346 PolarHBondContact OG1-OH 3.05Å; T228-L350 HydrophobicContact CG2-CD2 4.06Å
229S89.3Confident92Very high52 Ų5225.6 Ų25.636%0.36415%0.151SC..  trans-93.9-156173.6-162.50000110.8H224 G226 S257 S258H224-S229 VanDerWaalsContact CE1-C 3.44Å; H224-S229 PolarHBondContact CE1-O 2.94Å; G226-S229 WeakPolarHBondContact O-CB 3.28Å; G226-S229 PolarHBondContact O-N 3.17Å; S229-S257 CarbonylContact O-C 3.6Å; S229-S257 WeakPolarHBondContact O-CA 3.48Å; S229-S257 WeakPolarHBondContact O-CB 3.45Å; S229-S258 VanDerWaalsContact C-OG 3.31Å; S229-S258 PolarHBondContact O-N 3.44Å; S229-S258 PolarHBondContact O-OG 2.9Å
230R86.7Confident91.9Very high36 Ų3626.2 Ų26.214%0.13615%0.154CC..  trans-150.6165.717463.4173.3-173.7153.19.3110.7E102 D253 S258E102-R230 IonicContact OE1-CZ 2.72Å; E102-R230 IonicContact OE1-NH1 2.71Å; E102-R230 IonicContact OE1-NH2 3.62Å; E102-R230 PolarHBondContact OE1-NH2 3.48Å; R230-D253 WeakPolarHBondContact CA-OD1 3.24Å; R230-D253 WeakPolarHBondContact CB-OD1 3.26Å; R230-S258 VanDerWaalsContact CB-O 3.31Å; R230-S258 WeakPolarHBondContact CB-O 3.14Å; R230-S258 WeakPolarHBondContact CD-O 3.5Å
231C85.1Confident91.8Very high6 Ų627.6 Ų27.64%0.04116%0.159CC..  trans-73.8155.116468.10000112.1Y200 N251 D253Y200-C231 WeakPolarHBondContact CD2-SG 3.28Å; Y200-C231 VanDerWaalsContact CE2-SG 3.58Å; C231-N251 HydrophobicContact CB-CB 4.24Å; C231-N251 WeakPolarHBondContact CB-ND2 3.42Å; C231-N251 WeakPolarHBondContact CB-OD1 3.24Å; C231-D253 PolarHBondContact N-OD1 3.41Å; C231-D253 PolarHBondContact SG-OD1 2.95Å; C231-D253 PolarHBondContact SG-OD2 3.07Å
232G76.7Confident91.7Very high40 Ų4027.9 Ų27.941%0.41216%0.16SC..  trans-96152.117800000112
233R79.4Confident91.6Very high33 Ų3326.9 Ų26.913%0.12516%0.155CC..  trans-94.8-20.2174.6-64.8173.962.5114.5-10.5113.7V100 A142 Y200V100-R233 PolarHBondContact O-NH1 3.26Å; V100-R233 PolarHBondContact O-NH2 3.22Å; V100-R233 VanDerWaalsContact O-NH2 3.1Å; A142-R233 WeakPolarHBondContact CA-O 3.14Å; Y200-R233 HydrophobicContact CE1-CG 3.78Å; Y200-R233 VanDerWaalsContact CE1-NH1 3.34Å; Y200-R233 HydrophobicContact CE2-CG 3.89Å; Y200-R233 VanDerWaalsContact CZ-CG 3.43Å; Y200-R233 WeakPolarHBondContact OH-CD 3.42Å; Y200-R233 WeakPolarHBondContact OH-CG 3.3Å; Y200-R233 PolarHBondContact OH-NH1 2.79Å
234S87Confident91.5Very high23 Ų2327.8 Ų27.816%0.16116%0.161CC..SBendtrans-60.3152.5176.7-68.50000112.1E123 S140 D236E123-S234 PolarHBondContact OE2-OG 3.2Å; S140-S234 WeakPolarHBondContact CB-OG 3.36Å; S140-S234 PolarHBondContact OG-OG 2.91Å; S234-D236 PolarHBondContact O-N 2.78Å
235L93.5Very high91.4Very high25 Ų2531.7 Ų31.713%0.13118%0.175CC..  trans-49.4104.8-179.618065.7000112.2D141 F145 L168 I173 L237 Q240D141-L235 PolarHBondContact O-N 2.81Å; F145-L235 HydrophobicContact CD1-CD2 4.02Å; F145-L235 HydrophobicContact CD2-CD2 4.42Å; F145-L235 HydrophobicContact CE1-CD2 3.99Å; F145-L235 HydrophobicContact CE2-CD2 4.4Å; F145-L235 HydrophobicContact CG-CD2 4.24Å; F145-L235 HydrophobicContact CZ-CD2 4.2Å; L168-L235 HydrophobicContact CD1-CD2 4.46Å; I173-L235 HydrophobicContact CD1-CD1 4.37Å; I173-L235 HydrophobicContact CG2-CD1 4Å; L235-L237 HydrophobicContact CD2-CD2 4.41Å; L235-L237 HydrophobicContact CG-CD2 4.35Å; L235-Q240 HydrophobicContact CD1-CG 3.74Å
236D93.3Very high91.5Very high40 Ų4032.6 Ų32.621%0.21419%0.185CC..  trans-100106.1174.1-170.9-23.3000110.2S234 R238 V239 Q240S234-D236 PolarHBondContact O-N 2.78Å; D236-R238 PolarHBondContact O-N 2.89Å; D236-R238 VanDerWaalsContact O-N 3.1Å; D236-R238 VanDerWaalsContact OD1-CB 3.27Å; D236-R238 WeakPolarHBondContact OD1-CB 3.38Å; D236-R238 IonicContact OD1-CZ 2.74Å; D236-R238 PolarHBondContact OD1-N 3.06Å; D236-R238 IonicContact OD1-NE 3.58Å; D236-R238 PolarHBondContact OD1-NE 2.67Å; D236-R238 IonicContact OD1-NH2 3.72Å; D236-R238 IonicContact OD2-CZ 2.75Å; D236-R238 IonicContact OD2-NE 3.65Å; D236-R238 IonicContact OD2-NH2 3.43Å; D236-R238 PolarHBondContact OD2-NH2 3.26Å; D236-V239 HydrophobicContact CB-CB 4.21Å; D236-V239 HydrophobicContact CB-CG2 3.89Å; D236-V239 WeakPolarHBondContact O-CB 3.46Å; D236-V239 PolarHBondContact O-N 3.15Å; D236-Q240 WeakPolarHBondContact O-CG 3.32Å; D236-Q240 PolarHBondContact O-N 2.95Å
237L93.6Very high91.8Very high87 Ų8731.4 Ų31.446%0.45517%0.172SC..Hα-helixtrans-59.4-22.9179.5-65.6-170.9000113.9F145 L168 L235 Q240 Y241F145-L237 HydrophobicContact CE1-CD1 3.86Å; F145-L237 HydrophobicContact CE1-CD2 3.82Å; F145-L237 HydrophobicContact CE1-CG 4.01Å; F145-L237 HydrophobicContact CZ-CD1 4.18Å; F145-L237 HydrophobicContact CZ-CD2 3.88Å; F145-L237 HydrophobicContact CZ-CG 4.45Å; L168-L237 HydrophobicContact CD1-CD2 3.68Å; L235-L237 HydrophobicContact CD2-CD2 4.41Å; L235-L237 HydrophobicContact CG-CD2 4.35Å; L237-Q240 PolarHBondContact O-N 3.19Å; L237-Y241 WeakPolarHBondContact O-CB 3.36Å; L237-Y241 PolarHBondContact O-N 2.96Å
238R94Very high92.1Very high91 Ų9131.2 Ų31.234%0.34317%0.17SC..Hα-helixtrans-71.7-42.6175.1-57.5173.3-60132.14.1110.1D236 Q240 Y241 Y242 L429D236-R238 PolarHBondContact O-N 2.89Å; D236-R238 VanDerWaalsContact O-N 3.1Å; D236-R238 VanDerWaalsContact OD1-CB 3.27Å; D236-R238 WeakPolarHBondContact OD1-CB 3.38Å; D236-R238 IonicContact OD1-CZ 2.74Å; D236-R238 PolarHBondContact OD1-N 3.06Å; D236-R238 IonicContact OD1-NE 3.58Å; D236-R238 PolarHBondContact OD1-NE 2.67Å; D236-R238 IonicContact OD1-NH2 3.72Å; D236-R238 IonicContact OD2-CZ 2.75Å; D236-R238 IonicContact OD2-NE 3.65Å; D236-R238 IonicContact OD2-NH2 3.43Å; D236-R238 PolarHBondContact OD2-NH2 3.26Å; R238-Q240 VanDerWaalsContact C-N 3.31Å; R238-Q240 PolarHBondContact O-N 3.01Å; R238-Y241 WeakPolarHBondContact O-CB 3.27Å; R238-Y241 PolarHBondContact O-N 3.4Å; R238-Y242 WeakPolarHBondContact O-CD2 3.42Å; R238-Y242 PolarHBondContact O-N 2.77Å; R238-L429 HydrophobicContact CB-CD1 4.31Å; R238-L429 HydrophobicContact CG-CD1 4.42Å
239V96.8Very high92.4Very high1 Ų130.5 Ų30.51%0.00617%0.166CC..Hα-helixtrans-59.3-47.4172175.90000109.6Y202 L222 D236 Y241 Y242 T243 V249Y202-V239 HydrophobicContact CD1-CG1 3.62Å; Y202-V239 HydrophobicContact CD2-CG1 3.85Å; Y202-V239 HydrophobicContact CE1-CG1 3.88Å; Y202-V239 HydrophobicContact CE2-CG1 4.13Å; Y202-V239 HydrophobicContact CG-CG1 3.59Å; L222-V239 HydrophobicContact CD1-CG2 3.88Å; D236-V239 HydrophobicContact CB-CB 4.21Å; D236-V239 HydrophobicContact CB-CG2 3.89Å; D236-V239 WeakPolarHBondContact O-CB 3.46Å; D236-V239 PolarHBondContact O-N 3.15Å; V239-Y241 VanDerWaalsContact C-N 3.27Å; V239-Y241 PolarHBondContact O-N 3.45Å; V239-Y242 PolarHBondContact O-N 3.47Å; V239-Y242 VanDerWaalsContact O-N 3.12Å; V239-T243 HydrophobicContact CG1-CG2 4.14Å; V239-T243 WeakPolarHBondContact O-CG2 3.26Å; V239-T243 PolarHBondContact O-N 2.87Å; V239-T243 PolarHBondContact O-OG1 3.14Å; V239-V249 HydrophobicContact CG1-CB 4.1Å; V239-V249 HydrophobicContact CG1-CG1 4.18Å; V239-V249 HydrophobicContact CG1-CG2 4.18Å; V239-V249 HydrophobicContact CG2-CG1 4.34Å
240Q96.7Very high92.8Very high13 Ų1328 Ų286%0.06115%0.149CC..Hα-helixtrans-64.1-30.4179.4-54.9-49-33.800113.3S174 L235 D236 L237 R238 Y242 T243 S244S174-Q240 PolarHBondContact O-NE2 3.24Å; L235-Q240 HydrophobicContact CD1-CG 3.74Å; D236-Q240 WeakPolarHBondContact O-CG 3.32Å; D236-Q240 PolarHBondContact O-N 2.95Å; L237-Q240 PolarHBondContact O-N 3.19Å; R238-Q240 VanDerWaalsContact C-N 3.31Å; R238-Q240 PolarHBondContact O-N 3.01Å; Q240-Y242 VanDerWaalsContact C-N 3.33Å; Q240-Y242 PolarHBondContact O-N 3.21Å; Q240-T243 WeakPolarHBondContact CA-OG1 3.36Å; Q240-T243 PolarHBondContact O-OG1 3.48Å; Q240-T243 PolarHBondContact OE1-OG1 2.76Å; Q240-S244 WeakPolarHBondContact O-CB 3.25Å; Q240-S244 PolarHBondContact O-N 2.85Å; Q240-S244 PolarHBondContact O-OG 3.35Å
241Y95.8Very high93.4Very high29 Ų2926.9 Ų26.911%0.11415%0.145CC..Hα-helixtrans-60.8-41.9173.9-176.1-83.7000111.8L237 R238 V239 S244 R245 L429 D430 Y433L237-Y241 WeakPolarHBondContact O-CB 3.36Å; L237-Y241 PolarHBondContact O-N 2.96Å; R238-Y241 WeakPolarHBondContact O-CB 3.27Å; R238-Y241 PolarHBondContact O-N 3.4Å; V239-Y241 VanDerWaalsContact C-N 3.27Å; V239-Y241 PolarHBondContact O-N 3.45Å; Y241-S244 PolarHBondContact O-OG 3.1Å; Y241-R245 VanDerWaalsContact CE2-CZ 3.43Å; Y241-R245 WeakPolarHBondContact O-CD 3.39Å; Y241-R245 WeakPolarHBondContact O-CG 3.47Å; Y241-R245 PolarHBondContact O-NH1 3.45Å; Y241-L429 HydrophobicContact CD1-CD1 4.01Å; Y241-L429 HydrophobicContact CD1-CD2 4.2Å; Y241-L429 HydrophobicContact CD1-CG 3.99Å; Y241-L429 HydrophobicContact CD2-CD2 3.63Å; Y241-L429 HydrophobicContact CD2-CG 4.21Å; Y241-L429 HydrophobicContact CE1-CG 4.19Å; Y241-L429 HydrophobicContact CE2-CD2 4.07Å; Y241-L429 HydrophobicContact CE2-CG 4.35Å; Y241-L429 HydrophobicContact CG-CD1 4.21Å; Y241-L429 HydrophobicContact CG-CD2 3.7Å; Y241-L429 HydrophobicContact CG-CG 4.02Å; Y241-D430 VanDerWaalsContact CZ-OD1 3.31Å; Y241-D430 PolarHBondContact OH-OD1 3.2Å; Y241-Y433 HydrophobicContact CE1-CD1 4.28Å; Y241-Y433 HydrophobicContact CE1-CD2 4.18Å; Y241-Y433 AromaticContact CE1-CG 3.83Å; Y241-Y433 HydrophobicContact CE1-CG 3.83Å
242Y97.3Very high94Very high5 Ų526.6 Ų26.62%0.0214%0.144CC..Hα-helixtrans-74.3-47.4177.1-77-77.5000112.7L220 R238 V239 Q240 S244 R245 G246 F247 L429 E432 Y433 F436L220-Y242 HydrophobicContact CD2-CD1 3.8Å; L220-Y242 HydrophobicContact CD2-CD2 3.53Å; L220-Y242 HydrophobicContact CD2-CE1 3.79Å; L220-Y242 HydrophobicContact CD2-CE2 3.56Å; L220-Y242 HydrophobicContact CD2-CG 3.69Å; R238-Y242 WeakPolarHBondContact O-CD2 3.42Å; R238-Y242 PolarHBondContact O-N 2.77Å; V239-Y242 PolarHBondContact O-N 3.47Å; V239-Y242 VanDerWaalsContact O-N 3.12Å; Q240-Y242 VanDerWaalsContact C-N 3.33Å; Q240-Y242 PolarHBondContact O-N 3.21Å; Y242-S244 VanDerWaalsContact C-N 3.29Å; Y242-S244 PolarHBondContact O-N 3.36Å; Y242-R245 CarbonylContact O-C 3.52Å; Y242-R245 WeakPolarHBondContact O-CA 3.26Å; Y242-R245 PolarHBondContact O-N 3.37Å; Y242-G246 PolarHBondContact O-N 3.13Å; Y242-F247 HydrophobicContact CD1-CB 4.31Å; Y242-F247 HydrophobicContact CD1-CD1 4.38Å; Y242-F247 HydrophobicContact CD1-CD2 4.43Å; Y242-F247 HydrophobicContact CD1-CG 4.12Å; Y242-F247 PolarHBondContact O-N 3.13Å; Y242-L429 HydrophobicContact CE2-CD1 3.92Å; Y242-E432 WeakPolarHBondContact OH-CB 3.28Å; Y242-E432 WeakPolarHBondContact OH-CG 3.4Å; Y242-E432 PolarHBondContact OH-OE1 3.17Å; Y242-E432 PolarHBondContact OH-OE2 3.2Å; Y242-Y433 HydrophobicContact CD1-CD2 4.08Å; Y242-Y433 AromaticContact CE1-CD2 3.84Å; Y242-Y433 HydrophobicContact CE1-CD2 3.84Å; Y242-Y433 PolarHBondContact OH-N 3.16Å; Y242-F436 HydrophobicContact CE1-CD2 4.18Å
243T97.1Very high94.8Very high0 Ų024.7 Ų24.70%012%0.124CC..Hα-helixtrans-64.5-34.7-177.6590000112.3P204 V205 V239 Q240 R245 G246 F247 V249P204-T243 CarbonylContact C-O 3.46Å; P204-T243 WeakPolarHBondContact CA-O 3.42Å; V205-T243 PolarHBondContact N-O 2.97Å; V239-T243 HydrophobicContact CG1-CG2 4.14Å; V239-T243 WeakPolarHBondContact O-CG2 3.26Å; V239-T243 PolarHBondContact O-N 2.87Å; V239-T243 PolarHBondContact O-OG1 3.14Å; Q240-T243 WeakPolarHBondContact CA-OG1 3.36Å; Q240-T243 PolarHBondContact O-OG1 3.48Å; Q240-T243 PolarHBondContact OE1-OG1 2.76Å; T243-R245 PolarHBondContact O-N 3.35Å; T243-G246 PolarHBondContact O-N 3.1Å; T243-F247 VanDerWaalsContact CA-O 3.31Å; T243-F247 WeakPolarHBondContact CA-O 3.49Å; T243-V249 HydrophobicContact CG2-CG2 3.94Å
244S95.1Very high95.7Very high23 Ų2323.1 Ų23.116%0.16112%0.118CC..THydrogen-bonded Turntrans-67.2-13.4171.961.60000114.5V205 N206 Q240 Y241 Y242V205-S244 VanDerWaalsContact O-CA 3.31Å; V205-S244 WeakPolarHBondContact O-CA 3.36Å; N206-S244 PolarHBondContact ND2-O 2.9Å; Q240-S244 WeakPolarHBondContact O-CB 3.25Å; Q240-S244 PolarHBondContact O-N 2.85Å; Q240-S244 PolarHBondContact O-OG 3.35Å; Y241-S244 PolarHBondContact O-OG 3.1Å; Y242-S244 VanDerWaalsContact C-N 3.29Å; Y242-S244 PolarHBondContact O-N 3.36Å
245R94.2Very high96.1Very high99 Ų9922 Ų2237%0.37411%0.11SC..THydrogen-bonded Turntrans-112.819.4-179.1-71.1169.8177.964.51.5113.3Y241 Y242 T243 Y433Y241-R245 VanDerWaalsContact CE2-CZ 3.43Å; Y241-R245 WeakPolarHBondContact O-CD 3.39Å; Y241-R245 WeakPolarHBondContact O-CG 3.47Å; Y241-R245 PolarHBondContact O-NH1 3.45Å; Y242-R245 CarbonylContact O-C 3.52Å; Y242-R245 WeakPolarHBondContact O-CA 3.26Å; Y242-R245 PolarHBondContact O-N 3.37Å; T243-R245 PolarHBondContact O-N 3.35Å; R245-Y433 HydrophobicContact CB-CE2 3.84Å; R245-Y433 HydrophobicContact CG-CE2 4.39Å
246G94.3Very high96.1Very high35 Ų3520.9 Ų20.936%0.36110%0.104SC..THydrogen-bonded Turntrans89.6-1.217200000115.2P204 P217 Y242 T243P204-G246 WeakPolarHBondContact CG-O 3.39Å; P217-G246 VanDerWaalsContact CB-O 3.25Å; P217-G246 WeakPolarHBondContact CB-O 3.42Å; Y242-G246 PolarHBondContact O-N 3.13Å; T243-G246 PolarHBondContact O-N 3.1Å
247F97.3Very high96.1Very high3 Ų319 Ų191%0.0139%0.094CC..  trans-82.2138.1174.4-78.6-109.2000110.8P218 L220 Y242 T243 Y433 F436 L440 I442P218-F247 HydrophobicContact CB-CD1 3.76Å; P218-F247 HydrophobicContact CB-CE1 3.64Å; P218-F247 HydrophobicContact CB-CG 4.36Å; P218-F247 HydrophobicContact CB-CZ 4.13Å; P218-F247 HydrophobicContact CG-CB 4.43Å; P218-F247 HydrophobicContact CG-CD1 3.6Å; P218-F247 HydrophobicContact CG-CD2 3.83Å; P218-F247 HydrophobicContact CG-CE1 3.66Å; P218-F247 HydrophobicContact CG-CE2 3.87Å; P218-F247 HydrophobicContact CG-CG 3.69Å; P218-F247 HydrophobicContact CG-CZ 3.79Å; P218-F247 WeakPolarHBondContact O-CA 3.42Å; L220-F247 HydrophobicContact CB-CD1 4.48Å; Y242-F247 HydrophobicContact CD1-CB 4.31Å; Y242-F247 HydrophobicContact CD1-CD1 4.38Å; Y242-F247 HydrophobicContact CD1-CD2 4.43Å; Y242-F247 HydrophobicContact CD1-CG 4.12Å; Y242-F247 PolarHBondContact O-N 3.13Å; T243-F247 VanDerWaalsContact CA-O 3.31Å; T243-F247 WeakPolarHBondContact CA-O 3.49Å; F247-Y433 HydrophobicContact CD2-CE2 4.11Å; F247-Y433 HydrophobicContact CE2-CD2 4.36Å; F247-Y433 AromaticContact CE2-CE2 3.72Å; F247-Y433 HydrophobicContact CE2-CE2 3.72Å; F247-F436 HydrophobicContact CZ-CB 4.45Å; F247-L440 HydrophobicContact CE1-CD1 4.15Å; F247-L440 HydrophobicContact CZ-CD1 4.27Å; F247-I442 HydrophobicContact CE2-CD1 4.31Å; F247-I442 HydrophobicContact CZ-CD1 3.96Å
248A98.4Very high95.8Very high0 Ų015.3 Ų15.30%08%0.076CC..EExtended strand (participates in β ladder)trans-79.2151.515900000108.7F201 Y202 P204 P217 P218 L219 L220 V293F201-A248 HydrophobicContact CE2-CB 3.8Å; F201-A248 HydrophobicContact CZ-CB 4.03Å; Y202-A248 WeakPolarHBondContact O-CA 3.43Å; P204-A248 HydrophobicContact CG-CB 4.38Å; P217-A248 HydrophobicContact CB-CB 4.39Å; P217-A248 HydrophobicContact CG-CB 4.04Å; P218-A248 PolarHBondContact O-N 3.33Å; L219-A248 HydrophobicContact CD1-CB 4.06Å; L220-A248 PolarHBondContact N-O 2.7Å; A248-V293 HydrophobicContact CB-CG1 3.78Å
249V98.7Very high95.2Very high0 Ų011.2 Ų11.20%06%0.061CC..EExtended strand (participates in β ladder)trans-126.7133.6176.2-177.50000109.5F201 Y202 L220 L222 V239 T243F201-V249 CarbonylContact C-O 3.47Å; F201-V249 WeakPolarHBondContact CA-O 3.1Å; Y202-V249 HydrophobicContact CD2-CB 4.25Å; Y202-V249 HydrophobicContact CD2-CG1 4.4Å; Y202-V249 PolarHBondContact N-O 2.79Å; Y202-V249 PolarHBondContact O-N 2.89Å; L220-V249 HydrophobicContact CB-CG2 4.39Å; L220-V249 CarbonylContact O-C 3.52Å; L220-V249 VanDerWaalsContact O-CA 3.3Å; L220-V249 WeakPolarHBondContact O-CA 3.44Å; L222-V249 HydrophobicContact CD1-CG1 3.61Å; L222-V249 HydrophobicContact CG-CG1 3.86Å; V239-V249 HydrophobicContact CG1-CB 4.1Å; V239-V249 HydrophobicContact CG1-CG1 4.18Å; V239-V249 HydrophobicContact CG1-CG2 4.18Å; V239-V249 HydrophobicContact CG2-CG1 4.34Å; T243-V249 HydrophobicContact CG2-CG2 3.94Å
250L98.7Very high94.7Very high0 Ų011.9 Ų11.90%06%0.064CC..EExtended strand (participates in β ladder)trans-115.8112.5168.417461.9000108.6I179 L219 L220 V221 L222 V252 L287I179-L250 HydrophobicContact CD1-CD1 3.58Å; I179-L250 HydrophobicContact CG1-CD1 4.09Å; L219-L250 HydrophobicContact CD1-CB 3.9Å; L220-L250 PolarHBondContact O-N 3.03Å; V221-L250 CarbonylContact C-O 3.58Å; V221-L250 WeakPolarHBondContact CA-O 3.41Å; V221-L250 HydrophobicContact CG2-CB 4.38Å; V221-L250 HydrophobicContact CG2-CD2 4.45Å; L222-L250 PolarHBondContact N-O 3.39Å; L250-V252 HydrophobicContact CD1-CG2 4.42Å; L250-V252 HydrophobicContact CD2-CG2 3.74Å; L250-V252 HydrophobicContact CG-CG2 3.64Å; L250-L287 HydrophobicContact CB-CD1 3.87Å; L250-L287 HydrophobicContact CD1-CD1 4.3Å; L250-L287 HydrophobicContact CD2-CD1 3.76Å; L250-L287 HydrophobicContact CG-CD1 4.17Å
251N97.6Very high94.2Very high12 Ų1211.6 Ų11.66%0.0647%0.065CC..EExtended strand (participates in β ladder)trans-95.9109173.9-155.4-6.8000108.9G199 Y200 Y202 L222 C231G199-N251 CarbonylContact C-O 3.58Å; G199-N251 WeakPolarHBondContact CA-O 3.45Å; Y200-N251 PolarHBondContact N-O 3.14Å; Y200-N251 PolarHBondContact O-N 3.15Å; Y202-N251 HydrophobicContact CE2-CB 4.2Å; L222-N251 HydrophobicContact CB-CB 4.47Å; C231-N251 HydrophobicContact CB-CB 4.24Å; C231-N251 WeakPolarHBondContact CB-ND2 3.42Å; C231-N251 WeakPolarHBondContact CB-OD1 3.24Å
252V97.8Very high93.7Very high0 Ų011.5 Ų11.50%06%0.064CC..EExtended strand (participates in β ladder)trans-93.1126.1-167.4-176.50000110.1F181 I197 V221 L222 H224 L250 Y254F181-V252 HydrophobicContact CZ-CG1 4.24Å; I197-V252 HydrophobicContact CG2-CG1 4.25Å; V221-V252 HydrophobicContact CG1-CG2 3.73Å; L222-V252 PolarHBondContact O-N 3.43Å; L222-V252 VanDerWaalsContact O-N 3.14Å; H224-V252 PolarHBondContact CD2-O 3.28Å; L250-V252 HydrophobicContact CD1-CG2 4.42Å; L250-V252 HydrophobicContact CD2-CG2 3.74Å; L250-V252 HydrophobicContact CG-CG2 3.64Å; V252-Y254 PolarHBondContact O-N 3.04Å
253D95.3Very high93.4Very high0 Ų015.2 Ų15.20%08%0.08CC..EExtended strand (participates in β ladder)trans-92.385.8160.4-80.4-33.5000107.6Y198 H224 R230 C231 S257 Y260 Y264Y198-D253 CarbonylContact O-C 3.2Å; Y198-D253 PolarHBondContact O-N 2.86Å; Y198-D253 VanDerWaalsContact O-O 3.11Å; H224-D253 IonicContact CD2-OD1 2.73Å; R230-D253 WeakPolarHBondContact CA-OD1 3.24Å; R230-D253 WeakPolarHBondContact CB-OD1 3.26Å; C231-D253 PolarHBondContact N-OD1 3.41Å; C231-D253 PolarHBondContact SG-OD1 2.95Å; C231-D253 PolarHBondContact SG-OD2 3.07Å; D253-S257 VanDerWaalsContact CA-OG 3.27Å; D253-S257 WeakPolarHBondContact CA-OG 3.47Å; D253-Y260 HydrophobicContact CB-CD2 4.39Å; D253-Y260 HydrophobicContact CB-CE2 3.43Å; D253-Y260 VanDerWaalsContact CB-CE2 3.43Å; D253-Y260 VanDerWaalsContact OD2-CE2 3.27Å; D253-Y260 WeakPolarHBondContact OD2-CE2 3.18Å; D253-Y260 PolarHBondContact OD2-OH 3.27Å; D253-Y264 PolarHBondContact O-OH 2.89Å
254Y97.4Very high93.1Very high0 Ų015.3 Ų15.30%08%0.081CC..  trans-69.5160.6-179.648.2-103.3000111.3H224 P227 V252 G256 S257 Y264 L268 D276H224-Y254 AromaticContact CD2-CE1 3.69Å; H224-Y254 AromaticContact CE1-CE1 3.81Å; H224-Y254 AromaticContact CE1-CE2 3.83Å; H224-Y254 AromaticContact CE1-CZ 3.31Å; H224-Y254 PolarHBondContact CE1-OH 2.8Å; H224-Y254 AromaticContact ND1-CZ 3.83Å; H224-Y254 PolarHBondContact ND1-OH 3.26Å; H224-Y254 AromaticContact NE2-CE1 3.5Å; H224-Y254 WeakPolarHBondContact NE2-CE1 3.34Å; H224-Y254 AromaticContact NE2-CE2 3.9Å; H224-Y254 AromaticContact NE2-CZ 3.43Å; H224-Y254 PolarHBondContact O-OH 3.37Å; P227-Y254 WeakPolarHBondContact O-CE2 3.16Å; V252-Y254 PolarHBondContact O-N 3.04Å; Y254-G256 PolarHBondContact O-N 3.32Å; Y254-G256 VanDerWaalsContact O-N 3.15Å; Y254-S257 PolarHBondContact N-OG 2.85Å; Y254-S257 VanDerWaalsContact N-OG 3.1Å; Y254-S257 VanDerWaalsContact O-CB 3.24Å; Y254-S257 WeakPolarHBondContact O-CB 3.44Å; Y254-S257 PolarHBondContact O-N 2.98Å; Y254-S257 PolarHBondContact O-OG 2.97Å; Y254-Y264 WeakPolarHBondContact O-CE1 3.24Å; Y254-L268 HydrophobicContact CE2-CD2 4.23Å; Y254-D276 HydrophobicContact CD1-CB 4.47Å; Y254-D276 HydrophobicContact CD2-CB 3.71Å; Y254-D276 HydrophobicContact CE2-CB 3.99Å; Y254-D276 HydrophobicContact CG-CB 3.98Å
