A0A087XGR0_POEFO Loading...

Kinase

AlphaFold DB , UniProt , Accession A0A087XGR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 459 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
1M48.1Very low54.7Low87 Ų8765.4 Ų65.443%0.42941%0.407SS..  0135.10-170.6175.3-77.400107.5E6 Y16 P92M1-E6 HydrophobicContact CG-CB 4.47Å; M1-E6 HydrophobicContact SD-CB 3.97Å; M1-E6 HydrophobicContact SD-CG 3.81Å; M1-Y16 WeakPolarHBondContact CE-OH 3.16Å; M1-Y16 PolarHBondContact SD-OH 3.42Å; M1-P92 HydrophobicContact CE-CB 4.04Å; M1-P92 HydrophobicContact CE-CG 4.1Å
2S44.4Very low54.6Low71 Ų7162.1 Ų62.150%0.49739%0.385SS..  trans-76126.9173.4176.40000108.6A4 L5 E6S2-A4 PolarHBondContact O-N 3.37Å; S2-A4 PolarHBondContact OG-N 3.09Å; S2-L5 PolarHBondContact O-N 2.92Å; S2-E6 PolarHBondContact O-N 2.87Å
3P48.1Very low54.2Low102 Ų10262.3 Ų62.366%0.66241%0.407SS*.Hα-helixtrans-53-27.2176.7-27.635000113.5A7P3-A7 WeakPolarHBondContact O-CB 3.31Å; P3-A7 PolarHBondContact O-N 2.86Å
4A50.2Low53.9Low69 Ų6961.8 Ų61.857%0.5740%0.402SS*.Hα-helixtrans-69.4-35.2177.900000113.5S2 L8S2-A4 PolarHBondContact O-N 3.37Å; S2-A4 PolarHBondContact OG-N 3.09Å; A4-L8 WeakPolarHBondContact O-CB 3.39Å; A4-L8 PolarHBondContact O-N 2.81Å
5L56.8Low53.1Low17 Ų1765.9 Ų65.99%0.08943%0.429CS..Hα-helixtrans-75-36.6177.8-174.563.8000110.5S2 L8 M9 V74 P92 L208S2-L5 PolarHBondContact O-N 2.92Å; L5-L8 HydrophobicContact CD1-CD2 4.37Å; L5-L8 PolarHBondContact O-N 2.72Å; L5-M9 HydrophobicContact CD1-SD 4.46Å; L5-M9 HydrophobicContact CG-SD 4.08Å; L5-M9 WeakPolarHBondContact O-CB 3.26Å; L5-M9 WeakPolarHBondContact O-CG 3.37Å; L5-M9 PolarHBondContact O-N 2.83Å; L5-V74 HydrophobicContact CD1-CG1 4.39Å; L5-V74 HydrophobicContact CD2-CG1 4.39Å; L5-P92 HydrophobicContact CD2-CB 4.36Å; L5-L208 HydrophobicContact CD1-CD1 3.58Å
6E60.6Low52.7Low66 Ų6669.6 Ų69.631%0.30843%0.433SS..Hα-helixtrans-66.2-42.5176.4-159166.8-161.800111.5M1 S2 M9 Q10 Y16M1-E6 HydrophobicContact CG-CB 4.47Å; M1-E6 HydrophobicContact SD-CB 3.97Å; M1-E6 HydrophobicContact SD-CG 3.81Å; S2-E6 PolarHBondContact O-N 2.87Å; E6-M9 PolarHBondContact O-N 2.94Å; E6-Q10 VanDerWaalsContact O-CG 3.27Å; E6-Q10 WeakPolarHBondContact O-CG 3.5Å; E6-Q10 PolarHBondContact O-N 3.21Å; E6-Y16 HydrophobicContact CG-CE2 4.21Å
7A59.1Low52.6Low53 Ų5369.2 Ų69.244%0.43843%0.433SS..Hα-helixtrans-65-38.8172.900000113P3 Q10 A11P3-A7 WeakPolarHBondContact O-CB 3.31Å; P3-A7 PolarHBondContact O-N 2.86Å; A7-Q10 PolarHBondContact O-N 3.44Å; A7-A11 VanDerWaalsContact O-CB 3.24Å; A7-A11 WeakPolarHBondContact O-CB 3.46Å; A7-A11 PolarHBondContact O-N 3.49Å
8L59.3Low52.9Low31 Ų3171.1 Ų71.116%0.16246%0.456CS..Hα-helixtrans-61.6-44.2175.2-17085.4000111.4A4 L5 A11 D12 T43 K71 L208A4-L8 WeakPolarHBondContact O-CB 3.39Å; A4-L8 PolarHBondContact O-N 2.81Å; L5-L8 HydrophobicContact CD1-CD2 4.37Å; L5-L8 PolarHBondContact O-N 2.72Å; L8-A11 PolarHBondContact O-N 3.47Å; L8-D12 PolarHBondContact O-N 2.86Å; L8-D12 VanDerWaalsContact O-N 3.16Å; L8-T43 HydrophobicContact CD2-CG2 4.36Å; L8-K71 HydrophobicContact CD1-CB 4.4Å; L8-K71 HydrophobicContact CD1-CD 3.69Å; L8-K71 HydrophobicContact CD1-CG 4.04Å; L8-K71 HydrophobicContact CD2-CB 3.91Å; L8-K71 HydrophobicContact CD2-CD 4.15Å; L8-K71 HydrophobicContact CD2-CG 4.4Å; L8-L208 HydrophobicContact CD2-CD1 4.08Å
9M60.3Low53.6Low18 Ų1875.8 Ų75.89%0.08947%0.469CS..Hα-helixtrans-71.5-30.6-178.9-67.6174.773.700112.6L5 E6 T14 V21 F39 P92L5-M9 HydrophobicContact CD1-SD 4.46Å; L5-M9 HydrophobicContact CG-SD 4.08Å; L5-M9 WeakPolarHBondContact O-CB 3.26Å; L5-M9 WeakPolarHBondContact O-CG 3.37Å; L5-M9 PolarHBondContact O-N 2.83Å; E6-M9 PolarHBondContact O-N 2.94Å; M9-T14 PolarHBondContact O-OG1 3.5Å; M9-V21 HydrophobicContact CE-CG2 3.79Å; M9-F39 HydrophobicContact CE-CZ 4.23Å; M9-F39 HydrophobicContact CG-CE1 4.13Å; M9-F39 HydrophobicContact CG-CZ 4.01Å; M9-F39 HydrophobicContact SD-CZ 4.31Å; M9-P92 HydrophobicContact CE-CG 4.31Å; M9-P92 HydrophobicContact SD-CG 4.28Å
10Q59.7Low54.9Low128 Ų12873.4 Ų73.460%0.59846%0.459SS*.Hα-helixtrans-74.9-34.9171.8-70.5172.716.700112.8E6 A7 G13E6-Q10 VanDerWaalsContact O-CG 3.27Å; E6-Q10 WeakPolarHBondContact O-CG 3.5Å; E6-Q10 PolarHBondContact O-N 3.21Å; A7-Q10 PolarHBondContact O-N 3.44Å; Q10-G13 PolarHBondContact O-N 2.91Å
11A54.7Low56.4Low77 Ų7770.8 Ų70.864%0.63644%0.443SS*.Hα-helixtrans-72.3-31.9-179.800000113.4A7 L8 G13A7-A11 VanDerWaalsContact O-CB 3.24Å; A7-A11 WeakPolarHBondContact O-CB 3.46Å; A7-A11 PolarHBondContact O-N 3.49Å; L8-A11 PolarHBondContact O-N 3.47Å; A11-G13 PolarHBondContact O-N 3.16Å
12D53.9Low58.2Low26 Ų2672 Ų7214%0.13945%0.449CS..THydrogen-bonded Turntrans-81.412.4177.5-80.2-20.6000113L8 T14 T43L8-D12 PolarHBondContact O-N 2.86Å; L8-D12 VanDerWaalsContact O-N 3.16Å; D12-T14 VanDerWaalsContact C-N 3.27Å; D12-T14 PolarHBondContact O-N 3.03Å; D12-T43 PolarHBondContact OD2-OG1 3.22Å; D12-T43 VanDerWaalsContact OD2-OG1 3.14Å
13G49.3Very low60.3Low65 Ų6569.2 Ų69.267%0.6743%0.428SS*.THydrogen-bonded Turntrans70.910.1168.500000116.3Q10 A11 P15Q10-G13 PolarHBondContact O-N 2.91Å; A11-G13 PolarHBondContact O-N 3.16Å; G13-P15 WeakPolarHBondContact O-CD 3.5Å
14T49.8Very low62Low55 Ų5568.1 Ų68.134%0.33742%0.415SS..  trans-86.1117.9179.241.50000110.5M9 D12 Y16M9-T14 PolarHBondContact O-OG1 3.5Å; D12-T14 VanDerWaalsContact C-N 3.27Å; D12-T14 PolarHBondContact O-N 3.03Å; T14-Y16 PolarHBondContact O-N 3.4Å
15P42.2Very low63.6Low124 Ų12466.8 Ų66.881%0.80540%0.4SS*.  trans-65132-178.522.9-30.1000110.7G13 S17G13-P15 WeakPolarHBondContact O-CD 3.5Å; P15-S17 PolarHBondContact O-N 2.72Å; P15-S17 VanDerWaalsContact O-N 3.15Å
16Y46.2Very low65Low125 Ų12567 Ų6749%0.4940%0.4SS..  trans-60.5115.7180-138.5-90.7000110.2M1 E6 T14M1-Y16 WeakPolarHBondContact CE-OH 3.16Å; M1-Y16 PolarHBondContact SD-OH 3.42Å; E6-Y16 HydrophobicContact CG-CE2 4.21Å; T14-Y16 PolarHBondContact O-N 3.4Å
17S50.8Low66Low62 Ų6265.3 Ų65.343%0.43439%0.394SS..  trans-126.7146.5160-168.40000107.3P15 K19 G20P15-S17 PolarHBondContact O-N 2.72Å; P15-S17 VanDerWaalsContact O-N 3.15Å; S17-K19 PolarHBondContact O-N 3.2Å; S17-K19 WeakPolarHBondContact OG-CD 3.44Å; S17-K19 VanDerWaalsContact OG-CG 3.26Å; S17-K19 WeakPolarHBondContact OG-CG 3.43Å; S17-G20 PolarHBondContact O-N 3.17Å
18A57.9Low67.1Low103 Ų10364.3 Ų64.385%0.85138%0.381SS*.THydrogen-bonded Turntrans-56.7-2166.900000113.3
19K66.5Low68.3Low162 Ų16263.8 Ų63.870%0.70438%0.377SS*.THydrogen-bonded Turntrans-833-178.1-65-178.8175-168.10116S17 I89S17-K19 PolarHBondContact O-N 3.2Å; S17-K19 WeakPolarHBondContact OG-CD 3.44Å; S17-K19 VanDerWaalsContact OG-CG 3.26Å; S17-K19 WeakPolarHBondContact OG-CG 3.43Å; K19-I89 WeakPolarHBondContact O-CG2 3.3Å
20G80.4Confident69.3Low27 Ų2763.1 Ų63.128%0.27837%0.374SS..  trans71.2-179.5178.400000114.4S17 A90S17-G20 PolarHBondContact O-N 3.17Å; G20-A90 CarbonylContact C-O 3.48Å; G20-A90 WeakPolarHBondContact CA-O 3.48Å
21V85.9Confident70.3Confident19 Ų1957.3 Ų57.312%0.11535%0.348CS..EExtended strand (participates in β ladder)trans-110.4120.3-178.2178.70000109.8M9 L23 F39 I89 A90M9-V21 HydrophobicContact CE-CG2 3.79Å; V21-L23 PolarHBondContact O-N 2.96Å; V21-F39 HydrophobicContact CB-CD2 4.35Å; V21-F39 HydrophobicContact CB-CE2 3.81Å; V21-F39 HydrophobicContact CB-CZ 4.37Å; V21-F39 HydrophobicContact CG1-CD2 4.12Å; V21-F39 HydrophobicContact CG1-CE2 4.01Å; V21-F39 HydrophobicContact CG2-CE2 4Å; V21-F39 HydrophobicContact CG2-CZ 4.07Å; V21-I89 WeakPolarHBondContact O-CA 3.24Å; V21-A90 HydrophobicContact CB-CB 4.46Å; V21-A90 PolarHBondContact N-O 2.76Å; V21-A90 PolarHBondContact O-N 3.11Å
22M85.8Confident71.2Confident112 Ų11254.5 Ų54.555%0.55233%0.327SS*.EExtended strand (participates in β ladder)trans-68.3128174.4-172.3170.769.100110.7I89M22-I89 HydrophobicContact CB-CD1 3.85Å; M22-I89 HydrophobicContact CG-CD1 3.95Å
23L87.9Confident72Confident13 Ų1358.9 Ų58.97%0.06835%0.347CS..EExtended strand (participates in β ladder)trans-92.9140.3-179.9-60.4-177.9000110.8V21 L37 F39 V76 L88 A90V21-L23 PolarHBondContact O-N 2.96Å; L23-L37 HydrophobicContact CB-CB 4.19Å; L23-L37 HydrophobicContact CB-CD1 4.16Å; L23-L37 HydrophobicContact CD1-CB 4.37Å; L23-L37 HydrophobicContact CD1-CD1 3.58Å; L23-F39 HydrophobicContact CD2-CB 4.15Å; L23-F39 HydrophobicContact CD2-CD2 3.71Å; L23-F39 HydrophobicContact CD2-CG 4.42Å; L23-V76 HydrophobicContact CD1-CB 4.48Å; L23-V76 HydrophobicContact CD1-CG1 3.75Å; L23-V76 HydrophobicContact CD1-CG2 3.82Å; L23-L88 HydrophobicContact CB-CB 3.93Å; L23-L88 WeakPolarHBondContact CB-O 3Å; L23-L88 HydrophobicContact CD1-CB 4.13Å; L23-L88 HydrophobicContact CG-CB 4.36Å; L23-L88 PolarHBondContact N-O 2.76Å; L23-A90 HydrophobicContact CD1-CB 4.19Å; L23-A90 HydrophobicContact CD2-CB 3.86Å; L23-A90 HydrophobicContact CG-CB 4.07Å
24E84Confident73.1Confident79 Ų7958.3 Ų58.337%0.36933%0.332SS..EExtended strand (participates in β ladder)trans-115.4155.7177.9-66.4175.4171.300111.5F26 L37 R38E24-F26 PolarHBondContact O-N 3.26Å; E24-L37 CarbonylContact O-C 3.54Å; E24-L37 VanDerWaalsContact O-CA 3.23Å; E24-L37 WeakPolarHBondContact O-CA 3.47Å; E24-R38 HydrophobicContact CB-CB 4.31Å; E24-R38 PolarHBondContact N-O 3.06Å; E24-R38 PolarHBondContact O-N 3Å; E24-R38 IonicContact OE1-NH2 3.67Å; E24-R38 IonicContact OE2-CZ 2.58Å; E24-R38 IonicContact OE2-NE 2.69Å; E24-R38 PolarHBondContact OE2-NE 2.77Å; E24-R38 IonicContact OE2-NH2 2.66Å; E24-R38 PolarHBondContact OE2-NH2 2.78Å
25P83.9Confident74.4Confident40 Ų4056 Ų5626%0.2632%0.318SS..EExtended strand (participates in β ladder)trans-62.2132.1174.1-14.325.8000111.7V27 H187P25-V27 PolarHBondContact O-N 3.29Å; P25-H187 WeakPolarHBondContact CG-NE2 3.27Å
26F85.6Confident76.6Confident21 Ų2151 Ų519%0.09229%0.286CS..  trans-77.5115.5174.1-176.9-117.6000111.2E24 H28 Q29 V36 I44 S183 N211 T213E24-F26 PolarHBondContact O-N 3.26Å; F26-H28 HydrophobicContact CE1-CB 4.07Å; F26-H28 HydrophobicContact CE2-CB 4.34Å; F26-H28 HydrophobicContact CZ-CB 3.79Å; F26-Q29 HydrophobicContact CD1-CB 3.96Å; F26-Q29 HydrophobicContact CE1-CB 4.48Å; F26-V36 HydrophobicContact CB-CB 3.98Å; F26-V36 HydrophobicContact CB-CG1 3.77Å; F26-V36 VanDerWaalsContact CB-O 3.23Å; F26-V36 WeakPolarHBondContact CB-O 3.22Å; F26-V36 HydrophobicContact CD1-CB 4.11Å; F26-V36 HydrophobicContact CD1-CG1 3.77Å; F26-V36 HydrophobicContact CG-CB 4.42Å; F26-V36 HydrophobicContact CG-CG1 3.91Å; F26-V36 PolarHBondContact N-O 3.4Å; F26-V36 VanDerWaalsContact N-O 3.08Å; F26-I44 HydrophobicContact CD2-CG2 3.84Å; F26-I44 HydrophobicContact CE2-CG2 4.03Å; F26-I44 HydrophobicContact CG-CG2 4.22Å; F26-S183 PolarHBondContact O-OG 3.03Å; F26-N211 WeakPolarHBondContact CE2-OD1 3.48Å; F26-T213 VanDerWaalsContact CE2-OG1 3.31Å; F26-T213 WeakPolarHBondContact CE2-OG1 3.48Å; F26-T213 HydrophobicContact CZ-CG2 3.93Å; F26-T213 VanDerWaalsContact CZ-OG1 3.3Å; F26-T213 WeakPolarHBondContact CZ-OG1 3.44Å
27V81.9Confident78.7Confident31 Ų3145.1 Ų45.119%0.18826%0.263CS..THydrogen-bonded Turntrans-83.2-19.4-166.4-49.10000114.4P25 I177 H179P25-V27 PolarHBondContact O-N 3.29Å; V27-I177 HydrophobicContact CB-CG2 4.48Å; V27-I177 HydrophobicContact CG2-CG2 4.03Å; V27-H179 VanDerWaalsContact CG1-CE1 3.49Å; V27-H179 WeakPolarHBondContact CG1-CE1 3.38Å; V27-H179 WeakPolarHBondContact CG1-ND1 3.42Å
28H83.3Confident80.5Confident33 Ų3346 Ų4615%0.15326%0.256CS..THydrogen-bonded Turntrans-97.815.5-177.5-53-60.8000113.6F26 V30 T213 P219 Q263F26-H28 HydrophobicContact CE1-CB 4.07Å; F26-H28 HydrophobicContact CE2-CB 4.34Å; F26-H28 HydrophobicContact CZ-CB 3.79Å; H28-V30 PolarHBondContact O-N 3.04Å; H28-T213 HydrophobicContact CB-CG2 3.99Å; H28-P219 HydrophobicContact CB-CG 4.38Å; H28-P219 VanDerWaalsContact CE1-CG 3.42Å; H28-P219 WeakPolarHBondContact CE1-CG 3.32Å; H28-P219 WeakPolarHBondContact ND1-CG 3.35Å; H28-Q263 PolarHBondContact ND1-NE2 2.95Å
29Q83.7Confident82.1Confident19 Ų1941.2 Ų41.29%0.08922%0.217CC..  trans-70.4114.3171.6-176.1171.9-4.400109.9F26 G31 S34 N180F26-Q29 HydrophobicContact CD1-CB 3.96Å; F26-Q29 HydrophobicContact CE1-CB 4.48Å; Q29-G31 WeakPolarHBondContact CG-O 3.42Å; Q29-G31 PolarHBondContact NE2-O 3.44Å; Q29-S34 PolarHBondContact NE2-O 2.74Å; Q29-S34 PolarHBondContact OE1-O 2.81Å; Q29-N180 PolarHBondContact O-ND2 2.83Å
30V82.3Confident83.1Confident4 Ų434.3 Ų34.32%0.02419%0.191CC..  trans-97.9-21.9179.7-600000113.8H28 V221 D223 G261 Q263H28-V30 PolarHBondContact O-N 3.04Å; V30-V221 HydrophobicContact CG1-CB 3.85Å; V30-V221 HydrophobicContact CG1-CG1 4.08Å; V30-V221 HydrophobicContact CG2-CB 4.27Å; V30-V221 HydrophobicContact CG2-CG1 3.66Å; V30-D223 HydrophobicContact CG2-CB 3.71Å; V30-G261 VanDerWaalsContact O-CA 3.27Å; V30-G261 WeakPolarHBondContact O-CA 3.43Å; V30-Q263 HydrophobicContact CG1-CB 3.42Å; V30-Q263 VanDerWaalsContact CG1-CB 3.42Å
31G79.6Confident83.4Confident6 Ų639.2 Ų39.26%0.06221%0.207CC..SBendtrans-140.9-175.4-175.200000113.1Q29Q29-G31 WeakPolarHBondContact CG-O 3.42Å; Q29-G31 PolarHBondContact NE2-O 3.44Å
32G75Confident83.8Confident19 Ų1941.5 Ų41.520%0.19622%0.216CC..  trans83.6175.3179.100000115
33H69.2Low84.1Confident118 Ų11836.2 Ų36.255%0.54619%0.19SC..SBendtrans-119.9-21.7180-74-121.1000112.2K277H33-K277 PolarHBondContact CE1-NZ 3.33Å; H33-K277 PolarHBondContact NE2-NZ 3.01Å
34S73Confident84.5Confident52 Ų5236.7 Ų36.736%0.36419%0.193SC..SBendtrans-80.1135.2177.4-56.30000110.1Q29 V36Q29-S34 PolarHBondContact NE2-O 2.74Å; Q29-S34 PolarHBondContact OE1-O 2.81Å; S34-V36 PolarHBondContact O-N 3.05Å
35C77.6Confident84.9Confident6 Ų633 Ų334%0.04118%0.175CC..PPolyproline II helixtrans-62.1123.4169.6-179.40000109.5L37 P47 H187 Q190C35-L37 VanDerWaalsContact SG-CD2 3.5Å; C35-P47 WeakPolarHBondContact O-CD 3.49Å; C35-H187 PolarHBondContact SG-ND1 2.99Å; C35-Q190 HydrophobicContact CB-CB 3.97Å; C35-Q190 HydrophobicContact CB-CG 3.84Å; C35-Q190 VanDerWaalsContact CB-OE1 3.24Å
36V88.3Confident85.3Confident20 Ų2031.9 Ų31.912%0.12117%0.166CC..PPolyproline II helixtrans-102.8133.2168.2-176.60000107.9F26 S34 I44F26-V36 HydrophobicContact CB-CB 3.98Å; F26-V36 HydrophobicContact CB-CG1 3.77Å; F26-V36 VanDerWaalsContact CB-O 3.23Å; F26-V36 WeakPolarHBondContact CB-O 3.22Å; F26-V36 HydrophobicContact CD1-CB 4.11Å; F26-V36 HydrophobicContact CD1-CG1 3.77Å; F26-V36 HydrophobicContact CG-CB 4.42Å; F26-V36 HydrophobicContact CG-CG1 3.91Å; F26-V36 PolarHBondContact N-O 3.4Å; F26-V36 VanDerWaalsContact N-O 3.08Å; S34-V36 PolarHBondContact O-N 3.05Å; V36-I44 HydrophobicContact CG1-CB 3.83Å; V36-I44 HydrophobicContact CG1-CD1 3.67Å; V36-I44 HydrophobicContact CG1-CG1 4.31Å; V36-I44 HydrophobicContact CG1-CG2 4.09Å
37L89.3Confident85.5Confident2 Ų232 Ų321%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-120.1147.5-179.5-57.8167.5000109.4L23 E24 C35 I44 C45 L88 H187 F206L23-L37 HydrophobicContact CB-CB 4.19Å; L23-L37 HydrophobicContact CB-CD1 4.16Å; L23-L37 HydrophobicContact CD1-CB 4.37Å; L23-L37 HydrophobicContact CD1-CD1 3.58Å; E24-L37 CarbonylContact O-C 3.54Å; E24-L37 VanDerWaalsContact O-CA 3.23Å; E24-L37 WeakPolarHBondContact O-CA 3.47Å; C35-L37 VanDerWaalsContact SG-CD2 3.5Å; L37-I44 CarbonylContact O-C 3.48Å; L37-I44 VanDerWaalsContact O-CA 3.27Å; L37-I44 WeakPolarHBondContact O-CA 3.13Å; L37-I44 WeakPolarHBondContact O-CB 3.42Å; L37-C45 PolarHBondContact N-O 2.88Å; L37-C45 PolarHBondContact O-N 3.06Å; L37-L88 HydrophobicContact CD1-CD1 3.38Å; L37-L88 HydrophobicContact CD2-CD1 4.01Å; L37-L88 HydrophobicContact CG-CD1 4.36Å; L37-H187 WeakPolarHBondContact CD2-CE1 3.34Å; L37-F206 HydrophobicContact CD1-CD1 4.41Å; L37-F206 HydrophobicContact CD1-CE1 3.66Å; L37-F206 HydrophobicContact CD1-CZ 4.31Å
38R90.3Very high86Confident80 Ų8031.4 Ų31.430%0.30217%0.165SC..EExtended strand (participates in β ladder)trans-82.1128.2175.3-169.8173.284106.1-3.9109.4E24 G40E24-R38 HydrophobicContact CB-CB 4.31Å; E24-R38 PolarHBondContact N-O 3.06Å; E24-R38 PolarHBondContact O-N 3Å; E24-R38 IonicContact OE1-NH2 3.67Å; E24-R38 IonicContact OE2-CZ 2.58Å; E24-R38 IonicContact OE2-NE 2.69Å; E24-R38 PolarHBondContact OE2-NE 2.77Å; E24-R38 IonicContact OE2-NH2 2.66Å; E24-R38 PolarHBondContact OE2-NH2 2.78Å; R38-G40 WeakPolarHBondContact CG-O 3.35Å
39F89.9Confident86.5Confident3 Ų332.1 Ų32.11%0.01317%0.169CC..  trans-117.381.8173-176.9-87.8000106.6M9 V21 L23 T43 C45 V74 A90 L208M9-F39 HydrophobicContact CE-CZ 4.23Å; M9-F39 HydrophobicContact CG-CE1 4.13Å; M9-F39 HydrophobicContact CG-CZ 4.01Å; M9-F39 HydrophobicContact SD-CZ 4.31Å; V21-F39 HydrophobicContact CB-CD2 4.35Å; V21-F39 HydrophobicContact CB-CE2 3.81Å; V21-F39 HydrophobicContact CB-CZ 4.37Å; V21-F39 HydrophobicContact CG1-CD2 4.12Å; V21-F39 HydrophobicContact CG1-CE2 4.01Å; V21-F39 HydrophobicContact CG2-CE2 4Å; V21-F39 HydrophobicContact CG2-CZ 4.07Å; L23-F39 HydrophobicContact CD2-CB 4.15Å; L23-F39 HydrophobicContact CD2-CD2 3.71Å; L23-F39 HydrophobicContact CD2-CG 4.42Å; F39-T43 CarbonylContact C-O 3.51Å; F39-T43 WeakPolarHBondContact CA-O 3.43Å; F39-T43 HydrophobicContact CB-CG2 4.28Å; F39-T43 HydrophobicContact CD1-CG2 3.97Å; F39-T43 PolarHBondContact N-O 2.76Å; F39-T43 CarbonylContact O-C 3.59Å; F39-T43 WeakPolarHBondContact O-CB 3.47Å; F39-C45 HydrophobicContact CB-CB 4.49Å; F39-V74 HydrophobicContact CE2-CG1 4.46Å; F39-A90 HydrophobicContact CD2-CB 3.94Å; F39-A90 HydrophobicContact CE2-CB 3.69Å; F39-L208 HydrophobicContact CB-CD2 4.34Å; F39-L208 HydrophobicContact CD1-CD1 4.43Å; F39-L208 HydrophobicContact CD1-CD2 4.27Å; F39-L208 HydrophobicContact CD2-CD2 4.2Å; F39-L208 HydrophobicContact CE1-CD1 4.25Å; F39-L208 HydrophobicContact CG-CD2 4.01Å
40G88.2Confident86.9Confident16 Ų1634.6 Ų34.617%0.16519%0.187CC..SBendtrans70.9-171.4-169.600000113.5R38R38-G40 WeakPolarHBondContact CG-O 3.35Å
41E87.7Confident87.3Confident131 Ų13136.3 Ų36.361%0.61219%0.193SC*.SBendtrans-75.8-45.4-172.1-64.8-171.5164.400112.9N211 W214E41-N211 PolarHBondContact O-ND2 3.04Å; E41-W214 VanDerWaalsContact O-CB 3.24Å; E41-W214 WeakPolarHBondContact O-CB 3.28Å
42Q92.4Very high88Confident67 Ų6736.2 Ų36.231%0.31319%0.191SC..SBendtrans-94.31-171.7-55.6-175.63300113.7K71 N211 W214Q42-K71 PolarHBondContact O-NZ 2.74Å; Q42-N211 VanDerWaalsContact C-CB 3.48Å; Q42-N211 PolarHBondContact O-N 2.71Å; Q42-W214 HydrophobicContact CB-CG 4.36Å; Q42-W214 HydrophobicContact CG-CD2 3.85Å; Q42-W214 HydrophobicContact CG-CE3 4.11Å; Q42-W214 HydrophobicContact CG-CG 4.13Å; Q42-W214 HydrophobicContact CG-CZ2 4.37Å
43T93.9Very high89Confident0 Ų037.4 Ų37.40%019%0.191CC..EExtended strand (participates in β ladder)trans-133135.3-171.9-46.80000110.5L8 D12 F39 K71 L208 L209L8-T43 HydrophobicContact CD2-CG2 4.36Å; D12-T43 PolarHBondContact OD2-OG1 3.22Å; D12-T43 VanDerWaalsContact OD2-OG1 3.14Å; F39-T43 CarbonylContact C-O 3.51Å; F39-T43 WeakPolarHBondContact CA-O 3.43Å; F39-T43 HydrophobicContact CB-CG2 4.28Å; F39-T43 HydrophobicContact CD1-CG2 3.97Å; F39-T43 PolarHBondContact N-O 2.76Å; F39-T43 CarbonylContact O-C 3.59Å; F39-T43 WeakPolarHBondContact O-CB 3.47Å; T43-K71 HydrophobicContact CG2-CB 4.46Å; T43-K71 HydrophobicContact CG2-CD 3.68Å; T43-K71 WeakPolarHBondContact OG1-CD 3.49Å; T43-K71 PolarHBondContact OG1-NZ 2.93Å; T43-L208 HydrophobicContact CG2-CB 4Å; T43-L208 HydrophobicContact CG2-CD2 4.33Å; T43-L209 CarbonylContact C-O 3.59Å; T43-L209 WeakPolarHBondContact CA-O 3.35Å; T43-L209 WeakPolarHBondContact CG2-O 3.35Å
44I94.6Very high90.1Very high24 Ų2434.2 Ų34.212%0.12318%0.177CC..EExtended strand (participates in β ladder)trans-112.2160.8167.356.2164.5000109.2F26 V36 L37 L208 L209 N211F26-I44 HydrophobicContact CD2-CG2 3.84Å; F26-I44 HydrophobicContact CE2-CG2 4.03Å; F26-I44 HydrophobicContact CG-CG2 4.22Å; V36-I44 HydrophobicContact CG1-CB 3.83Å; V36-I44 HydrophobicContact CG1-CD1 3.67Å; V36-I44 HydrophobicContact CG1-CG1 4.31Å; V36-I44 HydrophobicContact CG1-CG2 4.09Å; L37-I44 CarbonylContact O-C 3.48Å; L37-I44 VanDerWaalsContact O-CA 3.27Å; L37-I44 WeakPolarHBondContact O-CA 3.13Å; L37-I44 WeakPolarHBondContact O-CB 3.42Å; I44-L208 WeakPolarHBondContact O-CA 3.48Å; I44-L209 HydrophobicContact CD1-CB 4.48Å; I44-L209 HydrophobicContact CG1-CB 4.08Å; I44-L209 PolarHBondContact N-O 3.23Å; I44-L209 PolarHBondContact O-N 3.08Å; I44-N211 HydrophobicContact CG2-CB 3.89Å
45C92.9Very high91.1Very high0 Ų031.7 Ų31.70%016%0.159CC..EExtended strand (participates in β ladder)trans-132.5149.6170.576.50000111.2L37 F39 F206 I207 L208L37-C45 PolarHBondContact N-O 2.88Å; L37-C45 PolarHBondContact O-N 3.06Å; F39-C45 HydrophobicContact CB-CB 4.49Å; C45-F206 HydrophobicContact CB-CB 4.23Å; C45-F206 HydrophobicContact CB-CD1 4.21Å; C45-I207 WeakPolarHBondContact CA-O 3.45Å; C45-L208 HydrophobicContact CB-CD2 3.52Å
46K91.6Very high92Very high17 Ų1731.9 Ų31.97%0.07416%0.159CC..EExtended strand (participates in β ladder)trans-140.2157.3173.463176.4175.9170.80110L48 E52 F206 I207 L209 D416K46-L48 PolarHBondContact O-N 3.16Å; K46-E52 VanDerWaalsContact CE-CD 3.45Å; K46-E52 WeakPolarHBondContact CE-OE1 3.22Å; K46-E52 WeakPolarHBondContact CE-OE2 3.35Å; K46-E52 IonicContact NZ-OE1 2.89Å; K46-E52 PolarHBondContact NZ-OE1 3.3Å; K46-E52 IonicContact NZ-OE2 3.76Å; K46-E52 PolarHBondContact NZ-OE2 3.49Å; K46-F206 CarbonylContact O-C 3.46Å; K46-F206 WeakPolarHBondContact O-CA 3.41Å; K46-F206 WeakPolarHBondContact O-CB 3.38Å; K46-F206 WeakPolarHBondContact O-CD1 3.48Å; K46-I207 HydrophobicContact CD-CG2 4.4Å; K46-I207 HydrophobicContact CG-CG2 3.47Å; K46-I207 VanDerWaalsContact CG-CG2 3.47Å; K46-I207 PolarHBondContact N-O 3.46Å; K46-I207 VanDerWaalsContact N-O 3.14Å; K46-I207 WeakPolarHBondContact O-CG2 3.38Å; K46-I207 PolarHBondContact O-N 3.37Å; K46-L209 HydrophobicContact CD-CD1 4.48Å; K46-D416 IonicContact NZ-OD1 3.63Å
47P91.2Very high92.2Very high24 Ų2437 Ų3716%0.15618%0.179CC..EExtended strand (participates in β ladder)trans-53.4133177.3-23.231.3000110.6C35 I49 Q190 M194 F206C35-P47 WeakPolarHBondContact O-CD 3.49Å; P47-I49 PolarHBondContact O-N 3.4Å; P47-Q190 VanDerWaalsContact CG-NE2 3.31Å; P47-M194 HydrophobicContact CB-CE 4.48Å; P47-M194 HydrophobicContact CG-CE 3.82Å; P47-F206 HydrophobicContact CB-CE2 4.46Å; P47-F206 HydrophobicContact CB-CZ 4.33Å; P47-F206 HydrophobicContact CG-CE1 3.84Å; P47-F206 HydrophobicContact CG-CE2 4.36Å; P47-F206 HydrophobicContact CG-CZ 3.76Å
48L93.1Very high92.3Very high18 Ų1841.2 Ų41.29%0.09420%0.202CC..PPolyproline II helixtrans-71.1120-178-173.9153.6000109.6K46 H53 V73 N102 K205K46-L48 PolarHBondContact O-N 3.16Å; L48-H53 HydrophobicContact CD1-CB 4.15Å; L48-H53 HydrophobicContact CD2-CB 4.05Å; L48-H53 HydrophobicContact CG-CB 3.95Å; L48-V73 HydrophobicContact CD1-CB 4.33Å; L48-V73 HydrophobicContact CD1-CG1 3.57Å; L48-V73 HydrophobicContact CD1-CG2 3.69Å; L48-N102 PolarHBondContact O-ND2 2.85Å; L48-K205 HydrophobicContact CB-CB 4.06Å; L48-K205 VanDerWaalsContact CB-O 3.27Å; L48-K205 WeakPolarHBondContact CB-O 3.21Å; L48-K205 HydrophobicContact CD1-CB 4.31Å; L48-K205 PolarHBondContact N-O 2.82Å
49I92.2Very high92.3Very high49 Ų4938.8 Ų38.825%0.25120%0.195SC..PPolyproline II helixtrans-98.8124.7165.1-63.2172.1000107.2P47 R51 E52 H53 A418P47-I49 PolarHBondContact O-N 3.4Å; I49-R51 VanDerWaalsContact C-N 3.3Å; I49-R51 HydrophobicContact CG2-CB 4.37Å; I49-R51 PolarHBondContact O-N 2.95Å; I49-E52 HydrophobicContact CB-CB 4.18Å; I49-E52 PolarHBondContact O-N 2.91Å; I49-E52 VanDerWaalsContact O-N 3.16Å; I49-H53 PolarHBondContact O-N 2.83Å; I49-A418 HydrophobicContact CD1-CB 3.73Å; I49-A418 HydrophobicContact CG2-CB 4.01Å