255R95.4Very high92.8Very high0 Ų014.6 Ų14.60%07%0.074CC..THydrogen-bonded Turntrans-51.4122.1172.2-71.7173.9-68-179.9-7.1109.4L185 I195 Y264 L267 L268 Y275 D278 D279L185-R255 PolarHBondContact O-NH1 3.24Å; L185-R255 PolarHBondContact O-NH2 2.63Å; L185-R255 VanDerWaalsContact O-NH2 3.09Å; I195-R255 HydrophobicContact CG2-CG 4.2Å; R255-Y264 HydrophobicContact CG-CE2 3.99Å; R255-Y264 PolarHBondContact N-OH 2.82Å; R255-L267 HydrophobicContact CB-CB 3.96Å; R255-L267 HydrophobicContact CB-CD1 4.2Å; R255-L267 HydrophobicContact CG-CB 4.44Å; R255-L267 HydrophobicContact CG-CD1 3.8Å; R255-L268 WeakPolarHBondContact O-CB 3.33Å; R255-Y275 HydrophobicContact CB-CD2 4.47Å; R255-D278 IonicContact NH2-OD2 2.71Å; R255-D278 PolarHBondContact NH2-OD2 2.92Å; R255-D279 WeakPolarHBondContact CB-OD2 3.1Å; R255-D279 WeakPolarHBondContact CG-OD2 2.77Å; R255-D279 IonicContact CZ-OD1 3.32Å; R255-D279 IonicContact CZ-OD2 2.67Å; R255-D279 PolarHBondContact N-OD2 3.4Å; R255-D279 VanDerWaalsContact NE-CG 3.34Å; R255-D279 IonicContact NE-OD1 3.95Å; R255-D279 PolarHBondContact NE-OD1 3.36Å; R255-D279 IonicContact NE-OD2 3.65Å; R255-D279 PolarHBondContact NE-OD2 3.32Å; R255-D279 IonicContact NH2-OD1 3.24Å; R255-D279 PolarHBondContact NH2-OD1 3.12Å
256G93.3Very high92.8Very high0 Ų012.3 Ų12.30%07%0.068CC..THydrogen-bonded Turntrans118-24.5-162.700000113.6T228 Y254 Y264 R265 L268T228-G256 VanDerWaalsContact CA-O 3.27Å; T228-G256 WeakPolarHBondContact CA-O 3.38Å; Y254-G256 PolarHBondContact O-N 3.32Å; Y254-G256 VanDerWaalsContact O-N 3.15Å; G256-Y264 PolarHBondContact N-O 2.72Å; G256-R265 WeakPolarHBondContact CA-O 3.38Å; G256-R265 VanDerWaalsContact O-CG 3.31Å; G256-R265 WeakPolarHBondContact O-CG 3.5Å; G256-L268 VanDerWaalsContact CA-CB 3.45Å
257S92.6Very high92.8Very high0 Ų012.1 Ų12.10%06%0.059CC..  trans-68.7142.2-175.5-56.80000112.2H224 S229 D253 Y254 Y264H224-S257 PolarHBondContact NE2-OG 2.88Å; S229-S257 CarbonylContact O-C 3.6Å; S229-S257 WeakPolarHBondContact O-CA 3.48Å; S229-S257 WeakPolarHBondContact O-CB 3.45Å; D253-S257 VanDerWaalsContact CA-OG 3.27Å; D253-S257 WeakPolarHBondContact CA-OG 3.47Å; Y254-S257 PolarHBondContact N-OG 2.85Å; Y254-S257 VanDerWaalsContact N-OG 3.1Å; Y254-S257 VanDerWaalsContact O-CB 3.24Å; Y254-S257 WeakPolarHBondContact O-CB 3.44Å; Y254-S257 PolarHBondContact O-N 2.98Å; Y254-S257 PolarHBondContact O-OG 2.97Å; S257-Y264 WeakPolarHBondContact O-CD1 3.46Å
258S87.8Confident92.7Very high11 Ų1112 Ų128%0.0776%0.058CC..THydrogen-bonded Turntrans-71.3152170.363.20000110.6S229 R230S229-S258 VanDerWaalsContact C-OG 3.31Å; S229-S258 PolarHBondContact O-N 3.44Å; S229-S258 PolarHBondContact O-OG 2.9Å; R230-S258 VanDerWaalsContact CB-O 3.31Å; R230-S258 WeakPolarHBondContact CB-O 3.14Å; R230-S258 WeakPolarHBondContact CD-O 3.5Å
259G82.7Confident92.5Very high4 Ų415.6 Ų15.64%0.0417%0.074CC..THydrogen-bonded Turntrans100.80.4174.200000115.7E99E99-G259 WeakPolarHBondContact CG-O 3.44Å
260Y85.5Confident92.4Very high16 Ų1618.4 Ų18.46%0.0639%0.093CC..SBendtrans-121.120173.6-55.6-86.1000111Y198 D253 Y264Y198-Y260 VanDerWaalsContact CB-CE1 3.46Å; Y198-Y260 HydrophobicContact CD1-CD1 4.45Å; Y198-Y260 AromaticContact CD1-CE1 3.99Å; Y198-Y260 HydrophobicContact CD1-CE1 3.99Å; Y198-Y260 AromaticContact CD2-CD1 3.31Å; Y198-Y260 HydrophobicContact CD2-CD1 3.31Å; Y198-Y260 AromaticContact CD2-CE1 3.41Å; Y198-Y260 HydrophobicContact CD2-CE1 3.41Å; Y198-Y260 VanDerWaalsContact CD2-CE1 3.41Å; Y198-Y260 AromaticContact CD2-CG 3.97Å; Y198-Y260 HydrophobicContact CD2-CG 3.97Å; Y198-Y260 AromaticContact CE2-CD1 3.67Å; Y198-Y260 HydrophobicContact CE2-CD1 3.67Å; Y198-Y260 HydrophobicContact CE2-CE1 4.13Å; Y198-Y260 HydrophobicContact CE2-CG 4.36Å; Y198-Y260 AromaticContact CG-CD1 3.76Å; Y198-Y260 HydrophobicContact CG-CD1 3.76Å; Y198-Y260 AromaticContact CG-CE1 3.32Å; Y198-Y260 HydrophobicContact CG-CE1 3.32Å; Y198-Y260 AromaticContact CG-CZ 3.98Å; D253-Y260 HydrophobicContact CB-CD2 4.39Å; D253-Y260 HydrophobicContact CB-CE2 3.43Å; D253-Y260 VanDerWaalsContact CB-CE2 3.43Å; D253-Y260 VanDerWaalsContact OD2-CE2 3.27Å; D253-Y260 WeakPolarHBondContact OD2-CE2 3.18Å; D253-Y260 PolarHBondContact OD2-OH 3.27Å; Y260-Y264 AromaticContact CD2-CD1 3.97Å; Y260-Y264 HydrophobicContact CD2-CD1 3.97Å; Y260-Y264 AromaticContact CD2-CE1 3.94Å; Y260-Y264 HydrophobicContact CD2-CE1 3.94Å; Y260-Y264 HydrophobicContact CG-CD1 4.02Å; Y260-Y264 HydrophobicContact CG-CE1 4.19Å; Y260-Y264 HydrophobicContact CG-CG 4.38Å; Y260-Y264 VanDerWaalsContact O-CB 3.23Å; Y260-Y264 WeakPolarHBondContact O-CB 3.25Å
261G85Confident92.3Very high7 Ų720.5 Ų20.57%0.07210%0.103CC..Hα-helixtrans92.5168.1-179.700000113N61 W62 R265N61-G261 CarbonylContact O-C 3.5Å; N61-G261 VanDerWaalsContact O-CA 3.25Å; N61-G261 WeakPolarHBondContact O-CA 3.46Å; W62-G261 VanDerWaalsContact CH2-N 3.34Å; G261-R265 WeakPolarHBondContact O-CB 3.19Å; G261-R265 PolarHBondContact O-N 3.22Å; G261-R265 VanDerWaalsContact O-N 3.08Å
262R86.7Confident92.3Very high27 Ų2720 Ų2010%0.10210%0.1CC..Hα-helixtrans-63.8-47.1-179.1-179-178.9-178.1102.45.5110.7D11 G39 D58 N61 Y264 R265 E266D11-R262 VanDerWaalsContact O-CZ 3.29Å; D11-R262 PolarHBondContact O-NH1 3.04Å; D11-R262 PolarHBondContact O-NH2 2.66Å; G39-R262 PolarHBondContact O-NE 3.49Å; G39-R262 PolarHBondContact O-NH1 3.22Å; G39-R262 PolarHBondContact O-NH2 3.08Å; D58-R262 VanDerWaalsContact CG-NH1 3.34Å; D58-R262 IonicContact OD1-NH1 2.69Å; D58-R262 PolarHBondContact OD1-NH1 2.83Å; D58-R262 WeakPolarHBondContact OD2-CD 3.49Å; D58-R262 IonicContact OD2-CZ 3.79Å; D58-R262 IonicContact OD2-NE 3.68Å; D58-R262 IonicContact OD2-NH1 2.78Å; D58-R262 PolarHBondContact OD2-NH1 3.03Å; N61-R262 WeakPolarHBondContact O-CB 3.27Å; N61-R262 PolarHBondContact O-N 3.48Å; N61-R262 PolarHBondContact OD1-N 3.09Å; R262-Y264 VanDerWaalsContact C-N 3.34Å; R262-Y264 PolarHBondContact O-N 3.28Å; R262-R265 CarbonylContact O-C 3.6Å; R262-R265 PolarHBondContact O-N 3.43Å; R262-E266 HydrophobicContact CG-CG 4.06Å; R262-E266 IonicContact CZ-OE1 2.82Å; R262-E266 VanDerWaalsContact CZ-OE1 3.24Å; R262-E266 IonicContact NE-OE1 2.63Å; R262-E266 PolarHBondContact NE-OE1 3.22Å; R262-E266 VanDerWaalsContact NE-OE1 3.13Å; R262-E266 IonicContact NE-OE2 3.24Å; R262-E266 IonicContact NH2-OE1 3.4Å; R262-E266 PolarHBondContact NH2-OE1 3.49Å; R262-E266 WeakPolarHBondContact O-CB 3.34Å; R262-E266 VanDerWaalsContact O-CG 3.29Å; R262-E266 WeakPolarHBondContact O-CG 3.32Å; R262-E266 PolarHBondContact O-N 2.91Å
263K90.8Very high92.3Very high82 Ų8220.4 Ų20.436%0.35710%0.104SC..Hα-helixtrans-52.6-52.5178-73.9176.9-172.6-175.60110.4N61 E190 D191 R265 E266 L267N61-K263 WeakPolarHBondContact OD1-CB 3.36Å; N61-K263 VanDerWaalsContact OD1-CG 3.26Å; N61-K263 WeakPolarHBondContact OD1-CG 3.27Å; N61-K263 PolarHBondContact OD1-N 3Å; E190-K263 HydrophobicContact CG-CD 4.49Å; E190-K263 WeakPolarHBondContact OE1-CB 3.31Å; D191-K263 IonicContact OD1-NZ 2.84Å; D191-K263 PolarHBondContact OD1-NZ 3.3Å; D191-K263 IonicContact OD2-NZ 3.84Å; D191-K263 PolarHBondContact OD2-NZ 2.81Å; K263-R265 PolarHBondContact O-N 3.12Å; K263-E266 PolarHBondContact O-N 2.87Å; K263-E266 VanDerWaalsContact O-N 3.16Å; K263-L267 WeakPolarHBondContact O-CG 3.27Å; K263-L267 PolarHBondContact O-N 3.24Å; K263-L267 VanDerWaalsContact O-N 3.12Å
264Y89.9Confident92.4Very high3 Ų322.3 Ų22.31%0.01212%0.115CC..Hα-helixtrans-59.8-45.4177.2-167.9-92.8000113.3T196 Y198 D253 Y254 R255 G256 S257 Y260 R262 E266 L267T196-Y264 WeakPolarHBondContact O-CE2 3.48Å; Y198-Y264 HydrophobicContact CD2-CE2 4.2Å; Y198-Y264 HydrophobicContact CE2-CE2 4.25Å; D253-Y264 PolarHBondContact O-OH 2.89Å; Y254-Y264 WeakPolarHBondContact O-CE1 3.24Å; R255-Y264 HydrophobicContact CG-CE2 3.99Å; R255-Y264 PolarHBondContact N-OH 2.82Å; G256-Y264 PolarHBondContact N-O 2.72Å; S257-Y264 WeakPolarHBondContact O-CD1 3.46Å; Y260-Y264 AromaticContact CD2-CD1 3.97Å; Y260-Y264 HydrophobicContact CD2-CD1 3.97Å; Y260-Y264 AromaticContact CD2-CE1 3.94Å; Y260-Y264 HydrophobicContact CD2-CE1 3.94Å; Y260-Y264 HydrophobicContact CG-CD1 4.02Å; Y260-Y264 HydrophobicContact CG-CE1 4.19Å; Y260-Y264 HydrophobicContact CG-CG 4.38Å; Y260-Y264 VanDerWaalsContact O-CB 3.23Å; Y260-Y264 WeakPolarHBondContact O-CB 3.25Å; R262-Y264 VanDerWaalsContact C-N 3.34Å; R262-Y264 PolarHBondContact O-N 3.28Å; Y264-E266 VanDerWaalsContact C-N 3.28Å; Y264-E266 PolarHBondContact O-N 3Å; Y264-L267 HydrophobicContact CD2-CD1 4.01Å; Y264-L267 HydrophobicContact CE2-CD1 4.45Å; Y264-L267 WeakPolarHBondContact O-CB 3.31Å; Y264-L267 PolarHBondContact O-N 2.99Å
265R90.3Very high92.4Very high7 Ų722.7 Ų22.73%0.02612%0.117CC..Hα-helixtrans-61.9-35.6175.9-173.1-175.660.673.9-2.2112.4W10 D11 T228 G256 G261 R262 K263 L267W10-R265 PolarHBondContact O-NH2 3Å; D11-R265 IonicContact OD1-CZ 3.91Å; D11-R265 IonicContact OD1-NH1 3.07Å; D11-R265 PolarHBondContact OD1-NH1 3.09Å; D11-R265 IonicContact OD1-NH2 3.54Å; T228-R265 HydrophobicContact CG2-CG 4.33Å; G256-R265 WeakPolarHBondContact CA-O 3.38Å; G256-R265 VanDerWaalsContact O-CG 3.31Å; G256-R265 WeakPolarHBondContact O-CG 3.5Å; G261-R265 WeakPolarHBondContact O-CB 3.19Å; G261-R265 PolarHBondContact O-N 3.22Å; G261-R265 VanDerWaalsContact O-N 3.08Å; R262-R265 CarbonylContact O-C 3.6Å; R262-R265 PolarHBondContact O-N 3.43Å; K263-R265 PolarHBondContact O-N 3.12Å; R265-L267 VanDerWaalsContact C-N 3.35Å
266E93.2Very high92.6Very high51 Ų5122.7 Ų22.724%0.23812%0.117CC..Hα-helixtrans-80.4-13.1-178.9-70.1-168.7142.600113.5R262 K263 Y264 L268 K269R262-E266 HydrophobicContact CG-CG 4.06Å; R262-E266 IonicContact CZ-OE1 2.82Å; R262-E266 VanDerWaalsContact CZ-OE1 3.24Å; R262-E266 IonicContact NE-OE1 2.63Å; R262-E266 PolarHBondContact NE-OE1 3.22Å; R262-E266 VanDerWaalsContact NE-OE1 3.13Å; R262-E266 IonicContact NE-OE2 3.24Å; R262-E266 IonicContact NH2-OE1 3.4Å; R262-E266 PolarHBondContact NH2-OE1 3.49Å; R262-E266 WeakPolarHBondContact O-CB 3.34Å; R262-E266 VanDerWaalsContact O-CG 3.29Å; R262-E266 WeakPolarHBondContact O-CG 3.32Å; R262-E266 PolarHBondContact O-N 2.91Å; K263-E266 PolarHBondContact O-N 2.87Å; K263-E266 VanDerWaalsContact O-N 3.16Å; Y264-E266 VanDerWaalsContact C-N 3.28Å; Y264-E266 PolarHBondContact O-N 3Å; E266-L268 PolarHBondContact O-N 3.22Å; E266-L268 VanDerWaalsContact O-N 3.12Å; E266-K269 HydrophobicContact CB-CD 4.3Å; E266-K269 VanDerWaalsContact CD-NZ 3.31Å; E266-K269 HydrophobicContact CG-CD 4.38Å; E266-K269 VanDerWaalsContact O-CB 3.31Å; E266-K269 WeakPolarHBondContact O-CB 3.39Å; E266-K269 WeakPolarHBondContact O-CG 3.02Å; E266-K269 PolarHBondContact O-N 2.93Å; E266-K269 WeakPolarHBondContact OE1-CE 3.16Å; E266-K269 IonicContact OE1-NZ 3.37Å; E266-K269 PolarHBondContact OE1-NZ 3.39Å
267L94.1Very high92.8Very high32 Ų3222.8 Ų22.817%0.16812%0.118CC..THydrogen-bonded Turntrans-57.1-26.5174.4-70.1174.3000112.9I195 R255 K263 Y264 R265 K269 Y275I195-L267 HydrophobicContact CD1-CD1 4.23Å; I195-L267 HydrophobicContact CD1-CD2 4.16Å; I195-L267 HydrophobicContact CG2-CD1 4.08Å; R255-L267 HydrophobicContact CB-CB 3.96Å; R255-L267 HydrophobicContact CB-CD1 4.2Å; R255-L267 HydrophobicContact CG-CB 4.44Å; R255-L267 HydrophobicContact CG-CD1 3.8Å; K263-L267 WeakPolarHBondContact O-CG 3.27Å; K263-L267 PolarHBondContact O-N 3.24Å; K263-L267 VanDerWaalsContact O-N 3.12Å; Y264-L267 HydrophobicContact CD2-CD1 4.01Å; Y264-L267 HydrophobicContact CE2-CD1 4.45Å; Y264-L267 WeakPolarHBondContact O-CB 3.31Å; Y264-L267 PolarHBondContact O-N 2.99Å; R265-L267 VanDerWaalsContact C-N 3.35Å; L267-K269 VanDerWaalsContact C-N 3.31Å; L267-Y275 WeakPolarHBondContact O-CD2 3.24Å; L267-Y275 WeakPolarHBondContact O-CE2 3.42Å
268L95.3Very high93.1Very high0 Ų022.9 Ų22.90%012%0.118CC..THydrogen-bonded Turntrans-78.1-12.1177.6-165.963000113.8P227 Y254 R255 G256 E266 S270 K271 L272 D276 L350P227-L268 HydrophobicContact CB-CD2 3.79Å; P227-L268 WeakPolarHBondContact O-CD2 3.48Å; Y254-L268 HydrophobicContact CE2-CD2 4.23Å; R255-L268 WeakPolarHBondContact O-CB 3.33Å; G256-L268 VanDerWaalsContact CA-CB 3.45Å; E266-L268 PolarHBondContact O-N 3.22Å; E266-L268 VanDerWaalsContact O-N 3.12Å; L268-S270 PolarHBondContact O-N 3.49Å; L268-K271 CarbonylContact O-C 3.58Å; L268-K271 WeakPolarHBondContact O-CA 3.47Å; L268-K271 PolarHBondContact O-N 3.19Å; L268-L272 HydrophobicContact CD1-CB 4.5Å; L268-L272 HydrophobicContact CD2-CD1 4.09Å; L268-L272 PolarHBondContact O-N 3.49Å; L268-D276 HydrophobicContact CD1-CB 3.98Å; L268-L350 HydrophobicContact CB-CD2 4.43Å; L268-L350 HydrophobicContact CD2-CD2 4.25Å; L268-L350 HydrophobicContact CG-CD2 4.2Å
269K94.9Very high93.6Very high76 Ų7622.3 Ų22.333%0.3311%0.114SC..THydrogen-bonded Turntrans-56.8130.9177.3-73.9-175.1179.7172.80110.2E266 L267 K271 N349E266-K269 HydrophobicContact CB-CD 4.3Å; E266-K269 VanDerWaalsContact CD-NZ 3.31Å; E266-K269 HydrophobicContact CG-CD 4.38Å; E266-K269 VanDerWaalsContact O-CB 3.31Å; E266-K269 WeakPolarHBondContact O-CB 3.39Å; E266-K269 WeakPolarHBondContact O-CG 3.02Å; E266-K269 PolarHBondContact O-N 2.93Å; E266-K269 WeakPolarHBondContact OE1-CE 3.16Å; E266-K269 IonicContact OE1-NZ 3.37Å; E266-K269 PolarHBondContact OE1-NZ 3.39Å; L267-K269 VanDerWaalsContact C-N 3.31Å; K269-K271 WeakPolarHBondContact O-CG 3.3Å; K269-K271 PolarHBondContact O-N 3.12Å; K269-N349 CarbonylContact C-O 3.6Å; K269-N349 VanDerWaalsContact CA-O 3.29Å; K269-N349 WeakPolarHBondContact CA-O 3.04Å
270S96Very high94.4Very high59 Ų5922.1 Ų22.141%0.41311%0.112SC..THydrogen-bonded Turntrans56.611.7-173.6-51.80000115.2L268 N349 L350 V351 R364L268-S270 PolarHBondContact O-N 3.49Å; S270-N349 PolarHBondContact N-O 2.89Å; S270-L350 CarbonylContact C-O 3.06Å; S270-L350 WeakPolarHBondContact CA-O 3.48Å; S270-L350 PolarHBondContact N-O 3.36Å; S270-V351 WeakPolarHBondContact CA-O 3.38Å; S270-R364 VanDerWaalsContact O-CZ 3.31Å; S270-R364 PolarHBondContact O-NH1 2.8Å; S270-R364 PolarHBondContact O-NH2 3.28Å
271K96.9Very high95Very high44 Ų4421.7 Ų21.719%0.19111%0.111CC..THydrogen-bonded Turntrans-128.38.8-173.1-63.3-67.8-172.4178.30113.8E187 L268 K269 G273 V274 Y275 L350E187-K271 IonicContact OE1-NZ 3.2Å; E187-K271 PolarHBondContact OE1-NZ 3.03Å; E187-K271 IonicContact OE2-NZ 2.79Å; E187-K271 PolarHBondContact OE2-NZ 3.43Å; L268-K271 CarbonylContact O-C 3.58Å; L268-K271 WeakPolarHBondContact O-CA 3.47Å; L268-K271 PolarHBondContact O-N 3.19Å; K269-K271 WeakPolarHBondContact O-CG 3.3Å; K269-K271 PolarHBondContact O-N 3.12Å; K271-G273 PolarHBondContact O-N 3.4Å; K271-V274 WeakPolarHBondContact O-CA 3.19Å; K271-V274 WeakPolarHBondContact O-CB 3.2Å; K271-V274 PolarHBondContact O-N 2.82Å; K271-Y275 HydrophobicContact CB-CD1 4.19Å; K271-Y275 HydrophobicContact CB-CD2 3.66Å; K271-Y275 HydrophobicContact CB-CE1 4.49Å; K271-Y275 HydrophobicContact CB-CE2 4Å; K271-Y275 HydrophobicContact CB-CG 3.76Å; K271-Y275 HydrophobicContact CD-CD1 4.32Å; K271-Y275 HydrophobicContact CD-CE1 3.86Å; K271-Y275 HydrophobicContact CD-CE2 4.15Å; K271-Y275 HydrophobicContact CG-CD1 4.4Å; K271-Y275 HydrophobicContact CG-CD2 3.86Å; K271-Y275 HydrophobicContact CG-CE1 4.19Å; K271-Y275 HydrophobicContact CG-CE2 3.63Å; K271-Y275 HydrophobicContact CG-CG 4.24Å; K271-Y275 PolarHBondContact O-N 3.38Å; K271-L350 PolarHBondContact N-O 3.04Å
272L97.8Very high95.6Very high2 Ų222 Ų221%0.0111%0.112CC..THydrogen-bonded Turntrans-57134.1168.8-174.985.6000110.6P227 L268 V274 D276 F308 L332 F347 L350 V351 R364P227-L272 HydrophobicContact CB-CD1 3.61Å; P227-L272 HydrophobicContact CG-CD1 4.33Å; L268-L272 HydrophobicContact CD1-CB 4.5Å; L268-L272 HydrophobicContact CD2-CD1 4.09Å; L268-L272 PolarHBondContact O-N 3.49Å; L272-V274 VanDerWaalsContact C-N 3.25Å; L272-D276 WeakPolarHBondContact CD1-OD2 3.49Å; L272-F308 HydrophobicContact CD2-CE1 4.23Å; L272-F308 HydrophobicContact CG-CD1 4.46Å; L272-F308 HydrophobicContact CG-CE1 3.9Å; L272-L332 HydrophobicContact CD2-CD2 4.18Å; L272-F347 HydrophobicContact CD2-CD1 3.57Å; L272-F347 HydrophobicContact CD2-CE1 3.59Å; L272-L350 HydrophobicContact CB-CB 3.97Å; L272-L350 VanDerWaalsContact CB-O 3.28Å; L272-L350 WeakPolarHBondContact CB-O 3.43Å; L272-L350 HydrophobicContact CD2-CB 4.38Å; L272-L350 PolarHBondContact N-O 3.15Å; L272-V351 HydrophobicContact CB-CG2 4.23Å; L272-V351 HydrophobicContact CD2-CG2 3.71Å; L272-R364 VanDerWaalsContact O-CD 3.31Å; L272-R364 WeakPolarHBondContact O-CD 3.26Å; L272-R364 PolarHBondContact O-NH1 3.04Å
273G97.8Very high96.2Very high8 Ų820.7 Ų20.78%0.08211%0.107CC..THydrogen-bonded Turntrans80.44.4-173.100000113.9K271 D276 F308K271-G273 PolarHBondContact O-N 3.4Å; G273-D276 VanDerWaalsContact CA-OD1 3.23Å; G273-D276 WeakPolarHBondContact CA-OD1 3.49Å; G273-D276 VanDerWaalsContact N-CG 3.34Å; G273-D276 PolarHBondContact N-OD1 3.34Å; G273-D276 PolarHBondContact N-OD2 3.04Å; G273-D276 VanDerWaalsContact N-OD2 3.11Å; G273-F308 VanDerWaalsContact CA-CE1 3.42Å
274V97.8Very high96.6Very high40 Ų4016.8 Ų16.824%0.2429%0.09CC..THydrogen-bonded Turntrans-124.2-65.3-179.9-172.50000109.5L185 K271 L272 D276 D278L185-V274 HydrophobicContact CD1-CG1 4.3Å; K271-V274 WeakPolarHBondContact O-CA 3.19Å; K271-V274 WeakPolarHBondContact O-CB 3.2Å; K271-V274 PolarHBondContact O-N 2.82Å; L272-V274 VanDerWaalsContact C-N 3.25Å; V274-D276 PolarHBondContact N-OD1 3.22Å; V274-D278 WeakPolarHBondContact O-CB 3.43Å; V274-D278 PolarHBondContact O-N 2.82Å
275Y97.6Very high97Very high8 Ų819.2 Ų19.23%0.03111%0.105CC..Hα-helixtrans-77.4-46.4-175.2-73.3-0.9000112.3R255 L267 K271 V277 D278 D279R255-Y275 HydrophobicContact CB-CD2 4.47Å; L267-Y275 WeakPolarHBondContact O-CD2 3.24Å; L267-Y275 WeakPolarHBondContact O-CE2 3.42Å; K271-Y275 HydrophobicContact CB-CD1 4.19Å; K271-Y275 HydrophobicContact CB-CD2 3.66Å; K271-Y275 HydrophobicContact CB-CE1 4.49Å; K271-Y275 HydrophobicContact CB-CE2 4Å; K271-Y275 HydrophobicContact CB-CG 3.76Å; K271-Y275 HydrophobicContact CD-CD1 4.32Å; K271-Y275 HydrophobicContact CD-CE1 3.86Å; K271-Y275 HydrophobicContact CD-CE2 4.15Å; K271-Y275 HydrophobicContact CG-CD1 4.4Å; K271-Y275 HydrophobicContact CG-CD2 3.86Å; K271-Y275 HydrophobicContact CG-CE1 4.19Å; K271-Y275 HydrophobicContact CG-CE2 3.63Å; K271-Y275 HydrophobicContact CG-CG 4.24Å; K271-Y275 PolarHBondContact O-N 3.38Å; Y275-V277 VanDerWaalsContact C-N 3.28Å; Y275-V277 PolarHBondContact O-N 3.06Å; Y275-D278 PolarHBondContact O-N 3.2Å; Y275-D279 VanDerWaalsContact O-CB 3.25Å; Y275-D279 WeakPolarHBondContact O-CB 3.3Å; Y275-D279 PolarHBondContact O-N 2.95Å; Y275-D279 VanDerWaalsContact O-OD1 3.09Å
276D98.3Very high97.4Very high0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-52.1-44.3171.753-10.6000113.2Y254 L268 L272 G273 V274 C280 V309Y254-D276 HydrophobicContact CD1-CB 4.47Å; Y254-D276 HydrophobicContact CD2-CB 3.71Å; Y254-D276 HydrophobicContact CE2-CB 3.99Å; Y254-D276 HydrophobicContact CG-CB 3.98Å; L268-D276 HydrophobicContact CD1-CB 3.98Å; L272-D276 WeakPolarHBondContact CD1-OD2 3.49Å; G273-D276 VanDerWaalsContact CA-OD1 3.23Å; G273-D276 WeakPolarHBondContact CA-OD1 3.49Å; G273-D276 VanDerWaalsContact N-CG 3.34Å; G273-D276 PolarHBondContact N-OD1 3.34Å; G273-D276 PolarHBondContact N-OD2 3.04Å; G273-D276 VanDerWaalsContact N-OD2 3.11Å; V274-D276 PolarHBondContact N-OD1 3.22Å; D276-C280 PolarHBondContact O-N 3.29Å; D276-C280 PolarHBondContact O-SG 3.37Å; D276-V309 HydrophobicContact CB-CG2 3.84Å; D276-V309 WeakPolarHBondContact OD2-CG2 3.07Å
277V98.6Very high97.7Very high2 Ų219.6 Ų19.61%0.01211%0.105CC..Hα-helixtrans-68-47.1175.6170.90000111.9Y275 D279 C281 V309 A312 K317Y275-V277 VanDerWaalsContact C-N 3.28Å; Y275-V277 PolarHBondContact O-N 3.06Å; V277-D279 VanDerWaalsContact C-N 3.3Å; V277-D279 PolarHBondContact O-N 3.27Å; V277-C281 WeakPolarHBondContact O-CB 3.17Å; V277-C281 PolarHBondContact O-N 2.79Å; V277-C281 VanDerWaalsContact O-N 3.13Å; V277-C281 PolarHBondContact O-SG 3.31Å; V277-V309 HydrophobicContact CG2-CG1 4.2Å; V277-A312 HydrophobicContact CG2-CB 3.51Å; V277-K317 HydrophobicContact CG1-CG 3.71Å