50P92.2Very high92.3Very high71 Ų7139.4 Ų39.446%0.46120%0.199SC..Hα-helixtrans-52.9-45.2-175.1-29.835.8000113.5E52 H53 Q54P50-E52 PolarHBondContact O-N 2.79Å; P50-H53 PolarHBondContact O-N 2.92Å; P50-Q54 WeakPolarHBondContact O-CB 3.42Å; P50-Q54 PolarHBondContact O-N 3.43Å
51R91.6Very high92.4Very high40 Ų4044.1 Ų44.115%0.15122%0.22CC..Hα-helixtrans-60.3-46.1179.4-169.857.953.3154.74.9113I49 Q54 F55 A418 T420 E427 D428I49-R51 VanDerWaalsContact C-N 3.3Å; I49-R51 HydrophobicContact CG2-CB 4.37Å; I49-R51 PolarHBondContact O-N 2.95Å; R51-Q54 PolarHBondContact O-N 2.95Å; R51-F55 PolarHBondContact O-N 3.37Å; R51-A418 WeakPolarHBondContact CB-O 3.46Å; R51-A418 WeakPolarHBondContact CG-O 3.3Å; R51-T420 WeakPolarHBondContact CD-O 3.26Å; R51-E427 IonicContact CZ-OE2 3.75Å; R51-E427 IonicContact NH2-OE2 3.36Å; R51-E427 PolarHBondContact NH2-OE2 3.17Å; R51-D428 IonicContact CZ-OD1 3.87Å; R51-D428 IonicContact NH1-OD1 2.89Å; R51-D428 PolarHBondContact NH1-OD1 3.46Å; R51-D428 IonicContact NH1-OD2 3.33Å; R51-D428 IonicContact NH2-OD1 3.73Å; R51-D428 PolarHBondContact NH2-OD1 3.48Å
52E94.8Very high92.6Very high4 Ų442.2 Ų42.22%0.01921%0.211CC..Hα-helixtrans-67.3-39.9177.8176.9158.5-13600111.8K46 I49 P50 Q54 F55 Y56 F417 A418K46-E52 VanDerWaalsContact CE-CD 3.45Å; K46-E52 WeakPolarHBondContact CE-OE1 3.22Å; K46-E52 WeakPolarHBondContact CE-OE2 3.35Å; K46-E52 IonicContact NZ-OE1 2.89Å; K46-E52 PolarHBondContact NZ-OE1 3.3Å; K46-E52 IonicContact NZ-OE2 3.76Å; K46-E52 PolarHBondContact NZ-OE2 3.49Å; I49-E52 HydrophobicContact CB-CB 4.18Å; I49-E52 PolarHBondContact O-N 2.91Å; I49-E52 VanDerWaalsContact O-N 3.16Å; P50-E52 PolarHBondContact O-N 2.79Å; E52-Q54 VanDerWaalsContact C-N 3.34Å; E52-Q54 PolarHBondContact O-N 2.9Å; E52-F55 WeakPolarHBondContact O-CB 3.49Å; E52-F55 PolarHBondContact O-N 3.26Å; E52-Y56 HydrophobicContact CG-CD2 3.9Å; E52-Y56 HydrophobicContact CG-CE2 3.75Å; E52-Y56 VanDerWaalsContact O-CD2 3.29Å; E52-Y56 WeakPolarHBondContact O-CD2 3.42Å; E52-Y56 PolarHBondContact O-N 3.15Å; E52-F417 HydrophobicContact CG-CB 4.18Å; E52-F417 PolarHBondContact OE1-N 3.18Å; E52-F417 VanDerWaalsContact OE1-N 3.09Å; E52-A418 HydrophobicContact CB-CB 4.47Å
53H94.7Very high92.6Very high43 Ų4339 Ų3920%0.19920%0.197CC..Hα-helixtrans-62.1-42.6174.9177.8-136.7000111.7L48 I49 P50 F55 Y56 K57 Y70 I207L48-H53 HydrophobicContact CD1-CB 4.15Å; L48-H53 HydrophobicContact CD2-CB 4.05Å; L48-H53 HydrophobicContact CG-CB 3.95Å; I49-H53 PolarHBondContact O-N 2.83Å; P50-H53 PolarHBondContact O-N 2.92Å; H53-F55 VanDerWaalsContact C-N 3.3Å; H53-F55 PolarHBondContact O-N 3.44Å; H53-Y56 PolarHBondContact O-N 3.22Å; H53-K57 WeakPolarHBondContact NE2-CE 2.86Å; H53-K57 WeakPolarHBondContact O-CB 3.41Å; H53-K57 WeakPolarHBondContact O-CG 3.19Å; H53-K57 PolarHBondContact O-N 3.13Å; H53-Y70 AromaticContact CD2-CE2 3.78Å; H53-Y70 AromaticContact CD2-CZ 3.95Å; H53-Y70 AromaticContact NE2-CZ 3.78Å; H53-Y70 PolarHBondContact NE2-OH 3.35Å; H53-I207 HydrophobicContact CB-CD1 4.39Å
54Q93.5Very high92.6Very high51 Ų5145.9 Ų45.924%0.23822%0.222CC..Hα-helixtrans-61.2-38.8174.7-174.5-179.317.200111.9P50 R51 E52 K57 N58 Y425P50-Q54 WeakPolarHBondContact O-CB 3.42Å; P50-Q54 PolarHBondContact O-N 3.43Å; R51-Q54 PolarHBondContact O-N 2.95Å; E52-Q54 VanDerWaalsContact C-N 3.34Å; E52-Q54 PolarHBondContact O-N 2.9Å; Q54-K57 PolarHBondContact O-N 2.66Å; Q54-N58 PolarHBondContact O-N 3.12Å; Q54-N58 PolarHBondContact O-ND2 3.42Å; Q54-Y425 HydrophobicContact CG-CD1 4.47Å; Q54-Y425 HydrophobicContact CG-CE1 4.24Å
55F94.1Very high92.6Very high0 Ų049.6 Ų49.60%024%0.238CC..Hα-helixtrans-60.9-50.9174.1177.5-95000111.8R51 E52 H53 K57 N58 L59 M63 T67 Y327 F329 F417 T420 Y425R51-F55 PolarHBondContact O-N 3.37Å; E52-F55 WeakPolarHBondContact O-CB 3.49Å; E52-F55 PolarHBondContact O-N 3.26Å; H53-F55 VanDerWaalsContact C-N 3.3Å; H53-F55 PolarHBondContact O-N 3.44Å; F55-K57 VanDerWaalsContact C-N 3.28Å; F55-K57 PolarHBondContact O-N 2.91Å; F55-N58 CarbonylContact O-C 3.59Å; F55-N58 PolarHBondContact O-N 3.19Å; F55-N58 VanDerWaalsContact O-N 3.16Å; F55-L59 HydrophobicContact CD1-CD1 4.26Å; F55-L59 HydrophobicContact CE1-CD1 3.43Å; F55-L59 VanDerWaalsContact CE1-CD1 3.43Å; F55-L59 HydrophobicContact CZ-CD1 3.58Å; F55-L59 WeakPolarHBondContact O-CA 3.32Å; F55-L59 PolarHBondContact O-N 2.89Å; F55-M63 HydrophobicContact CE2-SD 4.39Å; F55-M63 HydrophobicContact CZ-CE 4.01Å; F55-M63 HydrophobicContact CZ-SD 4Å; F55-T67 HydrophobicContact CE1-CG2 4.38Å; F55-Y327 HydrophobicContact CD2-CE1 4.22Å; F55-Y327 HydrophobicContact CE2-CD1 4.22Å; F55-Y327 AromaticContact CE2-CE1 3.96Å; F55-Y327 HydrophobicContact CE2-CE1 3.96Å; F55-F329 AromaticContact CE2-CE1 3.7Å; F55-F329 HydrophobicContact CE2-CE1 3.7Å; F55-F329 HydrophobicContact CE2-CZ 4.42Å; F55-F329 AromaticContact CZ-CE1 3.92Å; F55-F329 HydrophobicContact CZ-CE1 3.92Å; F55-F417 HydrophobicContact CB-CB 3.89Å; F55-F417 HydrophobicContact CD1-CB 3.48Å; F55-F417 VanDerWaalsContact CD1-CB 3.48Å; F55-F417 AromaticContact CD1-CD1 3.76Å; F55-F417 HydrophobicContact CD1-CD1 3.76Å; F55-F417 AromaticContact CD1-CD2 3.33Å; F55-F417 HydrophobicContact CD1-CD2 3.33Å; F55-F417 HydrophobicContact CD1-CE1 4.33Å; F55-F417 AromaticContact CD1-CE2 3.96Å; F55-F417 HydrophobicContact CD1-CE2 3.96Å; F55-F417 AromaticContact CD1-CG 3.21Å; F55-F417 HydrophobicContact CD1-CG 3.21Å; F55-F417 HydrophobicContact CD1-CZ 4.42Å; F55-F417 HydrophobicContact CD2-CB 4.42Å; F55-F417 HydrophobicContact CE1-CB 4.1Å; F55-F417 AromaticContact CE1-CD1 3.43Å; F55-F417 HydrophobicContact CE1-CD1 3.43Å; F55-F417 VanDerWaalsContact CE1-CD1 3.43Å; F55-F417 AromaticContact CE1-CD2 3.4Å; F55-F417 HydrophobicContact CE1-CD2 3.4Å; F55-F417 AromaticContact CE1-CE1 3.58Å; F55-F417 HydrophobicContact CE1-CE1 3.58Å; F55-F417 AromaticContact CE1-CE2 3.54Å; F55-F417 HydrophobicContact CE1-CE2 3.54Å; F55-F417 AromaticContact CE1-CG 3.34Å; F55-F417 HydrophobicContact CE1-CG 3.34Å; F55-F417 AromaticContact CE1-CZ 3.63Å; F55-F417 HydrophobicContact CE1-CZ 3.63Å; F55-F417 HydrophobicContact CE2-CD1 4.31Å; F55-F417 HydrophobicContact CG-CB 3.65Å; F55-F417 HydrophobicContact CG-CD1 4.3Å; F55-F417 HydrophobicContact CG-CD2 4.36Å; F55-F417 AromaticContact CG-CG 3.86Å; F55-F417 HydrophobicContact CG-CG 3.86Å; F55-F417 AromaticContact CZ-CD1 3.74Å; F55-F417 HydrophobicContact CZ-CD1 3.74Å; F55-F417 HydrophobicContact CZ-CD2 4.47Å; F55-F417 AromaticContact CZ-CE1 3.81Å; F55-F417 HydrophobicContact CZ-CE1 3.81Å; F55-F417 HydrophobicContact CZ-CG 4.09Å; F55-F417 HydrophobicContact CZ-CZ 4.21Å; F55-T420 HydrophobicContact CD2-CG2 3.68Å; F55-T420 HydrophobicContact CE2-CG2 3.95Å; F55-Y425 WeakPolarHBondContact CA-OH 3.49Å; F55-Y425 WeakPolarHBondContact CD2-OH 3.22Å
56Y95.3Very high92.8Very high10 Ų1049.6 Ų49.64%0.03924%0.238CC..Hα-helixtrans-62.9-33.4177.9-81.6-69.7000113.4E52 H53 P68 Y70 I207 L209 F417E52-Y56 HydrophobicContact CG-CD2 3.9Å; E52-Y56 HydrophobicContact CG-CE2 3.75Å; E52-Y56 VanDerWaalsContact O-CD2 3.29Å; E52-Y56 WeakPolarHBondContact O-CD2 3.42Å; E52-Y56 PolarHBondContact O-N 3.15Å; H53-Y56 PolarHBondContact O-N 3.22Å; Y56-P68 VanDerWaalsContact CE1-O 3.3Å; Y56-P68 WeakPolarHBondContact CE1-O 3.27Å; Y56-Y70 HydrophobicContact CG-CD2 4.41Å; Y56-I207 HydrophobicContact CD2-CD1 3.63Å; Y56-I207 HydrophobicContact CE2-CD1 4.28Å; Y56-I207 HydrophobicContact CG-CD1 4.24Å; Y56-L209 HydrophobicContact CD1-CD2 4.09Å; Y56-L209 HydrophobicContact CD2-CD2 4.06Å; Y56-L209 HydrophobicContact CE1-CD2 3.74Å; Y56-L209 HydrophobicContact CE2-CD1 4.01Å; Y56-L209 HydrophobicContact CE2-CD2 3.72Å; Y56-L209 HydrophobicContact CG-CD2 4.24Å; Y56-F417 HydrophobicContact CD2-CD2 4.5Å; Y56-F417 HydrophobicContact CE1-CD2 4.42Å; Y56-F417 HydrophobicContact CE1-CE2 4.21Å; Y56-F417 AromaticContact CE2-CD2 3.76Å; Y56-F417 HydrophobicContact CE2-CD2 3.76Å; Y56-F417 HydrophobicContact CE2-CE2 4.26Å; Y56-F417 AromaticContact CZ-CD2 3.73Å; Y56-F417 AromaticContact CZ-CE2 3.73Å; Y56-F417 WeakPolarHBondContact OH-CE2 3.23Å
57K92.5Very high93.1Very high126 Ų12648.9 Ų48.955%0.54823%0.234SC..Hα-helixtrans-67-35.6175.1-77.5-65.2-152.2178.20113H53 Q54 F55 Y70H53-K57 WeakPolarHBondContact NE2-CE 2.86Å; H53-K57 WeakPolarHBondContact O-CB 3.41Å; H53-K57 WeakPolarHBondContact O-CG 3.19Å; H53-K57 PolarHBondContact O-N 3.13Å; Q54-K57 PolarHBondContact O-N 2.66Å; F55-K57 VanDerWaalsContact C-N 3.28Å; F55-K57 PolarHBondContact O-N 2.91Å; K57-Y70 HydrophobicContact CD-CE1 4.18Å
58N91.3Very high93.3Very high92 Ų9248 Ų4849%0.49223%0.229SC..THydrogen-bonded Turntrans-11228.3-175.8-58.4-62.4000112.2Q54 F55 P60Q54-N58 PolarHBondContact O-N 3.12Å; Q54-N58 PolarHBondContact O-ND2 3.42Å; F55-N58 CarbonylContact O-C 3.59Å; F55-N58 PolarHBondContact O-N 3.19Å; F55-N58 VanDerWaalsContact O-N 3.16Å; N58-P60 WeakPolarHBondContact O-CD 3.4Å
59L90.4Very high93.4Very high28 Ų2853 Ų5315%0.14725%0.252CS..  trans-61.1124.6-173.1-179.869.7000111F55 M63 R64 T67F55-L59 HydrophobicContact CD1-CD1 4.26Å; F55-L59 HydrophobicContact CE1-CD1 3.43Å; F55-L59 VanDerWaalsContact CE1-CD1 3.43Å; F55-L59 HydrophobicContact CZ-CD1 3.58Å; F55-L59 WeakPolarHBondContact O-CA 3.32Å; F55-L59 PolarHBondContact O-N 2.89Å; L59-M63 HydrophobicContact CD1-CB 3.96Å; L59-R64 HydrophobicContact CD2-CB 4.3Å; L59-R64 HydrophobicContact CD2-CG 4.35Å; L59-T67 HydrophobicContact CD1-CG2 3.98Å; L59-T67 WeakPolarHBondContact CD2-OG1 3.47Å
60P90.3Very high93.6Very high16 Ų1653.2 Ų53.210%0.10425%0.25CC..  trans-54.7143.7173.8-27.135.5000112.2N58 E62 M63 R64 Y327N58-P60 WeakPolarHBondContact O-CD 3.4Å; P60-E62 PolarHBondContact O-N 3.02Å; P60-M63 HydrophobicContact CB-CB 4.32Å; P60-M63 HydrophobicContact CB-CG 4.14Å; P60-M63 HydrophobicContact CG-CG 4.37Å; P60-M63 HydrophobicContact CG-SD 4.19Å; P60-M63 PolarHBondContact O-N 3.02Å; P60-M63 VanDerWaalsContact O-N 3.13Å; P60-R64 PolarHBondContact O-N 3.13Å; P60-Y327 HydrophobicContact CG-CD2 4.4Å; P60-Y327 HydrophobicContact CG-CE1 4.15Å; P60-Y327 HydrophobicContact CG-CE2 3.56Å; P60-Y327 VanDerWaalsContact CG-CZ 3.42Å; P60-Y327 WeakPolarHBondContact CG-OH 3.48Å
61L90.3Very high93.7Very high115 Ų11551.3 Ų51.360%0.60223%0.234SC*.G310 helixtrans-59.6-38.9-177.6-62.9-178.1000111.2M63 R64L61-M63 VanDerWaalsContact C-N 3.28Å; L61-M63 PolarHBondContact O-N 2.87Å; L61-R64 WeakPolarHBondContact O-CB 3.2Å; L61-R64 PolarHBondContact O-N 3.16Å
62E91.2Very high93.8Very high91 Ų9150.1 Ų50.143%0.42523%0.234SC..G310 helixtrans-63-34.9-179.1-59.572.3-159.200111.2P60 A320 A323P60-E62 PolarHBondContact O-N 3.02Å; E62-A320 HydrophobicContact CB-CB 4.13Å; E62-A323 HydrophobicContact CG-CB 4.39Å
63M93.1Very high93.7Very high1 Ų150.9 Ų50.91%0.00524%0.239CC..G310 helixtrans-86.7-12.1-178.6-66.9-16674.500113.8F55 L59 P60 L61 K65 F66 T67 L321 F329 M414F55-M63 HydrophobicContact CE2-SD 4.39Å; F55-M63 HydrophobicContact CZ-CE 4.01Å; F55-M63 HydrophobicContact CZ-SD 4Å; L59-M63 HydrophobicContact CD1-CB 3.96Å; P60-M63 HydrophobicContact CB-CB 4.32Å; P60-M63 HydrophobicContact CB-CG 4.14Å; P60-M63 HydrophobicContact CG-CG 4.37Å; P60-M63 HydrophobicContact CG-SD 4.19Å; P60-M63 PolarHBondContact O-N 3.02Å; P60-M63 VanDerWaalsContact O-N 3.13Å; L61-M63 VanDerWaalsContact C-N 3.28Å; L61-M63 PolarHBondContact O-N 2.87Å; M63-K65 VanDerWaalsContact C-N 3.28Å; M63-K65 PolarHBondContact O-N 2.91Å; M63-F66 CarbonylContact O-C 3.58Å; M63-F66 WeakPolarHBondContact O-CA 3.4Å; M63-F66 PolarHBondContact O-N 2.98Å; M63-T67 HydrophobicContact CB-CG2 4.48Å; M63-T67 HydrophobicContact CE-CG2 4.37Å; M63-T67 PolarHBondContact O-N 3.16Å; M63-T67 PolarHBondContact O-OG1 2.71Å; M63-T67 VanDerWaalsContact O-OG1 3.14Å; M63-L321 HydrophobicContact CE-CD2 4.03Å; M63-F329 HydrophobicContact CE-CE1 3.7Å; M63-F329 HydrophobicContact CE-CE2 4.45Å; M63-F329 HydrophobicContact CE-CZ 3.58Å; M63-F329 HydrophobicContact SD-CE1 4.01Å; M63-F329 HydrophobicContact SD-CZ 3.51Å; M63-F329 VanDerWaalsContact SD-CZ 3.51Å; M63-M414 HydrophobicContact CE-CE 3.84Å; M63-M414 HydrophobicContact CE-SD 3.56Å; M63-M414 VanDerWaalsContact CE-SD 3.56Å
64R93.6Very high93.6Very high144 Ų14448.9 Ų48.954%0.54323%0.23SC..G310 helixtrans-56.9-40.2-173.8-171.2179-66.9132.1-3.5113.1L59 P60 L61 F66L59-R64 HydrophobicContact CD2-CB 4.3Å; L59-R64 HydrophobicContact CD2-CG 4.35Å; P60-R64 PolarHBondContact O-N 3.13Å; L61-R64 WeakPolarHBondContact O-CB 3.2Å; L61-R64 PolarHBondContact O-N 3.16Å; R64-F66 PolarHBondContact O-N 3.06Å
65K95Very high93.5Very high101 Ų10147 Ų4744%0.43922%0.223SC..G310 helixtrans-74.3-12178.165.4171.6174163.50114.2M63 E316M63-K65 VanDerWaalsContact C-N 3.28Å; M63-K65 PolarHBondContact O-N 2.91Å; K65-E316 IonicContact NZ-OE2 3.95Å; K65-E316 PolarHBondContact NZ-OE2 2.83Å
66F97Very high93.3Very high1 Ų147 Ų470%0.00422%0.223CC..G310 helixtrans-109.99.1-176.9-63.9-59.4000113.1M63 R64 E316 M317 A320 R413 M414M63-F66 CarbonylContact O-C 3.58Å; M63-F66 WeakPolarHBondContact O-CA 3.4Å; M63-F66 PolarHBondContact O-N 2.98Å; R64-F66 PolarHBondContact O-N 3.06Å; F66-E316 HydrophobicContact CE1-CB 4.36Å; F66-E316 VanDerWaalsContact CZ-C 3.41Å; F66-E316 HydrophobicContact CZ-CB 3.63Å; F66-M317 HydrophobicContact CB-CE 4.08Å; F66-M317 HydrophobicContact CD1-CB 3.88Å; F66-M317 HydrophobicContact CD1-CE 3.75Å; F66-M317 HydrophobicContact CD1-CG 4.2Å; F66-M317 HydrophobicContact CD2-CB 4.33Å; F66-M317 HydrophobicContact CD2-CG 4.39Å; F66-M317 HydrophobicContact CE1-CB 3.77Å; F66-M317 HydrophobicContact CE2-CB 4.21Å; F66-M317 HydrophobicContact CG-CB 4.17Å; F66-M317 HydrophobicContact CG-CE 4.13Å; F66-M317 HydrophobicContact CG-CG 4.12Å; F66-M317 VanDerWaalsContact CZ-CA 3.46Å; F66-M317 HydrophobicContact CZ-CB 3.94Å; F66-A320 HydrophobicContact CD2-CB 3.9Å; F66-A320 HydrophobicContact CE2-CB 3.63Å; F66-R413 CarbonylContact O-C 3.53Å; F66-R413 WeakPolarHBondContact O-CA 3.31Å; F66-M414 PolarHBondContact O-N 3.11Å
67T96.9Very high92.9Very high1 Ų147 Ų471%0.00622%0.224CC..SBendtrans-132.1152179.153.80000109.3F55 L59 M63 R413 M414 F417F55-T67 HydrophobicContact CE1-CG2 4.38Å; L59-T67 HydrophobicContact CD1-CG2 3.98Å; L59-T67 WeakPolarHBondContact CD2-OG1 3.47Å; M63-T67 HydrophobicContact CB-CG2 4.48Å; M63-T67 HydrophobicContact CE-CG2 4.37Å; M63-T67 PolarHBondContact O-N 3.16Å; M63-T67 PolarHBondContact O-OG1 2.71Å; M63-T67 VanDerWaalsContact O-OG1 3.14Å; T67-R413 PolarHBondContact O-NH1 3.24Å; T67-M414 HydrophobicContact CG2-CB 4.41Å; T67-F417 HydrophobicContact CG2-CE1 4.45Å; T67-F417 HydrophobicContact CG2-CE2 3.98Å; T67-F417 HydrophobicContact CG2-CZ 3.53Å
68P96.8Very high92.4Very high6 Ų642.2 Ų42.24%0.03920%0.203CC..PPolyproline II helixtrans-55.8139.6172.1-23.231.3000111Y56 Y70 L209 E210 L212 M414 I415Y56-P68 VanDerWaalsContact CE1-O 3.3Å; Y56-P68 WeakPolarHBondContact CE1-O 3.27Å; P68-Y70 PolarHBondContact O-N 3.02Å; P68-L209 HydrophobicContact CB-CB 4.2Å; P68-E210 HydrophobicContact CB-CB 4.23Å; P68-L212 HydrophobicContact CG-CD1 4.11Å; P68-L212 HydrophobicContact CG-CG 4.42Å; P68-M414 WeakPolarHBondContact CD-O 3.45Å; P68-I415 HydrophobicContact CG-CG2 3.96Å
69Q95.7Very high91.9Very high122 Ų12241.3 Ų41.357%0.5720%0.196SC*.PPolyproline II helixtrans-61.7126.4174.8-169.3-176.121.800110.8L209 E210Q69-L209 CarbonylContact O-C 3.59Å; Q69-L209 WeakPolarHBondContact O-CA 3.48Å; Q69-E210 HydrophobicContact CB-CB 3.92Å; Q69-E210 PolarHBondContact N-OE2 2.89Å; Q69-E210 PolarHBondContact O-N 3.31Å
70Y95.6Very high91.3Very high55 Ų5546.5 Ų46.522%0.21622%0.219CC..EExtended strand (participates in β ladder)trans-73.1125.5170.1170.8-104.5000110.8H53 Y56 K57 P68 G72 V73 I207 L209H53-Y70 AromaticContact CD2-CE2 3.78Å; H53-Y70 AromaticContact CD2-CZ 3.95Å; H53-Y70 AromaticContact NE2-CZ 3.78Å; H53-Y70 PolarHBondContact NE2-OH 3.35Å; Y56-Y70 HydrophobicContact CG-CD2 4.41Å; K57-Y70 HydrophobicContact CD-CE1 4.18Å; P68-Y70 PolarHBondContact O-N 3.02Å; Y70-G72 VanDerWaalsContact CE2-O 3.3Å; Y70-G72 WeakPolarHBondContact CE2-O 3.35Å; Y70-V73 HydrophobicContact CE2-CG2 4.37Å; Y70-V73 WeakPolarHBondContact OH-CG2 3.35Å; Y70-I207 HydrophobicContact CD2-CD1 3.71Å; Y70-I207 HydrophobicContact CD2-CG1 3.77Å; Y70-I207 HydrophobicContact CE2-CD1 3.74Å; Y70-I207 HydrophobicContact CE2-CG1 3.7Å; Y70-L209 HydrophobicContact CD2-CD2 4.39Å
71K94.1Very high90.5Very high31 Ų3148.1 Ų48.114%0.13523%0.227CC..EExtended strand (participates in β ladder)trans-112.9-7-173.7-73.6177.6161.6-168.70113.8L8 Q42 T43 L208L8-K71 HydrophobicContact CD1-CB 4.4Å; L8-K71 HydrophobicContact CD1-CD 3.69Å; L8-K71 HydrophobicContact CD1-CG 4.04Å; L8-K71 HydrophobicContact CD2-CB 3.91Å; L8-K71 HydrophobicContact CD2-CD 4.15Å; L8-K71 HydrophobicContact CD2-CG 4.4Å; Q42-K71 PolarHBondContact O-NZ 2.74Å; T43-K71 HydrophobicContact CG2-CB 4.46Å; T43-K71 HydrophobicContact CG2-CD 3.68Å; T43-K71 WeakPolarHBondContact OG1-CD 3.49Å; T43-K71 PolarHBondContact OG1-NZ 2.93Å; K71-L208 HydrophobicContact CB-CB 3.82Å; K71-L208 PolarHBondContact N-O 3.49Å
72G93.3Very high89.8Confident14 Ų1452 Ų5214%0.14424%0.242CC..EExtended strand (participates in β ladder)trans130.2-157.8175.600000113.8Y70 L208Y70-G72 VanDerWaalsContact CE2-O 3.3Å; Y70-G72 WeakPolarHBondContact CE2-O 3.35Å; G72-L208 PolarHBondContact O-N 2.58Å
73V93.7Very high88.9Confident20 Ų2054.3 Ų54.312%0.12125%0.253CS..EExtended strand (participates in β ladder)trans-136.9140.8178.8-174.90000109L48 Y70 L93 K205 F206L48-V73 HydrophobicContact CD1-CB 4.33Å; L48-V73 HydrophobicContact CD1-CG1 3.57Å; L48-V73 HydrophobicContact CD1-CG2 3.69Å; Y70-V73 HydrophobicContact CE2-CG2 4.37Å; Y70-V73 WeakPolarHBondContact OH-CG2 3.35Å; V73-L93 HydrophobicContact CB-CD1 3.77Å; V73-L93 HydrophobicContact CG1-CD1 3.59Å; V73-K205 HydrophobicContact CG1-CB 4.14Å; V73-F206 CarbonylContact C-O 3.49Å; V73-F206 VanDerWaalsContact CA-O 3.25Å; V73-F206 WeakPolarHBondContact CA-O 3.28Å; V73-F206 VanDerWaalsContact CG1-O 3.25Å; V73-F206 WeakPolarHBondContact CG1-O 3.31Å
74V92.8Very high87.5Confident1 Ų156.4 Ų56.41%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-125.2159.4175.5-67.50000110.7L5 F39 V76 A90 Y91 K205 F206 L208L5-V74 HydrophobicContact CD1-CG1 4.39Å; L5-V74 HydrophobicContact CD2-CG1 4.39Å; F39-V74 HydrophobicContact CE2-CG1 4.46Å; V74-V76 HydrophobicContact CG2-CG2 4.2Å; V74-A90 HydrophobicContact CB-CB 4.5Å; V74-A90 HydrophobicContact CG2-CB 4.16Å; V74-Y91 WeakPolarHBondContact CB-O 3.3Å; V74-K205 CarbonylContact O-C 3.58Å; V74-K205 WeakPolarHBondContact O-CA 3.29Å; V74-F206 HydrophobicContact CG2-CB 4Å; V74-F206 PolarHBondContact N-O 2.89Å; V74-F206 PolarHBondContact O-N 2.83Å; V74-L208 HydrophobicContact CG1-CD1 3.73Å; V74-L208 HydrophobicContact CG1-CD2 4.16Å; V74-L208 HydrophobicContact CG1-CG 4.05Å; V74-L208 HydrophobicContact CG2-CD2 3.71Å; V74-L208 HydrophobicContact CG2-CG 4.24Å
75S91.2Very high86.4Confident13 Ų1354 Ų549%0.09127%0.273CS..EExtended strand (participates in β ladder)trans-92.9134.7167.6-169.40000108.7A90 Y91 Y204S75-A90 CarbonylContact O-C 3.46Å; S75-A90 WeakPolarHBondContact O-CA 3.29Å; S75-Y91 PolarHBondContact N-O 3.32Å; S75-Y91 PolarHBondContact O-N 3.4Å; S75-Y204 CarbonylContact C-O 3.49Å; S75-Y204 WeakPolarHBondContact CA-O 3.11Å
76V89.9Confident85.3Confident0 Ų052 Ų520%027%0.266CS..EExtended strand (participates in β ladder)trans-118.7128.1179-1800000108.9L23 V74 L88 I89 A90 Q203 Y204 F206L23-V76 HydrophobicContact CD1-CB 4.48Å; L23-V76 HydrophobicContact CD1-CG1 3.75Å; L23-V76 HydrophobicContact CD1-CG2 3.82Å; V74-V76 HydrophobicContact CG2-CG2 4.2Å; V76-L88 HydrophobicContact CG1-CB 4.22Å; V76-L88 HydrophobicContact CG1-CD2 3.88Å; V76-I89 CarbonylContact C-O 3.43Å; V76-I89 VanDerWaalsContact CA-O 3.31Å; V76-I89 WeakPolarHBondContact CA-O 3.48Å; V76-A90 HydrophobicContact CG2-CB 4.16Å; V76-Q203 WeakPolarHBondContact O-CA 3.4Å; V76-Y204 PolarHBondContact N-O 3.47Å; V76-Y204 PolarHBondContact O-N 2.56Å; V76-F206 HydrophobicContact CB-CD2 3.68Å; V76-F206 HydrophobicContact CB-CE2 3.82Å; V76-F206 HydrophobicContact CB-CG 4.31Å; V76-F206 HydrophobicContact CG1-CE2 4.25Å; V76-F206 HydrophobicContact CG2-CB 3.82Å; V76-F206 HydrophobicContact CG2-CD1 4.16Å; V76-F206 HydrophobicContact CG2-CD2 3.4Å; V76-F206 VanDerWaalsContact CG2-CD2 3.4Å; V76-F206 HydrophobicContact CG2-CE2 3.96Å; V76-F206 HydrophobicContact CG2-CG 3.53Å
77S86.8Confident84.4Confident10 Ų1053.1 Ų53.17%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-114.6156.7173.151.60000113.2E79 I89 Y91 N202S77-E79 PolarHBondContact OG-OE1 3.01Å; S77-E79 VanDerWaalsContact OG-OE1 3.08Å; S77-I89 PolarHBondContact N-O 3.34Å; S77-I89 PolarHBondContact O-N 2.89Å; S77-Y91 WeakPolarHBondContact OG-CE2 3.31Å; S77-N202 WeakPolarHBondContact CA-O 3.48Å; S77-N202 WeakPolarHBondContact CB-O 3.32Å
78F82.1Confident83.9Confident24 Ų2453.5 Ų53.511%0.10528%0.276CS..EExtended strand (participates in β ladder)trans-93.7123.2173-69.4-93.3000108.5L88 L191 M194 A198 Y204F78-L88 HydrophobicContact CD1-CD2 3.65Å; F78-L88 HydrophobicContact CD2-CD2 4.31Å; F78-L88 HydrophobicContact CE1-CD2 3.24Å; F78-L88 HydrophobicContact CE1-CG 4.26Å; F78-L88 HydrophobicContact CE2-CD2 3.92Å; F78-L88 HydrophobicContact CG-CD2 4.15Å; F78-L88 HydrophobicContact CZ-CD2 3.33Å; F78-L191 HydrophobicContact CE1-CD2 4.3Å; F78-M194 HydrophobicContact CE1-CB 3.76Å; F78-M194 HydrophobicContact CE2-CB 3.85Å; F78-M194 HydrophobicContact CZ-CB 3.16Å; F78-M194 HydrophobicContact CZ-CG 3.97Å; F78-M194 HydrophobicContact CZ-SD 3.77Å; F78-A198 HydrophobicContact CB-CB 4.42Å; F78-A198 HydrophobicContact CD2-CB 4.28Å; F78-A198 HydrophobicContact CG-CB 4.31Å; F78-Y204 HydrophobicContact CD2-CD2 4.15Å; F78-Y204 AromaticContact CD2-CE2 3.89Å; F78-Y204 HydrophobicContact CD2-CE2 3.89Å; F78-Y204 AromaticContact CE2-CD2 3.58Å; F78-Y204 HydrophobicContact CE2-CD2 3.58Å; F78-Y204 AromaticContact CE2-CE2 3.43Å; F78-Y204 HydrophobicContact CE2-CE2 3.43Å; F78-Y204 VanDerWaalsContact CE2-CE2 3.43Å
79E81.3Confident83.5Confident73 Ų7354 Ų5434%0.34128%0.279SS..EExtended strand (participates in β ladder)trans-127.6146.6177.6-69.1173.8-13900108.6S77 L86 C87 I89 Y91S77-E79 PolarHBondContact OG-OE1 3.01Å; S77-E79 VanDerWaalsContact OG-OE1 3.08Å; E79-L86 WeakPolarHBondContact O-CA 3.39Å; E79-C87 PolarHBondContact N-O 3.01Å; E79-C87 PolarHBondContact O-N 2.95Å; E79-I89 HydrophobicContact CB-CG1 4.21Å; E79-I89 HydrophobicContact CG-CG1 4.3Å; E79-Y91 VanDerWaalsContact OE1-CE2 3.28Å; E79-Y91 WeakPolarHBondContact OE1-CE2 3.5Å; E79-Y91 PolarHBondContact OE1-OH 2.96Å; E79-Y91 PolarHBondContact OE2-OH 3.28Å
80E77.6Confident83.2Confident137 Ų13748.3 Ų48.364%0.6425%0.252SS*.EExtended strand (participates in β ladder)trans-92.6129.5170.8-68.8-179.9171.600107.5N85 L86E80-N85 CarbonylContact C-O 3.53Å; E80-N85 VanDerWaalsContact CA-O 3.27Å; E80-N85 WeakPolarHBondContact CA-O 3.4Å; E80-L86 HydrophobicContact CG-CD2 3.83Å