278D98.3Very high97.9Very high1 Ų118.9 Ų18.91%0.00510%0.104CC..Hα-helixtrans-59.5-44.2179-166.769.7000111.4A184 L185 R255 V274 Y275 C281 S282 K317A184-D278 PolarHBondContact N-OD2 2.66Å; L185-D278 HydrophobicContact CB-CB 4.45Å; L185-D278 WeakPolarHBondContact CB-OD2 3.4Å; L185-D278 HydrophobicContact CD1-CB 4.18Å; L185-D278 WeakPolarHBondContact CD1-OD1 3.36Å; L185-D278 VanDerWaalsContact CG-OD1 3.31Å; L185-D278 WeakPolarHBondContact CG-OD1 3.47Å; L185-D278 PolarHBondContact N-OD2 2.86Å; R255-D278 IonicContact NH2-OD2 2.71Å; R255-D278 PolarHBondContact NH2-OD2 2.92Å; V274-D278 WeakPolarHBondContact O-CB 3.43Å; V274-D278 PolarHBondContact O-N 2.82Å; Y275-D278 PolarHBondContact O-N 3.2Å; D278-C281 WeakPolarHBondContact O-CB 3.32Å; D278-C281 PolarHBondContact O-N 2.97Å; D278-S282 WeakPolarHBondContact O-CB 3.27Å; D278-S282 PolarHBondContact O-N 2.83Å; D278-S282 PolarHBondContact O-OG 2.8Å; D278-K317 IonicContact OD1-NZ 2.66Å; D278-K317 PolarHBondContact OD1-NZ 3.16Å
279D98.5Very high98Very high0 Ų026.1 Ų26.10%014%0.138CC..Hα-helixtrans-68.6-42.4-174.6-67.1-1000111.8F181 I197 R255 Y275 V277 C281 S282 G283F181-D279 WeakPolarHBondContact CE2-O 3.07Å; I197-D279 HydrophobicContact CD1-CB 3.72Å; I197-D279 VanDerWaalsContact CD1-CG 3.43Å; I197-D279 WeakPolarHBondContact CD1-OD1 3.49Å; I197-D279 HydrophobicContact CG1-CB 4.2Å; I197-D279 HydrophobicContact CG2-CB 3.98Å; R255-D279 WeakPolarHBondContact CB-OD2 3.1Å; R255-D279 WeakPolarHBondContact CG-OD2 2.77Å; R255-D279 IonicContact CZ-OD1 3.32Å; R255-D279 IonicContact CZ-OD2 2.67Å; R255-D279 PolarHBondContact N-OD2 3.4Å; R255-D279 VanDerWaalsContact NE-CG 3.34Å; R255-D279 IonicContact NE-OD1 3.95Å; R255-D279 PolarHBondContact NE-OD1 3.36Å; R255-D279 IonicContact NE-OD2 3.65Å; R255-D279 PolarHBondContact NE-OD2 3.32Å; R255-D279 IonicContact NH2-OD1 3.24Å; R255-D279 PolarHBondContact NH2-OD1 3.12Å; Y275-D279 VanDerWaalsContact O-CB 3.25Å; Y275-D279 WeakPolarHBondContact O-CB 3.3Å; Y275-D279 PolarHBondContact O-N 2.95Å; Y275-D279 VanDerWaalsContact O-OD1 3.09Å; V277-D279 VanDerWaalsContact C-N 3.3Å; V277-D279 PolarHBondContact O-N 3.27Å; D279-C281 VanDerWaalsContact C-N 3.31Å; D279-C281 PolarHBondContact O-N 3.34Å; D279-S282 PolarHBondContact O-N 2.83Å; D279-G283 PolarHBondContact O-N 3.43Å
280C98.8Very high98.1Very high0 Ų028 Ų280%015%0.148CC..Hα-helixtrans-62.5-40173.6-67.70000111.7V221 D276 A284 I300 V309V221-C280 HydrophobicContact CG1-CB 4.11Å; D276-C280 PolarHBondContact O-N 3.29Å; D276-C280 PolarHBondContact O-SG 3.37Å; C280-A284 PolarHBondContact O-N 2.8Å; C280-I300 HydrophobicContact CB-CD1 4.11Å; C280-V309 HydrophobicContact CB-CG1 4.25Å
281C98.7Very high98.2Very high6 Ų627 Ų274%0.04115%0.146CC..Hα-helixtrans-66.9-46176.5-710000111.9V277 D278 D279 G283 A284 V285 V319V277-C281 WeakPolarHBondContact O-CB 3.17Å; V277-C281 PolarHBondContact O-N 2.79Å; V277-C281 VanDerWaalsContact O-N 3.13Å; V277-C281 PolarHBondContact O-SG 3.31Å; D278-C281 WeakPolarHBondContact O-CB 3.32Å; D278-C281 PolarHBondContact O-N 2.97Å; D279-C281 VanDerWaalsContact C-N 3.31Å; D279-C281 PolarHBondContact O-N 3.34Å; C281-G283 VanDerWaalsContact C-N 3.34Å; C281-G283 PolarHBondContact O-N 3.32Å; C281-A284 WeakPolarHBondContact O-CB 3.09Å; C281-A284 PolarHBondContact O-N 2.79Å; C281-V285 WeakPolarHBondContact O-CG2 3.26Å; C281-V285 PolarHBondContact O-N 2.59Å; C281-V319 HydrophobicContact CB-CB 4.41Å; C281-V319 HydrophobicContact CB-CG1 4.49Å; C281-V319 HydrophobicContact CB-CG2 3.98Å
282S98.5Very high98.2Very high13 Ų1328 Ų289%0.09115%0.151CC..Hα-helixtrans-62.3-40.3179.3-72.10000111.9A184 D278 D279 A284 V285 Y286A184-S282 WeakPolarHBondContact CB-OG 3.49Å; A184-S282 PolarHBondContact N-OG 3.27Å; D278-S282 WeakPolarHBondContact O-CB 3.27Å; D278-S282 PolarHBondContact O-N 2.83Å; D278-S282 PolarHBondContact O-OG 2.8Å; D279-S282 PolarHBondContact O-N 2.83Å; S282-A284 VanDerWaalsContact C-N 3.32Å; S282-A284 PolarHBondContact O-N 3.47Å; S282-V285 PolarHBondContact O-N 2.77Å; S282-Y286 WeakPolarHBondContact O-CB 3.32Å; S282-Y286 PolarHBondContact O-N 3.1Å
283G98.6Very high98.2Very high0 Ų027.9 Ų27.90%015%0.15CC..Hα-helixtrans-62.2-39.8175.700000112.7F181 D279 C281 L287F181-G283 VanDerWaalsContact CZ-CA 3.49Å; D279-G283 PolarHBondContact O-N 3.43Å; C281-G283 VanDerWaalsContact C-N 3.34Å; C281-G283 PolarHBondContact O-N 3.32Å; G283-L287 WeakPolarHBondContact O-CG 3.43Å; G283-L287 PolarHBondContact O-N 2.83Å
284A98.8Very high98.2Very high0 Ų029.2 Ų29.20%016%0.156CC..Hα-helixtrans-64.8-47.6175.900000112L219 V221 C280 C281 S282 A288 L298 V319 F320L219-A284 HydrophobicContact CD2-CB 4.17Å; V221-A284 HydrophobicContact CG2-CB 3.88Å; C280-A284 PolarHBondContact O-N 2.8Å; C281-A284 WeakPolarHBondContact O-CB 3.09Å; C281-A284 PolarHBondContact O-N 2.79Å; S282-A284 VanDerWaalsContact C-N 3.32Å; S282-A284 PolarHBondContact O-N 3.47Å; A284-A288 PolarHBondContact O-N 2.86Å; A284-L298 HydrophobicContact CB-CD1 4.12Å; A284-V319 HydrophobicContact CB-CG1 4Å; A284-F320 HydrophobicContact CB-CE1 3.71Å; A284-F320 HydrophobicContact CB-CZ 4.06Å
285V98.6Very high98.2Very high54 Ų5430.6 Ų30.633%0.32717%0.165SC..Hα-helixtrans-64-45.8179.3172.50000110.7C281 S282 L287 A288 E289 V319C281-V285 WeakPolarHBondContact O-CG2 3.26Å; C281-V285 PolarHBondContact O-N 2.59Å; S282-V285 PolarHBondContact O-N 2.77Å; V285-L287 PolarHBondContact O-N 3.19Å; V285-A288 WeakPolarHBondContact O-CB 3.22Å; V285-A288 PolarHBondContact O-N 3.46Å; V285-A288 VanDerWaalsContact O-N 3.11Å; V285-E289 HydrophobicContact CG1-CG 4.18Å; V285-E289 WeakPolarHBondContact O-CG 3.22Å; V285-E289 PolarHBondContact O-N 2.95Å; V285-V319 HydrophobicContact CG2-CG1 4.01Å; V285-V319 HydrophobicContact CG2-CG2 4.29Å
286Y98.5Very high98.2Very high66 Ų6635.9 Ų35.926%0.25919%0.194SC..Hα-helixtrans-55.7-48.9178.5173.9-103.9000112.1F181 S282 A288 E289 E290F181-Y286 HydrophobicContact CB-CD1 3.62Å; F181-Y286 HydrophobicContact CB-CD2 3.99Å; F181-Y286 HydrophobicContact CB-CE1 4.02Å; F181-Y286 HydrophobicContact CB-CE2 4.37Å; F181-Y286 HydrophobicContact CB-CG 3.61Å; F181-Y286 HydrophobicContact CD1-CD1 4.47Å; F181-Y286 HydrophobicContact CG-CD1 4.25Å; F181-Y286 HydrophobicContact CG-CG 4.39Å; S282-Y286 WeakPolarHBondContact O-CB 3.32Å; S282-Y286 PolarHBondContact O-N 3.1Å; Y286-A288 VanDerWaalsContact C-N 3.29Å; Y286-A288 PolarHBondContact O-N 2.73Å; Y286-E289 PolarHBondContact O-N 3.46Å; Y286-E290 HydrophobicContact CD2-CG 4.43Å; Y286-E290 HydrophobicContact CE1-CG 4.21Å; Y286-E290 HydrophobicContact CE2-CG 3.99Å; Y286-E290 WeakPolarHBondContact O-CG 3.46Å; Y286-E290 PolarHBondContact O-N 2.64Å
287L98.7Very high98.2Very high0 Ų038.4 Ų38.40%021%0.206CC..Hα-helixtrans-65-33.2178.3-72174000113I179 F201 L219 L250 G283 V285 G291 K292 V293I179-L287 HydrophobicContact CD1-CD1 4.42Å; I179-L287 HydrophobicContact CD1-CD2 3.97Å; I179-L287 HydrophobicContact CD1-CG 4.29Å; F201-L287 HydrophobicContact CD2-CD1 3.51Å; F201-L287 HydrophobicContact CD2-CD2 3.9Å; F201-L287 HydrophobicContact CD2-CG 4.38Å; F201-L287 HydrophobicContact CE2-CD1 3.71Å; F201-L287 HydrophobicContact CE2-CD2 4.05Å; F201-L287 HydrophobicContact CE2-CG 4.48Å; F201-L287 HydrophobicContact CG-CD1 4.49Å; F201-L287 HydrophobicContact CG-CD2 4.23Å; L219-L287 HydrophobicContact CD1-CD1 4.15Å; L219-L287 HydrophobicContact CD2-CB 4.46Å; L219-L287 HydrophobicContact CD2-CD1 3.89Å; L250-L287 HydrophobicContact CB-CD1 3.87Å; L250-L287 HydrophobicContact CD1-CD1 4.3Å; L250-L287 HydrophobicContact CD2-CD1 3.76Å; L250-L287 HydrophobicContact CG-CD1 4.17Å; G283-L287 WeakPolarHBondContact O-CG 3.43Å; G283-L287 PolarHBondContact O-N 2.83Å; V285-L287 PolarHBondContact O-N 3.19Å; L287-G291 PolarHBondContact O-N 3.43Å; L287-K292 HydrophobicContact CD2-CB 4.33Å; L287-K292 HydrophobicContact CD2-CD 3.75Å; L287-K292 PolarHBondContact O-N 3.49Å; L287-V293 HydrophobicContact CB-CG1 4.47Å; L287-V293 HydrophobicContact CB-CG2 3.88Å
288A98.4Very high98.2Very high18 Ų1838.6 Ų38.615%0.14921%0.207CC..Hα-helixtrans-71.2-40.5176.500000111.6A284 V285 Y286 G291 V293 P295A284-A288 PolarHBondContact O-N 2.86Å; V285-A288 WeakPolarHBondContact O-CB 3.22Å; V285-A288 PolarHBondContact O-N 3.46Å; V285-A288 VanDerWaalsContact O-N 3.11Å; Y286-A288 VanDerWaalsContact C-N 3.29Å; Y286-A288 PolarHBondContact O-N 2.73Å; A288-G291 WeakPolarHBondContact O-CA 3.46Å; A288-G291 PolarHBondContact O-N 3.37Å; A288-V293 HydrophobicContact CB-CG2 4.04Å; A288-P295 HydrophobicContact CB-CB 3.99Å
289E98.1Very high98.2Very high152 Ų15238.6 Ų38.671%0.7121%0.207SC*.Hα-helixtrans-66.4-36.6176.2-72.2179.5165.100112.4V285 Y286 G291V285-E289 HydrophobicContact CG1-CG 4.18Å; V285-E289 WeakPolarHBondContact O-CG 3.22Å; V285-E289 PolarHBondContact O-N 2.95Å; Y286-E289 PolarHBondContact O-N 3.46Å; E289-G291 PolarHBondContact O-N 2.82Å
290E97.7Very high98.2Very high115 Ų11538.6 Ų38.654%0.53721%0.207SC..THydrogen-bonded Turntrans-69.7-4.9171-71.7-68.3125.800113Y286 K292Y286-E290 HydrophobicContact CD2-CG 4.43Å; Y286-E290 HydrophobicContact CE1-CG 4.21Å; Y286-E290 HydrophobicContact CE2-CG 3.99Å; Y286-E290 WeakPolarHBondContact O-CG 3.46Å; Y286-E290 PolarHBondContact O-N 2.64Å; E290-K292 VanDerWaalsContact C-N 3.25Å; E290-K292 HydrophobicContact CB-CG 4.25Å; E290-K292 PolarHBondContact O-N 3.01Å
291G97.2Very high98.2Very high37 Ų3738.9 Ų38.938%0.38121%0.209SC..THydrogen-bonded Turntrans67.823.3-178.900000113.6L216 L287 A288 E289L216-G291 WeakPolarHBondContact CD2-O 3.14Å; L287-G291 PolarHBondContact O-N 3.43Å; A288-G291 WeakPolarHBondContact O-CA 3.46Å; A288-G291 PolarHBondContact O-N 3.37Å; E289-G291 PolarHBondContact O-N 2.82Å
292K97.3Very high98.2Very high66 Ų6638.8 Ų38.829%0.28721%0.209SC..SBendtrans-82.4-23.7177-70.2-171.6173-171.10112.5E177 F201 P217 L287 E290E177-K292 IonicContact OE1-NZ 3.79Å; E177-K292 PolarHBondContact OE1-NZ 3.29Å; E177-K292 IonicContact OE2-NZ 3.99Å; E177-K292 PolarHBondContact OE2-NZ 2.87Å; F201-K292 HydrophobicContact CD1-CD 4.41Å; F201-K292 HydrophobicContact CE1-CD 3.95Å; F201-K292 HydrophobicContact CZ-CB 4.18Å; F201-K292 HydrophobicContact CZ-CD 4.29Å; P217-K292 WeakPolarHBondContact CD-O 3.45Å; L287-K292 HydrophobicContact CD2-CB 4.33Å; L287-K292 HydrophobicContact CD2-CD 3.75Å; L287-K292 PolarHBondContact O-N 3.49Å; E290-K292 VanDerWaalsContact C-N 3.25Å; E290-K292 HydrophobicContact CB-CG 4.25Å; E290-K292 PolarHBondContact O-N 3.01Å
293V98.2Very high98.1Very high0 Ų042.8 Ų42.80%022%0.223CC..SBendtrans-143.3159.6-175.1-57.80000112F201 L216 P217 L219 A248 L287 A288 P295 L298F201-V293 HydrophobicContact CE2-CG1 4.18Å; F201-V293 HydrophobicContact CZ-CG1 4.41Å; L216-V293 WeakPolarHBondContact CD1-O 3.38Å; P217-V293 HydrophobicContact CG-CG1 4.41Å; P217-V293 WeakPolarHBondContact O-CA 3.39Å; L219-V293 HydrophobicContact CB-CB 3.99Å; L219-V293 HydrophobicContact CB-CG1 3.95Å; L219-V293 HydrophobicContact CB-CG2 4.1Å; L219-V293 HydrophobicContact CD1-CG1 4.17Å; L219-V293 HydrophobicContact CD2-CG1 4.49Å; L219-V293 HydrophobicContact CD2-CG2 4.1Å; L219-V293 HydrophobicContact CG-CG1 4.41Å; A248-V293 HydrophobicContact CB-CG1 3.78Å; L287-V293 HydrophobicContact CB-CG1 4.47Å; L287-V293 HydrophobicContact CB-CG2 3.88Å; A288-V293 HydrophobicContact CB-CG2 4.04Å; V293-P295 WeakPolarHBondContact O-CD 3.2Å; V293-L298 HydrophobicContact CG2-CD2 3.92Å
294D97.7Very high98Very high36 Ų3643.7 Ų43.719%0.19323%0.229CC..  trans-75.8118.4177.4-171-29.3000110.8L216 P217 N296 M297 L298L216-D294 HydrophobicContact CB-CB 4.06Å; P217-D294 PolarHBondContact O-N 2.91Å; D294-N296 PolarHBondContact O-N 3.1Å; D294-N296 VanDerWaalsContact O-N 3.07Å; D294-N296 WeakPolarHBondContact OD1-CB 3.25Å; D294-N296 PolarHBondContact OD1-N 2.91Å; D294-N296 PolarHBondContact OD1-ND2 3.21Å; D294-N296 VanDerWaalsContact OD1-ND2 3.07Å; D294-M297 HydrophobicContact CB-CB 4.17Å; D294-M297 HydrophobicContact CB-CG 4.25Å; D294-M297 PolarHBondContact O-N 2.89Å; D294-L298 WeakPolarHBondContact O-CD2 3.35Å
295P97.8Very high97.9Very high69 Ų6943.9 Ų43.945%0.44823%0.23SC..THydrogen-bonded Turntrans-60.4-18.2179.622.9-33.1000114.3A288 V293A288-P295 HydrophobicContact CB-CB 3.99Å; V293-P295 WeakPolarHBondContact O-CD 3.2Å
296N97.4Very high97.8Very high118 Ų11841.3 Ų41.363%0.63122%0.215SC*.THydrogen-bonded Turntrans-92.4-7.2179.3-53-73.8000112.9D294 S321D294-N296 PolarHBondContact O-N 3.1Å; D294-N296 VanDerWaalsContact O-N 3.07Å; D294-N296 WeakPolarHBondContact OD1-CB 3.25Å; D294-N296 PolarHBondContact OD1-N 2.91Å; D294-N296 PolarHBondContact OD1-ND2 3.21Å; D294-N296 VanDerWaalsContact OD1-ND2 3.07Å; N296-S321 PolarHBondContact O-OG 2.97Å
297M97.7Very high97.8Very high53 Ų5338.2 Ų38.226%0.26120%0.203SC..  trans-122.245.1-175.8-58.9-169.2-177.700112.1P218 L219 D294 L440 I442P218-M297 WeakPolarHBondContact CA-O 3.34Å; P218-M297 HydrophobicContact CB-CB 3.71Å; P218-M297 HydrophobicContact CB-SD 4.19Å; L219-M297 PolarHBondContact N-O 2.67Å; D294-M297 HydrophobicContact CB-CB 4.17Å; D294-M297 HydrophobicContact CB-CG 4.25Å; D294-M297 PolarHBondContact O-N 2.89Å; M297-L440 HydrophobicContact CB-CD1 4.06Å; M297-L440 HydrophobicContact CB-CD2 4.16Å; M297-L440 HydrophobicContact CG-CD1 4.49Å; M297-L440 HydrophobicContact CG-CD2 4.32Å; M297-I442 HydrophobicContact SD-CD1 4.44Å
298L98.7Very high97.8Very high7 Ų738.2 Ų38.24%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-91.3118.6177.7-51.9-179.3000109.8L219 A284 V293 D294 V319 F320 S321L219-L298 HydrophobicContact CB-CD2 3.81Å; L219-L298 HydrophobicContact CD2-CD2 4.09Å; A284-L298 HydrophobicContact CB-CD1 4.12Å; V293-L298 HydrophobicContact CG2-CD2 3.92Å; D294-L298 WeakPolarHBondContact O-CD2 3.35Å; L298-V319 HydrophobicContact CD1-CG1 4.08Å; L298-F320 HydrophobicContact CB-CD1 4Å; L298-F320 CarbonylContact O-C 3.58Å; L298-F320 WeakPolarHBondContact O-CA 3.38Å; L298-S321 PolarHBondContact O-N 2.77Å
299C98.8Very high97.8Very high0 Ų037.4 Ų37.40%020%0.196CC..EExtended strand (participates in β ladder)trans-115152177.3-66.80000110.2L219 L220 V221 A322 F436L219-C299 PolarHBondContact O-N 2.99Å; L220-C299 HydrophobicContact CD1-CB 4.11Å; V221-C299 PolarHBondContact N-O 3.44Å; C299-A322 WeakPolarHBondContact CA-O 3.44Å; C299-F436 HydrophobicContact CB-CD1 3.72Å; C299-F436 HydrophobicContact CB-CE1 3.56Å; C299-F436 HydrophobicContact CB-CE2 4.5Å; C299-F436 HydrophobicContact CB-CG 4.28Å; C299-F436 HydrophobicContact CB-CZ 3.98Å; C299-F436 VanDerWaalsContact SG-CD1 3.51Å
300I98.9Very high97.9Very high0 Ų030.2 Ų30.20%016%0.162CC..EExtended strand (participates in β ladder)trans-127136173.3-169.4172.9000111.2V221 C280 V309 V310 F320 A322 G323 V324V221-I300 HydrophobicContact CB-CG1 4.28Å; V221-I300 HydrophobicContact CG1-CG1 4.4Å; V221-I300 CarbonylContact O-C 3.58Å; V221-I300 WeakPolarHBondContact O-CA 3.47Å; C280-I300 HydrophobicContact CB-CD1 4.11Å; I300-V309 HydrophobicContact CD1-CG1 4.37Å; I300-V310 HydrophobicContact CD1-CG2 4.35Å; I300-V310 HydrophobicContact CG1-CG2 3.92Å; I300-V310 HydrophobicContact CG2-CB 4.41Å; I300-V310 HydrophobicContact CG2-CG1 4.11Å; I300-V310 HydrophobicContact CG2-CG2 4.22Å; I300-F320 HydrophobicContact CB-CD1 3.79Å; I300-F320 HydrophobicContact CB-CD2 3.89Å; I300-F320 HydrophobicContact CB-CE1 3.87Å; I300-F320 HydrophobicContact CB-CE2 3.97Å; I300-F320 HydrophobicContact CB-CG 3.8Å; I300-F320 HydrophobicContact CB-CZ 3.96Å; I300-F320 HydrophobicContact CD1-CD2 4.21Å; I300-F320 HydrophobicContact CD1-CE2 3.6Å; I300-F320 HydrophobicContact CD1-CZ 3.82Å; I300-F320 HydrophobicContact CG1-CE2 4.29Å; I300-F320 HydrophobicContact CG1-CZ 4.23Å; I300-F320 HydrophobicContact CG2-CB 4.02Å; I300-F320 HydrophobicContact CG2-CD1 4.19Å; I300-F320 HydrophobicContact CG2-CD2 3.67Å; I300-F320 HydrophobicContact CG2-CE2 4.16Å; I300-F320 HydrophobicContact CG2-CG 3.68Å; I300-A322 PolarHBondContact N-O 2.77Å; I300-A322 VanDerWaalsContact N-O 3.11Å; I300-G323 CarbonylContact O-C 3.59Å; I300-G323 WeakPolarHBondContact O-CA 3.26Å; I300-V324 PolarHBondContact O-N 2.97Å
301S98.8Very high97.9Very high6 Ų624.7 Ų24.74%0.04214%0.137CC..EExtended strand (participates in β ladder)trans-132.8147.1173.4-178.60000110.5V221 L222 A223 V324 E432V221-S301 PolarHBondContact O-N 3.05Å; L222-S301 WeakPolarHBondContact CA-O 3.24Å; A223-S301 PolarHBondContact N-O 2.72Å; S301-V324 WeakPolarHBondContact CA-O 3.37Å; S301-E432 WeakPolarHBondContact CB-OE1 3.27Å; S301-E432 PolarHBondContact OG-OE1 3.47Å
302G98.2Very high98Very high4 Ų423 Ų234%0.04112%0.118CC..EExtended strand (participates in β ladder)trans-162.8152.6-175.700000112.5A223 G307 V324 H326A223-G302 WeakPolarHBondContact O-CA 3.34Å; G302-G307 VanDerWaalsContact C-N 3.33Å; G302-V324 PolarHBondContact N-O 3.45Å; G302-H326 PolarHBondContact O-N 2.81Å
303R96.4Very high98.1Very high98 Ų9819.9 Ų19.937%0.3711%0.105SC..EExtended strand (participates in β ladder)trans-116.5141.9-178.462.216864.7179.7-5.2111.5G225 A305 G306 G307 H326 Y327G225-R303 WeakPolarHBondContact CA-O 3.16Å; G225-R303 PolarHBondContact N-O 2.77Å; R303-A305 PolarHBondContact O-N 2.81Å; R303-G306 WeakPolarHBondContact O-CA 3.23Å; R303-G306 PolarHBondContact O-N 3.33Å; R303-G307 PolarHBondContact O-N 3.01Å; R303-H326 CarbonylContact C-O 3.59Å; R303-H326 VanDerWaalsContact CA-O 3.26Å; R303-H326 WeakPolarHBondContact CA-O 3.37Å; R303-H326 HydrophobicContact CB-CB 4.11Å; R303-Y327 HydrophobicContact CB-CE2 3.7Å
304S95.9Very high98.1Very high19 Ų1920.3 Ų20.313%0.13311%0.108CC..THydrogen-bonded Turntrans54.5-122.7177.5-173.10000110.8G306 G307 F308 H326 Y327 G328 H417S304-G306 PolarHBondContact O-N 3.28Å; S304-G307 WeakPolarHBondContact O-CA 3.27Å; S304-G307 PolarHBondContact O-N 2.76Å; S304-F308 PolarHBondContact O-N 3.41Å; S304-H326 PolarHBondContact N-O 3.07Å; S304-Y327 WeakPolarHBondContact CA-O 3.31Å; S304-G328 VanDerWaalsContact O-CA 3.25Å; S304-G328 WeakPolarHBondContact O-CA 3.06Å; S304-H417 VanDerWaalsContact CB-NE2 3.26Å; S304-H417 WeakPolarHBondContact CB-NE2 3.21Å; S304-H417 PolarHBondContact OG-CE1 3.04Å; S304-H417 PolarHBondContact OG-NE2 3.4Å
305A96.5Very high98.1Very high4 Ų418.9 Ų18.93%0.03310%0.1CC..Hα-helixtrans-55-33.3171.300000114.2P227 R303 G307 F308 V309P227-A305 HydrophobicContact CB-CB 4.15Å; P227-A305 HydrophobicContact CG-CB 4.14Å; R303-A305 PolarHBondContact O-N 2.81Å; A305-G307 VanDerWaalsContact C-N 3.27Å; A305-G307 PolarHBondContact O-N 2.98Å; A305-F308 WeakPolarHBondContact O-CA 3.4Å; A305-F308 VanDerWaalsContact O-CB 3.24Å; A305-F308 WeakPolarHBondContact O-CB 3.48Å; A305-F308 PolarHBondContact O-N 3.16Å; A305-V309 PolarHBondContact O-N 2.98Å
306G97.9Very high98.1Very high0 Ų018.6 Ų18.60%09%0.092CC..Hα-helixtrans-66.5-29.717200000112.8A223 H224 R303 S304 F308 V309 V310A223-G306 WeakPolarHBondContact O-CA 3.44Å; H224-G306 WeakPolarHBondContact O-CA 3.35Å; H224-G306 PolarHBondContact O-N 3.18Å; R303-G306 WeakPolarHBondContact O-CA 3.23Å; R303-G306 PolarHBondContact O-N 3.33Å; S304-G306 PolarHBondContact O-N 3.28Å; G306-F308 VanDerWaalsContact C-N 3.28Å; G306-V309 WeakPolarHBondContact O-CB 3.43Å; G306-V309 PolarHBondContact O-N 2.74Å; G306-V310 WeakPolarHBondContact O-CG2 3.31Å; G306-V310 PolarHBondContact O-N 2.84Å
307G98.2Very high98.1Very high0 Ų016 Ų160%08%0.076CC..Hα-helixtrans-69.6-27.5171.500000112.3G302 R303 S304 A305 V310 L311 C325G302-G307 VanDerWaalsContact C-N 3.33Å; R303-G307 PolarHBondContact O-N 3.01Å; S304-G307 WeakPolarHBondContact O-CA 3.27Å; S304-G307 PolarHBondContact O-N 2.76Å; A305-G307 VanDerWaalsContact C-N 3.27Å; A305-G307 PolarHBondContact O-N 2.98Å; G307-V310 WeakPolarHBondContact O-CB 3.47Å; G307-L311 WeakPolarHBondContact O-CG 3.46Å; G307-L311 PolarHBondContact O-N 2.85Å; G307-C325 PolarHBondContact O-SG 3.18Å