81D72.9Confident82.9Confident51 Ų5148.4 Ų48.427%0.27325%0.252SS..  trans-70.8176.417266.514.9000111.2E83 G84 N85D81-E83 PolarHBondContact O-N 3.09Å; D81-E83 VanDerWaalsContact O-N 3.16Å; D81-E83 VanDerWaalsContact OD1-C 3.31Å; D81-E83 WeakPolarHBondContact OD1-CA 3.09Å; D81-E83 WeakPolarHBondContact OD1-CB 2.78Å; D81-E83 PolarHBondContact OD1-N 3.24Å; D81-E83 VanDerWaalsContact OD1-N 3.11Å; D81-G84 PolarHBondContact O-N 2.92Å; D81-G84 PolarHBondContact OD1-N 3.29Å; D81-N85 PolarHBondContact N-O 2.92Å; D81-N85 WeakPolarHBondContact OD1-CA 3.46Å; D81-N85 PolarHBondContact OD1-N 3Å; D81-N85 PolarHBondContact OD1-ND2 2.85Å; D81-N85 VanDerWaalsContact OD2-CB 3.3Å; D81-N85 WeakPolarHBondContact OD2-CB 3.05Å; D81-N85 PolarHBondContact OD2-ND2 3.19Å
82E75.1Confident82.4Confident195 Ų19548 Ų4891%0.91125%0.252SS*.THydrogen-bonded Turntrans-63-21.1-178.3-61.4-173.5172.800112.1
83E72.3Confident81.6Confident141 Ų14150.6 Ų50.666%0.65926%0.263SS*.THydrogen-bonded Turntrans-91.8-1.9176.4-61.377.8-167.800113.7D81 N85D81-E83 PolarHBondContact O-N 3.09Å; D81-E83 VanDerWaalsContact O-N 3.16Å; D81-E83 VanDerWaalsContact OD1-C 3.31Å; D81-E83 WeakPolarHBondContact OD1-CA 3.09Å; D81-E83 WeakPolarHBondContact OD1-CB 2.78Å; D81-E83 PolarHBondContact OD1-N 3.24Å; D81-E83 VanDerWaalsContact OD1-N 3.11Å; E83-N85 WeakPolarHBondContact CB-ND2 3.47Å
84G65Low79.9Confident44 Ų4456.7 Ų56.745%0.45429%0.29SS..SBendtrans7913.4-179.900000115D81D81-G84 PolarHBondContact O-N 2.92Å; D81-G84 PolarHBondContact OD1-N 3.29Å
85N68.6Low77.7Confident94 Ų9461.2 Ų61.250%0.50332%0.321SS..  trans-81.6151.6169.5-44-70.9000110.6E80 D81 E83E80-N85 CarbonylContact C-O 3.53Å; E80-N85 VanDerWaalsContact CA-O 3.27Å; E80-N85 WeakPolarHBondContact CA-O 3.4Å; D81-N85 PolarHBondContact N-O 2.92Å; D81-N85 WeakPolarHBondContact OD1-CA 3.46Å; D81-N85 PolarHBondContact OD1-N 3Å; D81-N85 PolarHBondContact OD1-ND2 2.85Å; D81-N85 VanDerWaalsContact OD2-CB 3.3Å; D81-N85 WeakPolarHBondContact OD2-CB 3.05Å; D81-N85 PolarHBondContact OD2-ND2 3.19Å; E83-N85 WeakPolarHBondContact CB-ND2 3.47Å
86L72.6Confident75.5Confident58 Ų5869.3 Ų69.330%0.30436%0.358SS..EExtended strand (participates in β ladder)trans-84.7122.6177.8-76.3165.5000111.6E79 E80 K195E79-L86 WeakPolarHBondContact O-CA 3.39Å; E80-L86 HydrophobicContact CG-CD2 3.83Å; L86-K195 HydrophobicContact CD1-CB 3.95Å; L86-K195 HydrophobicContact CD1-CD 3.22Å; L86-K195 HydrophobicContact CD1-CG 3.51Å; L86-K195 VanDerWaalsContact CD1-NZ 3.3Å
87C79.2Confident72.9Confident25 Ų2575.1 Ų75.117%0.16940%0.399CS..EExtended strand (participates in β ladder)trans-107148.9171.6-630000110.7E79 I89E79-C87 PolarHBondContact N-O 3.01Å; E79-C87 PolarHBondContact O-N 2.95Å; C87-I89 HydrophobicContact CB-CD1 4.08Å
88L85.8Confident70.6Confident10 Ų1077.4 Ų77.45%0.05242%0.424CS..EExtended strand (participates in β ladder)trans-105.1118172.1-75.2177000108.5L23 L37 V76 F78 L191L23-L88 HydrophobicContact CB-CB 3.93Å; L23-L88 WeakPolarHBondContact CB-O 3Å; L23-L88 HydrophobicContact CD1-CB 4.13Å; L23-L88 HydrophobicContact CG-CB 4.36Å; L23-L88 PolarHBondContact N-O 2.76Å; L37-L88 HydrophobicContact CD1-CD1 3.38Å; L37-L88 HydrophobicContact CD2-CD1 4.01Å; L37-L88 HydrophobicContact CG-CD1 4.36Å; V76-L88 HydrophobicContact CG1-CB 4.22Å; V76-L88 HydrophobicContact CG1-CD2 3.88Å; F78-L88 HydrophobicContact CD1-CD2 3.65Å; F78-L88 HydrophobicContact CD2-CD2 4.31Å; F78-L88 HydrophobicContact CE1-CD2 3.24Å; F78-L88 HydrophobicContact CE1-CG 4.26Å; F78-L88 HydrophobicContact CE2-CD2 3.92Å; F78-L88 HydrophobicContact CG-CD2 4.15Å; F78-L88 HydrophobicContact CZ-CD2 3.33Å; L88-L191 HydrophobicContact CD1-CD2 3.57Å; L88-L191 HydrophobicContact CD2-CD2 4.48Å; L88-L191 HydrophobicContact CG-CD2 4.03Å
89I88.1Confident68.5Low17 Ų1783.5 Ų83.59%0.08746%0.457CS..EExtended strand (participates in β ladder)trans-115.4126.4-178.4-48.7-59.2000109.4K19 V21 M22 V76 S77 E79 C87 Y91K19-I89 WeakPolarHBondContact O-CG2 3.3Å; V21-I89 WeakPolarHBondContact O-CA 3.24Å; M22-I89 HydrophobicContact CB-CD1 3.85Å; M22-I89 HydrophobicContact CG-CD1 3.95Å; V76-I89 CarbonylContact C-O 3.43Å; V76-I89 VanDerWaalsContact CA-O 3.31Å; V76-I89 WeakPolarHBondContact CA-O 3.48Å; S77-I89 PolarHBondContact N-O 3.34Å; S77-I89 PolarHBondContact O-N 2.89Å; E79-I89 HydrophobicContact CB-CG1 4.21Å; E79-I89 HydrophobicContact CG-CG1 4.3Å; C87-I89 HydrophobicContact CB-CD1 4.08Å; I89-Y91 HydrophobicContact CB-CE2 3.69Å; I89-Y91 HydrophobicContact CG2-CD2 4.21Å; I89-Y91 HydrophobicContact CG2-CE1 4.28Å; I89-Y91 HydrophobicContact CG2-CE2 3.43Å; I89-Y91 VanDerWaalsContact CG2-CE2 3.43Å; I89-Y91 VanDerWaalsContact CG2-CZ 3.5Å
90A90.2Very high66.8Low1 Ų183.6 Ų83.61%0.00847%0.466CS..EExtended strand (participates in β ladder)trans-95.5130.6177.900000111.6G20 V21 L23 F39 V74 S75 V76G20-A90 CarbonylContact C-O 3.48Å; G20-A90 WeakPolarHBondContact CA-O 3.48Å; V21-A90 HydrophobicContact CB-CB 4.46Å; V21-A90 PolarHBondContact N-O 2.76Å; V21-A90 PolarHBondContact O-N 3.11Å; L23-A90 HydrophobicContact CD1-CB 4.19Å; L23-A90 HydrophobicContact CD2-CB 3.86Å; L23-A90 HydrophobicContact CG-CB 4.07Å; F39-A90 HydrophobicContact CD2-CB 3.94Å; F39-A90 HydrophobicContact CE2-CB 3.69Å; V74-A90 HydrophobicContact CB-CB 4.5Å; V74-A90 HydrophobicContact CG2-CB 4.16Å; S75-A90 CarbonylContact O-C 3.46Å; S75-A90 WeakPolarHBondContact O-CA 3.29Å; V76-A90 HydrophobicContact CG2-CB 4.16Å
91Y88.3Confident65.8Low58 Ų5882.9 Ų82.923%0.22746%0.463CS..EExtended strand (participates in β ladder)trans-120.4145.4-179.8-64.6-87.7000110.8V74 S75 S77 E79 I89V74-Y91 WeakPolarHBondContact CB-O 3.3Å; S75-Y91 PolarHBondContact N-O 3.32Å; S75-Y91 PolarHBondContact O-N 3.4Å; S77-Y91 WeakPolarHBondContact OG-CE2 3.31Å; E79-Y91 VanDerWaalsContact OE1-CE2 3.28Å; E79-Y91 WeakPolarHBondContact OE1-CE2 3.5Å; E79-Y91 PolarHBondContact OE1-OH 2.96Å; E79-Y91 PolarHBondContact OE2-OH 3.28Å; I89-Y91 HydrophobicContact CB-CE2 3.69Å; I89-Y91 HydrophobicContact CG2-CD2 4.21Å; I89-Y91 HydrophobicContact CG2-CE1 4.28Å; I89-Y91 HydrophobicContact CG2-CE2 3.43Å; I89-Y91 VanDerWaalsContact CG2-CE2 3.43Å; I89-Y91 VanDerWaalsContact CG2-CZ 3.5Å
92P83Confident64.7Low21 Ų2181.6 Ų81.614%0.13646%0.456CS..EExtended strand (participates in β ladder)trans-56.8142.7169.2-2233000111.4M1 L5 M9 H94M1-P92 HydrophobicContact CE-CB 4.04Å; M1-P92 HydrophobicContact CE-CG 4.1Å; L5-P92 HydrophobicContact CD2-CB 4.36Å; M9-P92 HydrophobicContact CE-CG 4.31Å; M9-P92 HydrophobicContact SD-CG 4.28Å; P92-H94 PolarHBondContact O-N 3.47Å
93L78Confident63.4Low69 Ų6980.8 Ų80.836%0.36145%0.449SS..  trans-72.3113.6169-75.5166.9000109.3V73V73-L93 HydrophobicContact CB-CD1 3.77Å; V73-L93 HydrophobicContact CG1-CD1 3.59Å
94H57.2Low61.8Low149 Ų14977.3 Ų77.369%0.6944%0.435SS*.  trans-74.6130.3165.7-63.1-69.3000108.5P92 E96P92-H94 PolarHBondContact O-N 3.47Å; H94-E96 PolarHBondContact O-N 2.94Å
95S46.7Very low60.6Low95 Ų9579.5 Ų79.566%0.66444%0.441SS*.SBendtrans-58.7132.8-175.540.10000111.9
96E44.8Very low59.3Low183 Ų18379.4 Ų79.486%0.85545%0.448SS*.SBendtrans66.475.7162.7-54.7-62.5124.900117.7H94H94-E96 PolarHBondContact O-N 2.94Å
97S35.9Very low57.8Low123 Ų12380.1 Ų80.186%0.8646%0.463SS*.SBendtrans-164.6101.5143.945.80000111.8
98G37.7Very low55.5Low58 Ų5883.3 Ų83.360%0.59848%0.478SS*.  trans102.7107.5162.500000115.5S100G98-S100 PolarHBondContact O-N 3.1Å
99D38.5Very low53Low151 Ų15188 Ų8881%0.80751%0.51SS*.  trans-66.660.2160.1-97.2-26.9000111.2E101D99-E101 PolarHBondContact O-N 2.82Å
100S45.6Very low50.3Low76 Ų7694.7 Ų94.753%0.53154%0.541SS..  trans-80.680.4163.3-68.10000107.4G98 R201G98-S100 PolarHBondContact O-N 3.1Å; S100-R201 PolarHBondContact O-NH2 2.93Å
101E55.4Low47.6Very low121 Ų121100 Ų10057%0.56557%0.566SS**  trans-51.5142.8168.1-61.3-177.9126.600109.8D99 K103 R201D99-E101 PolarHBondContact O-N 2.82Å; E101-K103 PolarHBondContact O-N 3.34Å; E101-R201 PolarHBondContact O-NH1 3.32Å; E101-R201 PolarHBondContact O-NH2 3.14Å
102N50.9Low44.7Very low24 Ų24103.2 Ų103.213%0.12859%0.594CS.*  trans-61.7103.2167.2-70.6-24.6000107.4L48 D104 R201 K205L48-N102 PolarHBondContact O-ND2 2.85Å; N102-D104 PolarHBondContact O-N 2.96Å; N102-R201 PolarHBondContact OD1-NH2 3.02Å; N102-K205 PolarHBondContact ND2-O 2.89Å; N102-K205 PolarHBondContact OD1-N 2.83Å
103K46.9Very low42.1Very low179 Ų179112.2 Ų112.278%0.77863%0.631SS**  trans-71.8102.8167.1-74-168.7176.2-175.10106.5E101 P105E101-K103 PolarHBondContact O-N 3.34Å; K103-P105 WeakPolarHBondContact O-CD 3.36Å
104D39.8Very low39.7Very low67 Ų67114.3 Ų114.336%0.35865%0.652SS.*  trans-75.6116.9174.2-17511.9000109.2N102 S106 A107N102-D104 PolarHBondContact O-N 2.96Å; D104-S106 PolarHBondContact O-N 3.21Å; D104-S106 WeakPolarHBondContact OD1-CA 3.37Å; D104-S106 WeakPolarHBondContact OD1-CB 3.26Å; D104-S106 PolarHBondContact OD1-N 3.3Å; D104-S106 PolarHBondContact OD1-OG 3.13Å; D104-S106 VanDerWaalsContact OD1-OG 3.06Å; D104-S106 PolarHBondContact OD2-OG 2.92Å; D104-A107 HydrophobicContact CB-CB 3.97Å; D104-A107 PolarHBondContact O-N 2.95Å; D104-A107 PolarHBondContact OD2-N 3.04Å
105P39.2Very low38.2Very low90 Ų90117.2 Ų117.258%0.58466%0.662SS**THydrogen-bonded Turntrans-69.8-8.2169-4.420.2000112.2K103K103-P105 WeakPolarHBondContact O-CD 3.36Å
106S42.2Very low37.1Very low92 Ų92119.7 Ų119.764%0.64367%0.665SS**THydrogen-bonded Turntrans-90.8-15.3178.1104.40000113.8D104D104-S106 PolarHBondContact O-N 3.21Å; D104-S106 WeakPolarHBondContact OD1-CA 3.37Å; D104-S106 WeakPolarHBondContact OD1-CB 3.26Å; D104-S106 PolarHBondContact OD1-N 3.3Å; D104-S106 PolarHBondContact OD1-OG 3.13Å; D104-S106 VanDerWaalsContact OD1-OG 3.06Å; D104-S106 PolarHBondContact OD2-OG 2.92Å
107A41Very low36Very low74 Ų74119.5 Ų119.561%0.61267%0.669SS**THydrogen-bonded Turntrans-98-22.3177.400000113.6D104D104-A107 HydrophobicContact CB-CB 3.97Å; D104-A107 PolarHBondContact O-N 2.95Å; D104-A107 PolarHBondContact OD2-N 3.04Å
108D29.6Very low35.4Very low91 Ų91122.1 Ų122.149%0.48767%0.665SS.*  trans-149.5122.8173.4-151.3-2.9000113.1Q110D108-Q110 PolarHBondContact O-N 2.89Å; D108-Q110 WeakPolarHBondContact OD2-CG 3.4Å; D108-Q110 PolarHBondContact OD2-NE2 2.96Å
109C33.4Very low34.5Very low109 Ų109130.8 Ų130.874%0.73668%0.68SS**  trans-76.371.9168.2-70.50000108.8
110Q32.8Very low33.8Very low157 Ų157128 Ų12873%0.73467%0.672SS**  trans-112.8110171.7-76.1-174.718.100111.3D108D108-Q110 PolarHBondContact O-N 2.89Å; D108-Q110 WeakPolarHBondContact OD2-CG 3.4Å; D108-Q110 PolarHBondContact OD2-NE2 2.96Å
111E32.5Very low32.6Very low112 Ų112132 Ų13252%0.52369%0.687SS.*  trans-69.3144.1-179.8-56.8170.8-167.700111.9K113 R143E111-K113 PolarHBondContact O-N 3.21Å; E111-R143 IonicContact OE1-CZ 3.85Å; E111-R143 IonicContact OE1-NE 3.29Å; E111-R143 IonicContact OE1-NH1 3.73Å; E111-R143 PolarHBondContact OE1-NH1 2.7Å; E111-R143 IonicContact OE1-NH2 3.74Å; E111-R143 PolarHBondContact OE1-NH2 3.13Å; E111-R143 IonicContact OE2-CZ 2.82Å; E111-R143 IonicContact OE2-NH1 2.76Å; E111-R143 PolarHBondContact OE2-NH1 3.21Å; E111-R143 IonicContact OE2-NH2 3.08Å; E111-R143 PolarHBondContact OE2-NH2 3.19Å
112P27.6Very low31Very low126 Ų126135.4 Ų135.482%0.81870%0.701SS**  trans-74.6126171.514.5-5.4000110.8S114P112-S114 PolarHBondContact O-N 3.34Å; P112-S114 VanDerWaalsContact O-N 3.15Å
113K27.8Very low29.7Very low210 Ų210143 Ų14391%0.91373%0.732SS**  trans-62.2107.3165.8-69.8175.7178.61730108.9E111 K115E111-K113 PolarHBondContact O-N 3.21Å; K113-K115 PolarHBondContact O-N 3.48Å
114S27.4Very low28.5Very low114 Ų114142.5 Ų142.580%0.79773%0.733SS**PPolyproline II helixtrans-74.7121.4175.554.40000110.9P112P112-S114 PolarHBondContact O-N 3.34Å; P112-S114 VanDerWaalsContact O-N 3.15Å
115K27.1Very low27.6Very low209 Ų209144.2 Ų144.291%0.90975%0.75SS**PPolyproline II helixtrans-88.9121.8156-77.7-175.2178.2178.90107.5K113K113-K115 PolarHBondContact O-N 3.48Å
116M22.2Very low27.2Very low148 Ų148144.9 Ų144.973%0.72975%0.754SS**PPolyproline II helixtrans-57.3130.7-179.8-69.516756.600112.2K118M116-K118 HydrophobicContact CE-CG 4.4Å