308F98.6Very high98.1Very high1 Ų120.2 Ų20.20%0.00410%0.099CC..Hα-helixtrans-68.1-43.5166.6165-94.6000111.9L272 G273 S304 A305 G306 V310 L311 A312 I329 L332 R364 P366L272-F308 HydrophobicContact CD2-CE1 4.23Å; L272-F308 HydrophobicContact CG-CD1 4.46Å; L272-F308 HydrophobicContact CG-CE1 3.9Å; G273-F308 VanDerWaalsContact CA-CE1 3.42Å; S304-F308 PolarHBondContact O-N 3.41Å; A305-F308 WeakPolarHBondContact O-CA 3.4Å; A305-F308 VanDerWaalsContact O-CB 3.24Å; A305-F308 WeakPolarHBondContact O-CB 3.48Å; A305-F308 PolarHBondContact O-N 3.16Å; G306-F308 VanDerWaalsContact C-N 3.28Å; F308-V310 VanDerWaalsContact C-N 3.26Å; F308-V310 PolarHBondContact O-N 3.31Å; F308-L311 PolarHBondContact O-N 2.99Å; F308-L311 VanDerWaalsContact O-N 3.16Å; F308-A312 HydrophobicContact CE1-CB 4.45Å; F308-A312 HydrophobicContact CZ-CB 4.35Å; F308-A312 VanDerWaalsContact O-CB 3.24Å; F308-A312 WeakPolarHBondContact O-CB 3.39Å; F308-A312 PolarHBondContact O-N 3.07Å; F308-I329 WeakPolarHBondContact CA-O 3.49Å; F308-I329 HydrophobicContact CB-CB 3.98Å; F308-I329 WeakPolarHBondContact CB-O 3.04Å; F308-I329 HydrophobicContact CD2-CB 4.49Å; F308-L332 HydrophobicContact CD2-CD2 4.21Å; F308-L332 HydrophobicContact CD2-CG 4.4Å; F308-L332 HydrophobicContact CE2-CD1 3.74Å; F308-L332 HydrophobicContact CE2-CD2 3.91Å; F308-L332 HydrophobicContact CE2-CG 3.77Å; F308-L332 HydrophobicContact CZ-CD1 3.85Å; F308-L332 HydrophobicContact CZ-CD2 4.31Å; F308-L332 HydrophobicContact CZ-CG 4.31Å; F308-R364 VanDerWaalsContact CE2-O 3.24Å; F308-R364 WeakPolarHBondContact CE2-O 3.44Å; F308-R364 WeakPolarHBondContact CZ-O 3.06Å; F308-P366 HydrophobicContact CD2-CG 4.27Å; F308-P366 HydrophobicContact CE2-CG 4.22Å
309V98.7Very high98Very high1 Ų121.5 Ų21.51%0.00611%0.107CC..Hα-helixtrans-57.5-40.8174.1179.50000111.1A223 D276 V277 C280 I300 A305 G306 S313A223-V309 HydrophobicContact CB-CB 3.93Å; A223-V309 HydrophobicContact CB-CG1 3.95Å; D276-V309 HydrophobicContact CB-CG2 3.84Å; D276-V309 WeakPolarHBondContact OD2-CG2 3.07Å; V277-V309 HydrophobicContact CG2-CG1 4.2Å; C280-V309 HydrophobicContact CB-CG1 4.25Å; I300-V309 HydrophobicContact CD1-CG1 4.37Å; A305-V309 PolarHBondContact O-N 2.98Å; G306-V309 WeakPolarHBondContact O-CB 3.43Å; G306-V309 PolarHBondContact O-N 2.74Å; V309-S313 WeakPolarHBondContact O-CB 3.24Å; V309-S313 PolarHBondContact O-N 3.11Å; V309-S313 PolarHBondContact O-OG 2.88Å
310V98.8Very high98Very high0 Ų022 Ų220%011%0.109CC..Hα-helixtrans-55.2-58172.1168.30000110.8I300 G306 G307 F308 A312 S313 L314 V324 C325I300-V310 HydrophobicContact CD1-CG2 4.35Å; I300-V310 HydrophobicContact CG1-CG2 3.92Å; I300-V310 HydrophobicContact CG2-CB 4.41Å; I300-V310 HydrophobicContact CG2-CG1 4.11Å; I300-V310 HydrophobicContact CG2-CG2 4.22Å; G306-V310 WeakPolarHBondContact O-CG2 3.31Å; G306-V310 PolarHBondContact O-N 2.84Å; G307-V310 WeakPolarHBondContact O-CB 3.47Å; F308-V310 VanDerWaalsContact C-N 3.26Å; F308-V310 PolarHBondContact O-N 3.31Å; V310-A312 PolarHBondContact O-N 2.94Å; V310-S313 PolarHBondContact O-N 3.38Å; V310-L314 HydrophobicContact CG1-CD1 4.45Å; V310-L314 WeakPolarHBondContact O-CG 3.32Å; V310-L314 PolarHBondContact O-N 3.04Å; V310-V324 WeakPolarHBondContact CG2-O 3.23Å; V310-C325 HydrophobicContact CG1-CB 4.41Å
311L98.8Very high98Very high0 Ų024 Ų240%012%0.123CC..Hα-helixtrans-65.4-38.8-175.2-63.9177.4000112.4G307 F308 L314 A315 C325 P366 V377 F379 M396G307-L311 WeakPolarHBondContact O-CG 3.46Å; G307-L311 PolarHBondContact O-N 2.85Å; F308-L311 PolarHBondContact O-N 2.99Å; F308-L311 VanDerWaalsContact O-N 3.16Å; L311-L314 PolarHBondContact O-N 3.43Å; L311-A315 VanDerWaalsContact O-CB 3.26Å; L311-A315 WeakPolarHBondContact O-CB 3.37Å; L311-A315 PolarHBondContact O-N 2.91Å; L311-C325 HydrophobicContact CD2-CB 4.35Å; L311-C325 HydrophobicContact CG-CB 4.39Å; L311-P366 HydrophobicContact CB-CB 3.71Å; L311-P366 HydrophobicContact CB-CG 3.74Å; L311-V377 HydrophobicContact CD2-CG1 3.89Å; L311-F379 HydrophobicContact CD1-CE1 4.26Å; L311-F379 HydrophobicContact CD2-CE1 3.77Å; L311-F379 HydrophobicContact CD2-CZ 4.02Å; L311-M396 HydrophobicContact CD1-CG 4.37Å; L311-M396 HydrophobicContact CD2-CE 4.27Å
312A98.7Very high98Very high0 Ų023.7 Ų23.70%012%0.121CC..Hα-helixtrans-68-40176.700000111.6V277 F308 V310 L314 A315 F316 P366V277-A312 HydrophobicContact CG2-CB 3.51Å; F308-A312 HydrophobicContact CE1-CB 4.45Å; F308-A312 HydrophobicContact CZ-CB 4.35Å; F308-A312 VanDerWaalsContact O-CB 3.24Å; F308-A312 WeakPolarHBondContact O-CB 3.39Å; F308-A312 PolarHBondContact O-N 3.07Å; V310-A312 PolarHBondContact O-N 2.94Å; A312-L314 VanDerWaalsContact C-N 3.32Å; A312-L314 PolarHBondContact O-N 2.78Å; A312-A315 PolarHBondContact O-N 3.26Å; A312-F316 HydrophobicContact CB-CD2 3.92Å; A312-F316 HydrophobicContact CB-CE2 4.14Å; A312-F316 WeakPolarHBondContact O-CB 3.5Å; A312-F316 VanDerWaalsContact O-CD2 3.24Å; A312-F316 WeakPolarHBondContact O-CD2 3.09Å; A312-F316 PolarHBondContact O-N 3.11Å; A312-P366 HydrophobicContact CB-CG 3.97Å
313S98.8Very high98Very high1 Ų123.5 Ų23.51%0.00712%0.119CC..Hα-helixtrans-59.5-43.7173.1-60.70000111.2V309 V310 K317V309-S313 WeakPolarHBondContact O-CB 3.24Å; V309-S313 PolarHBondContact O-N 3.11Å; V309-S313 PolarHBondContact O-OG 2.88Å; V310-S313 PolarHBondContact O-N 3.38Å; S313-K317 CarbonylContact O-C 3.5Å; S313-K317 WeakPolarHBondContact O-CA 3.15Å; S313-K317 VanDerWaalsContact O-CB 3.3Å; S313-K317 WeakPolarHBondContact O-CB 3.22Å; S313-K317 PolarHBondContact O-N 3.06Å
314L98.5Very high98.1Very high10 Ų1018.8 Ų18.85%0.05210%0.101CC..Hα-helixtrans-72.6-28178.6-62.7-174000113.9V310 L311 A312 F320 I373 A375 V377V310-L314 HydrophobicContact CG1-CD1 4.45Å; V310-L314 WeakPolarHBondContact O-CG 3.32Å; V310-L314 PolarHBondContact O-N 3.04Å; L311-L314 PolarHBondContact O-N 3.43Å; A312-L314 VanDerWaalsContact C-N 3.32Å; A312-L314 PolarHBondContact O-N 2.78Å; L314-F320 HydrophobicContact CD2-CB 3.88Å; L314-I373 HydrophobicContact CB-CG1 4.28Å; L314-I373 HydrophobicContact CB-CG2 4.17Å; L314-A375 HydrophobicContact CD2-CB 3.88Å; L314-V377 HydrophobicContact CD1-CG1 4.47Å; L314-V377 HydrophobicContact CD1-CG2 3.48Å; L314-V377 VanDerWaalsContact CD1-CG2 3.48Å
315A98.3Very high98.3Very high5 Ų517.9 Ų17.94%0.04110%0.095CC..Hα-helixtrans-86.6-30.6-178.900000113.3L311 A312 P366 F369 R372 I373L311-A315 VanDerWaalsContact O-CB 3.26Å; L311-A315 WeakPolarHBondContact O-CB 3.37Å; L311-A315 PolarHBondContact O-N 2.91Å; A312-A315 PolarHBondContact O-N 3.26Å; A315-P366 HydrophobicContact CB-CB 4.21Å; A315-F369 HydrophobicContact CB-CB 4.33Å; A315-R372 WeakPolarHBondContact O-CB 3.44Å; A315-R372 WeakPolarHBondContact O-CD 3.36Å; A315-I373 HydrophobicContact CB-CD1 4.17Å; A315-I373 HydrophobicContact CB-CG1 3.87Å
316F98.1Very high98.4Very high63 Ų6318.5 Ų18.528%0.27610%0.097SC..Hα-helixtrans-120-11.9-169.6-54.5-54.2000114.4A312 E363 F369A312-F316 HydrophobicContact CB-CD2 3.92Å; A312-F316 HydrophobicContact CB-CE2 4.14Å; A312-F316 WeakPolarHBondContact O-CB 3.5Å; A312-F316 VanDerWaalsContact O-CD2 3.24Å; A312-F316 WeakPolarHBondContact O-CD2 3.09Å; A312-F316 PolarHBondContact O-N 3.11Å; F316-E363 WeakPolarHBondContact CZ-O 3.38Å; F316-F369 HydrophobicContact CE1-CB 3.94Å; F316-F369 HydrophobicContact CE1-CD1 4.19Å; F316-F369 AromaticContact CE1-CD2 3.37Å; F316-F369 HydrophobicContact CE1-CD2 3.37Å; F316-F369 AromaticContact CE1-CE2 3.83Å; F316-F369 HydrophobicContact CE1-CE2 3.83Å; F316-F369 AromaticContact CE1-CG 3.56Å; F316-F369 HydrophobicContact CE1-CG 3.56Å; F316-F369 HydrophobicContact CE1-CZ 4.39Å; F316-F369 HydrophobicContact CZ-CB 4.41Å; F316-F369 AromaticContact CZ-CD2 3.44Å; F316-F369 HydrophobicContact CZ-CD2 3.44Å; F316-F369 VanDerWaalsContact CZ-CD2 3.44Å; F316-F369 AromaticContact CZ-CE2 3.88Å; F316-F369 HydrophobicContact CZ-CE2 3.88Å; F316-F369 HydrophobicContact CZ-CG 4.07Å
317K97.7Very high98.3Very high65 Ų6519.2 Ų19.228%0.28310%0.1SC..  trans-127.2164.7174.8-56.3-75-165.4158.10109.2V277 D278 S313 V319V277-K317 HydrophobicContact CG1-CG 3.71Å; D278-K317 IonicContact OD1-NZ 2.66Å; D278-K317 PolarHBondContact OD1-NZ 3.16Å; S313-K317 CarbonylContact O-C 3.5Å; S313-K317 WeakPolarHBondContact O-CA 3.15Å; S313-K317 VanDerWaalsContact O-CB 3.3Å; S313-K317 WeakPolarHBondContact O-CB 3.22Å; S313-K317 PolarHBondContact O-N 3.06Å; K317-V319 HydrophobicContact CB-CG2 4.48Å
318N96.2Very high98.3Very high140 Ų14019.2 Ų19.275%0.74910%0.1SC*.  trans-129.866.4178.6-175.263.8000109.2
319V98.3Very high98.3Very high35 Ų3519.3 Ų19.321%0.21210%0.1CC..  trans-118.3-41.8-175175.40000111.6C281 A284 V285 L298 K317C281-V319 HydrophobicContact CB-CB 4.41Å; C281-V319 HydrophobicContact CB-CG1 4.49Å; C281-V319 HydrophobicContact CB-CG2 3.98Å; A284-V319 HydrophobicContact CB-CG1 4Å; V285-V319 HydrophobicContact CG2-CG1 4.01Å; V285-V319 HydrophobicContact CG2-CG2 4.29Å; L298-V319 HydrophobicContact CD1-CG1 4.08Å; K317-V319 HydrophobicContact CB-CG2 4.48Å
320F98.7Very high98.2Very high11 Ų1119.3 Ų19.35%0.04810%0.1CC..  trans-95.6137-173.2-58-71.7000112.6V221 A284 L298 I300 L314 A375V221-F320 HydrophobicContact CB-CE1 3.94Å; V221-F320 HydrophobicContact CB-CZ 4.25Å; V221-F320 HydrophobicContact CG1-CZ 4.43Å; V221-F320 HydrophobicContact CG2-CE1 3.68Å; V221-F320 HydrophobicContact CG2-CZ 4.22Å; A284-F320 HydrophobicContact CB-CE1 3.71Å; A284-F320 HydrophobicContact CB-CZ 4.06Å; L298-F320 HydrophobicContact CB-CD1 4Å; L298-F320 CarbonylContact O-C 3.58Å; L298-F320 WeakPolarHBondContact O-CA 3.38Å; I300-F320 HydrophobicContact CB-CD1 3.79Å; I300-F320 HydrophobicContact CB-CD2 3.89Å; I300-F320 HydrophobicContact CB-CE1 3.87Å; I300-F320 HydrophobicContact CB-CE2 3.97Å; I300-F320 HydrophobicContact CB-CG 3.8Å; I300-F320 HydrophobicContact CB-CZ 3.96Å; I300-F320 HydrophobicContact CD1-CD2 4.21Å; I300-F320 HydrophobicContact CD1-CE2 3.6Å; I300-F320 HydrophobicContact CD1-CZ 3.82Å; I300-F320 HydrophobicContact CG1-CE2 4.29Å; I300-F320 HydrophobicContact CG1-CZ 4.23Å; I300-F320 HydrophobicContact CG2-CB 4.02Å; I300-F320 HydrophobicContact CG2-CD1 4.19Å; I300-F320 HydrophobicContact CG2-CD2 3.67Å; I300-F320 HydrophobicContact CG2-CE2 4.16Å; I300-F320 HydrophobicContact CG2-CG 3.68Å; L314-F320 HydrophobicContact CD2-CB 3.88Å; F320-A375 WeakPolarHBondContact O-CB 3.31Å
321S98.3Very high98.2Very high40 Ų4020.1 Ų20.128%0.2811%0.105SC..SBendtrans-77-24.9175.7-56.90000112.7N296 L298 A375 P376N296-S321 PolarHBondContact O-OG 2.97Å; L298-S321 PolarHBondContact O-N 2.77Å; S321-A375 WeakPolarHBondContact O-CB 2.96Å; S321-P376 VanDerWaalsContact O-CD 3.27Å; S321-P376 WeakPolarHBondContact O-CD 3.22Å
322A98.6Very high98.1Very high0 Ų020.1 Ų20.10%011%0.105CC..EExtended strand (participates in β ladder)trans-156.5156.8176.400000111C299 I300 F435 F436 A439C299-A322 WeakPolarHBondContact CA-O 3.44Å; I300-A322 PolarHBondContact N-O 2.77Å; I300-A322 VanDerWaalsContact N-O 3.11Å; A322-F435 HydrophobicContact CB-CE1 4.41Å; A322-F436 HydrophobicContact CB-CD1 3.84Å; A322-F436 HydrophobicContact CB-CE1 4.07Å; A322-A439 HydrophobicContact CB-CB 3.66Å
323G98.7Very high98Very high0 Ų021 Ų210%011%0.11CC..EExtended strand (participates in β ladder)trans-140.6148.4173.500000114.8I300 P376 V377 A378I300-G323 CarbonylContact O-C 3.59Å; I300-G323 WeakPolarHBondContact O-CA 3.26Å; G323-P376 PolarHBondContact N-O 3.37Å; G323-V377 VanDerWaalsContact O-CA 3.31Å; G323-V377 WeakPolarHBondContact O-CA 3.11Å; G323-A378 PolarHBondContact O-N 2.84Å; G323-A378 VanDerWaalsContact O-N 3.13Å
324V98.8Very high97.9Very high0 Ų022.6 Ų22.60%012%0.123CC..EExtended strand (participates in β ladder)trans-123.3128.2173.8178.10000111I300 S301 G302 V310 H326 A378 F380 E432 F435 F436I300-V324 PolarHBondContact O-N 2.97Å; S301-V324 WeakPolarHBondContact CA-O 3.37Å; G302-V324 PolarHBondContact N-O 3.45Å; V310-V324 WeakPolarHBondContact CG2-O 3.23Å; V324-H326 WeakPolarHBondContact CG1-NE2 3.36Å; V324-A378 WeakPolarHBondContact CA-O 3.34Å; V324-A378 HydrophobicContact CG2-CB 4.13Å; V324-F380 HydrophobicContact CG1-CD2 3.61Å; V324-F380 HydrophobicContact CG1-CE2 3.59Å; V324-E432 HydrophobicContact CB-CG 3.97Å; V324-E432 HydrophobicContact CG1-CB 4.38Å; V324-E432 HydrophobicContact CG1-CG 3.88Å; V324-E432 HydrophobicContact CG2-CG 3.92Å; V324-F435 HydrophobicContact CG2-CD1 3.57Å; V324-F435 HydrophobicContact CG2-CE1 4.11Å; V324-F435 HydrophobicContact CG2-CG 4.45Å; V324-F436 HydrophobicContact CB-CE1 4.44Å; V324-F436 HydrophobicContact CB-CE2 4.42Å; V324-F436 HydrophobicContact CB-CZ 3.86Å; V324-F436 HydrophobicContact CG2-CD1 4.35Å; V324-F436 HydrophobicContact CG2-CE1 3.68Å; V324-F436 HydrophobicContact CG2-CE2 3.97Å; V324-F436 HydrophobicContact CG2-CZ 3.46Å; V324-F436 VanDerWaalsContact CG2-CZ 3.46Å
325C98.7Very high97.7Very high0 Ų022.3 Ų22.30%012%0.122CC..EExtended strand (participates in β ladder)trans-112.1111.6-178.11790000110.3G307 V310 L311 G328 A378 F379 F380G307-C325 PolarHBondContact O-SG 3.18Å; V310-C325 HydrophobicContact CG1-CB 4.41Å; L311-C325 HydrophobicContact CD2-CB 4.35Å; L311-C325 HydrophobicContact CG-CB 4.39Å; C325-G328 VanDerWaalsContact SG-CA 3.53Å; C325-A378 PolarHBondContact N-O 3.04Å; C325-F379 HydrophobicContact CB-CD1 3.77Å; C325-F379 HydrophobicContact CB-CE1 3.98Å; C325-F379 WeakPolarHBondContact O-CA 3.49Å; C325-F380 PolarHBondContact O-N 2.75Å; C325-F380 VanDerWaalsContact O-N 3.12Å
326H98.4Very high97.6Very high16 Ų1623 Ų237%0.07412%0.124CC..EExtended strand (participates in β ladder)trans-94.2112.5173.3-68.5-88.4000110G302 R303 S304 V324 G328 F380 Y419 E432G302-H326 PolarHBondContact O-N 2.81Å; R303-H326 CarbonylContact C-O 3.59Å; R303-H326 VanDerWaalsContact CA-O 3.26Å; R303-H326 WeakPolarHBondContact CA-O 3.37Å; R303-H326 HydrophobicContact CB-CB 4.11Å; S304-H326 PolarHBondContact N-O 3.07Å; V324-H326 WeakPolarHBondContact CG1-NE2 3.36Å; H326-G328 PolarHBondContact O-N 2.99Å; H326-F380 WeakPolarHBondContact CA-O 3.38Å; H326-F380 AromaticContact CE1-CD2 3.62Å; H326-F380 AromaticContact CE1-CG 3.86Å; H326-Y419 AromaticContact ND1-CE2 3.72Å; H326-Y419 AromaticContact ND1-CZ 3.82Å; H326-Y419 PolarHBondContact ND1-OH 2.75Å; H326-E432 IonicContact CE1-OE2 3.56Å; H326-E432 IonicContact NE2-OE2 3.16Å; H326-E432 PolarHBondContact NE2-OE2 3.43Å; H326-E432 VanDerWaalsContact NE2-OE2 3.12Å
327Y97.7Very high97.3Very high15 Ų1526.6 Ų26.66%0.05914%0.142CC..SBendtrans42.742.2176.746.2-93.1000114.7R303 S304 F380 H381 H417 G418 Y419R303-Y327 HydrophobicContact CB-CE2 3.7Å; S304-Y327 WeakPolarHBondContact CA-O 3.31Å; Y327-F380 PolarHBondContact N-O 2.95Å; Y327-H381 WeakPolarHBondContact CA-CE1 3.14Å; Y327-H381 WeakPolarHBondContact CA-ND1 3.47Å; Y327-H381 WeakPolarHBondContact CB-NE2 3.46Å; Y327-H417 AromaticContact CD2-CE1 3.49Å; Y327-H417 VanDerWaalsContact CD2-CE1 3.49Å; Y327-H417 WeakPolarHBondContact CD2-CE1 3.2Å; Y327-H417 AromaticContact CD2-ND1 3.75Å; Y327-H417 AromaticContact CD2-NE2 3.9Å; Y327-G418 VanDerWaalsContact CE1-CA 3.5Å; Y327-Y419 AromaticContact CD1-CE1 3.74Å; Y327-Y419 HydrophobicContact CD1-CE1 3.74Å; Y327-Y419 AromaticContact CD1-CZ 3.68Å; Y327-Y419 WeakPolarHBondContact CD1-OH 3.46Å; Y327-Y419 AromaticContact CE1-CE1 3.95Å; Y327-Y419 HydrophobicContact CE1-CE1 3.95Å; Y327-Y419 HydrophobicContact CE1-CE2 4.12Å; Y327-Y419 AromaticContact CE1-CZ 3.66Å
328G97Very high97Very high0 Ų026.3 Ų26.30%015%0.148CC..  trans-96169.9-171.500000114.4S304 C325 H326 V388S304-G328 VanDerWaalsContact O-CA 3.25Å; S304-G328 WeakPolarHBondContact O-CA 3.06Å; C325-G328 VanDerWaalsContact SG-CA 3.53Å; H326-G328 PolarHBondContact O-N 2.99Å; G328-V388 WeakPolarHBondContact O-CG1 3.29Å
329I97.8Very high96.7Very high4 Ų420.8 Ų20.82%0.02112%0.121CC..  trans-94.7132.2-174.4-53.3146.1000109.3F308 L332 L335 F347 V388F308-I329 WeakPolarHBondContact CA-O 3.49Å; F308-I329 HydrophobicContact CB-CB 3.98Å; F308-I329 WeakPolarHBondContact CB-O 3.04Å; F308-I329 HydrophobicContact CD2-CB 4.49Å; I329-L332 HydrophobicContact CG2-CD2 4.14Å; I329-L335 HydrophobicContact CB-CD2 4.37Å; I329-L335 HydrophobicContact CD1-CD2 3.44Å; I329-L335 VanDerWaalsContact CD1-CD2 3.44Å; I329-L335 HydrophobicContact CG1-CD1 4.3Å; I329-L335 HydrophobicContact CG1-CD2 3.7Å; I329-L335 HydrophobicContact CG2-CB 4.08Å; I329-L335 HydrophobicContact CG2-CD2 3.82Å; I329-L335 HydrophobicContact CG2-CG 4.46Å; I329-F347 HydrophobicContact CD1-CE1 4.48Å; I329-F347 HydrophobicContact CD1-CZ 4.07Å; I329-V388 HydrophobicContact CD1-CG2 4.39Å; I329-V388 HydrophobicContact CG1-CG1 3.98Å; I329-V388 HydrophobicContact CG1-CG2 3.74Å
330S97.9Very high96.1Very high1 Ų121.7 Ų21.71%0.00713%0.128CC..SBendtrans-114.8-22.1176.770.20000113.5S365 P366 V367 Q392S330-S365 CarbonylContact O-C 3.58Å; S330-P366 WeakPolarHBondContact O-CD 3.2Å; S330-V367 WeakPolarHBondContact O-CB 3.27Å; S330-V367 WeakPolarHBondContact O-CG1 3.33Å; S330-V367 PolarHBondContact O-N 3.32Å; S330-Q392 PolarHBondContact OG-O 3.45Å; S330-Q392 VanDerWaalsContact OG-O 3.09Å; S330-Q392 PolarHBondContact OG-OE1 3.01Å
331D98.1Very high95.6Very high17 Ų1729.1 Ų29.19%0.09116%0.16CC..  trans-135.1103.4-175.8-170.1-26.6000108.4V333 A334 L335 V367 Q392 R395D331-V333 VanDerWaalsContact C-N 3.28Å; D331-V333 PolarHBondContact O-N 3.15Å; D331-V333 WeakPolarHBondContact OD1-CB 3.45Å; D331-V333 PolarHBondContact OD1-N 2.76Å; D331-A334 HydrophobicContact CB-CB 3.95Å; D331-A334 PolarHBondContact OD1-N 3.29Å; D331-L335 PolarHBondContact O-N 3.01Å; D331-L335 VanDerWaalsContact O-N 3.07Å; D331-V367 HydrophobicContact CB-CG1 3.77Å; D331-Q392 PolarHBondContact O-NE2 3.24Å; D331-R395 IonicContact OD2-NH1 3.62Å; D331-R395 PolarHBondContact OD2-NH1 3.02Å
332L97.4Very high95Very high0 Ų031.8 Ų31.80%017%0.165CC..Hα-helixtrans-69-28-179.7-68168.8000111.8L272 F308 I329 Q336 F347 V351 Y361 R364 S365L272-L332 HydrophobicContact CD2-CD2 4.18Å; F308-L332 HydrophobicContact CD2-CD2 4.21Å; F308-L332 HydrophobicContact CD2-CG 4.4Å; F308-L332 HydrophobicContact CE2-CD1 3.74Å; F308-L332 HydrophobicContact CE2-CD2 3.91Å; F308-L332 HydrophobicContact CE2-CG 3.77Å; F308-L332 HydrophobicContact CZ-CD1 3.85Å; F308-L332 HydrophobicContact CZ-CD2 4.31Å; F308-L332 HydrophobicContact CZ-CG 4.31Å; I329-L332 HydrophobicContact CG2-CD2 4.14Å; L332-Q336 VanDerWaalsContact O-CB 3.29Å; L332-Q336 WeakPolarHBondContact O-CB 3.43Å; L332-Q336 PolarHBondContact O-N 2.81Å; L332-F347 HydrophobicContact CD2-CD1 4.08Å; L332-F347 HydrophobicContact CD2-CE1 4.11Å; L332-V351 HydrophobicContact CD1-CG2 4.09Å; L332-Y361 HydrophobicContact CB-CD1 3.76Å; L332-Y361 HydrophobicContact CB-CG 4.47Å; L332-R364 HydrophobicContact CD1-CB 3.68Å; L332-S365 PolarHBondContact N-OG 3.12Å
333V97.1Very high94.5Very high17 Ų1734 Ų3410%0.10318%0.175CC..Hα-helixtrans-68.9-51.8177.3179.80000109.2D331 L335 Q336 E337 I358 R362D331-V333 VanDerWaalsContact C-N 3.28Å; D331-V333 PolarHBondContact O-N 3.15Å; D331-V333 WeakPolarHBondContact OD1-CB 3.45Å; D331-V333 PolarHBondContact OD1-N 2.76Å; V333-L335 VanDerWaalsContact C-N 3.25Å; V333-L335 PolarHBondContact O-N 3.26Å; V333-Q336 PolarHBondContact O-N 3.05Å; V333-Q336 VanDerWaalsContact O-N 3.17Å; V333-E337 WeakPolarHBondContact O-CG 3.46Å; V333-E337 PolarHBondContact O-N 3.39Å; V333-I358 HydrophobicContact CG1-CD1 4.11Å; V333-I358 HydrophobicContact CG1-CG1 4.48Å; V333-I358 HydrophobicContact CG2-CG1 4.08Å; V333-R362 HydrophobicContact CG2-CG 3.92Å
334A95.7Very high94Very high36 Ų3637.3 Ų37.330%0.29819%0.191SC..Hα-helixtrans-62.6-33.7179.300000112.3D331 S338D331-A334 HydrophobicContact CB-CB 3.95Å; D331-A334 PolarHBondContact OD1-N 3.29Å; A334-S338 WeakPolarHBondContact O-CB 3.47Å; A334-S338 PolarHBondContact O-N 2.73Å; A334-S338 PolarHBondContact O-OG 3.49Å
335L95.2Very high93.6Very high3 Ų339.8 Ų39.82%0.01620%0.203CC..Hα-helixtrans-64-53.3172.4-176.172.2000110.8I329 D331 V333 E337 S338 S339 F347 I387 V388I329-L335 HydrophobicContact CB-CD2 4.37Å; I329-L335 HydrophobicContact CD1-CD2 3.44Å; I329-L335 VanDerWaalsContact CD1-CD2 3.44Å; I329-L335 HydrophobicContact CG1-CD1 4.3Å; I329-L335 HydrophobicContact CG1-CD2 3.7Å; I329-L335 HydrophobicContact CG2-CB 4.08Å; I329-L335 HydrophobicContact CG2-CD2 3.82Å; I329-L335 HydrophobicContact CG2-CG 4.46Å; D331-L335 PolarHBondContact O-N 3.01Å; D331-L335 VanDerWaalsContact O-N 3.07Å; V333-L335 VanDerWaalsContact C-N 3.25Å; V333-L335 PolarHBondContact O-N 3.26Å; L335-E337 VanDerWaalsContact C-N 3.26Å; L335-E337 PolarHBondContact O-N 3.09Å; L335-S338 CarbonylContact O-C 3.5Å; L335-S338 PolarHBondContact O-N 3.44Å; L335-S338 PolarHBondContact O-OG 3.41Å; L335-S339 PolarHBondContact O-N 2.94Å; L335-S339 PolarHBondContact O-OG 2.92Å; L335-F347 HydrophobicContact CD2-CD2 4.04Å; L335-F347 HydrophobicContact CD2-CE1 3.97Å; L335-F347 HydrophobicContact CD2-CE2 3.31Å; L335-F347 HydrophobicContact CD2-CZ 3.28Å; L335-F347 HydrophobicContact CG-CE2 4.22Å; L335-I387 WeakPolarHBondContact CD1-O 3.46Å; L335-V388 HydrophobicContact CD1-CG2 4.22Å
336Q94.4Very high93.3Very high20 Ų2040.3 Ų40.39%0.09321%0.205CC..Hα-helixtrans-55.8-40.3-178.4-177.463.115.800112.5L332 V333 S338 M344 D348 Y354 Y361L332-Q336 VanDerWaalsContact O-CB 3.29Å; L332-Q336 WeakPolarHBondContact O-CB 3.43Å; L332-Q336 PolarHBondContact O-N 2.81Å; V333-Q336 PolarHBondContact O-N 3.05Å; V333-Q336 VanDerWaalsContact O-N 3.17Å; Q336-S338 VanDerWaalsContact C-N 3.3Å; Q336-S338 PolarHBondContact O-N 2.84Å; Q336-M344 PolarHBondContact NE2-O 3.5Å; Q336-D348 PolarHBondContact NE2-OD1 3.28Å; Q336-Y354 HydrophobicContact CG-CD1 3.75Å; Q336-Y354 HydrophobicContact CG-CD2 3.93Å; Q336-Y354 HydrophobicContact CG-CE1 4.09Å; Q336-Y354 HydrophobicContact CG-CE2 4.27Å; Q336-Y354 HydrophobicContact CG-CG 3.67Å; Q336-Y361 HydrophobicContact CB-CD1 4.49Å; Q336-Y361 HydrophobicContact CB-CE1 4.15Å; Q336-Y361 HydrophobicContact CG-CE1 4.22Å
337E93.1Very high93.1Very high138 Ų13839.9 Ų39.965%0.64520%0.203SC*.Hα-helixtrans-73.9-18.4179.3-67.6-178.1159.900113.9V333 L335 Y354V333-E337 WeakPolarHBondContact O-CG 3.46Å; V333-E337 PolarHBondContact O-N 3.39Å; L335-E337 VanDerWaalsContact C-N 3.26Å; L335-E337 PolarHBondContact O-N 3.09Å; E337-Y354 PolarHBondContact OE1-OH 2.79Å
338S91.5Very high93Very high59 Ų5940.1 Ų40.141%0.41321%0.205SC..Hα-helixtrans-108.9-2.2179.5600000114.1A334 L335 Q336A334-S338 WeakPolarHBondContact O-CB 3.47Å; A334-S338 PolarHBondContact O-N 2.73Å; A334-S338 PolarHBondContact O-OG 3.49Å; L335-S338 CarbonylContact O-C 3.5Å; L335-S338 PolarHBondContact O-N 3.44Å; L335-S338 PolarHBondContact O-OG 3.41Å; Q336-S338 VanDerWaalsContact C-N 3.3Å; Q336-S338 PolarHBondContact O-N 2.84Å
339S88.6Confident92.8Very high25 Ų2542 Ų4218%0.17522%0.215CC..  trans-54.7137.4-177.1-72.10000113.1L335L335-S339 PolarHBondContact O-N 2.94Å; L335-S339 PolarHBondContact O-OG 2.92Å
340C86.6Confident92.7Very high54 Ų5442.1 Ų42.137%0.36522%0.216SC..  trans-66.9160.9171.377.90000111Y342 E343 M344C340-Y342 PolarHBondContact O-N 2.84Å; C340-E343 PolarHBondContact O-N 3.02Å; C340-E343 VanDerWaalsContact O-N 3.08Å; C340-M344 PolarHBondContact O-N 3.37Å; C340-M344 VanDerWaalsContact O-N 3.09Å
341K88.8Confident92.7Very high166 Ų16642.1 Ų42.172%0.72222%0.216SC*.G310 helixtrans-48.9-39.7179.4-177.8178.4177.6-177.30112.7F5 E343 M344F5-K341 WeakPolarHBondContact CE1-O 3.42Å; F5-K341 HydrophobicContact CE2-CG 4.36Å; F5-K341 HydrophobicContact CZ-CG 4.07Å; F5-K341 WeakPolarHBondContact CZ-O 3.29Å; K341-E343 PolarHBondContact O-N 2.87Å; K341-M344 HydrophobicContact CG-SD 4.31Å; K341-M344 VanDerWaalsContact O-CG 3.26Å; K341-M344 WeakPolarHBondContact O-CG 3.5Å
342Y85.9Confident92.6Very high96 Ų9641.8 Ų41.838%0.37622%0.215SC..G310 helixtrans-63.6-39.8-176.6-177.6-107.1000113.3W3 M8 P9 W10 C340W3-Y342 AromaticContact CH2-CD2 3.85Å; W3-Y342 HydrophobicContact CH2-CD2 3.85Å; W3-Y342 AromaticContact CH2-CE2 3.97Å; W3-Y342 HydrophobicContact CH2-CE2 3.97Å; W3-Y342 AromaticContact CZ2-CD2 3.77Å; W3-Y342 HydrophobicContact CZ2-CD2 3.77Å; W3-Y342 AromaticContact CZ2-CE2 3.66Å; W3-Y342 HydrophobicContact CZ2-CE2 3.66Å; M8-Y342 HydrophobicContact CE-CD1 4.08Å; M8-Y342 HydrophobicContact CE-CE1 3.56Å; M8-Y342 HydrophobicContact CE-CE2 4.25Å; P9-Y342 HydrophobicContact CG-CE2 4.43Å; W10-Y342 HydrophobicContact CH2-CE1 4.35Å; W10-Y342 WeakPolarHBondContact CH2-OH 3.44Å; W10-Y342 VanDerWaalsContact CZ3-OH 3.22Å; W10-Y342 WeakPolarHBondContact CZ3-OH 3.33Å; C340-Y342 PolarHBondContact O-N 2.84Å
343E86.9Confident92.5Very high48 Ų4845.1 Ų45.122%0.22424%0.237CC..G310 helixtrans-103.67.6-174.9-58.1-173.1159.600113.1C340 K341 H345 Y346C340-E343 PolarHBondContact O-N 3.02Å; C340-E343 VanDerWaalsContact O-N 3.08Å; K341-E343 PolarHBondContact O-N 2.87Å; E343-H345 PolarHBondContact O-N 3.06Å; E343-Y346 VanDerWaalsContact O-CB 3.31Å; E343-Y346 WeakPolarHBondContact O-CB 3.38Å; E343-Y346 PolarHBondContact O-N 2.73Å
344M88.5Confident92.4Very high69 Ų6946.7 Ų46.734%0.3424%0.241SC..THydrogen-bonded Turntrans-60.4-21.3-168.671.7-179.4-67.400115.4F5 Q336 C340 K341F5-M344 HydrophobicContact CD1-CG 4.26Å; F5-M344 HydrophobicContact CD2-CG 4.37Å; F5-M344 HydrophobicContact CD2-SD 3.81Å; F5-M344 HydrophobicContact CE1-CG 3.82Å; F5-M344 HydrophobicContact CE1-SD 4.22Å; F5-M344 HydrophobicContact CE2-CG 3.95Å; F5-M344 HydrophobicContact CE2-SD 3.22Å; F5-M344 WeakPolarHBondContact CE2-SD 3.44Å; F5-M344 HydrophobicContact CZ-CG 3.69Å; F5-M344 HydrophobicContact CZ-SD 3.5Å; F5-M344 VanDerWaalsContact CZ-SD 3.5Å; Q336-M344 PolarHBondContact NE2-O 3.5Å; C340-M344 PolarHBondContact O-N 3.37Å; C340-M344 VanDerWaalsContact O-N 3.09Å; K341-M344 HydrophobicContact CG-SD 4.31Å; K341-M344 VanDerWaalsContact O-CG 3.26Å; K341-M344 WeakPolarHBondContact O-CG 3.5Å
345H91Very high92.4Very high52 Ų5248.9 Ų48.924%0.24125%0.252CS..THydrogen-bonded Turntrans-121.112175.8-68.2-68.1000112.3F5 P6 E343 D348F5-H345 VanDerWaalsContact CB-CD2 3.47Å; F5-H345 WeakPolarHBondContact CB-CD2 3.42Å; F5-H345 HydrophobicContact CD1-CB 4.36Å; F5-H345 AromaticContact CD1-CD2 3.72Å; F5-H345 AromaticContact CD2-CD2 3.82Å; F5-H345 AromaticContact CG-CD2 3.39Å; F5-H345 WeakPolarHBondContact CG-CD2 3.43Å; P6-H345 HydrophobicContact CB-CB 4Å; E343-H345 PolarHBondContact O-N 3.06Å; H345-D348 HydrophobicContact CB-CB 4.48Å; H345-D348 IonicContact CE1-OD2 3.96Å; H345-D348 IonicContact CG-OD2 3.58Å; H345-D348 IonicContact ND1-OD2 3.64Å; H345-D348 PolarHBondContact ND1-OD2 3.31Å; H345-D348 WeakPolarHBondContact O-CB 3.34Å; H345-D348 PolarHBondContact O-N 3.19Å
346Y92.2Very high92.5Very high11 Ų1155.3 Ų55.34%0.04329%0.287CS..Hα-helixtrans-69.1-42.6-175-172.8-153.8000111.1M8 W10 P227 T228 E343 D348 N349 L350M8-Y346 HydrophobicContact CG-CD2 3.63Å; M8-Y346 HydrophobicContact CG-CE2 4.07Å; M8-Y346 HydrophobicContact CG-CG 4.31Å; M8-Y346 HydrophobicContact SD-CD2 4.2Å; M8-Y346 HydrophobicContact SD-CG 4.29Å; W10-Y346 AromaticContact CZ2-CE2 3.95Å; W10-Y346 HydrophobicContact CZ2-CE2 3.95Å; W10-Y346 AromaticContact CZ2-CZ 3.95Å; P227-Y346 WeakPolarHBondContact CD-OH 2.97Å; P227-Y346 HydrophobicContact CG-CE1 3.7Å; P227-Y346 WeakPolarHBondContact CG-OH 3.42Å; T228-Y346 HydrophobicContact CG2-CE2 4.32Å; T228-Y346 PolarHBondContact N-OH 3.14Å; T228-Y346 PolarHBondContact OG1-OH 3.05Å; E343-Y346 VanDerWaalsContact O-CB 3.31Å; E343-Y346 WeakPolarHBondContact O-CB 3.38Å; E343-Y346 PolarHBondContact O-N 2.73Å; Y346-D348 VanDerWaalsContact C-N 3.31Å; Y346-D348 PolarHBondContact O-N 2.64Å; Y346-N349 PolarHBondContact O-N 3.07Å; Y346-L350 HydrophobicContact CD1-CD1 4.38Å; Y346-L350 HydrophobicContact CD2-CD1 3.81Å; Y346-L350 HydrophobicContact CD2-CG 4.31Å; Y346-L350 HydrophobicContact CE1-CD1 4.15Å; Y346-L350 HydrophobicContact CE2-CD1 3.54Å; Y346-L350 HydrophobicContact CE2-CG 4.2Å; Y346-L350 HydrophobicContact CG-CD1 4.24Å; Y346-L350 WeakPolarHBondContact O-CG 3.49Å; Y346-L350 PolarHBondContact O-N 3.32Å
347F94Very high92.6Very high7 Ų758.8 Ų58.83%0.03130%0.303CS..Hα-helixtrans-75.1-19.5176.9-64.8-86.8000113L272 I329 L332 L335 N349 L350 V351 Y361L272-F347 HydrophobicContact CD2-CD1 3.57Å; L272-F347 HydrophobicContact CD2-CE1 3.59Å; I329-F347 HydrophobicContact CD1-CE1 4.48Å; I329-F347 HydrophobicContact CD1-CZ 4.07Å; L332-F347 HydrophobicContact CD2-CD1 4.08Å; L332-F347 HydrophobicContact CD2-CE1 4.11Å; L335-F347 HydrophobicContact CD2-CD2 4.04Å; L335-F347 HydrophobicContact CD2-CE1 3.97Å; L335-F347 HydrophobicContact CD2-CE2 3.31Å; L335-F347 HydrophobicContact CD2-CZ 3.28Å; L335-F347 HydrophobicContact CG-CE2 4.22Å; F347-N349 PolarHBondContact O-N 3.03Å; F347-L350 PolarHBondContact O-N 2.98Å; F347-V351 HydrophobicContact CB-CG2 4.24Å; F347-V351 HydrophobicContact CD1-CG2 4.12Å; F347-V351 WeakPolarHBondContact O-CA 3.28Å; F347-V351 WeakPolarHBondContact O-CB 3.19Å; F347-V351 PolarHBondContact O-N 2.9Å; F347-Y361 HydrophobicContact CB-CE1 4.02Å; F347-Y361 PolarHBondContact O-OH 3.02Å; F347-Y361 VanDerWaalsContact O-OH 3.07Å
348D94.6Very high92.8Very high19 Ų1954.1 Ų54.110%0.10228%0.282CS..Hα-helixtrans-57.3-40.7172.7-58.623.1000111.1Q336 H345 Y346 A352 Y361Q336-D348 PolarHBondContact NE2-OD1 3.28Å; H345-D348 HydrophobicContact CB-CB 4.48Å; H345-D348 IonicContact CE1-OD2 3.96Å; H345-D348 IonicContact CG-OD2 3.58Å; H345-D348 IonicContact ND1-OD2 3.64Å; H345-D348 PolarHBondContact ND1-OD2 3.31Å; H345-D348 WeakPolarHBondContact O-CB 3.34Å; H345-D348 PolarHBondContact O-N 3.19Å; Y346-D348 VanDerWaalsContact C-N 3.31Å; Y346-D348 PolarHBondContact O-N 2.64Å; D348-A352 WeakPolarHBondContact CA-O 3.19Å; D348-A352 CarbonylContact O-C 3.19Å; D348-A352 WeakPolarHBondContact O-CA 3.31Å; D348-A352 PolarHBondContact O-N 3.47Å; D348-Y361 WeakPolarHBondContact CA-OH 3.47Å; D348-Y361 PolarHBondContact N-OH 3.32Å
349N93Very high93.1Very high40 Ų4055.1 Ų55.121%0.21429%0.286CS..Hα-helixtrans-82.5-29.3178.8-65.8-30.5000113P6 K269 S270 Y346 F347P6-N349 PolarHBondContact O-ND2 3.42Å; K269-N349 CarbonylContact C-O 3.6Å; K269-N349 VanDerWaalsContact CA-O 3.29Å; K269-N349 WeakPolarHBondContact CA-O 3.04Å; S270-N349 PolarHBondContact N-O 2.89Å; Y346-N349 PolarHBondContact O-N 3.07Å; F347-N349 PolarHBondContact O-N 3.03Å
350L96.2Very high93.6Very high6 Ų655.5 Ų55.53%0.03129%0.287CS..Hα-helixtrans-91.1-29.3-174.4-67.8178000113.5P227 T228 L268 S270 K271 L272 Y346 F347P227-L350 HydrophobicContact CB-CD1 4.01Å; P227-L350 HydrophobicContact CG-CD1 3.43Å; P227-L350 VanDerWaalsContact CG-CD1 3.43Å; T228-L350 HydrophobicContact CG2-CD2 4.06Å; L268-L350 HydrophobicContact CB-CD2 4.43Å; L268-L350 HydrophobicContact CD2-CD2 4.25Å; L268-L350 HydrophobicContact CG-CD2 4.2Å; S270-L350 CarbonylContact C-O 3.06Å; S270-L350 WeakPolarHBondContact CA-O 3.48Å; S270-L350 PolarHBondContact N-O 3.36Å; K271-L350 PolarHBondContact N-O 3.04Å; L272-L350 HydrophobicContact CB-CB 3.97Å; L272-L350 VanDerWaalsContact CB-O 3.28Å; L272-L350 WeakPolarHBondContact CB-O 3.43Å; L272-L350 HydrophobicContact CD2-CB 4.38Å; L272-L350 PolarHBondContact N-O 3.15Å; Y346-L350 HydrophobicContact CD1-CD1 4.38Å; Y346-L350 HydrophobicContact CD2-CD1 3.81Å; Y346-L350 HydrophobicContact CD2-CG 4.31Å; Y346-L350 HydrophobicContact CE1-CD1 4.15Å; Y346-L350 HydrophobicContact CE2-CD1 3.54Å; Y346-L350 HydrophobicContact CE2-CG 4.2Å; Y346-L350 HydrophobicContact CG-CD1 4.24Å; Y346-L350 WeakPolarHBondContact O-CG 3.49Å; Y346-L350 PolarHBondContact O-N 3.32Å; F347-L350 PolarHBondContact O-N 2.98Å
351V97.5Very high94.1Very high1 Ų153 Ų531%0.00627%0.27CS..THydrogen-bonded Turntrans-107.9-71.3-178.2-179.80000109.8S270 L272 L332 F347 T360 Y361 R364S270-V351 WeakPolarHBondContact CA-O 3.38Å; L272-V351 HydrophobicContact CB-CG2 4.23Å; L272-V351 HydrophobicContact CD2-CG2 3.71Å; L332-V351 HydrophobicContact CD1-CG2 4.09Å; F347-V351 HydrophobicContact CB-CG2 4.24Å; F347-V351 HydrophobicContact CD1-CG2 4.12Å; F347-V351 WeakPolarHBondContact O-CA 3.28Å; F347-V351 WeakPolarHBondContact O-CB 3.19Å; F347-V351 PolarHBondContact O-N 2.9Å; V351-T360 HydrophobicContact CG1-CG2 4Å; V351-Y361 HydrophobicContact CB-CE1 4.09Å; V351-Y361 HydrophobicContact CB-CE2 4.07Å; V351-Y361 HydrophobicContact CG1-CD1 4.13Å; V351-Y361 HydrophobicContact CG1-CD2 3.72Å; V351-Y361 HydrophobicContact CG1-CE1 4.13Å; V351-Y361 HydrophobicContact CG1-CE2 3.73Å; V351-Y361 HydrophobicContact CG1-CG 3.9Å; V351-Y361 HydrophobicContact CG2-CE1 4.34Å; V351-R364 PolarHBondContact O-NH1 2.96Å
352A96.9Very high94.6Very high10 Ų1051.5 Ų51.58%0.08326%0.26CS..  trans-177.1160.5176.800000109.6D348 Y354 H357 T360 Y361D348-A352 WeakPolarHBondContact CA-O 3.19Å; D348-A352 CarbonylContact O-C 3.19Å; D348-A352 WeakPolarHBondContact O-CA 3.31Å; D348-A352 PolarHBondContact O-N 3.47Å; A352-Y354 PolarHBondContact O-N 3.36Å; A352-H357 HydrophobicContact CB-CB 3.5Å; A352-T360 HydrophobicContact CB-CG2 4.22Å; A352-Y361 HydrophobicContact CB-CE2 4.38Å; A352-Y361 WeakPolarHBondContact O-CE2 3.25Å; A352-Y361 PolarHBondContact O-OH 2.75Å
353P95.7Very high95.2Very high70 Ų7052.2 Ų52.246%0.45527%0.267SS..  trans-53.7127.1174.4-25.630.1000113.4H357P353-H357 WeakPolarHBondContact O-CB 3.11Å; P353-H357 PolarHBondContact O-N 3.1Å
354Y94.3Very high95.7Very high51 Ų5151.8 Ų51.820%0.226%0.263CS..THydrogen-bonded Turntrans-104.7141.7178.3-168.8-92.8000110.4Q336 E337 A352 I358 Y361Q336-Y354 HydrophobicContact CG-CD1 3.75Å; Q336-Y354 HydrophobicContact CG-CD2 3.93Å; Q336-Y354 HydrophobicContact CG-CE1 4.09Å; Q336-Y354 HydrophobicContact CG-CE2 4.27Å; Q336-Y354 HydrophobicContact CG-CG 3.67Å; E337-Y354 PolarHBondContact OE1-OH 2.79Å; A352-Y354 PolarHBondContact O-N 3.36Å; Y354-I358 HydrophobicContact CE2-CB 4.24Å; Y354-I358 HydrophobicContact CE2-CD1 4.17Å; Y354-I358 HydrophobicContact CE2-CG1 4.05Å; Y354-Y361 HydrophobicContact CD2-CD1 4.47Å; Y354-Y361 HydrophobicContact CD2-CD2 4.13Å; Y354-Y361 HydrophobicContact CD2-CE1 4.32Å; Y354-Y361 AromaticContact CD2-CE2 3.95Å; Y354-Y361 HydrophobicContact CD2-CE2 3.95Å; Y354-Y361 HydrophobicContact CD2-CG 4.41Å
355P95.2Very high96.2Very high81 Ų8148.5 Ų48.553%0.52625%0.247SC..THydrogen-bonded Turncis-87.2-6.23.734.7-35.8000115.3H357 I358P355-H357 PolarHBondContact O-N 3.48Å; P355-H357 VanDerWaalsContact O-N 3.07Å; P355-I358 PolarHBondContact O-N 2.9Å; P355-I358 VanDerWaalsContact O-N 3.1Å
356D96.7Very high96.5Very high139 Ų13946 Ų4674%0.74324%0.235SC*.THydrogen-bonded Turntrans-58.2-28.8-169.6-66.6-16.3000113.9
357H97.3Very high96.8Very high92 Ų9245.9 Ų45.943%0.42624%0.235SC..THydrogen-bonded Turntrans-113.134.3178.7-60.1-63.2000114.2A352 P353 P355 T359 T360A352-H357 HydrophobicContact CB-CB 3.5Å; P353-H357 WeakPolarHBondContact O-CB 3.11Å; P353-H357 PolarHBondContact O-N 3.1Å; P355-H357 PolarHBondContact O-N 3.48Å; P355-H357 VanDerWaalsContact O-N 3.07Å; H357-T359 PolarHBondContact O-N 3.33Å; H357-T360 WeakPolarHBondContact O-CB 2.89Å; H357-T360 PolarHBondContact O-N 2.99Å
358I97.5Very high97Very high40 Ų4049.2 Ų49.221%0.20525%0.254CS..Hα-helixtrans-51.2-29176.6-170.2166.8000114.1V333 Y354 P355 T360 Y361 R362V333-I358 HydrophobicContact CG1-CD1 4.11Å; V333-I358 HydrophobicContact CG1-CG1 4.48Å; V333-I358 HydrophobicContact CG2-CG1 4.08Å; Y354-I358 HydrophobicContact CE2-CB 4.24Å; Y354-I358 HydrophobicContact CE2-CD1 4.17Å; Y354-I358 HydrophobicContact CE2-CG1 4.05Å; P355-I358 PolarHBondContact O-N 2.9Å; P355-I358 VanDerWaalsContact O-N 3.1Å; I358-T360 VanDerWaalsContact C-N 3.31Å; I358-T360 PolarHBondContact O-N 3.22Å; I358-Y361 WeakPolarHBondContact O-CB 2.96Å; I358-Y361 PolarHBondContact O-N 2.72Å; I358-R362 WeakPolarHBondContact O-CG 3.29Å; I358-R362 PolarHBondContact O-N 2.91Å
359T98.2Very high97.2Very high81 Ų8150.4 Ų50.450%0.49726%0.258SS..Hα-helixtrans-58.5-42.6175.5-55.60000111.8H357 Y361 R362 E363H357-T359 PolarHBondContact O-N 3.33Å; T359-Y361 VanDerWaalsContact C-N 3.31Å; T359-Y361 PolarHBondContact O-N 3.19Å; T359-R362 PolarHBondContact O-N 3.48Å; T359-R362 VanDerWaalsContact O-N 3.15Å; T359-E363 HydrophobicContact CG2-CG 4.36Å; T359-E363 WeakPolarHBondContact O-CG 3.39Å; T359-E363 PolarHBondContact O-N 3.35Å
360T98.1Very high97.4Very high33 Ų3349 Ų4920%0.20225%0.251CS..Hα-helixtrans-64.1-36.9178-54.60000111.8V351 A352 H357 I358 E363 R364V351-T360 HydrophobicContact CG1-CG2 4Å; A352-T360 HydrophobicContact CB-CG2 4.22Å; H357-T360 WeakPolarHBondContact O-CB 2.89Å; H357-T360 PolarHBondContact O-N 2.99Å; I358-T360 VanDerWaalsContact C-N 3.31Å; I358-T360 PolarHBondContact O-N 3.22Å; T360-E363 PolarHBondContact O-N 2.81Å; T360-R364 WeakPolarHBondContact O-CB 3.23Å; T360-R364 WeakPolarHBondContact O-CG 3.37Å; T360-R364 PolarHBondContact O-N 3.26Å; T360-R364 VanDerWaalsContact O-N 3.1Å
361Y98.4Very high97.5Very high0 Ų055.2 Ų55.20%028%0.28CS..Hα-helixtrans-63.2-44.6173.7-73.6-109.3000111.1L332 Q336 F347 D348 V351 A352 Y354 I358 T359 R364 S365L332-Y361 HydrophobicContact CB-CD1 3.76Å; L332-Y361 HydrophobicContact CB-CG 4.47Å; Q336-Y361 HydrophobicContact CB-CD1 4.49Å; Q336-Y361 HydrophobicContact CB-CE1 4.15Å; Q336-Y361 HydrophobicContact CG-CE1 4.22Å; F347-Y361 HydrophobicContact CB-CE1 4.02Å; F347-Y361 PolarHBondContact O-OH 3.02Å; F347-Y361 VanDerWaalsContact O-OH 3.07Å; D348-Y361 WeakPolarHBondContact CA-OH 3.47Å; D348-Y361 PolarHBondContact N-OH 3.32Å; V351-Y361 HydrophobicContact CB-CE1 4.09Å; V351-Y361 HydrophobicContact CB-CE2 4.07Å; V351-Y361 HydrophobicContact CG1-CD1 4.13Å; V351-Y361 HydrophobicContact CG1-CD2 3.72Å; V351-Y361 HydrophobicContact CG1-CE1 4.13Å; V351-Y361 HydrophobicContact CG1-CE2 3.73Å; V351-Y361 HydrophobicContact CG1-CG 3.9Å; V351-Y361 HydrophobicContact CG2-CE1 4.34Å; A352-Y361 HydrophobicContact CB-CE2 4.38Å; A352-Y361 WeakPolarHBondContact O-CE2 3.25Å; A352-Y361 PolarHBondContact O-OH 2.75Å; Y354-Y361 HydrophobicContact CD2-CD1 4.47Å; Y354-Y361 HydrophobicContact CD2-CD2 4.13Å; Y354-Y361 HydrophobicContact CD2-CE1 4.32Å; Y354-Y361 AromaticContact CD2-CE2 3.95Å; Y354-Y361 HydrophobicContact CD2-CE2 3.95Å; Y354-Y361 HydrophobicContact CD2-CG 4.41Å; I358-Y361 WeakPolarHBondContact O-CB 2.96Å; I358-Y361 PolarHBondContact O-N 2.72Å; T359-Y361 VanDerWaalsContact C-N 3.31Å; T359-Y361 PolarHBondContact O-N 3.19Å; Y361-R364 PolarHBondContact O-N 2.81Å; Y361-S365 WeakPolarHBondContact O-CB 3.42Å; Y361-S365 PolarHBondContact O-N 2.89Å; Y361-S365 PolarHBondContact O-OG 2.65Å
362R98.2Very high97.5Very high135 Ų13561.9 Ų61.951%0.50931%0.305SS..Hα-helixtrans-64.9-41.8178.4-69.9175.8177.4160.30.9112.2V333 I358 T359 R364 S365 N368V333-R362 HydrophobicContact CG2-CG 3.92Å; I358-R362 WeakPolarHBondContact O-CG 3.29Å; I358-R362 PolarHBondContact O-N 2.91Å; T359-R362 PolarHBondContact O-N 3.48Å; T359-R362 VanDerWaalsContact O-N 3.15Å; R362-R364 VanDerWaalsContact C-N 3.28Å; R362-R364 PolarHBondContact O-N 2.98Å; R362-S365 PolarHBondContact O-N 3Å; R362-N368 PolarHBondContact O-ND2 3.08Å
363E98.2Very high97.5Very high111 Ų11161.4 Ų61.452%0.51930%0.301SS..Hα-helixtrans-65.4-29.6178.2-74.7173.3170.600113F316 T359 T360 F369F316-E363 WeakPolarHBondContact CZ-O 3.38Å; T359-E363 HydrophobicContact CG2-CG 4.36Å; T359-E363 WeakPolarHBondContact O-CG 3.39Å; T359-E363 PolarHBondContact O-N 3.35Å; T360-E363 PolarHBondContact O-N 2.81Å; E363-F369 WeakPolarHBondContact O-CE2 2.91Å
364R98Very high97.6Very high39 Ų3967.5 Ų67.515%0.14732%0.315CS..Hα-helixtrans-95.8-5.6179.1-67.5171.7-177.8-167.414.9114S270 L272 F308 L332 V351 T360 Y361 R362 P366S270-R364 VanDerWaalsContact O-CZ 3.31Å; S270-R364 PolarHBondContact O-NH1 2.8Å; S270-R364 PolarHBondContact O-NH2 3.28Å; L272-R364 VanDerWaalsContact O-CD 3.31Å; L272-R364 WeakPolarHBondContact O-CD 3.26Å; L272-R364 PolarHBondContact O-NH1 3.04Å; F308-R364 VanDerWaalsContact CE2-O 3.24Å; F308-R364 WeakPolarHBondContact CE2-O 3.44Å; F308-R364 WeakPolarHBondContact CZ-O 3.06Å; L332-R364 HydrophobicContact CD1-CB 3.68Å; V351-R364 PolarHBondContact O-NH1 2.96Å; T360-R364 WeakPolarHBondContact O-CB 3.23Å; T360-R364 WeakPolarHBondContact O-CG 3.37Å; T360-R364 PolarHBondContact O-N 3.26Å; T360-R364 VanDerWaalsContact O-N 3.1Å; Y361-R364 PolarHBondContact O-N 2.81Å; R362-R364 VanDerWaalsContact C-N 3.28Å; R362-R364 PolarHBondContact O-N 2.98Å; R364-P366 VanDerWaalsContact O-CD 3.25Å; R364-P366 WeakPolarHBondContact O-CD 3.48Å
365S98.4Very high97.8Very high0 Ų065.7 Ų65.70%031%0.31CS..  trans-82.8111.9179.6-68.20000111.4S330 L332 Y361 R362 V367 N368S330-S365 CarbonylContact O-C 3.58Å; L332-S365 PolarHBondContact N-OG 3.12Å; Y361-S365 WeakPolarHBondContact O-CB 3.42Å; Y361-S365 PolarHBondContact O-N 2.89Å; Y361-S365 PolarHBondContact O-OG 2.65Å; R362-S365 PolarHBondContact O-N 3Å; S365-V367 PolarHBondContact O-N 3.06Å; S365-V367 VanDerWaalsContact O-N 3.11Å; S365-N368 PolarHBondContact O-N 2.73Å