117L21.4Very low26.2Very low178 Ų178148 Ų14893%0.93276%0.763SS**  trans-124.6122.2146.7-118.379.7000108.2
118K24.4Very low25.4Very low178 Ų178151 Ų15177%0.77477%0.768SS**  trans-75.6134-175.6-71.8173.1174.5174.70110.6M116M116-K118 HydrophobicContact CE-CG 4.4Å
119W18.9Very low25Very low240 Ų240154 Ų15491%0.90978%0.779SS**  trans-132.2126.6149.7-165.4-93.3000110.1
120S23Very low24.5Very low93 Ų93155 Ų15565%0.6577%0.773SS**  trans-102.8142.7-172.848.60000110.4
121N21.6Very low24Very low160 Ų160155.5 Ų155.586%0.85677%0.773SS**  trans-154.9141.1143.6-103.7-23.4000114.7
122K22.2Very low23.6Very low193 Ų193157.2 Ų157.284%0.83978%0.781SS**  trans-72.1154.7-174.4-89.2166.4160.1170.80114.4
123K23.3Very low23.4Very low183 Ų183157.8 Ų157.880%0.79678%0.777SS**  175.3113.7111.2-91.2172-177.5-174.10110.1
124Q21.2Very low23.3Very low168 Ų168159.1 Ų159.179%0.78578%0.778SS**  66.899.3106.9-78.1-179.7-37.900114.3
125S20.6Very low23.2Very low103 Ų103158.7 Ų158.772%0.7278%0.775SS**  74.5153.278.571.30000114.1
126P30.5Very low23.2Very low105 Ų105158.6 Ų158.668%0.68277%0.774SS**  cis-148.816919.140.5-18.5000119.8
127L21.5Very low23.7Very low158 Ų158159 Ų15983%0.82778%0.779SS**  trans63.8127140.8-72.1165.3000120.3
128L24Very low23.9Very low137 Ų137162.4 Ų162.472%0.71778%0.78SS**  -163.9149.752.2-96.2151.3000113.4
129Q22.4Very low24.2Very low152 Ų152158.1 Ų158.171%0.7177%0.77SS**  trans17.7146.6147.9-70.3173.6-59.300121.4
130E21.3Very low24.8Very low132 Ų132157.1 Ų157.162%0.61777%0.766SS**  cis-171.7149.69.7-116.8173-148.700108.8
131K23Very low25.1Very low166 Ų166156.1 Ų156.172%0.72275%0.754SS**  trans51142.9150.1-65176.7175.7170.50120.2
132E23.7Very low25.5Very low149 Ų149152.6 Ų152.670%0.69674%0.742SS**  cis-165.5151.30.8-114.9176-158.400107.6
133N25Very low26.1Very low137 Ų137149.7 Ų149.773%0.73373%0.725SS**  trans47.1100.4153.3-66.1-23.4000120.8
134Y23.9Very low26.5Very low239 Ų239147.6 Ų147.694%0.93772%0.716SS**  trans-152145.6137.7-111.1-85.8000110.7
135S25.6Very low26.8Very low104 Ų104144.4 Ų144.473%0.72770%0.701SS**  trans-31.5136.7-172.1-57.40000118.6D137S135-D137 PolarHBondContact O-N 3.2Å; S135-D137 VanDerWaalsContact O-N 3.11Å
136K28.6Very low27.5Very low208 Ų208145.1 Ų145.190%0.90470%0.697SS**  trans-62.1103161.1-95.1177.3173.4170.80109.4
137D32Very low27.8Very low156 Ų156144.6 Ų144.683%0.83468%0.684SS**  trans-156.4106.4151.4-96.3-36.3000109.2S135S135-D137 PolarHBondContact O-N 3.2Å; S135-D137 VanDerWaalsContact O-N 3.11Å
138R26Very low28.5Very low249 Ų249141.6 Ų141.694%0.9467%0.668SS**  trans-145.8147.6159.8-88.9-157.6-179.2-168.81.1110.7
139P30.3Very low28.9Very low89 Ų89141.2 Ų141.258%0.57866%0.664SS**  trans-107.6154.3-134.225.3-10.1000113.4N141P139-N141 HydrophobicContact CG-CB 4.36Å; P139-N141 PolarHBondContact O-N 3.42Å
140R30.9Very low29.6Very low218 Ų218137.2 Ų137.282%0.82365%0.653SS**  trans-58.181.6154-99.6173.6162.4158.6-6.5109
141N30.6Very low30.4Very low73 Ų73134.6 Ų134.639%0.3964%0.638SS.*  trans-100.4-25.4-177.2-107.835.8000115.3P139 R143 K144 E145P139-N141 HydrophobicContact CG-CB 4.36Å; P139-N141 PolarHBondContact O-N 3.42Å; N141-R143 PolarHBondContact O-N 3.47Å; N141-K144 PolarHBondContact O-N 2.84Å; N141-E145 PolarHBondContact ND2-OE1 3.18Å; N141-E145 VanDerWaalsContact ND2-OE1 3.09Å; N141-E145 WeakPolarHBondContact O-CB 3.23Å; N141-E145 VanDerWaalsContact O-CG 3.31Å; N141-E145 WeakPolarHBondContact O-CG 3.48Å; N141-E145 PolarHBondContact O-N 3.47Å
142S29.2Very low31.2Very low85 Ų85130.3 Ų130.359%0.59462%0.623SS**Hα-helixtrans-68.9-39-173.972.70000114K144 E145 D146S142-K144 PolarHBondContact O-N 2.79Å; S142-E145 PolarHBondContact O-N 3.14Å; S142-D146 PolarHBondContact O-N 2.82Å
143R34Very low32.4Very low132 Ų132130.4 Ų130.450%0.49862%0.617SS.*Hα-helixtrans-74.6-23.1177.4-76.3-173-178.8139-2114.6E111 N141 K147E111-R143 IonicContact OE1-CZ 3.85Å; E111-R143 IonicContact OE1-NE 3.29Å; E111-R143 IonicContact OE1-NH1 3.73Å; E111-R143 PolarHBondContact OE1-NH1 2.7Å; E111-R143 IonicContact OE1-NH2 3.74Å; E111-R143 PolarHBondContact OE1-NH2 3.13Å; E111-R143 IonicContact OE2-CZ 2.82Å; E111-R143 IonicContact OE2-NH1 2.76Å; E111-R143 PolarHBondContact OE2-NH1 3.21Å; E111-R143 IonicContact OE2-NH2 3.08Å; E111-R143 PolarHBondContact OE2-NH2 3.19Å; N141-R143 PolarHBondContact O-N 3.47Å; R143-K147 PolarHBondContact O-N 3.11Å
144K32.5Very low33.5Very low139 Ų139126.1 Ų126.160%0.60459%0.594SS**Hα-helixtrans-77.7-37.9174-78.9-174.9176.3-1780110.4N141 S142 K147 I148N141-K144 PolarHBondContact O-N 2.84Å; S142-K144 PolarHBondContact O-N 2.79Å; K144-K147 PolarHBondContact O-N 3.05Å; K144-I148 HydrophobicContact CB-CD1 4.47Å; K144-I148 WeakPolarHBondContact O-CB 3.28Å; K144-I148 WeakPolarHBondContact O-CD1 3.42Å; K144-I148 WeakPolarHBondContact O-CG1 3.38Å; K144-I148 PolarHBondContact O-N 3.4Å
145E28.1Very low34.8Very low101 Ų101119 Ų11947%0.47257%0.569SS.*Hα-helixtrans-64-45.7177.6-74.1164.1-166.200111.6N141 S142 K147 I148 M149N141-E145 PolarHBondContact ND2-OE1 3.18Å; N141-E145 VanDerWaalsContact ND2-OE1 3.09Å; N141-E145 WeakPolarHBondContact O-CB 3.23Å; N141-E145 VanDerWaalsContact O-CG 3.31Å; N141-E145 WeakPolarHBondContact O-CG 3.48Å; N141-E145 PolarHBondContact O-N 3.47Å; S142-E145 PolarHBondContact O-N 3.14Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 3.24Å; E145-I148 PolarHBondContact O-N 3.15Å; E145-M149 WeakPolarHBondContact O-CB 3.27Å; E145-M149 WeakPolarHBondContact O-CG 3.49Å; E145-M149 PolarHBondContact O-N 2.76Å
146D33.8Very low35.9Very low119 Ų119117.8 Ų117.864%0.63656%0.558SS**Hα-helixtrans-61.8-38.3175.7-74.5-30000113.1S142 S150S142-D146 PolarHBondContact O-N 2.82Å; D146-S150 PolarHBondContact O-N 2.75Å; D146-S150 VanDerWaalsContact O-N 3.12Å
147K38.4Very low37.1Very low93 Ų93109.4 Ų109.440%0.40452%0.522SS..Hα-helixtrans-71.6-44.8176.8-79.1-168.8173.1-159.60112.2R143 K144 E145 M149 S150 Y151 E238R143-K147 PolarHBondContact O-N 3.11Å; K144-K147 PolarHBondContact O-N 3.05Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 3.24Å; K147-M149 VanDerWaalsContact C-N 3.25Å; K147-M149 PolarHBondContact O-N 2.81Å; K147-S150 WeakPolarHBondContact O-CB 3.23Å; K147-S150 PolarHBondContact O-N 3.07Å; K147-S150 VanDerWaalsContact O-N 3.1Å; K147-Y151 WeakPolarHBondContact O-CD2 3.5Å; K147-Y151 PolarHBondContact O-N 2.88Å; K147-Y151 VanDerWaalsContact O-N 3.1Å; K147-E238 IonicContact NZ-OE1 2.62Å; K147-E238 IonicContact NZ-OE2 2.75Å; K147-E238 PolarHBondContact NZ-OE2 3.43Å
148I36.2Very low38.1Very low96 Ų96103.9 Ų103.949%0.49249%0.491SS..Hα-helixtrans-60.5-38.2175.6-69.8164.9000110.3K144 E145 S150 Y151 N152K144-I148 HydrophobicContact CB-CD1 4.47Å; K144-I148 WeakPolarHBondContact O-CB 3.28Å; K144-I148 WeakPolarHBondContact O-CD1 3.42Å; K144-I148 WeakPolarHBondContact O-CG1 3.38Å; K144-I148 PolarHBondContact O-N 3.4Å; E145-I148 PolarHBondContact O-N 3.15Å; I148-S150 PolarHBondContact O-N 2.86Å; I148-Y151 PolarHBondContact O-N 3.26Å; I148-N152 WeakPolarHBondContact O-CB 3.38Å; I148-N152 PolarHBondContact O-N 3.14Å; I148-N152 PolarHBondContact O-ND2 3.34Å
149M30.8Very low39Very low128 Ų12899.3 Ų99.363%0.63148%0.48SS*.Hα-helixtrans-66.2-34174.5-72.4-68-87.900113.1E145 K147 R153E145-M149 WeakPolarHBondContact O-CB 3.27Å; E145-M149 WeakPolarHBondContact O-CG 3.49Å; E145-M149 PolarHBondContact O-N 2.76Å; K147-M149 VanDerWaalsContact C-N 3.25Å; K147-M149 PolarHBondContact O-N 2.81Å; M149-R153 WeakPolarHBondContact O-CB 3.26Å; M149-R153 PolarHBondContact O-N 2.86Å
150S38.5Very low40Very low69 Ų69102.2 Ų102.248%0.48349%0.486SS..Hα-helixtrans-66-42.1172.3-177.40000112.4D146 K147 I148 R153 D154D146-S150 PolarHBondContact O-N 2.75Å; D146-S150 VanDerWaalsContact O-N 3.12Å; K147-S150 WeakPolarHBondContact O-CB 3.23Å; K147-S150 PolarHBondContact O-N 3.07Å; K147-S150 VanDerWaalsContact O-N 3.1Å; I148-S150 PolarHBondContact O-N 2.86Å; S150-R153 PolarHBondContact O-N 2.76Å; S150-D154 PolarHBondContact O-N 3.26Å; S150-D154 VanDerWaalsContact O-N 3.13Å
151Y37.6Very low41.2Very low76 Ų7692.5 Ų92.530%0.29845%0.452SS..Hα-helixtrans-64.6-47.6176-73.1-71.6000111K147 I148 R153 D154 E155 E238 N242K147-Y151 WeakPolarHBondContact O-CD2 3.5Å; K147-Y151 PolarHBondContact O-N 2.88Å; K147-Y151 VanDerWaalsContact O-N 3.1Å; I148-Y151 PolarHBondContact O-N 3.26Å; Y151-R153 VanDerWaalsContact C-N 3.3Å; Y151-R153 PolarHBondContact O-N 3.42Å; Y151-D154 PolarHBondContact O-N 3.25Å; Y151-E155 WeakPolarHBondContact O-CG 3.23Å; Y151-E155 PolarHBondContact O-N 2.9Å; Y151-E238 PolarHBondContact OH-OE1 3.45Å; Y151-N242 PolarHBondContact OH-ND2 3.13Å
152N38.8Very low42.7Very low76 Ų7695.9 Ų95.941%0.40647%0.466SS..Hα-helixtrans-61.2-37175.2-75.7-26.6000112.3I148 E155 V156I148-N152 WeakPolarHBondContact O-CB 3.38Å; I148-N152 PolarHBondContact O-N 3.14Å; I148-N152 PolarHBondContact O-ND2 3.34Å; N152-E155 PolarHBondContact O-N 3.21Å; N152-V156 VanDerWaalsContact O-CB 3.32Å; N152-V156 WeakPolarHBondContact O-CB 3.41Å; N152-V156 WeakPolarHBondContact O-CG2 3.48Å; N152-V156 PolarHBondContact O-N 2.55Å
153R48.8Very low44.8Very low152 Ų15293.9 Ų93.957%0.57445%0.45SS*.Hα-helixtrans-67.3-42178.9-179.3179.3-76.4-138-1.6112.5M149 S150 Y151 Q157M149-R153 WeakPolarHBondContact O-CB 3.26Å; M149-R153 PolarHBondContact O-N 2.86Å; S150-R153 PolarHBondContact O-N 2.76Å; Y151-R153 VanDerWaalsContact C-N 3.3Å; Y151-R153 PolarHBondContact O-N 3.42Å; R153-Q157 WeakPolarHBondContact O-CB 3.44Å; R153-Q157 VanDerWaalsContact O-CG 3.27Å; R153-Q157 WeakPolarHBondContact O-CG 3.29Å; R153-Q157 PolarHBondContact O-N 3.08Å
154D48.4Very low46.7Very low47 Ų4791 Ų9125%0.25144%0.444SS..Hα-helixtrans-67.7-37.9176.5-102.7-13.3000111S150 Y151 Q158 Y278S150-D154 PolarHBondContact O-N 3.26Å; S150-D154 VanDerWaalsContact O-N 3.13Å; Y151-D154 PolarHBondContact O-N 3.25Å; D154-Q158 WeakPolarHBondContact O-CB 3.38Å; D154-Q158 PolarHBondContact O-N 3.07Å; D154-Y278 PolarHBondContact OD1-OH 2.87Å
155E50.8Low48.5Very low89 Ų8990.5 Ų90.542%0.41644%0.439SS..Hα-helixtrans-69.2-42.7176.8-71.9-178.7-178.500112.7Y151 N152 Q158 Q159 R245Y151-E155 WeakPolarHBondContact O-CG 3.23Å; Y151-E155 PolarHBondContact O-N 2.9Å; N152-E155 PolarHBondContact O-N 3.21Å; E155-Q158 WeakPolarHBondContact O-CB 3.14Å; E155-Q158 PolarHBondContact O-N 3.21Å; E155-Q159 PolarHBondContact O-N 3.16Å; E155-R245 IonicContact OE1-NH1 3.4Å
156V50.3Low50.5Low79 Ų7990 Ų9048%0.47944%0.436SS..Hα-helixtrans-64.1-41.7174.9171.10000111.1N152 Q158 Q159 Q160N152-V156 VanDerWaalsContact O-CB 3.32Å; N152-V156 WeakPolarHBondContact O-CB 3.41Å; N152-V156 WeakPolarHBondContact O-CG2 3.48Å; N152-V156 PolarHBondContact O-N 2.55Å; V156-Q158 VanDerWaalsContact C-N 3.27Å; V156-Q158 PolarHBondContact O-N 2.87Å; V156-Q159 PolarHBondContact O-N 3.06Å; V156-Q159 VanDerWaalsContact O-N 3.14Å; V156-Q160 PolarHBondContact O-N 2.84Å
157Q53.2Low52.1Low32 Ų3287.8 Ų87.815%0.1543%0.43CS..Hα-helixtrans-68.6-27.7175.3-75.2173.619.400112.5R153 Q159 Y278R153-Q157 WeakPolarHBondContact O-CB 3.44Å; R153-Q157 VanDerWaalsContact O-CG 3.27Å; R153-Q157 WeakPolarHBondContact O-CG 3.29Å; R153-Q157 PolarHBondContact O-N 3.08Å; Q157-Q159 VanDerWaalsContact C-N 3.27Å; Q157-Q159 PolarHBondContact O-N 3.08Å; Q157-Y278 HydrophobicContact CB-CE1 4.2Å; Q157-Y278 HydrophobicContact CB-CE2 4.39Å; Q157-Y278 PolarHBondContact OE1-OH 3.44Å
158Q51.9Low53Low39 Ų3984.4 Ų84.418%0.18242%0.416CS..Hα-helixtrans-67.6-29.4172.9-148.7160.54.200111.1D154 E155 V156 Y278 K282D154-Q158 WeakPolarHBondContact O-CB 3.38Å; D154-Q158 PolarHBondContact O-N 3.07Å; E155-Q158 WeakPolarHBondContact O-CB 3.14Å; E155-Q158 PolarHBondContact O-N 3.21Å; V156-Q158 VanDerWaalsContact C-N 3.27Å; V156-Q158 PolarHBondContact O-N 2.87Å; Q158-Y278 HydrophobicContact CB-CD1 4.28Å; Q158-Y278 HydrophobicContact CG-CD1 4.32Å; Q158-K282 WeakPolarHBondContact O-CE 3.4Å; Q158-K282 PolarHBondContact O-NZ 2.92Å