366P98.5Very high97.9Very high0 Ų062.9 Ų62.90%029%0.292CS..G310 helixtrans-58.3-28-177.1-28.638.3000114.4F308 L311 A312 A315 S330 R364 N368 F369 V370 M396F308-P366 HydrophobicContact CD2-CG 4.27Å; F308-P366 HydrophobicContact CE2-CG 4.22Å; L311-P366 HydrophobicContact CB-CB 3.71Å; L311-P366 HydrophobicContact CB-CG 3.74Å; A312-P366 HydrophobicContact CB-CG 3.97Å; A315-P366 HydrophobicContact CB-CB 4.21Å; S330-P366 WeakPolarHBondContact O-CD 3.2Å; R364-P366 VanDerWaalsContact O-CD 3.25Å; R364-P366 WeakPolarHBondContact O-CD 3.48Å; P366-N368 PolarHBondContact O-N 2.79Å; P366-N368 VanDerWaalsContact O-N 3.12Å; P366-F369 CarbonylContact O-C 3.36Å; P366-F369 PolarHBondContact O-N 3.28Å; P366-V370 PolarHBondContact O-N 2.77Å; P366-M396 HydrophobicContact CB-CE 4.41Å
367V98Very high98Very high8 Ų856.3 Ų56.35%0.04826%0.257CS..G310 helixtrans-57.9-26.3177.476.30000113.1S330 D331 S365 F369 V370 R395 M396 L399S330-V367 WeakPolarHBondContact O-CB 3.27Å; S330-V367 WeakPolarHBondContact O-CG1 3.33Å; S330-V367 PolarHBondContact O-N 3.32Å; D331-V367 HydrophobicContact CB-CG1 3.77Å; S365-V367 PolarHBondContact O-N 3.06Å; S365-V367 VanDerWaalsContact O-N 3.11Å; V367-F369 VanDerWaalsContact C-N 3.29Å; V367-V370 WeakPolarHBondContact O-CG2 3.43Å; V367-R395 HydrophobicContact CG2-CG 4.31Å; V367-M396 HydrophobicContact CB-SD 4.27Å; V367-M396 HydrophobicContact CG2-SD 4.29Å; V367-L399 HydrophobicContact CG2-CD1 3.69Å
368N98.2Very high98.1Very high77 Ų7751.9 Ų51.941%0.41224%0.237SC..G310 helixtrans-82.7-8.5178.7-64.4-34.8000112.9R362 S365 P366R362-N368 PolarHBondContact O-ND2 3.08Å; S365-N368 PolarHBondContact O-N 2.73Å; P366-N368 PolarHBondContact O-N 2.79Å; P366-N368 VanDerWaalsContact O-N 3.12Å
369F98.2Very high98.1Very high44 Ų4450 Ų5019%0.19323%0.227CC..G310 helixtrans-129.226.8-173.8-59.4-83000112.7A315 F316 E363 P366 V367 E371 R372A315-F369 HydrophobicContact CB-CB 4.33Å; F316-F369 HydrophobicContact CE1-CB 3.94Å; F316-F369 HydrophobicContact CE1-CD1 4.19Å; F316-F369 AromaticContact CE1-CD2 3.37Å; F316-F369 HydrophobicContact CE1-CD2 3.37Å; F316-F369 AromaticContact CE1-CE2 3.83Å; F316-F369 HydrophobicContact CE1-CE2 3.83Å; F316-F369 AromaticContact CE1-CG 3.56Å; F316-F369 HydrophobicContact CE1-CG 3.56Å; F316-F369 HydrophobicContact CE1-CZ 4.39Å; F316-F369 HydrophobicContact CZ-CB 4.41Å; F316-F369 AromaticContact CZ-CD2 3.44Å; F316-F369 HydrophobicContact CZ-CD2 3.44Å; F316-F369 VanDerWaalsContact CZ-CD2 3.44Å; F316-F369 AromaticContact CZ-CE2 3.88Å; F316-F369 HydrophobicContact CZ-CE2 3.88Å; F316-F369 HydrophobicContact CZ-CG 4.07Å; E363-F369 WeakPolarHBondContact O-CE2 2.91Å; P366-F369 CarbonylContact O-C 3.36Å; P366-F369 PolarHBondContact O-N 3.28Å; V367-F369 VanDerWaalsContact C-N 3.29Å; F369-E371 PolarHBondContact O-N 3.12Å; F369-R372 HydrophobicContact CB-CG 4.37Å; F369-R372 VanDerWaalsContact CD1-CZ 3.43Å; F369-R372 WeakPolarHBondContact O-CB 3.48Å; F369-R372 PolarHBondContact O-N 2.8Å
370V97.6Very high98.2Very high10 Ų1046.1 Ų46.16%0.06120%0.203CC..G310 helixtrans-49.2-34.8176.8172.50000112.3P366 V367 R372 I373 M396 L399 L400 K403P366-V370 PolarHBondContact O-N 2.77Å; V367-V370 WeakPolarHBondContact O-CG2 3.43Å; V370-R372 PolarHBondContact O-N 3.46Å; V370-R372 VanDerWaalsContact O-N 3.16Å; V370-I373 PolarHBondContact O-N 3.18Å; V370-I373 VanDerWaalsContact O-N 3.1Å; V370-M396 HydrophobicContact CG2-CE 3.87Å; V370-M396 HydrophobicContact CG2-SD 3.72Å; V370-L399 HydrophobicContact CB-CB 4.46Å; V370-L399 HydrophobicContact CG1-CB 4.03Å; V370-L399 HydrophobicContact CG2-CB 3.95Å; V370-L399 HydrophobicContact CG2-CD1 3.99Å; V370-L400 HydrophobicContact CG1-CD2 3.74Å; V370-L400 HydrophobicContact CG1-CG 4.23Å; V370-K403 HydrophobicContact CG1-CD 4.23Å
371E97.5Very high98.2Very high138 Ų13844.6 Ų44.665%0.64519%0.194SC*.G310 helixtrans-62.2-23.6179.5-66.9-54.7150.900114.6F369 K403F369-E371 PolarHBondContact O-N 3.12Å; E371-K403 PolarHBondContact O-NZ 3.23Å; E371-K403 IonicContact OE2-NZ 2.8Å; E371-K403 PolarHBondContact OE2-NZ 3.16Å
372R97.8Very high98.1Very high141 Ų14144.6 Ų44.653%0.53219%0.194SC..G310 helixtrans-82.7-20.2178.7-58.8-174.3-177.71761.4112.9A315 F369 V370 R374A315-R372 WeakPolarHBondContact O-CB 3.44Å; A315-R372 WeakPolarHBondContact O-CD 3.36Å; F369-R372 HydrophobicContact CB-CG 4.37Å; F369-R372 VanDerWaalsContact CD1-CZ 3.43Å; F369-R372 WeakPolarHBondContact O-CB 3.48Å; F369-R372 PolarHBondContact O-N 2.8Å; V370-R372 PolarHBondContact O-N 3.46Å; V370-R372 VanDerWaalsContact O-N 3.16Å; R372-R374 PolarHBondContact O-N 3.41Å
373I98.2Very high98.1Very high0 Ų039.6 Ų39.60%018%0.178CC..  trans-74.7122.7179.9-60.8173.8000109.3L314 A315 V370 V377 M396 L400 K403 L405L314-I373 HydrophobicContact CB-CG1 4.28Å; L314-I373 HydrophobicContact CB-CG2 4.17Å; A315-I373 HydrophobicContact CB-CD1 4.17Å; A315-I373 HydrophobicContact CB-CG1 3.87Å; V370-I373 PolarHBondContact O-N 3.18Å; V370-I373 VanDerWaalsContact O-N 3.1Å; I373-V377 HydrophobicContact CG2-CG2 3.94Å; I373-M396 HydrophobicContact CD1-CE 3.19Å; I373-L400 HydrophobicContact CB-CD2 4.12Å; I373-L400 HydrophobicContact CD1-CD2 4.15Å; I373-L400 HydrophobicContact CG2-CD2 3.99Å; I373-K403 VanDerWaalsContact O-CE 3.27Å; I373-K403 WeakPolarHBondContact O-CE 3.4Å; I373-L405 HydrophobicContact CG2-CD2 3.8Å
374R97.6Very high98Very high197 Ų19738.6 Ų38.674%0.74318%0.176SC*.  trans-118.5-22.6-179.4-62.3178.3-177.9-178.4-0.1113.8R372 L405R372-R374 PolarHBondContact O-N 3.41Å; R374-L405 VanDerWaalsContact O-CD1 3.29Å; R374-L405 WeakPolarHBondContact O-CD1 3.39Å
375A98Very high97.9Very high13 Ų1337.2 Ų37.211%0.10717%0.172CC..SBendtrans-83.6143.8179.500000110.9L314 F320 S321 V377 L405L314-A375 HydrophobicContact CD2-CB 3.88Å; F320-A375 WeakPolarHBondContact O-CB 3.31Å; S321-A375 WeakPolarHBondContact O-CB 2.96Å; A375-V377 WeakPolarHBondContact O-CG2 3.44Å; A375-L405 WeakPolarHBondContact O-CD2 3.2Å
376P98.3Very high97.7Very high23 Ų2345.8 Ų45.815%0.14921%0.209CC..  trans-52.5142173-28.137.1000113.3S321 G323 M406 F435 A439S321-P376 VanDerWaalsContact O-CD 3.27Å; S321-P376 WeakPolarHBondContact O-CD 3.22Å; G323-P376 PolarHBondContact N-O 3.37Å; P376-M406 VanDerWaalsContact CA-O 3.28Å; P376-M406 WeakPolarHBondContact CA-O 3.47Å; P376-M406 HydrophobicContact CB-CB 3.94Å; P376-M406 HydrophobicContact CB-CE 4.29Å; P376-M406 HydrophobicContact CB-CG 3.92Å; P376-M406 HydrophobicContact CB-SD 3.93Å; P376-M406 HydrophobicContact CG-CB 4.04Å; P376-M406 HydrophobicContact CG-CG 4.3Å; P376-M406 HydrophobicContact CG-SD 3.93Å; P376-F435 HydrophobicContact CB-CE1 4.19Å; P376-F435 HydrophobicContact CB-CE2 4.24Å; P376-F435 HydrophobicContact CB-CZ 3.49Å; P376-F435 VanDerWaalsContact CB-CZ 3.49Å; P376-A439 HydrophobicContact CB-CB 4.13Å; P376-A439 HydrophobicContact CG-CB 4.06Å
377V98.5Very high97.4Very high0 Ų048.5 Ų48.50%022%0.223CC..EExtended strand (participates in β ladder)trans-131.5124.7178.1-164.50000113.3L311 L314 G323 I373 A375 F379 L400 L405 M406 T407 S408 F435L311-V377 HydrophobicContact CD2-CG1 3.89Å; L314-V377 HydrophobicContact CD1-CG1 4.47Å; L314-V377 HydrophobicContact CD1-CG2 3.48Å; L314-V377 VanDerWaalsContact CD1-CG2 3.48Å; G323-V377 VanDerWaalsContact O-CA 3.31Å; G323-V377 WeakPolarHBondContact O-CA 3.11Å; I373-V377 HydrophobicContact CG2-CG2 3.94Å; A375-V377 WeakPolarHBondContact O-CG2 3.44Å; V377-F379 HydrophobicContact CB-CE2 4.17Å; V377-F379 HydrophobicContact CB-CZ 4.19Å; V377-F379 HydrophobicContact CG1-CE1 3.98Å; V377-F379 HydrophobicContact CG1-CE2 3.84Å; V377-F379 HydrophobicContact CG1-CZ 3.5Å; V377-L400 HydrophobicContact CB-CD1 4.08Å; V377-L400 HydrophobicContact CG2-CD1 4.19Å; V377-L405 HydrophobicContact CG2-CD2 4.4Å; V377-M406 PolarHBondContact N-O 2.85Å; V377-M406 VanDerWaalsContact N-O 3.11Å; V377-T407 WeakPolarHBondContact O-CA 3.33Å; V377-T407 VanDerWaalsContact O-CB 3.28Å; V377-T407 WeakPolarHBondContact O-CB 3.47Å; V377-T407 PolarHBondContact O-OG1 3.36Å; V377-S408 PolarHBondContact O-N 2.88Å; V377-F435 VanDerWaalsContact C-CZ 3.42Å
378A98.5Very high97.2Very high0 Ų048.2 Ų48.20%022%0.221CC..EExtended strand (participates in β ladder)trans-108.1151.6168.600000112.8G323 V324 C325 F380 S408 F435G323-A378 PolarHBondContact O-N 2.84Å; G323-A378 VanDerWaalsContact O-N 3.13Å; V324-A378 WeakPolarHBondContact CA-O 3.34Å; V324-A378 HydrophobicContact CG2-CB 4.13Å; C325-A378 PolarHBondContact N-O 3.04Å; A378-F380 HydrophobicContact CB-CE2 4.13Å; A378-S408 CarbonylContact C-O 3.58Å; A378-S408 WeakPolarHBondContact CA-O 3.28Å; A378-F435 HydrophobicContact CB-CB 4.26Å; A378-F435 HydrophobicContact CB-CD1 3.7Å; A378-F435 HydrophobicContact CB-CD2 3.62Å; A378-F435 HydrophobicContact CB-CE1 3.87Å; A378-F435 HydrophobicContact CB-CE2 3.78Å; A378-F435 HydrophobicContact CB-CG 3.56Å; A378-F435 HydrophobicContact CB-CZ 3.9Å
379F98.7Very high97.1Very high0 Ų046.4 Ų46.40%021%0.214CC..EExtended strand (participates in β ladder)trans-128.4138.2-176.2-58.7-84.1000111.3L311 C325 V377 I393 M396 H397 L400 T407 S408 L409 V410L311-F379 HydrophobicContact CD1-CE1 4.26Å; L311-F379 HydrophobicContact CD2-CE1 3.77Å; L311-F379 HydrophobicContact CD2-CZ 4.02Å; C325-F379 HydrophobicContact CB-CD1 3.77Å; C325-F379 HydrophobicContact CB-CE1 3.98Å; C325-F379 WeakPolarHBondContact O-CA 3.49Å; V377-F379 HydrophobicContact CB-CE2 4.17Å; V377-F379 HydrophobicContact CB-CZ 4.19Å; V377-F379 HydrophobicContact CG1-CE1 3.98Å; V377-F379 HydrophobicContact CG1-CE2 3.84Å; V377-F379 HydrophobicContact CG1-CZ 3.5Å; F379-I393 HydrophobicContact CB-CD1 3.88Å; F379-I393 HydrophobicContact CD1-CB 3.98Å; F379-I393 HydrophobicContact CD1-CG2 4.05Å; F379-I393 HydrophobicContact CG-CB 4.43Å; F379-M396 HydrophobicContact CE1-CB 4.38Å; F379-M396 HydrophobicContact CE1-CG 4.05Å; F379-M396 HydrophobicContact CZ-CB 4.2Å; F379-M396 HydrophobicContact CZ-CG 3.68Å; F379-H397 HydrophobicContact CD2-CB 3.98Å; F379-H397 HydrophobicContact CE2-CB 4.08Å; F379-L400 HydrophobicContact CE2-CD1 3.69Å; F379-L400 HydrophobicContact CZ-CD1 3.63Å; F379-T407 WeakPolarHBondContact CE2-OG1 3.42Å; F379-S408 VanDerWaalsContact CD2-O 3.31Å; F379-S408 WeakPolarHBondContact CD2-O 3.08Å; F379-S408 PolarHBondContact N-O 2.83Å; F379-L409 HydrophobicContact CB-CD1 3.77Å; F379-V410 PolarHBondContact O-N 2.69Å
380F98.5Very high97Very high0 Ų045 Ų450%021%0.209CC..EExtended strand (participates in β ladder)trans-134.9124.5176.1-62.9-94.5000109.9V324 C325 H326 Y327 A378 V410 F412 Y419 A428 E432V324-F380 HydrophobicContact CG1-CD2 3.61Å; V324-F380 HydrophobicContact CG1-CE2 3.59Å; C325-F380 PolarHBondContact O-N 2.75Å; C325-F380 VanDerWaalsContact O-N 3.12Å; H326-F380 WeakPolarHBondContact CA-O 3.38Å; H326-F380 AromaticContact CE1-CD2 3.62Å; H326-F380 AromaticContact CE1-CG 3.86Å; Y327-F380 PolarHBondContact N-O 2.95Å; A378-F380 HydrophobicContact CB-CE2 4.13Å; F380-V410 WeakPolarHBondContact CA-O 3.41Å; F380-V410 HydrophobicContact CD1-CB 3.63Å; F380-V410 HydrophobicContact CD1-CG1 4.16Å; F380-V410 HydrophobicContact CD1-CG2 3.96Å; F380-V410 HydrophobicContact CE1-CB 3.91Å; F380-V410 HydrophobicContact CE1-CG1 4.45Å; F380-V410 HydrophobicContact CE1-CG2 3.69Å; F380-V410 HydrophobicContact CG-CB 4.47Å; F380-V410 HydrophobicContact CZ-CG2 4.44Å; F380-F412 HydrophobicContact CB-CE2 4.14Å; F380-F412 HydrophobicContact CD1-CE2 4.15Å; F380-F412 HydrophobicContact CD1-CZ 4.1Å; F380-Y419 WeakPolarHBondContact CB-OH 3.45Å; F380-Y419 PolarHBondContact O-OH 3.4Å; F380-A428 HydrophobicContact CD1-CB 4.1Å; F380-E432 HydrophobicContact CE2-CB 4.25Å; F380-E432 HydrophobicContact CZ-CB 4.47Å
381H98.3Very high96.9Very high0 Ų049.6 Ų49.60%023%0.233CC..EExtended strand (participates in β ladder)trans-154.1142.8-172-145.5133.5000112.7Y327 D385 V388 V390 I393 V410 L411 F412Y327-H381 WeakPolarHBondContact CA-CE1 3.14Å; Y327-H381 WeakPolarHBondContact CA-ND1 3.47Å; Y327-H381 WeakPolarHBondContact CB-NE2 3.46Å; H381-D385 IonicContact CD2-OD2 2.7Å; H381-D385 IonicContact CE1-OD2 3.28Å; H381-D385 IonicContact NE2-OD2 2.74Å; H381-D385 PolarHBondContact NE2-OD2 2.86Å; H381-V388 PolarHBondContact CE1-O 3.3Å; H381-V388 PolarHBondContact NE2-O 3.33Å; H381-V390 HydrophobicContact CB-CG2 4.23Å; H381-I393 HydrophobicContact CB-CD1 3.28Å; H381-I393 HydrophobicContact CB-CG1 4.12Å; H381-I393 VanDerWaalsContact ND1-CD1 3.32Å; H381-I393 WeakPolarHBondContact ND1-CD1 3.47Å; H381-I393 VanDerWaalsContact ND1-CG1 3.27Å; H381-I393 WeakPolarHBondContact ND1-CG1 3.34Å; H381-V410 PolarHBondContact N-O 2.79Å; H381-L411 HydrophobicContact CB-CD2 4.13Å; H381-L411 CarbonylContact O-C 3.45Å; H381-L411 WeakPolarHBondContact O-CA 3.26Å; H381-F412 PolarHBondContact O-N 2.66Å
382G97.9Very high96.9Very high0 Ų043.6 Ų43.60%021%0.205CC..EExtended strand (participates in β ladder)trans-75.6143.6168.100000112.3D384 F412 E415G382-D384 VanDerWaalsContact C-N 3.3Å; G382-D384 PolarHBondContact O-N 3.44Å; G382-F412 WeakPolarHBondContact CA-O 3.22Å; G382-E415 CarbonylContact C-O 3.57Å; G382-E415 WeakPolarHBondContact CA-O 3.36Å
383T97.5Very high96.9Very high30 Ų3036.9 Ų36.918%0.18418%0.18CC..THydrogen-bonded Turntrans-73.3-22.5-179.557.60000113.7L411 F412 E413 G414 E415T383-L411 HydrophobicContact CG2-CB 4.24Å; T383-F412 PolarHBondContact N-O 2.77Å; T383-E413 WeakPolarHBondContact OG1-CA 3.39Å; T383-G414 PolarHBondContact OG1-N 2.89Å; T383-E415 PolarHBondContact N-O 2.77Å
384D96.6Very high96.8Very high90 Ų9040.9 Ų40.948%0.48120%0.197SC..THydrogen-bonded Turntrans-103.918-173.5-6711.5000111.8G382 K386 E415G382-D384 VanDerWaalsContact C-N 3.3Å; G382-D384 PolarHBondContact O-N 3.44Å; D384-K386 PolarHBondContact O-N 3.41Å; D384-E415 WeakPolarHBondContact CA-O 3.47Å; D384-E415 PolarHBondContact N-O 3.32Å
385D95.8Very high96.8Very high10 Ų1037.9 Ų37.95%0.05319%0.186CC..  trans-66.1112.2178.4-170.9-11.6000111.6H381 I387 V388 H417H381-D385 IonicContact CD2-OD2 2.7Å; H381-D385 IonicContact CE1-OD2 3.28Å; H381-D385 IonicContact NE2-OD2 2.74Å; H381-D385 PolarHBondContact NE2-OD2 2.86Å; D385-I387 PolarHBondContact OD1-N 2.9Å; D385-V388 WeakPolarHBondContact CB-O 3.32Å; D385-V388 PolarHBondContact OD1-N 3.37Å; D385-H417 VanDerWaalsContact CG-ND1 3.31Å; D385-H417 VanDerWaalsContact OD1-CB 3.32Å; D385-H417 WeakPolarHBondContact OD1-CB 3.26Å; D385-H417 IonicContact OD1-CG 3.66Å; D385-H417 IonicContact OD1-ND1 3.57Å; D385-H417 PolarHBondContact OD1-ND1 3.18Å; D385-H417 VanDerWaalsContact OD1-ND1 3.16Å; D385-H417 IonicContact OD2-CE1 2.75Å; D385-H417 IonicContact OD2-CG 2.81Å; D385-H417 IonicContact OD2-ND1 2.85Å; D385-H417 PolarHBondContact OD2-ND1 2.81Å
386K92.6Very high96.8Very high180 Ų18037.3 Ų37.378%0.78318%0.181SC*.SBendtrans-95.4-5.6178.7-63.3-176.1-179177.50113.9D384D384-K386 PolarHBondContact O-N 3.41Å
387I92.2Very high96.8Very high58 Ų5837.5 Ų37.530%0.29718%0.18SC..SBendtrans-93.3-49.5179-53.5-56.6000108.9L335 D385 H417L335-I387 WeakPolarHBondContact CD1-O 3.46Å; D385-I387 PolarHBondContact OD1-N 2.9Å; I387-H417 HydrophobicContact CB-CB 4.09Å; I387-H417 HydrophobicContact CG1-CB 3.81Å
388V94.8Very high96.8Very high1 Ų141 Ų411%0.00620%0.196CC..SBendtrans-122.2101.1173.6-176.70000108.1G328 I329 L335 H381 D385 V390 Q392G328-V388 WeakPolarHBondContact O-CG1 3.29Å; I329-V388 HydrophobicContact CD1-CG2 4.39Å; I329-V388 HydrophobicContact CG1-CG1 3.98Å; I329-V388 HydrophobicContact CG1-CG2 3.74Å; L335-V388 HydrophobicContact CD1-CG2 4.22Å; H381-V388 PolarHBondContact CE1-O 3.3Å; H381-V388 PolarHBondContact NE2-O 3.33Å; D385-V388 WeakPolarHBondContact CB-O 3.32Å; D385-V388 PolarHBondContact OD1-N 3.37Å; V388-V390 PolarHBondContact O-N 3.08Å; V388-Q392 HydrophobicContact CG1-CB 4.34Å; V388-Q392 HydrophobicContact CG1-CG 4.03Å
389P95.1Very high96.8Very high39 Ų3944 Ų4425%0.25321%0.212SC..  trans-55.4132.4-177.9-27.234.8000112D391 Q392P389-D391 PolarHBondContact O-N 2.91Å; P389-Q392 WeakPolarHBondContact O-CB 3.44Å; P389-Q392 WeakPolarHBondContact O-CG 3.26Å; P389-Q392 PolarHBondContact O-N 2.98Å
390V96.6Very high96.8Very high16 Ų1644 Ų4410%0.09721%0.212CC..THydrogen-bonded Turntrans-55.8-23.4-176.869.20000113.8H381 V388 Q392 I393 K394 L411H381-V390 HydrophobicContact CB-CG2 4.23Å; V388-V390 PolarHBondContact O-N 3.08Å; V390-Q392 PolarHBondContact O-N 2.71Å; V390-I393 HydrophobicContact CG2-CG1 4.33Å; V390-I393 VanDerWaalsContact O-CG1 3.28Å; V390-I393 WeakPolarHBondContact O-CG1 3.45Å; V390-I393 PolarHBondContact O-N 2.72Å; V390-K394 HydrophobicContact CG1-CD 4.36Å; V390-K394 HydrophobicContact CG2-CD 4.36Å; V390-K394 HydrophobicContact CG2-CG 4.32Å; V390-K394 PolarHBondContact O-N 3.17Å; V390-K394 VanDerWaalsContact O-N 3.09Å; V390-L411 HydrophobicContact CG2-CD2 3.62Å
391D96.6Very high96.7Very high106 Ų10650 Ų5057%0.56724%0.238SC*.Hα-helixtrans-60.4-27.2177.2-70.9-17.4000113.1P389 K394 R395P389-D391 PolarHBondContact O-N 2.91Å; D391-K394 PolarHBondContact O-N 3.08Å; D391-R395 VanDerWaalsContact O-CB 3.26Å; D391-R395 WeakPolarHBondContact O-CB 3.36Å; D391-R395 PolarHBondContact O-N 3.45Å
392Q96.7Very high96.7Very high12 Ų1259.1 Ų59.16%0.05627%0.272CS..Hα-helixtrans-49.5-61.3171-73.7-86-7.100110.7S330 D331 V388 P389 V390 M396S330-Q392 PolarHBondContact OG-O 3.45Å; S330-Q392 VanDerWaalsContact OG-O 3.09Å; S330-Q392 PolarHBondContact OG-OE1 3.01Å; D331-Q392 PolarHBondContact O-NE2 3.24Å; V388-Q392 HydrophobicContact CG1-CB 4.34Å; V388-Q392 HydrophobicContact CG1-CG 4.03Å; P389-Q392 WeakPolarHBondContact O-CB 3.44Å; P389-Q392 WeakPolarHBondContact O-CG 3.26Å; P389-Q392 PolarHBondContact O-N 2.98Å; V390-Q392 PolarHBondContact O-N 2.71Å; Q392-M396 PolarHBondContact O-N 2.94Å; Q392-M396 VanDerWaalsContact O-N 3.12Å
393I97.2Very high96.6Very high0 Ų062.8 Ų62.80%029%0.288CS..Hα-helixtrans-78.6-28.4-174.966.8147.4000112.6F379 H381 V390 R395 M396 H397 L409 L411F379-I393 HydrophobicContact CB-CD1 3.88Å; F379-I393 HydrophobicContact CD1-CB 3.98Å; F379-I393 HydrophobicContact CD1-CG2 4.05Å; F379-I393 HydrophobicContact CG-CB 4.43Å; H381-I393 HydrophobicContact CB-CD1 3.28Å; H381-I393 HydrophobicContact CB-CG1 4.12Å; H381-I393 VanDerWaalsContact ND1-CD1 3.32Å; H381-I393 WeakPolarHBondContact ND1-CD1 3.47Å; H381-I393 VanDerWaalsContact ND1-CG1 3.27Å; H381-I393 WeakPolarHBondContact ND1-CG1 3.34Å; V390-I393 HydrophobicContact CG2-CG1 4.33Å; V390-I393 VanDerWaalsContact O-CG1 3.28Å; V390-I393 WeakPolarHBondContact O-CG1 3.45Å; V390-I393 PolarHBondContact O-N 2.72Å; I393-R395 VanDerWaalsContact C-N 3.32Å; I393-R395 PolarHBondContact O-N 3.04Å; I393-M396 PolarHBondContact O-N 3Å; I393-H397 VanDerWaalsContact O-CB 3.29Å; I393-H397 WeakPolarHBondContact O-CB 3.18Å; I393-H397 PolarHBondContact O-N 2.92Å; I393-L409 HydrophobicContact CD1-CD1 3.34Å; I393-L409 HydrophobicContact CG1-CD1 4.33Å; I393-L411 HydrophobicContact CD1-CD2 4.32Å
394K97.7Very high96.6Very high83 Ų8364.1 Ų64.136%0.36131%0.308SS..Hα-helixtrans-61.8-45.5175.5-77.1176.5176.4172.40109.8V390 D391 E398 L409V390-K394 HydrophobicContact CG1-CD 4.36Å; V390-K394 HydrophobicContact CG2-CD 4.36Å; V390-K394 HydrophobicContact CG2-CG 4.32Å; V390-K394 PolarHBondContact O-N 3.17Å; V390-K394 VanDerWaalsContact O-N 3.09Å; D391-K394 PolarHBondContact O-N 3.08Å; K394-E398 WeakPolarHBondContact O-CB 3.29Å; K394-E398 PolarHBondContact O-N 3.34Å; K394-L409 HydrophobicContact CG-CD2 4.23Å
395R97.8Very high96.6Very high135 Ų13561.3 Ų61.351%0.50929%0.293SS..Hα-helixtrans-62.7-46.4175.2-177.3176.8179.2-162.4-3.4111.1D331 V367 D391 I393 E398 L399D331-R395 IonicContact OD2-NH1 3.62Å; D331-R395 PolarHBondContact OD2-NH1 3.02Å; V367-R395 HydrophobicContact CG2-CG 4.31Å; D391-R395 VanDerWaalsContact O-CB 3.26Å; D391-R395 WeakPolarHBondContact O-CB 3.36Å; D391-R395 PolarHBondContact O-N 3.45Å; I393-R395 VanDerWaalsContact C-N 3.32Å; I393-R395 PolarHBondContact O-N 3.04Å; R395-E398 PolarHBondContact O-N 3.07Å; R395-L399 HydrophobicContact CG-CD1 4.15Å; R395-L399 VanDerWaalsContact O-CG 3.3Å; R395-L399 WeakPolarHBondContact O-CG 3.47Å; R395-L399 PolarHBondContact O-N 3.09Å; R395-L399 VanDerWaalsContact O-N 3.08Å
396M98Very high96.6Very high0 Ų062.9 Ų62.90%030%0.3CS..Hα-helixtrans-60.1-48.2178.7-168.765.1-18000112.2L311 P366 V367 V370 I373 F379 Q392 I393 E398 L399 L400L311-M396 HydrophobicContact CD1-CG 4.37Å; L311-M396 HydrophobicContact CD2-CE 4.27Å; P366-M396 HydrophobicContact CB-CE 4.41Å; V367-M396 HydrophobicContact CB-SD 4.27Å; V367-M396 HydrophobicContact CG2-SD 4.29Å; V370-M396 HydrophobicContact CG2-CE 3.87Å; V370-M396 HydrophobicContact CG2-SD 3.72Å; I373-M396 HydrophobicContact CD1-CE 3.19Å; F379-M396 HydrophobicContact CE1-CB 4.38Å; F379-M396 HydrophobicContact CE1-CG 4.05Å; F379-M396 HydrophobicContact CZ-CB 4.2Å; F379-M396 HydrophobicContact CZ-CG 3.68Å; Q392-M396 PolarHBondContact O-N 2.94Å; Q392-M396 VanDerWaalsContact O-N 3.12Å; I393-M396 PolarHBondContact O-N 3Å; M396-E398 PolarHBondContact O-N 2.73Å; M396-L399 PolarHBondContact O-N 3.2Å; M396-L400 HydrophobicContact CE-CD1 4.27Å; M396-L400 HydrophobicContact CE-CD2 4.47Å; M396-L400 HydrophobicContact CE-CG 4.48Å; M396-L400 HydrophobicContact CG-CD1 4.11Å; M396-L400 WeakPolarHBondContact O-CG 3.35Å; M396-L400 PolarHBondContact O-N 2.82Å
397H98.2Very high96.8Very high28 Ų2855 Ų5513%0.1327%0.268CS..Hα-helixtrans-59.9-45.3178.1174.967000112F379 I393 L399 L400 K401 T407 L409F379-H397 HydrophobicContact CD2-CB 3.98Å; F379-H397 HydrophobicContact CE2-CB 4.08Å; I393-H397 VanDerWaalsContact O-CB 3.29Å; I393-H397 WeakPolarHBondContact O-CB 3.18Å; I393-H397 PolarHBondContact O-N 2.92Å; H397-L399 VanDerWaalsContact C-N 3.34Å; H397-L399 PolarHBondContact O-N 2.99Å; H397-L400 PolarHBondContact O-N 3.21Å; H397-K401 VanDerWaalsContact O-CB 3.28Å; H397-K401 WeakPolarHBondContact O-CB 3.46Å; H397-K401 PolarHBondContact O-N 3.41Å; H397-T407 WeakPolarHBondContact ND1-CG2 3.45Å; H397-T407 PolarHBondContact ND1-OG1 3.37Å; H397-L409 HydrophobicContact CB-CB 4.36Å; H397-L409 HydrophobicContact CB-CD2 4.3Å
398E98.2Very high97Very high74 Ų7453 Ų5335%0.34626%0.259SS..Hα-helixtrans-61.9-40.5178.117860.9-165.800112K394 R395 M396 K401 R402K394-E398 WeakPolarHBondContact O-CB 3.29Å; K394-E398 PolarHBondContact O-N 3.34Å; R395-E398 PolarHBondContact O-N 3.07Å; M396-E398 PolarHBondContact O-N 2.73Å; E398-K401 PolarHBondContact O-N 3.29Å; E398-R402 VanDerWaalsContact O-CG 3.31Å; E398-R402 WeakPolarHBondContact O-CG 3.31Å; E398-R402 PolarHBondContact O-N 3.01Å; E398-R402 IonicContact OE1-CZ 3.66Å; E398-R402 VanDerWaalsContact OE1-CZ 3.28Å; E398-R402 IonicContact OE1-NE 3.31Å; E398-R402 PolarHBondContact OE1-NE 3.49Å; E398-R402 IonicContact OE1-NH2 3.66Å; E398-R402 PolarHBondContact OE1-NH2 2.77Å
399L98.2Very high97.2Very high61 Ų6155.2 Ų55.232%0.31927%0.27SS..Hα-helixtrans-65.2-43.8176.5-68.4169.9000111.9V367 V370 R395 M396 H397 R402 K403V367-L399 HydrophobicContact CG2-CD1 3.69Å; V370-L399 HydrophobicContact CB-CB 4.46Å; V370-L399 HydrophobicContact CG1-CB 4.03Å; V370-L399 HydrophobicContact CG2-CB 3.95Å; V370-L399 HydrophobicContact CG2-CD1 3.99Å; R395-L399 HydrophobicContact CG-CD1 4.15Å; R395-L399 VanDerWaalsContact O-CG 3.3Å; R395-L399 WeakPolarHBondContact O-CG 3.47Å; R395-L399 PolarHBondContact O-N 3.09Å; R395-L399 VanDerWaalsContact O-N 3.08Å; M396-L399 PolarHBondContact O-N 3.2Å; H397-L399 VanDerWaalsContact C-N 3.34Å; H397-L399 PolarHBondContact O-N 2.99Å; L399-R402 PolarHBondContact O-N 3.13Å; L399-K403 PolarHBondContact O-N 3.3Å; L399-K403 VanDerWaalsContact O-N 3.15Å
400L98.1Very high97.3Very high0 Ų054.4 Ų54.40%026%0.264CS..Hα-helixtrans-65.6-39.3176.9-67.3166.6000111.9V370 I373 V377 F379 M396 H397 K403 G404 L405 T407V370-L400 HydrophobicContact CG1-CD2 3.74Å; V370-L400 HydrophobicContact CG1-CG 4.23Å; I373-L400 HydrophobicContact CB-CD2 4.12Å; I373-L400 HydrophobicContact CD1-CD2 4.15Å; I373-L400 HydrophobicContact CG2-CD2 3.99Å; V377-L400 HydrophobicContact CB-CD1 4.08Å; V377-L400 HydrophobicContact CG2-CD1 4.19Å; F379-L400 HydrophobicContact CE2-CD1 3.69Å; F379-L400 HydrophobicContact CZ-CD1 3.63Å; M396-L400 HydrophobicContact CE-CD1 4.27Å; M396-L400 HydrophobicContact CE-CD2 4.47Å; M396-L400 HydrophobicContact CE-CG 4.48Å; M396-L400 HydrophobicContact CG-CD1 4.11Å; M396-L400 WeakPolarHBondContact O-CG 3.35Å; M396-L400 PolarHBondContact O-N 2.82Å; H397-L400 PolarHBondContact O-N 3.21Å; L400-K403 WeakPolarHBondContact O-CB 3.29Å; L400-K403 PolarHBondContact O-N 3.06Å; L400-G404 PolarHBondContact O-N 2.85Å; L400-L405 HydrophobicContact CB-CD2 4.41Å; L400-L405 HydrophobicContact CD2-CD2 3.54Å; L400-L405 HydrophobicContact CG-CD2 4.43Å; L400-L405 PolarHBondContact O-N 3.44Å; L400-L405 VanDerWaalsContact O-N 3.14Å; L400-T407 HydrophobicContact CB-CG2 4.05Å
401K97.6Very high97.4Very high127 Ų12756.9 Ų56.955%0.55228%0.277SS*.Hα-helixtrans-63.6-43.5176.2-174.2178-179.2179.10111.7H397 E398 K403 G404 T407H397-K401 VanDerWaalsContact O-CB 3.28Å; H397-K401 WeakPolarHBondContact O-CB 3.46Å; H397-K401 PolarHBondContact O-N 3.41Å; E398-K401 PolarHBondContact O-N 3.29Å; K401-K403 VanDerWaalsContact C-N 3.27Å; K401-K403 PolarHBondContact O-N 3.4Å; K401-G404 PolarHBondContact O-N 2.95Å; K401-T407 HydrophobicContact CB-CG2 4.07Å
402R97.5Very high97.4Very high191 Ų19152.2 Ų52.272%0.72125%0.251SS*.Hα-helixtrans-62.5-33175.3-75.5177.6-173.3-135.3-2.5113.2E398 L399 G404E398-R402 VanDerWaalsContact O-CG 3.31Å; E398-R402 WeakPolarHBondContact O-CG 3.31Å; E398-R402 PolarHBondContact O-N 3.01Å; E398-R402 IonicContact OE1-CZ 3.66Å; E398-R402 VanDerWaalsContact OE1-CZ 3.28Å; E398-R402 IonicContact OE1-NE 3.31Å; E398-R402 PolarHBondContact OE1-NE 3.49Å; E398-R402 IonicContact OE1-NH2 3.66Å; E398-R402 PolarHBondContact OE1-NH2 2.77Å; L399-R402 PolarHBondContact O-N 3.13Å; R402-G404 PolarHBondContact O-N 3.39Å
403K96Very high97.4Very high78 Ų7859.1 Ų59.134%0.33928%0.283SS..THydrogen-bonded Turntrans-70.3-13.5173.8-177.9176.7174.666.30112.8V370 E371 I373 L399 L400 K401V370-K403 HydrophobicContact CG1-CD 4.23Å; E371-K403 PolarHBondContact O-NZ 3.23Å; E371-K403 IonicContact OE2-NZ 2.8Å; E371-K403 PolarHBondContact OE2-NZ 3.16Å; I373-K403 VanDerWaalsContact O-CE 3.27Å; I373-K403 WeakPolarHBondContact O-CE 3.4Å; L399-K403 PolarHBondContact O-N 3.3Å; L399-K403 VanDerWaalsContact O-N 3.15Å; L400-K403 WeakPolarHBondContact O-CB 3.29Å; L400-K403 PolarHBondContact O-N 3.06Å; K401-K403 VanDerWaalsContact C-N 3.27Å; K401-K403 PolarHBondContact O-N 3.4Å
404G96.6Very high97.4Very high58 Ų5861.4 Ų61.460%0.59831%0.307SS*.THydrogen-bonded Turntrans79.917.2-176.500000113.7L400 K401 R402L400-G404 PolarHBondContact O-N 2.85Å; K401-G404 PolarHBondContact O-N 2.95Å; R402-G404 PolarHBondContact O-N 3.39Å
405L96.7Very high97.4Very high31 Ų3157.9 Ų57.916%0.16229%0.292CS..  trans-78145.3176.6-168.974.9000110.6I373 R374 A375 V377 L400 T407I373-L405 HydrophobicContact CG2-CD2 3.8Å; R374-L405 VanDerWaalsContact O-CD1 3.29Å; R374-L405 WeakPolarHBondContact O-CD1 3.39Å; A375-L405 WeakPolarHBondContact O-CD2 3.2Å; V377-L405 HydrophobicContact CG2-CD2 4.4Å; L400-L405 HydrophobicContact CB-CD2 4.41Å; L400-L405 HydrophobicContact CD2-CD2 3.54Å; L400-L405 HydrophobicContact CG-CD2 4.43Å; L400-L405 PolarHBondContact O-N 3.44Å; L400-L405 VanDerWaalsContact O-N 3.14Å; L405-T407 PolarHBondContact O-N 3.49Å; L405-T407 VanDerWaalsContact O-N 3.09Å
406M95.8Very high97.2Very high42 Ų4252.6 Ų52.621%0.20728%0.279CS..  trans-60.2113.6169.3175.6178.8158.600109.7P376 V377 F435 Q438 A439P376-M406 VanDerWaalsContact CA-O 3.28Å; P376-M406 WeakPolarHBondContact CA-O 3.47Å; P376-M406 HydrophobicContact CB-CB 3.94Å; P376-M406 HydrophobicContact CB-CE 4.29Å; P376-M406 HydrophobicContact CB-CG 3.92Å; P376-M406 HydrophobicContact CB-SD 3.93Å; P376-M406 HydrophobicContact CG-CB 4.04Å; P376-M406 HydrophobicContact CG-CG 4.3Å; P376-M406 HydrophobicContact CG-SD 3.93Å; V377-M406 PolarHBondContact N-O 2.85Å; V377-M406 VanDerWaalsContact N-O 3.11Å; M406-F435 HydrophobicContact CE-CD2 3.75Å; M406-F435 HydrophobicContact CE-CE2 3.45Å; M406-F435 VanDerWaalsContact CE-CE2 3.45Å; M406-F435 HydrophobicContact CE-CZ 4.12Å; M406-F435 HydrophobicContact CG-CE2 4.26Å; M406-Q438 HydrophobicContact CE-CB 4.04Å; M406-A439 HydrophobicContact CE-CB 4.14Å
407T97.8Very high97Very high16 Ų1655 Ų5510%0.09829%0.291CS..EExtended strand (participates in β ladder)trans-146.8154.6179-1760000112.3V377 F379 H397 L400 K401 L405V377-T407 WeakPolarHBondContact O-CA 3.33Å; V377-T407 VanDerWaalsContact O-CB 3.28Å; V377-T407 WeakPolarHBondContact O-CB 3.47Å; V377-T407 PolarHBondContact O-OG1 3.36Å; F379-T407 WeakPolarHBondContact CE2-OG1 3.42Å; H397-T407 WeakPolarHBondContact ND1-CG2 3.45Å; H397-T407 PolarHBondContact ND1-OG1 3.37Å; L400-T407 HydrophobicContact CB-CG2 4.05Å; K401-T407 HydrophobicContact CB-CG2 4.07Å; L405-T407 PolarHBondContact O-N 3.49Å; L405-T407 VanDerWaalsContact O-N 3.09Å
408S96.7Very high96.8Very high16 Ų1653.9 Ų53.911%0.11229%0.286CS..EExtended strand (participates in β ladder)trans-139.4150.2177.5-1580000112.4V377 A378 F379 Y455V377-S408 PolarHBondContact O-N 2.88Å; A378-S408 CarbonylContact C-O 3.58Å; A378-S408 WeakPolarHBondContact CA-O 3.28Å; F379-S408 VanDerWaalsContact CD2-O 3.31Å; F379-S408 WeakPolarHBondContact CD2-O 3.08Å; F379-S408 PolarHBondContact N-O 2.83Å; S408-Y455 WeakPolarHBondContact OG-CD1 3.36Å; S408-Y455 WeakPolarHBondContact OG-CE1 2.98Å
409L98Very high96.5Very high47 Ų4751.5 Ų51.525%0.24628%0.275CS..EExtended strand (participates in β ladder)trans-135.1118.1176.4174.460.2000109.7F379 I393 K394 H397 L411F379-L409 HydrophobicContact CB-CD1 3.77Å; I393-L409 HydrophobicContact CD1-CD1 3.34Å; I393-L409 HydrophobicContact CG1-CD1 4.33Å; K394-L409 HydrophobicContact CG-CD2 4.23Å; H397-L409 HydrophobicContact CB-CB 4.36Å; H397-L409 HydrophobicContact CB-CD2 4.3Å; L409-L411 HydrophobicContact CD1-CD2 3.73Å; L409-L411 HydrophobicContact CD1-CG 4.18Å; L409-L411 HydrophobicContact CD2-CD1 4.45Å; L409-L411 HydrophobicContact CD2-CD2 4.47Å; L409-L411 HydrophobicContact CD2-CG 4.38Å; L409-L411 HydrophobicContact CG-CD2 4.19Å; L409-L411 HydrophobicContact CG-CG 4.1Å
410V98Very high96.2Very high22 Ų2257.4 Ų57.413%0.13329%0.292CS..EExtended strand (participates in β ladder)trans-112.8119171.8-176.20000108.5F379 F380 H381 F412 T427 I453F379-V410 PolarHBondContact O-N 2.69Å; F380-V410 WeakPolarHBondContact CA-O 3.41Å; F380-V410 HydrophobicContact CD1-CB 3.63Å; F380-V410 HydrophobicContact CD1-CG1 4.16Å; F380-V410 HydrophobicContact CD1-CG2 3.96Å; F380-V410 HydrophobicContact CE1-CB 3.91Å; F380-V410 HydrophobicContact CE1-CG1 4.45Å; F380-V410 HydrophobicContact CE1-CG2 3.69Å; F380-V410 HydrophobicContact CG-CB 4.47Å; F380-V410 HydrophobicContact CZ-CG2 4.44Å; H381-V410 PolarHBondContact N-O 2.79Å; V410-F412 HydrophobicContact CG1-CD1 4.44Å; V410-F412 HydrophobicContact CG1-CE1 3.8Å; V410-F412 HydrophobicContact CG1-CE2 4.31Å; V410-F412 HydrophobicContact CG1-CZ 3.73Å; V410-T427 HydrophobicContact CG1-CG2 4.47Å; V410-I453 HydrophobicContact CG2-CD1 3.78Å
411L98.1Very high96Very high67 Ų6760.4 Ų60.435%0.35131%0.311SS..EExtended strand (participates in β ladder)trans-105133.7176.3-62.8179.6000109.8H381 T383 V390 I393 L409H381-L411 HydrophobicContact CB-CD2 4.13Å; H381-L411 CarbonylContact O-C 3.45Å; H381-L411 WeakPolarHBondContact O-CA 3.26Å; T383-L411 HydrophobicContact CG2-CB 4.24Å; V390-L411 HydrophobicContact CG2-CD2 3.62Å; I393-L411 HydrophobicContact CD1-CD2 4.32Å; L409-L411 HydrophobicContact CD1-CD2 3.73Å; L409-L411 HydrophobicContact CD1-CG 4.18Å; L409-L411 HydrophobicContact CD2-CD1 4.45Å; L409-L411 HydrophobicContact CD2-CD2 4.47Å; L409-L411 HydrophobicContact CD2-CG 4.38Å; L409-L411 HydrophobicContact CG-CD2 4.19Å; L409-L411 HydrophobicContact CG-CG 4.1Å
412F97.8Very high95.8Very high8 Ų858.8 Ų58.84%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-105.9104.9176.3-58.2-68.6000109.7F380 H381 G382 T383 V410 G414 E415 Y419 N424 T427 A428F380-F412 HydrophobicContact CB-CE2 4.14Å; F380-F412 HydrophobicContact CD1-CE2 4.15Å; F380-F412 HydrophobicContact CD1-CZ 4.1Å; H381-F412 PolarHBondContact O-N 2.66Å; G382-F412 WeakPolarHBondContact CA-O 3.22Å; T383-F412 PolarHBondContact N-O 2.77Å; V410-F412 HydrophobicContact CG1-CD1 4.44Å; V410-F412 HydrophobicContact CG1-CE1 3.8Å; V410-F412 HydrophobicContact CG1-CE2 4.31Å; V410-F412 HydrophobicContact CG1-CZ 3.73Å; F412-G414 PolarHBondContact O-N 2.67Å; F412-E415 HydrophobicContact CB-CB 3.92Å; F412-E415 HydrophobicContact CB-CG 3.65Å; F412-E415 PolarHBondContact O-N 2.93Å; F412-Y419 AromaticContact CD2-CD1 3.62Å; F412-Y419 HydrophobicContact CD2-CD1 3.62Å; F412-Y419 AromaticContact CD2-CE1 3.48Å; F412-Y419 HydrophobicContact CD2-CE1 3.48Å; F412-Y419 VanDerWaalsContact CD2-CE1 3.48Å; F412-Y419 HydrophobicContact CD2-CG 4.29Å; F412-Y419 HydrophobicContact CE2-CD1 4.02Å; F412-Y419 HydrophobicContact CE2-CD2 4.38Å; F412-Y419 AromaticContact CE2-CE1 3.71Å; F412-Y419 HydrophobicContact CE2-CE1 3.71Å; F412-Y419 HydrophobicContact CE2-CE2 4.09Å; F412-Y419 HydrophobicContact CE2-CG 4.37Å; F412-Y419 AromaticContact CE2-CZ 3.75Å; F412-Y419 HydrophobicContact CG-CD1 4.46Å; F412-N424 HydrophobicContact CD1-CB 3.69Å; F412-N424 VanDerWaalsContact CD1-CG 3.48Å; F412-N424 WeakPolarHBondContact CD1-OD1 3.32Å; F412-N424 HydrophobicContact CE1-CB 3.97Å; F412-N424 HydrophobicContact CG-CB 4.08Å; F412-T427 HydrophobicContact CE1-CG2 3.91Å; F412-T427 HydrophobicContact CZ-CG2 4.27Å; F412-A428 HydrophobicContact CE2-CB 4.03Å; F412-A428 HydrophobicContact CZ-CB 3.86Å
413E96.2Very high95.6Very high157 Ų15752.3 Ų52.373%0.73429%0.292SS*.THydrogen-bonded Turntrans-60.4130.7-179.2-168.166.3-152.700111.2T383 E415T383-E413 WeakPolarHBondContact OG1-CA 3.39Å; E413-E415 PolarHBondContact O-N 2.88Å
414G95.7Very high95.6Very high48 Ų4850 Ų5050%0.49528%0.284SS..THydrogen-bonded Turntrans76-3.2178.900000115.6T383 F412T383-G414 PolarHBondContact OG1-N 2.89Å; F412-G414 PolarHBondContact O-N 2.67Å
415E97.6Very high95.5Very high9 Ų950.9 Ų50.94%0.04227%0.274CS..  trans-81.9143.9172.5-67.5-75.9-17600110.8G382 T383 D384 F412 E413 Y419 R420 T421 N424G382-E415 CarbonylContact C-O 3.57Å; G382-E415 WeakPolarHBondContact CA-O 3.36Å; T383-E415 PolarHBondContact N-O 2.77Å; D384-E415 WeakPolarHBondContact CA-O 3.47Å; D384-E415 PolarHBondContact N-O 3.32Å; F412-E415 HydrophobicContact CB-CB 3.92Å; F412-E415 HydrophobicContact CB-CG 3.65Å; F412-E415 PolarHBondContact O-N 2.93Å; E413-E415 PolarHBondContact O-N 2.88Å; E415-Y419 WeakPolarHBondContact OE2-CA 3.36Å; E415-R420 PolarHBondContact OE1-N 3.32Å; E415-R420 PolarHBondContact OE2-N 2.71Å; E415-T421 VanDerWaalsContact OE1-CB 3.23Å; E415-T421 WeakPolarHBondContact OE1-CB 3.32Å; E415-T421 PolarHBondContact OE1-N 2.97Å; E415-T421 PolarHBondContact OE1-OG1 3.31Å; E415-N424 VanDerWaalsContact CG-ND2 3.27Å; E415-N424 WeakPolarHBondContact CG-ND2 3.31Å; E415-N424 PolarHBondContact OE1-ND2 2.78Å
416G95.1Very high95.4Very high24 Ų2456.4 Ų56.425%0.24729%0.293CS..  trans-94.6-142.4177.200000113.4G418G416-G418 PolarHBondContact O-N 3.13Å
417H93.5Very high95.4Very high51 Ų5157.1 Ų57.124%0.23630%0.299CS..SBendtrans-72.892.9174.4-159.363.8000111S304 Y327 D385 I387S304-H417 VanDerWaalsContact CB-NE2 3.26Å; S304-H417 WeakPolarHBondContact CB-NE2 3.21Å; S304-H417 PolarHBondContact OG-CE1 3.04Å; S304-H417 PolarHBondContact OG-NE2 3.4Å; Y327-H417 AromaticContact CD2-CE1 3.49Å; Y327-H417 VanDerWaalsContact CD2-CE1 3.49Å; Y327-H417 WeakPolarHBondContact CD2-CE1 3.2Å; Y327-H417 AromaticContact CD2-ND1 3.75Å; Y327-H417 AromaticContact CD2-NE2 3.9Å; D385-H417 VanDerWaalsContact CG-ND1 3.31Å; D385-H417 VanDerWaalsContact OD1-CB 3.32Å; D385-H417 WeakPolarHBondContact OD1-CB 3.26Å; D385-H417 IonicContact OD1-CG 3.66Å; D385-H417 IonicContact OD1-ND1 3.57Å; D385-H417 PolarHBondContact OD1-ND1 3.18Å; D385-H417 VanDerWaalsContact OD1-ND1 3.16Å; D385-H417 IonicContact OD2-CE1 2.75Å; D385-H417 IonicContact OD2-CG 2.81Å; D385-H417 IonicContact OD2-ND1 2.85Å; D385-H417 PolarHBondContact OD2-ND1 2.81Å; I387-H417 HydrophobicContact CB-CB 4.09Å; I387-H417 HydrophobicContact CG1-CB 3.81Å
418G92.9Very high95.4Very high4 Ų456.5 Ų56.54%0.04130%0.296CS..SBendtrans90157.5-170.800000113.4Y327 G416Y327-G418 VanDerWaalsContact CE1-CA 3.5Å; G416-G418 PolarHBondContact O-N 3.13Å
419Y93Very high95.3Very high25 Ų2557 Ų5710%0.09830%0.298CS..  trans-93.2146.2-170.8-33.2-49.4000111.4H326 Y327 F380 F412 E415 A428H326-Y419 AromaticContact ND1-CE2 3.72Å; H326-Y419 AromaticContact ND1-CZ 3.82Å; H326-Y419 PolarHBondContact ND1-OH 2.75Å; Y327-Y419 AromaticContact CD1-CE1 3.74Å; Y327-Y419 HydrophobicContact CD1-CE1 3.74Å; Y327-Y419 AromaticContact CD1-CZ 3.68Å; Y327-Y419 WeakPolarHBondContact CD1-OH 3.46Å; Y327-Y419 AromaticContact CE1-CE1 3.95Å; Y327-Y419 HydrophobicContact CE1-CE1 3.95Å; Y327-Y419 HydrophobicContact CE1-CE2 4.12Å; Y327-Y419 AromaticContact CE1-CZ 3.66Å; F380-Y419 WeakPolarHBondContact CB-OH 3.45Å; F380-Y419 PolarHBondContact O-OH 3.4Å; F412-Y419 AromaticContact CD2-CD1 3.62Å; F412-Y419 HydrophobicContact CD2-CD1 3.62Å; F412-Y419 AromaticContact CD2-CE1 3.48Å; F412-Y419 HydrophobicContact CD2-CE1 3.48Å; F412-Y419 VanDerWaalsContact CD2-CE1 3.48Å; F412-Y419 HydrophobicContact CD2-CG 4.29Å; F412-Y419 HydrophobicContact CE2-CD1 4.02Å; F412-Y419 HydrophobicContact CE2-CD2 4.38Å; F412-Y419 AromaticContact CE2-CE1 3.71Å; F412-Y419 HydrophobicContact CE2-CE1 3.71Å; F412-Y419 HydrophobicContact CE2-CE2 4.09Å; F412-Y419 HydrophobicContact CE2-CG 4.37Å; F412-Y419 AromaticContact CE2-CZ 3.75Å; F412-Y419 HydrophobicContact CG-CD1 4.46Å; E415-Y419 WeakPolarHBondContact OE2-CA 3.36Å; Y419-A428 HydrophobicContact CD2-CB 3.81Å; Y419-A428 HydrophobicContact CE2-CB 3.46Å; Y419-A428 VanDerWaalsContact CE2-CB 3.46Å
420R92Very high95.2Very high184 Ų18455.5 Ų55.569%0.69429%0.289SS*.  trans-120-31.5178.3-60.8-64.7176.7-96.3-5.7112.8E415E415-R420 PolarHBondContact OE1-N 3.32Å; E415-R420 PolarHBondContact OE2-N 2.71Å
421T93.8Very high95.1Very high64 Ų6454.5 Ų54.539%0.39328%0.284SS..SBendtrans-76.4135.4-178.6-460000110.7E415 S423 N424 I425E415-T421 VanDerWaalsContact OE1-CB 3.23Å; E415-T421 WeakPolarHBondContact OE1-CB 3.32Å; E415-T421 PolarHBondContact OE1-N 2.97Å; E415-T421 PolarHBondContact OE1-OG1 3.31Å; T421-S423 VanDerWaalsContact C-N 3.3Å; T421-S423 WeakPolarHBondContact CG2-OG 3.19Å; T421-S423 PolarHBondContact O-N 3.05Å; T421-N424 PolarHBondContact O-N 2.81Å; T421-N424 VanDerWaalsContact O-N 3.1Å; T421-I425 WeakPolarHBondContact O-CG1 3.22Å; T421-I425 PolarHBondContact O-N 3.1Å
422D92.2Very high95.1Very high92 Ų9251.8 Ų51.849%0.49227%0.269SS..Hα-helixtrans-57.6-41.1-178.374.9-40.6000112.5N424 I425 R426D422-N424 VanDerWaalsContact C-N 3.34Å; D422-N424 PolarHBondContact O-N 3.41Å; D422-I425 PolarHBondContact O-N 3.07Å; D422-R426 WeakPolarHBondContact O-CG 3.2Å; D422-R426 PolarHBondContact O-N 2.99Å; D422-R426 IonicContact OD2-CZ 2.97Å; D422-R426 IonicContact OD2-NH1 2.89Å; D422-R426 PolarHBondContact OD2-NH1 2.88Å; D422-R426 IonicContact OD2-NH2 3.94Å
423S94.8Very high95Very high55 Ų5552.5 Ų52.539%0.38527%0.272SS..Hα-helixtrans-61.5-40.2176.563.20000112.6T421 T427T421-S423 VanDerWaalsContact C-N 3.3Å; T421-S423 WeakPolarHBondContact CG2-OG 3.19Å; T421-S423 PolarHBondContact O-N 3.05Å; S423-T427 WeakPolarHBondContact O-CB 3.47Å; S423-T427 PolarHBondContact O-N 2.85Å; S423-T427 PolarHBondContact O-OG1 2.7Å
424N95.7Very high95Very high30 Ų3045.3 Ų45.316%0.1624%0.238CC..Hα-helixtrans-73.6-39-179-66.9-16000110.8F412 E415 T421 D422 T427 A428F412-N424 HydrophobicContact CD1-CB 3.69Å; F412-N424 VanDerWaalsContact CD1-CG 3.48Å; F412-N424 WeakPolarHBondContact CD1-OD1 3.32Å; F412-N424 HydrophobicContact CE1-CB 3.97Å; F412-N424 HydrophobicContact CG-CB 4.08Å; E415-N424 VanDerWaalsContact CG-ND2 3.27Å; E415-N424 WeakPolarHBondContact CG-ND2 3.31Å; E415-N424 PolarHBondContact OE1-ND2 2.78Å; T421-N424 PolarHBondContact O-N 2.81Å; T421-N424 VanDerWaalsContact O-N 3.1Å; D422-N424 VanDerWaalsContact C-N 3.34Å; D422-N424 PolarHBondContact O-N 3.41Å; N424-T427 PolarHBondContact O-N 2.82Å; N424-A428 WeakPolarHBondContact O-CB 3.33Å; N424-A428 PolarHBondContact O-N 2.95Å