159Q46.9Very low53.9Low154 Ų15486.8 Ų86.872%0.7243%0.425SS*.Hα-helixtrans-73-36.8177.3-68.2174.1700112.7E155 V156 Q157 A161 K282E155-Q159 PolarHBondContact O-N 3.16Å; V156-Q159 PolarHBondContact O-N 3.06Å; V156-Q159 VanDerWaalsContact O-N 3.14Å; Q157-Q159 VanDerWaalsContact C-N 3.27Å; Q157-Q159 PolarHBondContact O-N 3.08Å; Q159-A161 VanDerWaalsContact C-N 3.31Å; Q159-A161 PolarHBondContact O-N 3.39Å; Q159-K282 PolarHBondContact O-NZ 3.15Å
160Q49.9Very low54.3Low149 Ų14991.5 Ų91.570%0.69644%0.442SS*.THydrogen-bonded Turntrans-86.333-179.7-68.4179.2-1700115.2V156 E162V156-Q160 PolarHBondContact O-N 2.84Å; Q160-E162 VanDerWaalsContact C-N 3.33Å; Q160-E162 PolarHBondContact O-N 3.36Å
161A55.8Low54.9Low15 Ų1590.1 Ų90.112%0.12444%0.439CS..  trans-77.679.5-177.500000111.7Q159 H279 K282Q159-A161 VanDerWaalsContact C-N 3.31Å; Q159-A161 PolarHBondContact O-N 3.39Å; A161-H279 HydrophobicContact CB-CB 4.23Å; A161-K282 HydrophobicContact CB-CD 4.25Å
162E62.3Low55.1Low144 Ų14492.3 Ų92.367%0.67346%0.455SS*.  trans-95.2147.2173.6-69.5-178.4172.300111.8Q160Q160-E162 VanDerWaalsContact C-N 3.33Å; Q160-E162 PolarHBondContact O-N 3.36Å
163V74Confident55.4Low43 Ų4389.6 Ų89.626%0.26144%0.442SS..  trans-77129.5168.8179.70000107.8Y165 M273 M275V163-Y165 HydrophobicContact CB-CE2 4.47Å; V163-Y165 HydrophobicContact CG1-CD2 4.49Å; V163-Y165 HydrophobicContact CG1-CE2 3.85Å; V163-M273 HydrophobicContact CG1-CG 3.65Å; V163-M273 HydrophobicContact CG1-SD 4.18Å; V163-M275 HydrophobicContact CG1-CG 4.18Å; V163-M275 HydrophobicContact CG2-CE 4.07Å; V163-M275 HydrophobicContact CG2-CG 4.12Å
164L73.3Confident55.1Low72 Ų7287.1 Ų87.138%0.37744%0.443SS..EExtended strand (participates in β ladder)trans-105138.6-176.9-59.5176.6000110.4P181 M273 F274L164-P181 HydrophobicContact CD1-CB 4.32Å; L164-P181 HydrophobicContact CD1-CG 4.07Å; L164-M273 WeakPolarHBondContact O-CA 3.19Å; L164-F274 HydrophobicContact CB-CB 4.4Å; L164-F274 PolarHBondContact N-O 3.29Å; L164-F274 PolarHBondContact O-N 2.87Å
165Y70.6Confident54.7Low127 Ų12789 Ų8950%0.49846%0.46SS..EExtended strand (participates in β ladder)trans-116.5134.8174-67.1-94.4000109.5V163 I272 M273V163-Y165 HydrophobicContact CB-CE2 4.47Å; V163-Y165 HydrophobicContact CG1-CD2 4.49Å; V163-Y165 HydrophobicContact CG1-CE2 3.85Å; Y165-I272 WeakPolarHBondContact CA-O 3.2Å; Y165-M273 HydrophobicContact CD1-CB 4.17Å; Y165-M273 HydrophobicContact CD1-CG 4.35Å; Y165-M273 HydrophobicContact CE1-CB 3.94Å; Y165-M273 HydrophobicContact CE1-CG 3.81Å; Y165-M273 HydrophobicContact CE1-SD 4.14Å
166F69.3Low54.5Low91 Ų9187.5 Ų87.540%0.39945%0.453SS..EExtended strand (participates in β ladder)trans-125.8120.7177.9-167.9-91.1000110.5Q271 I272 F274F166-Q271 CarbonylContact O-C 3.58Å; F166-Q271 WeakPolarHBondContact O-CA 3.46Å; F166-Q271 WeakPolarHBondContact O-CB 3.4Å; F166-I272 PolarHBondContact N-O 3.44Å; F166-I272 PolarHBondContact O-N 3.31Å; F166-F274 HydrophobicContact CB-CE2 4.05Å
167S67.9Low54.6Low73 Ų7384.6 Ų84.651%0.5144%0.435SS..EExtended strand (participates in β ladder)trans-77.7134.6179.7-57.30000112.6Q271S167-Q271 PolarHBondContact OG-NE2 3.02Å
168L58.7Low54.6Low21 Ų2190.6 Ų90.611%0.1146%0.46CS..PPolyproline II helixtrans-93.5131163.3-69.894000109.6V173 I177 Y265 G270 I272L168-V173 HydrophobicContact CD2-CB 4.19Å; L168-V173 HydrophobicContact CD2-CG1 3.53Å; L168-V173 HydrophobicContact CD2-CG2 4.26Å; L168-I177 HydrophobicContact CD2-CG1 4.41Å; L168-Y265 HydrophobicContact CD1-CD2 4.42Å; L168-Y265 HydrophobicContact CD1-CE2 4.23Å; L168-G270 WeakPolarHBondContact CB-O 3.32Å; L168-G270 VanDerWaalsContact CD1-O 3.26Å; L168-G270 WeakPolarHBondContact CD1-O 3.34Å; L168-G270 PolarHBondContact N-O 2.92Å; L168-I272 HydrophobicContact CD1-CD1 3.77Å; L168-I272 HydrophobicContact CD1-CG1 3.65Å
169E53.1Low54.9Low146 Ų14691.5 Ų91.568%0.68246%0.464SS*.PPolyproline II helixtrans-74.4151.7171-67-177.4171.300109.5G171E169-G171 VanDerWaalsContact C-N 3.33Å; E169-G171 PolarHBondContact O-N 3.4Å
170K40.8Very low55.7Low228 Ų22884.6 Ų84.699%0.99143%0.432SS*.SBendtrans-68.288.6179.5-70.6-178.7179.2176.40110.1
171G49.6Very low56.4Low40 Ų4080.5 Ų80.541%0.41242%0.418SS..SBendtrans172.7169.3-177.300000110.7E169 V173E169-G171 VanDerWaalsContact C-N 3.33Å; E169-G171 PolarHBondContact O-N 3.4Å; G171-V173 PolarHBondContact O-N 3.02Å
172N42.3Very low56.7Low121 Ų12181.2 Ų81.265%0.64742%0.418SS*.  trans-33.994-166.8-152.410.3000115.3V174 S175N172-V174 VanDerWaalsContact C-N 3.27Å; N172-V174 PolarHBondContact O-N 3.06Å; N172-S175 PolarHBondContact ND2-OG 3.49Å; N172-S175 PolarHBondContact O-N 2.93Å; N172-S175 VanDerWaalsContact O-N 3.17Å
173V45.8Very low56.8Low20 Ų2074.5 Ų74.512%0.12139%0.387CS..G310 helixtrans-58.2-35-168.7167.30000113.1L168 G171 S175 Q176 V218L168-V173 HydrophobicContact CD2-CB 4.19Å; L168-V173 HydrophobicContact CD2-CG1 3.53Å; L168-V173 HydrophobicContact CD2-CG2 4.26Å; G171-V173 PolarHBondContact O-N 3.02Å; V173-S175 VanDerWaalsContact C-N 3.33Å; V173-S175 PolarHBondContact O-N 3.41Å; V173-Q176 PolarHBondContact O-N 3.44Å; V173-V218 HydrophobicContact CG1-CG2 3.55Å
174V41.9Very low56.5Low99 Ų9975.2 Ų75.260%0.639%0.389SS*.G310 helixtrans-67.4-32.7-177-177.50000112N172 Q176N172-V174 VanDerWaalsContact C-N 3.27Å; N172-V174 PolarHBondContact O-N 3.06Å; V174-Q176 VanDerWaalsContact C-N 3.35Å
175S40Very low56.3Low88 Ų8875.1 Ų75.162%0.61539%0.385SS*.G310 helixtrans-83.5-9.2-176.5-470000113.6N172 V173N172-S175 PolarHBondContact ND2-OG 3.49Å; N172-S175 PolarHBondContact O-N 2.93Å; N172-S175 VanDerWaalsContact O-N 3.17Å; V173-S175 VanDerWaalsContact C-N 3.33Å; V173-S175 PolarHBondContact O-N 3.41Å
176Q47.4Very low56.1Low57 Ų5769.5 Ų69.527%0.26637%0.365SS..THydrogen-bonded Turntrans-111.9-6.1-169.7-66-168.3-9.300115.2V173 V174 K178V173-Q176 PolarHBondContact O-N 3.44Å; V174-Q176 VanDerWaalsContact C-N 3.35Å; Q176-K178 PolarHBondContact O-N 3.4Å
177I52.1Low56Low18 Ų1866 Ų669%0.09235%0.35CS..  trans-71.878.4171.3-58.7173.1000108.1V27 L168 H179 I272V27-I177 HydrophobicContact CB-CG2 4.48Å; V27-I177 HydrophobicContact CG2-CG2 4.03Å; L168-I177 HydrophobicContact CD2-CG1 4.41Å; I177-H179 PolarHBondContact O-N 3.05Å; I177-I272 HydrophobicContact CD1-CD1 4.16Å; I177-I272 HydrophobicContact CG1-CD1 4.1Å
178K53.5Low56.1Low158 Ų15868 Ų6869%0.68735%0.351SS*.  trans-77.241-177.5-72.9-176.1175.7177.80112.6Q176Q176-K178 PolarHBondContact O-N 3.4Å
179H57Low56.7Low58 Ų5870.6 Ų70.627%0.26936%0.363SS..  trans84.7138176.8-41.3-74.2000117V27 I177 L184V27-H179 VanDerWaalsContact CG1-CE1 3.49Å; V27-H179 WeakPolarHBondContact CG1-CE1 3.38Å; V27-H179 WeakPolarHBondContact CG1-ND1 3.42Å; I177-H179 PolarHBondContact O-N 3.05Å; H179-L184 HydrophobicContact CB-CB 4.04Å
180N64.1Low57.4Low9 Ų965.1 Ų65.15%0.04834%0.337CS..  trans-56.9124.7155.4175.8-12.5000109Q29 W182 S183 L184 F274Q29-N180 PolarHBondContact O-ND2 2.83Å; N180-W182 PolarHBondContact O-N 3.24Å; N180-W182 VanDerWaalsContact O-N 3.1Å; N180-W182 WeakPolarHBondContact OD1-CB 3.47Å; N180-W182 PolarHBondContact OD1-N 3.01Å; N180-S183 WeakPolarHBondContact O-CA 3.46Å; N180-S183 WeakPolarHBondContact O-CB 3.3Å; N180-S183 PolarHBondContact O-N 2.86Å; N180-L184 PolarHBondContact O-N 3.43Å; N180-F274 HydrophobicContact CB-CD1 4.11Å; N180-F274 HydrophobicContact CB-CE1 3.68Å; N180-F274 HydrophobicContact CB-CZ 4.39Å
181P65.9Low58.8Low62 Ų6256.2 Ų56.240%0.40330%0.3SS..Hα-helixtrans-54.5-33.3-179.3-27.234.8000113.5L164 K185L164-P181 HydrophobicContact CD1-CB 4.32Å; L164-P181 HydrophobicContact CD1-CG 4.07Å; P181-K185 WeakPolarHBondContact O-CB 3.5Å; P181-K185 PolarHBondContact O-N 3.13Å; P181-K185 VanDerWaalsContact O-N 3.11Å
182W61.4Low59.9Low30 Ų3059 Ų5911%0.11430%0.302CS..Hα-helixtrans-68.5-45.8175.2-176.9-98.5000112N180 L184 K185 C186 K277 Y278N180-W182 PolarHBondContact O-N 3.24Å; N180-W182 VanDerWaalsContact O-N 3.1Å; N180-W182 WeakPolarHBondContact OD1-CB 3.47Å; N180-W182 PolarHBondContact OD1-N 3.01Å; W182-L184 VanDerWaalsContact C-N 3.33Å; W182-L184 PolarHBondContact O-N 3.21Å; W182-K185 HydrophobicContact CZ3-CD 4.44Å; W182-K185 PolarHBondContact O-N 2.97Å; W182-C186 VanDerWaalsContact CE2-SG 3.59Å; W182-C186 PolarHBondContact NE1-SG 3.19Å; W182-C186 VanDerWaalsContact NE1-SG 3.43Å; W182-C186 PolarHBondContact O-N 3.21Å; W182-K277 HydrophobicContact CZ2-CD 4.25Å; W182-K277 VanDerWaalsContact CZ2-CE 3.41Å; W182-Y278 HydrophobicContact CE3-CE2 4.33Å; W182-Y278 AromaticContact CH2-CE2 3.47Å; W182-Y278 HydrophobicContact CH2-CE2 3.47Å; W182-Y278 VanDerWaalsContact CH2-CE2 3.47Å; W182-Y278 HydrophobicContact CZ2-CE2 4.27Å; W182-Y278 HydrophobicContact CZ3-CD2 4.33Å; W182-Y278 AromaticContact CZ3-CE2 3.5Å; W182-Y278 HydrophobicContact CZ3-CE2 3.5Å; W182-Y278 VanDerWaalsContact CZ3-CE2 3.5Å
183S64.8Low61.4Low3 Ų360.4 Ų60.42%0.02130%0.298CS..Hα-helixtrans-59.2-45.9176.2-178.80000111F26 N180 K185 C186 H187F26-S183 PolarHBondContact O-OG 3.03Å; N180-S183 WeakPolarHBondContact O-CA 3.46Å; N180-S183 WeakPolarHBondContact O-CB 3.3Å; N180-S183 PolarHBondContact O-N 2.86Å; S183-K185 PolarHBondContact O-N 3.23Å; S183-C186 PolarHBondContact O-N 3.02Å; S183-H187 VanDerWaalsContact O-CB 3.29Å; S183-H187 WeakPolarHBondContact O-CB 3.24Å; S183-H187 PolarHBondContact O-N 3.47Å
184L67.7Low62.5Low58 Ų5860.5 Ų60.530%0.30430%0.298SS..Hα-helixtrans-60.3-44.7178.9-174.363.2000111.8H179 N180 W182 H187 Q188H179-L184 HydrophobicContact CB-CB 4.04Å; N180-L184 PolarHBondContact O-N 3.43Å; W182-L184 VanDerWaalsContact C-N 3.33Å; W182-L184 PolarHBondContact O-N 3.21Å; L184-H187 PolarHBondContact O-N 2.97Å; L184-Q188 WeakPolarHBondContact O-CB 3.42Å; L184-Q188 VanDerWaalsContact O-CG 3.31Å; L184-Q188 WeakPolarHBondContact O-CG 3.26Å; L184-Q188 PolarHBondContact O-N 3.27Å
185K68.9Low63.9Low70 Ų7060 Ų6030%0.30429%0.287SS..Hα-helixtrans-63.2-42.7176.7-175.1179.6-179.9-177.40112.1P181 W182 S183 Q189P181-K185 WeakPolarHBondContact O-CB 3.5Å; P181-K185 PolarHBondContact O-N 3.13Å; P181-K185 VanDerWaalsContact O-N 3.11Å; W182-K185 HydrophobicContact CZ3-CD 4.44Å; W182-K185 PolarHBondContact O-N 2.97Å; S183-K185 PolarHBondContact O-N 3.23Å; K185-Q189 WeakPolarHBondContact O-CB 3.31Å; K185-Q189 VanDerWaalsContact O-CG 3.31Å; K185-Q189 WeakPolarHBondContact O-CG 3.49Å; K185-Q189 PolarHBondContact O-N 3.25Å
186C65.3Low65.4Low9 Ų960.9 Ų60.96%0.06128%0.282CS..Hα-helixtrans-62.2-45.7175.3-80.70000111.5W182 S183 Q189 Q190W182-C186 VanDerWaalsContact CE2-SG 3.59Å; W182-C186 PolarHBondContact NE1-SG 3.19Å; W182-C186 VanDerWaalsContact NE1-SG 3.43Å; W182-C186 PolarHBondContact O-N 3.21Å; S183-C186 PolarHBondContact O-N 3.02Å; C186-Q189 PolarHBondContact O-N 3.39Å; C186-Q190 WeakPolarHBondContact O-CB 3.27Å; C186-Q190 PolarHBondContact O-N 2.99Å
187H68Low66.4Low18 Ų1861.3 Ų61.38%0.08329%0.286CS..Hα-helixtrans-59.1-50.4177.5-177.682.2000111.4P25 C35 L37 S183 L184 Q189 Q190 L191P25-H187 WeakPolarHBondContact CG-NE2 3.27Å; C35-H187 PolarHBondContact SG-ND1 2.99Å; L37-H187 WeakPolarHBondContact CD2-CE1 3.34Å; S183-H187 VanDerWaalsContact O-CB 3.29Å; S183-H187 WeakPolarHBondContact O-CB 3.24Å; S183-H187 PolarHBondContact O-N 3.47Å; L184-H187 PolarHBondContact O-N 2.97Å; H187-Q189 PolarHBondContact O-N 3.25Å; H187-Q190 PolarHBondContact O-N 3.48Å; H187-L191 WeakPolarHBondContact NE2-CD1 3.45Å; H187-L191 WeakPolarHBondContact O-CB 3.42Å; H187-L191 WeakPolarHBondContact O-CG 3.42Å; H187-L191 PolarHBondContact O-N 3.45Å