425I94.5Very high95Very high77 Ų7743 Ų4340%0.39522%0.215SC..Hα-helixtrans-60.4-47.3173.8-66.4166.6000110.5T421 D422 A428 L429T421-I425 WeakPolarHBondContact O-CG1 3.22Å; T421-I425 PolarHBondContact O-N 3.1Å; D422-I425 PolarHBondContact O-N 3.07Å; I425-A428 PolarHBondContact O-N 2.77Å; I425-L429 WeakPolarHBondContact O-CB 3.39Å; I425-L429 PolarHBondContact O-N 2.78Å
426R94.9Very high95Very high146 Ų14642.6 Ų42.655%0.55121%0.213SC*.Hα-helixtrans-62.1-50.3176.2-70.2-174.2-168.8110.33.1111.6D422 A428 L429 D430D422-R426 WeakPolarHBondContact O-CG 3.2Å; D422-R426 PolarHBondContact O-N 2.99Å; D422-R426 IonicContact OD2-CZ 2.97Å; D422-R426 IonicContact OD2-NH1 2.89Å; D422-R426 PolarHBondContact OD2-NH1 2.88Å; D422-R426 IonicContact OD2-NH2 3.94Å; R426-A428 VanDerWaalsContact C-N 3.26Å; R426-A428 PolarHBondContact O-N 3.07Å; R426-L429 PolarHBondContact O-N 2.87Å; R426-L429 VanDerWaalsContact O-N 3.1Å; R426-D430 WeakPolarHBondContact O-CB 3.44Å; R426-D430 PolarHBondContact O-N 3.12Å
427T95.7Very high95Very high57 Ų5741.5 Ų41.535%0.3520%0.202SC..Hα-helixtrans-57.5-40179.4-570000112.1V410 F412 S423 N424 G431 I453V410-T427 HydrophobicContact CG1-CG2 4.47Å; F412-T427 HydrophobicContact CE1-CG2 3.91Å; F412-T427 HydrophobicContact CZ-CG2 4.27Å; S423-T427 WeakPolarHBondContact O-CB 3.47Å; S423-T427 PolarHBondContact O-N 2.85Å; S423-T427 PolarHBondContact O-OG1 2.7Å; N424-T427 PolarHBondContact O-N 2.82Å; T427-G431 WeakPolarHBondContact O-CA 3.34Å; T427-G431 PolarHBondContact O-N 2.67Å; T427-I453 HydrophobicContact CG2-CD1 4.29Å
428A96.2Very high95.1Very high3 Ų342.9 Ų42.93%0.02521%0.208CC..Hα-helixtrans-65.5-47.417600000111.8F380 F412 Y419 N424 I425 R426 E432F380-A428 HydrophobicContact CD1-CB 4.1Å; F412-A428 HydrophobicContact CE2-CB 4.03Å; F412-A428 HydrophobicContact CZ-CB 3.86Å; Y419-A428 HydrophobicContact CD2-CB 3.81Å; Y419-A428 HydrophobicContact CE2-CB 3.46Å; Y419-A428 VanDerWaalsContact CE2-CB 3.46Å; N424-A428 WeakPolarHBondContact O-CB 3.33Å; N424-A428 PolarHBondContact O-N 2.95Å; I425-A428 PolarHBondContact O-N 2.77Å; R426-A428 VanDerWaalsContact C-N 3.26Å; R426-A428 PolarHBondContact O-N 3.07Å; A428-E432 VanDerWaalsContact O-CB 3.23Å; A428-E432 WeakPolarHBondContact O-CB 3.41Å; A428-E432 PolarHBondContact O-N 2.86Å
429L96.1Very high95.2Very high28 Ų2843.9 Ų43.915%0.14722%0.216CC..Hα-helixtrans-66.4-49-178.6-17862.2000112.2R238 Y241 Y242 I425 R426 G431 E432 Y433R238-L429 HydrophobicContact CB-CD1 4.31Å; R238-L429 HydrophobicContact CG-CD1 4.42Å; Y241-L429 HydrophobicContact CD1-CD1 4.01Å; Y241-L429 HydrophobicContact CD1-CD2 4.2Å; Y241-L429 HydrophobicContact CD1-CG 3.99Å; Y241-L429 HydrophobicContact CD2-CD2 3.63Å; Y241-L429 HydrophobicContact CD2-CG 4.21Å; Y241-L429 HydrophobicContact CE1-CG 4.19Å; Y241-L429 HydrophobicContact CE2-CD2 4.07Å; Y241-L429 HydrophobicContact CE2-CG 4.35Å; Y241-L429 HydrophobicContact CG-CD1 4.21Å; Y241-L429 HydrophobicContact CG-CD2 3.7Å; Y241-L429 HydrophobicContact CG-CG 4.02Å; Y242-L429 HydrophobicContact CE2-CD1 3.92Å; I425-L429 WeakPolarHBondContact O-CB 3.39Å; I425-L429 PolarHBondContact O-N 2.78Å; R426-L429 PolarHBondContact O-N 2.87Å; R426-L429 VanDerWaalsContact O-N 3.1Å; L429-G431 VanDerWaalsContact C-N 3.34Å; L429-E432 PolarHBondContact O-N 3.23Å; L429-Y433 WeakPolarHBondContact O-CB 2.78Å; L429-Y433 PolarHBondContact O-N 3.41Å
430D95.2Very high95.3Very high14 Ų1443.6 Ų43.68%0.07522%0.216CC..Hα-helixtrans-67.4-38.3179.1-61.9-39.7000110.8Y241 R426 N434 E451Y241-D430 VanDerWaalsContact CZ-OD1 3.31Å; Y241-D430 PolarHBondContact OH-OD1 3.2Å; R426-D430 WeakPolarHBondContact O-CB 3.44Å; R426-D430 PolarHBondContact O-N 3.12Å; D430-N434 VanDerWaalsContact O-CB 3.26Å; D430-N434 WeakPolarHBondContact O-CB 3.37Å; D430-N434 PolarHBondContact O-N 2.75Å; D430-N434 PolarHBondContact O-ND2 2.84Å; D430-E451 HydrophobicContact CB-CB 4.26Å; D430-E451 HydrophobicContact CB-CG 4.09Å
431G95.9Very high95.4Very high1 Ų142.1 Ų42.11%0.0122%0.222CC..Hα-helixtrans-62.8-45.517400000112.2T427 L429 N434 F435 Y455T427-G431 WeakPolarHBondContact O-CA 3.34Å; T427-G431 PolarHBondContact O-N 2.67Å; L429-G431 VanDerWaalsContact C-N 3.34Å; G431-N434 PolarHBondContact O-N 3.48Å; G431-F435 VanDerWaalsContact O-CB 3.28Å; G431-F435 WeakPolarHBondContact O-CB 3.16Å; G431-F435 PolarHBondContact O-N 2.97Å; G431-Y455 WeakPolarHBondContact CA-OH 3.21Å; G431-Y455 PolarHBondContact O-OH 2.87Å
432E97.5Very high95.2Very high11 Ų1141.6 Ų41.65%0.05122%0.216CC..Hα-helixtrans-59.7-49.1176.5-178.2-174.8177.500111.1Y242 S301 V324 H326 F380 A428 L429 F435 F436Y242-E432 WeakPolarHBondContact OH-CB 3.28Å; Y242-E432 WeakPolarHBondContact OH-CG 3.4Å; Y242-E432 PolarHBondContact OH-OE1 3.17Å; Y242-E432 PolarHBondContact OH-OE2 3.2Å; S301-E432 WeakPolarHBondContact CB-OE1 3.27Å; S301-E432 PolarHBondContact OG-OE1 3.47Å; V324-E432 HydrophobicContact CB-CG 3.97Å; V324-E432 HydrophobicContact CG1-CB 4.38Å; V324-E432 HydrophobicContact CG1-CG 3.88Å; V324-E432 HydrophobicContact CG2-CG 3.92Å; H326-E432 IonicContact CE1-OE2 3.56Å; H326-E432 IonicContact NE2-OE2 3.16Å; H326-E432 PolarHBondContact NE2-OE2 3.43Å; H326-E432 VanDerWaalsContact NE2-OE2 3.12Å; F380-E432 HydrophobicContact CE2-CB 4.25Å; F380-E432 HydrophobicContact CZ-CB 4.47Å; A428-E432 VanDerWaalsContact O-CB 3.23Å; A428-E432 WeakPolarHBondContact O-CB 3.41Å; A428-E432 PolarHBondContact O-N 2.86Å; L429-E432 PolarHBondContact O-N 3.23Å; E432-F435 PolarHBondContact O-N 2.78Å; E432-F436 HydrophobicContact CG-CD2 4.03Å; E432-F436 HydrophobicContact CG-CE2 3.57Å; E432-F436 HydrophobicContact CG-CZ 4.38Å; E432-F436 WeakPolarHBondContact O-CD2 3.31Å; E432-F436 PolarHBondContact O-N 3.3Å
433Y96.7Very high94.6Very high23 Ų2346.6 Ų46.69%0.0923%0.234CC..Hα-helixtrans-60.7-48.1177.3177.1-104.2000112.5Y241 Y242 R245 F247 L429 F435 F436 C437 T444 L447Y241-Y433 HydrophobicContact CE1-CD1 4.28Å; Y241-Y433 HydrophobicContact CE1-CD2 4.18Å; Y241-Y433 AromaticContact CE1-CG 3.83Å; Y241-Y433 HydrophobicContact CE1-CG 3.83Å; Y242-Y433 HydrophobicContact CD1-CD2 4.08Å; Y242-Y433 AromaticContact CE1-CD2 3.84Å; Y242-Y433 HydrophobicContact CE1-CD2 3.84Å; Y242-Y433 PolarHBondContact OH-N 3.16Å; R245-Y433 HydrophobicContact CB-CE2 3.84Å; R245-Y433 HydrophobicContact CG-CE2 4.39Å; F247-Y433 HydrophobicContact CD2-CE2 4.11Å; F247-Y433 HydrophobicContact CE2-CD2 4.36Å; F247-Y433 AromaticContact CE2-CE2 3.72Å; F247-Y433 HydrophobicContact CE2-CE2 3.72Å; L429-Y433 WeakPolarHBondContact O-CB 2.78Å; L429-Y433 PolarHBondContact O-N 3.41Å; Y433-F435 VanDerWaalsContact C-N 3.28Å; Y433-F435 PolarHBondContact O-N 2.79Å; Y433-F436 PolarHBondContact O-N 2.99Å; Y433-C437 PolarHBondContact O-N 2.86Å; Y433-C437 PolarHBondContact O-SG 2.78Å; Y433-T444 HydrophobicContact CE1-CG2 4.16Å; Y433-L447 HydrophobicContact CD1-CD1 3.73Å; Y433-L447 HydrophobicContact CD1-CD2 4.31Å; Y433-L447 HydrophobicContact CE1-CD1 3.85Å; Y433-L447 HydrophobicContact CE1-CD2 4.32Å; Y433-L447 HydrophobicContact CE1-CG 4.44Å
434N95.2Very high93.2Very high5 Ų546.7 Ų46.73%0.02723%0.232CC..Hα-helixtrans-56.7-43.9175.9-87-61.1000112.3D430 G431 C437 Q438 L447 E451 Y455D430-N434 VanDerWaalsContact O-CB 3.26Å; D430-N434 WeakPolarHBondContact O-CB 3.37Å; D430-N434 PolarHBondContact O-N 2.75Å; D430-N434 PolarHBondContact O-ND2 2.84Å; G431-N434 PolarHBondContact O-N 3.48Å; N434-C437 PolarHBondContact O-N 3.13Å; N434-Q438 WeakPolarHBondContact O-CG 3.49Å; N434-Q438 PolarHBondContact O-N 3.11Å; N434-L447 VanDerWaalsContact CG-CD1 3.41Å; N434-L447 WeakPolarHBondContact ND2-CD1 3.43Å; N434-L447 WeakPolarHBondContact OD1-CD1 3.46Å; N434-E451 PolarHBondContact ND2-O 2.75Å; N434-Y455 HydrophobicContact CB-CE2 4.12Å
435F96.7Very high91.2Very high0 Ų053.8 Ų53.80%026%0.264CS..Hα-helixtrans-61.5-46.7179.6179.7-100.6000111.6A322 V324 P376 V377 A378 M406 G431 E432 Y433 Q438 A439 Y455A322-F435 HydrophobicContact CB-CE1 4.41Å; V324-F435 HydrophobicContact CG2-CD1 3.57Å; V324-F435 HydrophobicContact CG2-CE1 4.11Å; V324-F435 HydrophobicContact CG2-CG 4.45Å; P376-F435 HydrophobicContact CB-CE1 4.19Å; P376-F435 HydrophobicContact CB-CE2 4.24Å; P376-F435 HydrophobicContact CB-CZ 3.49Å; P376-F435 VanDerWaalsContact CB-CZ 3.49Å; V377-F435 VanDerWaalsContact C-CZ 3.42Å; A378-F435 HydrophobicContact CB-CB 4.26Å; A378-F435 HydrophobicContact CB-CD1 3.7Å; A378-F435 HydrophobicContact CB-CD2 3.62Å; A378-F435 HydrophobicContact CB-CE1 3.87Å; A378-F435 HydrophobicContact CB-CE2 3.78Å; A378-F435 HydrophobicContact CB-CG 3.56Å; A378-F435 HydrophobicContact CB-CZ 3.9Å; M406-F435 HydrophobicContact CE-CD2 3.75Å; M406-F435 HydrophobicContact CE-CE2 3.45Å; M406-F435 VanDerWaalsContact CE-CE2 3.45Å; M406-F435 HydrophobicContact CE-CZ 4.12Å; M406-F435 HydrophobicContact CG-CE2 4.26Å; G431-F435 VanDerWaalsContact O-CB 3.28Å; G431-F435 WeakPolarHBondContact O-CB 3.16Å; G431-F435 PolarHBondContact O-N 2.97Å; E432-F435 PolarHBondContact O-N 2.78Å; Y433-F435 VanDerWaalsContact C-N 3.28Å; Y433-F435 PolarHBondContact O-N 2.79Å; F435-Q438 PolarHBondContact O-N 3.18Å; F435-A439 WeakPolarHBondContact O-CB 3.21Å; F435-A439 PolarHBondContact O-N 2.89Å; F435-Y455 HydrophobicContact CB-CE1 4.24Å; F435-Y455 HydrophobicContact CB-CE2 4.43Å; F435-Y455 AromaticContact CD2-CD1 3.93Å; F435-Y455 HydrophobicContact CD2-CD1 3.93Å; F435-Y455 AromaticContact CD2-CE1 3.8Å; F435-Y455 HydrophobicContact CD2-CE1 3.8Å; F435-Y455 HydrophobicContact CD2-CG 4.46Å; F435-Y455 HydrophobicContact CG-CE1 4.47Å
436F97.4Very high88.7Confident0 Ų055.9 Ų55.90%028%0.284CS..Hα-helixtrans-63.5-43.6176.2-71.4-45000112.4L220 Y242 F247 C299 A322 V324 E432 Y433 Q438 A439 L440L220-F436 HydrophobicContact CD1-CD2 4.37Å; L220-F436 HydrophobicContact CD1-CE2 3.53Å; L220-F436 HydrophobicContact CD1-CZ 3.74Å; Y242-F436 HydrophobicContact CE1-CD2 4.18Å; F247-F436 HydrophobicContact CZ-CB 4.45Å; C299-F436 HydrophobicContact CB-CD1 3.72Å; C299-F436 HydrophobicContact CB-CE1 3.56Å; C299-F436 HydrophobicContact CB-CE2 4.5Å; C299-F436 HydrophobicContact CB-CG 4.28Å; C299-F436 HydrophobicContact CB-CZ 3.98Å; C299-F436 VanDerWaalsContact SG-CD1 3.51Å; A322-F436 HydrophobicContact CB-CD1 3.84Å; A322-F436 HydrophobicContact CB-CE1 4.07Å; V324-F436 HydrophobicContact CB-CE1 4.44Å; V324-F436 HydrophobicContact CB-CE2 4.42Å; V324-F436 HydrophobicContact CB-CZ 3.86Å; V324-F436 HydrophobicContact CG2-CD1 4.35Å; V324-F436 HydrophobicContact CG2-CE1 3.68Å; V324-F436 HydrophobicContact CG2-CE2 3.97Å; V324-F436 HydrophobicContact CG2-CZ 3.46Å; V324-F436 VanDerWaalsContact CG2-CZ 3.46Å; E432-F436 HydrophobicContact CG-CD2 4.03Å; E432-F436 HydrophobicContact CG-CE2 3.57Å; E432-F436 HydrophobicContact CG-CZ 4.38Å; E432-F436 WeakPolarHBondContact O-CD2 3.31Å; E432-F436 PolarHBondContact O-N 3.3Å; Y433-F436 PolarHBondContact O-N 2.99Å; F436-Q438 VanDerWaalsContact C-N 3.3Å; F436-Q438 PolarHBondContact O-N 3.43Å; F436-A439 PolarHBondContact O-N 3.42Å; F436-L440 WeakPolarHBondContact O-CB 3.36Å; F436-L440 VanDerWaalsContact O-CG 3.3Å; F436-L440 WeakPolarHBondContact O-CG 3.17Å; F436-L440 PolarHBondContact O-N 2.89Å
437C95.9Very high86.4Confident2 Ų250.5 Ų50.51%0.01427%0.266CS..Hα-helixtrans-59.2-41.9176.6-72.80000112.2Y433 N434 L440 D441 I442 T444Y433-C437 PolarHBondContact O-N 2.86Å; Y433-C437 PolarHBondContact O-SG 2.78Å; N434-C437 PolarHBondContact O-N 3.13Å; C437-L440 PolarHBondContact O-N 3.06Å; C437-D441 PolarHBondContact O-N 3.3Å; C437-D441 VanDerWaalsContact O-N 3.11Å; C437-I442 HydrophobicContact CB-CB 4.19Å; C437-I442 PolarHBondContact O-N 2.69Å; C437-T444 HydrophobicContact CB-CG2 3.53Å
438Q94.9Very high83.5Confident80 Ų8052.5 Ų52.537%0.37428%0.278SS..Hα-helixtrans-68.1-43.4176.4-70.9179.61500112.5M406 N434 F435 F436 L440 D441M406-Q438 HydrophobicContact CE-CB 4.04Å; N434-Q438 WeakPolarHBondContact O-CG 3.49Å; N434-Q438 PolarHBondContact O-N 3.11Å; F435-Q438 PolarHBondContact O-N 3.18Å; F436-Q438 VanDerWaalsContact C-N 3.3Å; F436-Q438 PolarHBondContact O-N 3.43Å; Q438-L440 PolarHBondContact O-N 3.45Å; Q438-D441 PolarHBondContact O-N 2.61Å
439A95.7Very high80.6Confident25 Ų2561 Ų6121%0.20732%0.317CS..Hα-helixtrans-65.4-26179.200000113A322 P376 M406 F435 F436A322-A439 HydrophobicContact CB-CB 3.66Å; P376-A439 HydrophobicContact CB-CB 4.13Å; P376-A439 HydrophobicContact CG-CB 4.06Å; M406-A439 HydrophobicContact CE-CB 4.14Å; F435-A439 WeakPolarHBondContact O-CB 3.21Å; F435-A439 PolarHBondContact O-N 2.89Å; F436-A439 PolarHBondContact O-N 3.42Å
440L95.3Very high77.9Confident18 Ų1869.6 Ų69.69%0.09435%0.353CS..THydrogen-bonded Turntrans-100.16.1178.2-62.9-178.3000113.9P218 F247 M297 F436 C437 Q438 I442P218-L440 HydrophobicContact CB-CD1 4Å; F247-L440 HydrophobicContact CE1-CD1 4.15Å; F247-L440 HydrophobicContact CZ-CD1 4.27Å; M297-L440 HydrophobicContact CB-CD1 4.06Å; M297-L440 HydrophobicContact CB-CD2 4.16Å; M297-L440 HydrophobicContact CG-CD1 4.49Å; M297-L440 HydrophobicContact CG-CD2 4.32Å; F436-L440 WeakPolarHBondContact O-CB 3.36Å; F436-L440 VanDerWaalsContact O-CG 3.3Å; F436-L440 WeakPolarHBondContact O-CG 3.17Å; F436-L440 PolarHBondContact O-N 2.89Å; C437-L440 PolarHBondContact O-N 3.06Å; Q438-L440 PolarHBondContact O-N 3.45Å; L440-I442 HydrophobicContact CB-CD1 3.83Å; L440-I442 HydrophobicContact CB-CG1 3.86Å; L440-I442 HydrophobicContact CD1-CD1 3.83Å; L440-I442 PolarHBondContact O-N 2.9Å; L440-I442 VanDerWaalsContact O-N 3.16Å
441D92.7Very high75.4Confident153 Ų15371.3 Ų71.382%0.81836%0.361SS*.THydrogen-bonded Turntrans53.630.4-174.6-67.8-47000114.5C437 Q438C437-D441 PolarHBondContact O-N 3.3Å; C437-D441 VanDerWaalsContact O-N 3.11Å; Q438-D441 PolarHBondContact O-N 2.61Å
442I90.7Very high72.7Confident53 Ų5375.1 Ų75.127%0.27239%0.387SS..PPolyproline II helixtrans-82.7118175.1-60.6171.8000108.8P218 F247 M297 C437 L440 T444P218-I442 HydrophobicContact CB-CD1 4.49Å; P218-I442 HydrophobicContact CG-CD1 4.2Å; F247-I442 HydrophobicContact CE2-CD1 4.31Å; F247-I442 HydrophobicContact CZ-CD1 3.96Å; M297-I442 HydrophobicContact SD-CD1 4.44Å; C437-I442 HydrophobicContact CB-CB 4.19Å; C437-I442 PolarHBondContact O-N 2.69Å; L440-I442 HydrophobicContact CB-CD1 3.83Å; L440-I442 HydrophobicContact CB-CG1 3.86Å; L440-I442 HydrophobicContact CD1-CD1 3.83Å; L440-I442 PolarHBondContact O-N 2.9Å; L440-I442 VanDerWaalsContact O-N 3.16Å; I442-T444 PolarHBondContact O-N 3.17Å
443K79.1Confident70Confident198 Ų19876.9 Ų76.986%0.86140%0.396SS*.PPolyproline II helixtrans-65.6116.2174-68.2-175.7-179.8179.80110.2
444T64.9Low67.2Low56 Ų5679.3 Ų79.334%0.34443%0.429SS..PPolyproline II helixtrans-81.3118.2169.551.80000109.1Y433 C437 I442 C446 L447Y433-T444 HydrophobicContact CE1-CG2 4.16Å; C437-T444 HydrophobicContact CB-CG2 3.53Å; I442-T444 PolarHBondContact O-N 3.17Å; T444-C446 PolarHBondContact O-N 2.81Å; T444-L447 HydrophobicContact CG2-CD1 4.21Å
445E54.5Low64.8Low180 Ų18080.4 Ų80.484%0.84143%0.433SS*.  trans-7297.5163.9-77.1-169.5171.700107.7L447E445-L447 PolarHBondContact O-N 2.66Å
446C42.5Very low62Low120 Ų12083.4 Ų83.481%0.81146%0.464SS*.  trans39.376.4166.4-67.50000115.1T444 T448T444-C446 PolarHBondContact O-N 2.81Å; C446-T448 PolarHBondContact O-N 2.85Å
447L45.2Very low58.9Low34 Ų3488.8 Ų88.818%0.17850%0.497CS..  trans-57.3130.8146.5-71.5159000106.5Y433 N434 T444 E445 H449 E451Y433-L447 HydrophobicContact CD1-CD1 3.73Å; Y433-L447 HydrophobicContact CD1-CD2 4.31Å; Y433-L447 HydrophobicContact CE1-CD1 3.85Å; Y433-L447 HydrophobicContact CE1-CD2 4.32Å; Y433-L447 HydrophobicContact CE1-CG 4.44Å; N434-L447 VanDerWaalsContact CG-CD1 3.41Å; N434-L447 WeakPolarHBondContact ND2-CD1 3.43Å; N434-L447 WeakPolarHBondContact OD1-CD1 3.46Å; T444-L447 HydrophobicContact CG2-CD1 4.21Å; E445-L447 PolarHBondContact O-N 2.66Å; L447-H449 PolarHBondContact O-N 2.98Å; L447-E451 WeakPolarHBondContact CA-OE2 3.49Å; L447-E451 HydrophobicContact CB-CB 3.97Å; L447-E451 VanDerWaalsContact CB-OE2 3.32Å; L447-E451 WeakPolarHBondContact CB-OE2 3.38Å
448T35.5Very low55.7Low98 Ų9893.4 Ų93.460%0.60153%0.529SS*.  trans-58.5145-171.5570000109.6C446 K450 E451C446-T448 PolarHBondContact O-N 2.85Å; T448-K450 PolarHBondContact O-N 3.04Å; T448-E451 PolarHBondContact N-OE2 3.48Å; T448-E451 WeakPolarHBondContact O-CB 3.06Å; T448-E451 PolarHBondContact O-N 2.82Å; T448-E451 PolarHBondContact OG1-OE2 3.3Å
449H34.4Very low52.3Low182 Ų18294.9 Ų94.984%0.84355%0.548SS*.THydrogen-bonded Turntrans-52-3.6-163.1-132.7-62.3000117.9L447L447-H449 PolarHBondContact O-N 2.98Å
450K39.8Very low49.2Very low209 Ų209103.5 Ų103.591%0.90960%0.598SS**THydrogen-bonded Turntrans-89.1-7.4171.1-75.7-172.6175-1780114.3T448T448-K450 PolarHBondContact O-N 3.04Å
451E43Very low46.9Very low49 Ų49107.8 Ų107.823%0.22962%0.623CS.*SBendtrans-103.8-11.8-169.5-68.6160.5168.200113.8D430 N434 L447 T448 I453D430-E451 HydrophobicContact CB-CB 4.26Å; D430-E451 HydrophobicContact CB-CG 4.09Å; N434-E451 PolarHBondContact ND2-O 2.75Å; L447-E451 WeakPolarHBondContact CA-OE2 3.49Å; L447-E451 HydrophobicContact CB-CB 3.97Å; L447-E451 VanDerWaalsContact CB-OE2 3.32Å; L447-E451 WeakPolarHBondContact CB-OE2 3.38Å; T448-E451 PolarHBondContact N-OE2 3.48Å; T448-E451 WeakPolarHBondContact O-CB 3.06Å; T448-E451 PolarHBondContact O-N 2.82Å; T448-E451 PolarHBondContact OG1-OE2 3.3Å; E451-I453 PolarHBondContact O-N 3.35Å
452S38.6Very low44.4Very low81 Ų81105.4 Ų105.457%0.56661%0.613SS**  trans-79.288.3179.565.20000111.4G454S452-G454 PolarHBondContact O-N 3.49Å
453I41.8Very low41.9Very low48 Ų48108.3 Ų108.325%0.24663%0.632CS.*  trans-65.9117.9160.9-58.2179.6000106.4V410 T427 E451 Y455V410-I453 HydrophobicContact CG2-CD1 3.78Å; T427-I453 HydrophobicContact CG2-CD1 4.29Å; E451-I453 PolarHBondContact O-N 3.35Å; I453-Y455 HydrophobicContact CB-CE2 3.98Å; I453-Y455 HydrophobicContact CG2-CE1 4.17Å; I453-Y455 HydrophobicContact CG2-CE2 4.35Å; I453-Y455 WeakPolarHBondContact O-CD2 3.4Å; I453-Y455 WeakPolarHBondContact O-CE2 3.12Å; I453-Y455 PolarHBondContact O-N 3.33Å
454G38Very low39.7Very low75 Ų75103 Ų10377%0.77362%0.618SS**  trans-70.7109.5175.700000109.8S452S452-G454 PolarHBondContact O-N 3.49Å
455Y44.5Very low38.1Very low27 Ų27105.9 Ų105.911%0.10664%0.635CS.*  trans-87.5114.7176.4-61.4-83.6000109.1S408 G431 N434 F435 I453 T457S408-Y455 WeakPolarHBondContact OG-CD1 3.36Å; S408-Y455 WeakPolarHBondContact OG-CE1 2.98Å; G431-Y455 WeakPolarHBondContact CA-OH 3.21Å; G431-Y455 PolarHBondContact O-OH 2.87Å; N434-Y455 HydrophobicContact CB-CE2 4.12Å; F435-Y455 HydrophobicContact CB-CE1 4.24Å; F435-Y455 HydrophobicContact CB-CE2 4.43Å; F435-Y455 AromaticContact CD2-CD1 3.93Å; F435-Y455 HydrophobicContact CD2-CD1 3.93Å; F435-Y455 AromaticContact CD2-CE1 3.8Å; F435-Y455 HydrophobicContact CD2-CE1 3.8Å; F435-Y455 HydrophobicContact CD2-CG 4.46Å; F435-Y455 HydrophobicContact CG-CE1 4.47Å; I453-Y455 HydrophobicContact CB-CE2 3.98Å; I453-Y455 HydrophobicContact CG2-CE1 4.17Å; I453-Y455 HydrophobicContact CG2-CE2 4.35Å; I453-Y455 WeakPolarHBondContact O-CD2 3.4Å; I453-Y455 WeakPolarHBondContact O-CE2 3.12Å; I453-Y455 PolarHBondContact O-N 3.33Å; Y455-T457 PolarHBondContact O-N 2.9Å
456G38.1Very low37Very low64 Ų64101 Ų10166%0.6662%0.622SS**  trans-79.5115.1-177.800000112
457T31Very low36.6Very low113 Ų11399.6 Ų99.669%0.69361%0.608SS**  trans-79.6110.9154.9540000107.7Y455 S459Y455-T457 PolarHBondContact O-N 2.9Å; T457-S459 PolarHBondContact O-N 3.22Å
458S29.7Very low36Very low98 Ų98104.7 Ų104.769%0.68564%0.641SS**  trans-68.7100.4167.6165.30000108.4V460S458-V460 PolarHBondContact O-N 3.5Å
459S22.7Very low36Very low111 Ų111105.3 Ų105.378%0.77665%0.645SS**  trans-74.199.1165.258.10000109.3T457T457-S459 PolarHBondContact O-N 3.22Å
460V30.4Very low36.1Very low206 Ų20698.3 Ų98.3100%1.24863%0.627SS**  trans-145.20146.2-170.80000108.7S458S458-V460 PolarHBondContact O-N 3.5Å

Retrieved 460 of 460 residues in 946.6 ms (Link to these results)

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