188Q70Confident67.1Low115 Ų11561.7 Ų61.754%0.53729%0.292SS..Hα-helixtrans-59.5-45.7177.4-74.3174.3-8.400112.7L184 Q190 L191 Q192L184-Q188 WeakPolarHBondContact O-CB 3.42Å; L184-Q188 VanDerWaalsContact O-CG 3.31Å; L184-Q188 WeakPolarHBondContact O-CG 3.26Å; L184-Q188 PolarHBondContact O-N 3.27Å; Q188-Q190 VanDerWaalsContact C-N 3.3Å; Q188-Q190 PolarHBondContact O-N 3.23Å; Q188-L191 PolarHBondContact O-N 2.82Å; Q188-Q192 VanDerWaalsContact O-CB 3.3Å; Q188-Q192 WeakPolarHBondContact O-CB 3.27Å; Q188-Q192 PolarHBondContact O-N 3.22Å
189Q70.1Confident67.5Low76 Ų7662.7 Ų62.736%0.35530%0.296SS..Hα-helixtrans-62.6-39.5178.6-75.6177.218.300112.1K185 C186 H187 R193K185-Q189 WeakPolarHBondContact O-CB 3.31Å; K185-Q189 VanDerWaalsContact O-CG 3.31Å; K185-Q189 WeakPolarHBondContact O-CG 3.49Å; K185-Q189 PolarHBondContact O-N 3.25Å; C186-Q189 PolarHBondContact O-N 3.39Å; H187-Q189 PolarHBondContact O-N 3.25Å; Q189-R193 VanDerWaalsContact O-CG 3.31Å; Q189-R193 WeakPolarHBondContact O-CG 3.25Å; Q189-R193 PolarHBondContact O-N 3.02Å
190Q68.7Low67.7Low30 Ų3068.1 Ų68.114%0.1432%0.321CS..Hα-helixtrans-73.6-43.3-179.7-176.9152.4-12.600112.1C35 P47 C186 H187 Q188 Q192 R193 M194C35-Q190 HydrophobicContact CB-CB 3.97Å; C35-Q190 HydrophobicContact CB-CG 3.84Å; C35-Q190 VanDerWaalsContact CB-OE1 3.24Å; P47-Q190 VanDerWaalsContact CG-NE2 3.31Å; C186-Q190 WeakPolarHBondContact O-CB 3.27Å; C186-Q190 PolarHBondContact O-N 2.99Å; H187-Q190 PolarHBondContact O-N 3.48Å; Q188-Q190 VanDerWaalsContact C-N 3.3Å; Q188-Q190 PolarHBondContact O-N 3.23Å; Q190-Q192 VanDerWaalsContact C-N 3.26Å; Q190-Q192 PolarHBondContact O-N 2.86Å; Q190-R193 PolarHBondContact O-N 3.41Å; Q190-M194 HydrophobicContact CG-CE 3.98Å; Q190-M194 HydrophobicContact CG-CG 4.3Å; Q190-M194 HydrophobicContact CG-SD 3.8Å; Q190-M194 WeakPolarHBondContact O-CB 3.32Å; Q190-M194 VanDerWaalsContact O-CG 3.27Å; Q190-M194 WeakPolarHBondContact O-CG 3.19Å; Q190-M194 PolarHBondContact O-N 2.88Å
191L71Confident67.9Low42 Ų4270.7 Ų70.722%0.2233%0.33CS..Hα-helixtrans-56-43.7171.6-77.2-175.6000111.3F78 L88 H187 Q188 M194 K195F78-L191 HydrophobicContact CE1-CD2 4.3Å; L88-L191 HydrophobicContact CD1-CD2 3.57Å; L88-L191 HydrophobicContact CD2-CD2 4.48Å; L88-L191 HydrophobicContact CG-CD2 4.03Å; H187-L191 WeakPolarHBondContact NE2-CD1 3.45Å; H187-L191 WeakPolarHBondContact O-CB 3.42Å; H187-L191 WeakPolarHBondContact O-CG 3.42Å; H187-L191 PolarHBondContact O-N 3.45Å; Q188-L191 PolarHBondContact O-N 2.82Å; L191-M194 PolarHBondContact O-N 3.36Å; L191-K195 VanDerWaalsContact O-CB 3.28Å; L191-K195 WeakPolarHBondContact O-CB 3.13Å; L191-K195 PolarHBondContact O-N 2.87Å
192Q72.4Confident68.2Low97 Ų9772.3 Ų72.345%0.45334%0.336SS..Hα-helixtrans-62-47178-175.660.528.100111.9Q188 Q190 M194 K195 E196Q188-Q192 VanDerWaalsContact O-CB 3.3Å; Q188-Q192 WeakPolarHBondContact O-CB 3.27Å; Q188-Q192 PolarHBondContact O-N 3.22Å; Q190-Q192 VanDerWaalsContact C-N 3.26Å; Q190-Q192 PolarHBondContact O-N 2.86Å; Q192-M194 VanDerWaalsContact C-N 3.32Å; Q192-M194 PolarHBondContact O-N 2.97Å; Q192-K195 WeakPolarHBondContact O-CB 3.37Å; Q192-K195 PolarHBondContact O-N 3.44Å; Q192-E196 PolarHBondContact NE2-OE1 3.49Å; Q192-E196 WeakPolarHBondContact O-CG 3.33Å; Q192-E196 PolarHBondContact O-N 3.06Å
193R72.8Confident69.1Low151 Ų15176.1 Ų76.157%0.5736%0.355SS*.Hα-helixtrans-61.5-41.1175.7-73.5173.5-176.7-168.70.4112Q189 Q190 N197Q189-R193 VanDerWaalsContact O-CG 3.31Å; Q189-R193 WeakPolarHBondContact O-CG 3.25Å; Q189-R193 PolarHBondContact O-N 3.02Å; Q190-R193 PolarHBondContact O-N 3.41Å; R193-N197 PolarHBondContact O-N 3.37Å; R193-N197 VanDerWaalsContact O-N 3.17Å; R193-N197 PolarHBondContact O-ND2 3.43Å
194M68.9Low70.2Confident22 Ų2277.2 Ų77.211%0.10836%0.359CS..Hα-helixtrans-71.8-37.5179.5-67.5172.3155.900111.4P47 F78 Q190 L191 Q192 E196 N197 A198 F206P47-M194 HydrophobicContact CB-CE 4.48Å; P47-M194 HydrophobicContact CG-CE 3.82Å; F78-M194 HydrophobicContact CE1-CB 3.76Å; F78-M194 HydrophobicContact CE2-CB 3.85Å; F78-M194 HydrophobicContact CZ-CB 3.16Å; F78-M194 HydrophobicContact CZ-CG 3.97Å; F78-M194 HydrophobicContact CZ-SD 3.77Å; Q190-M194 HydrophobicContact CG-CE 3.98Å; Q190-M194 HydrophobicContact CG-CG 4.3Å; Q190-M194 HydrophobicContact CG-SD 3.8Å; Q190-M194 WeakPolarHBondContact O-CB 3.32Å; Q190-M194 VanDerWaalsContact O-CG 3.27Å; Q190-M194 WeakPolarHBondContact O-CG 3.19Å; Q190-M194 PolarHBondContact O-N 2.88Å; L191-M194 PolarHBondContact O-N 3.36Å; Q192-M194 VanDerWaalsContact C-N 3.32Å; Q192-M194 PolarHBondContact O-N 2.97Å; M194-E196 VanDerWaalsContact C-N 3.33Å; M194-E196 PolarHBondContact O-N 2.9Å; M194-N197 CarbonylContact O-C 3.34Å; M194-N197 PolarHBondContact O-N 3.49Å; M194-N197 VanDerWaalsContact O-N 3.15Å; M194-A198 WeakPolarHBondContact O-CB 3.35Å; M194-A198 PolarHBondContact O-N 3.29Å; M194-F206 HydrophobicContact CE-CZ 4.13Å
195K71.3Confident71.4Confident88 Ų8877 Ų7738%0.38336%0.355SS..Hα-helixtrans-57.4-44.7171.4-179.3-177.1-166146.10111.7L86 L191 Q192 N197 A198L86-K195 HydrophobicContact CD1-CB 3.95Å; L86-K195 HydrophobicContact CD1-CD 3.22Å; L86-K195 HydrophobicContact CD1-CG 3.51Å; L86-K195 VanDerWaalsContact CD1-NZ 3.3Å; L191-K195 VanDerWaalsContact O-CB 3.28Å; L191-K195 WeakPolarHBondContact O-CB 3.13Å; L191-K195 PolarHBondContact O-N 2.87Å; Q192-K195 WeakPolarHBondContact O-CB 3.37Å; Q192-K195 PolarHBondContact O-N 3.44Å; K195-N197 VanDerWaalsContact C-N 3.29Å; K195-N197 PolarHBondContact O-N 3.19Å; K195-A198 WeakPolarHBondContact O-CB 3.24Å; K195-A198 PolarHBondContact O-N 2.95Å
196E72.3Confident72.5Confident107 Ų10773.8 Ų73.850%0.534%0.341SS..Hα-helixtrans-61.9-39.2177-74.3165.7-167.200111.8Q192 M194Q192-E196 PolarHBondContact NE2-OE1 3.49Å; Q192-E196 WeakPolarHBondContact O-CG 3.33Å; Q192-E196 PolarHBondContact O-N 3.06Å; M194-E196 VanDerWaalsContact C-N 3.33Å; M194-E196 PolarHBondContact O-N 2.9Å
197N68.6Low73.9Confident66 Ų6673.4 Ų73.435%0.35334%0.339SS..Hα-helixtrans-81.2-21178.8-69.4-45.5000114.1R193 M194 K195 K199 H200 R201 Y204R193-N197 PolarHBondContact O-N 3.37Å; R193-N197 VanDerWaalsContact O-N 3.17Å; R193-N197 PolarHBondContact O-ND2 3.43Å; M194-N197 CarbonylContact O-C 3.34Å; M194-N197 PolarHBondContact O-N 3.49Å; M194-N197 VanDerWaalsContact O-N 3.15Å; K195-N197 VanDerWaalsContact C-N 3.29Å; K195-N197 PolarHBondContact O-N 3.19Å; N197-K199 PolarHBondContact O-N 3.48Å; N197-K199 VanDerWaalsContact O-N 3.12Å; N197-H200 PolarHBondContact O-N 3.01Å; N197-R201 PolarHBondContact O-N 2.82Å; N197-R201 VanDerWaalsContact O-N 3.13Å; N197-Y204 WeakPolarHBondContact CB-OH 3.36Å
198A65.8Low75.2Confident27 Ų2772.5 Ų72.522%0.22334%0.335CS..Hα-helixtrans-58.8-27-179.700000112.3F78 M194 K195 H200 R201F78-A198 HydrophobicContact CB-CB 4.42Å; F78-A198 HydrophobicContact CD2-CB 4.28Å; F78-A198 HydrophobicContact CG-CB 4.31Å; M194-A198 WeakPolarHBondContact O-CB 3.35Å; M194-A198 PolarHBondContact O-N 3.29Å; K195-A198 WeakPolarHBondContact O-CB 3.24Å; K195-A198 PolarHBondContact O-N 2.95Å; A198-H200 PolarHBondContact O-N 2.91Å; A198-H200 VanDerWaalsContact O-N 3.11Å; A198-R201 WeakPolarHBondContact CA-O 3.26Å; A198-R201 CarbonylContact O-C 3.33Å; A198-R201 PolarHBondContact O-N 3.37Å
199K62.4Low76.5Confident178 Ų17867.3 Ų67.377%0.77431%0.31SS*.THydrogen-bonded Turntrans-58.4-20.6172.9-64.1-177.5179.6179.20113.9N197N197-K199 PolarHBondContact O-N 3.48Å; N197-K199 VanDerWaalsContact O-N 3.12Å
200H60.8Low77.7Confident172 Ų17265.1 Ų65.180%0.79630%0.3SS*.THydrogen-bonded Turntrans-118.7-20-177.7-57.9-42.2000112.9N197 A198N197-H200 PolarHBondContact O-N 3.01Å; A198-H200 PolarHBondContact O-N 2.91Å; A198-H200 VanDerWaalsContact O-N 3.11Å
201R68.4Low79Confident63 Ų6364.1 Ų64.124%0.23830%0.296CS..  trans-156.6116.9179.2179.4179.7177.8157.12.1110.5S100 E101 N102 N197 A198 Q203 Y204S100-R201 PolarHBondContact O-NH2 2.93Å; E101-R201 PolarHBondContact O-NH1 3.32Å; E101-R201 PolarHBondContact O-NH2 3.14Å; N102-R201 PolarHBondContact OD1-NH2 3.02Å; N197-R201 PolarHBondContact O-N 2.82Å; N197-R201 VanDerWaalsContact O-N 3.13Å; A198-R201 WeakPolarHBondContact CA-O 3.26Å; A198-R201 CarbonylContact O-C 3.33Å; A198-R201 PolarHBondContact O-N 3.37Å; R201-Q203 PolarHBondContact NE-O 3.16Å; R201-Y204 WeakPolarHBondContact O-CE2 3.44Å; R201-Y204 PolarHBondContact O-OH 2.82Å
202N73.4Confident80.1Confident97 Ų9762.9 Ų62.952%0.51929%0.289SS..  trans-99.72.3-177.571.9-16.6000114.5S77S77-N202 WeakPolarHBondContact CA-O 3.48Å; S77-N202 WeakPolarHBondContact CB-O 3.32Å
203Q80.3Confident81.1Confident109 Ų10958.7 Ų58.751%0.50927%0.27SS..EExtended strand (participates in β ladder)trans-128.5127.1-179.4-75.4-175.9-0.500112.3V76 R201V76-Q203 WeakPolarHBondContact O-CA 3.4Å; R201-Q203 PolarHBondContact NE-O 3.16Å
204Y87.4Confident82Confident26 Ų2655.8 Ų55.810%0.10226%0.26CS..EExtended strand (participates in β ladder)trans-126.6137.6-178-64.8-91.3000110.6S75 V76 F78 N197 R201S75-Y204 CarbonylContact C-O 3.49Å; S75-Y204 WeakPolarHBondContact CA-O 3.11Å; V76-Y204 PolarHBondContact N-O 3.47Å; V76-Y204 PolarHBondContact O-N 2.56Å; F78-Y204 HydrophobicContact CD2-CD2 4.15Å; F78-Y204 AromaticContact CD2-CE2 3.89Å; F78-Y204 HydrophobicContact CD2-CE2 3.89Å; F78-Y204 AromaticContact CE2-CD2 3.58Å; F78-Y204 HydrophobicContact CE2-CD2 3.58Å; F78-Y204 AromaticContact CE2-CE2 3.43Å; F78-Y204 HydrophobicContact CE2-CE2 3.43Å; F78-Y204 VanDerWaalsContact CE2-CE2 3.43Å; N197-Y204 WeakPolarHBondContact CB-OH 3.36Å; R201-Y204 WeakPolarHBondContact O-CE2 3.44Å; R201-Y204 PolarHBondContact O-OH 2.82Å
205K91.7Very high83Confident54 Ų5461.5 Ų61.524%0.23528%0.28CS..EExtended strand (participates in β ladder)trans-80.2132.3175.5-66-179-178.3177.30109.8L48 V73 V74 N102L48-K205 HydrophobicContact CB-CB 4.06Å; L48-K205 VanDerWaalsContact CB-O 3.27Å; L48-K205 WeakPolarHBondContact CB-O 3.21Å; L48-K205 HydrophobicContact CD1-CB 4.31Å; L48-K205 PolarHBondContact N-O 2.82Å; V73-K205 HydrophobicContact CG1-CB 4.14Å; V74-K205 CarbonylContact O-C 3.58Å; V74-K205 WeakPolarHBondContact O-CA 3.29Å; N102-K205 PolarHBondContact ND2-O 2.89Å; N102-K205 PolarHBondContact OD1-N 2.83Å
206F93.3Very high83.9Confident2 Ų258.2 Ų58.21%0.00927%0.265CS..EExtended strand (participates in β ladder)trans-121.8137.3175.3-83.4-122.9000109.8L37 C45 K46 P47 V73 V74 V76 M194L37-F206 HydrophobicContact CD1-CD1 4.41Å; L37-F206 HydrophobicContact CD1-CE1 3.66Å; L37-F206 HydrophobicContact CD1-CZ 4.31Å; C45-F206 HydrophobicContact CB-CB 4.23Å; C45-F206 HydrophobicContact CB-CD1 4.21Å; K46-F206 CarbonylContact O-C 3.46Å; K46-F206 WeakPolarHBondContact O-CA 3.41Å; K46-F206 WeakPolarHBondContact O-CB 3.38Å; K46-F206 WeakPolarHBondContact O-CD1 3.48Å; P47-F206 HydrophobicContact CB-CE2 4.46Å; P47-F206 HydrophobicContact CB-CZ 4.33Å; P47-F206 HydrophobicContact CG-CE1 3.84Å; P47-F206 HydrophobicContact CG-CE2 4.36Å; P47-F206 HydrophobicContact CG-CZ 3.76Å; V73-F206 CarbonylContact C-O 3.49Å; V73-F206 VanDerWaalsContact CA-O 3.25Å; V73-F206 WeakPolarHBondContact CA-O 3.28Å; V73-F206 VanDerWaalsContact CG1-O 3.25Å; V73-F206 WeakPolarHBondContact CG1-O 3.31Å; V74-F206 HydrophobicContact CG2-CB 4Å; V74-F206 PolarHBondContact N-O 2.89Å; V74-F206 PolarHBondContact O-N 2.83Å; V76-F206 HydrophobicContact CB-CD2 3.68Å; V76-F206 HydrophobicContact CB-CE2 3.82Å; V76-F206 HydrophobicContact CB-CG 4.31Å; V76-F206 HydrophobicContact CG1-CE2 4.25Å; V76-F206 HydrophobicContact CG2-CB 3.82Å; V76-F206 HydrophobicContact CG2-CD1 4.16Å; V76-F206 HydrophobicContact CG2-CD2 3.4Å; V76-F206 VanDerWaalsContact CG2-CD2 3.4Å; V76-F206 HydrophobicContact CG2-CE2 3.96Å; V76-F206 HydrophobicContact CG2-CG 3.53Å; M194-F206 HydrophobicContact CE-CZ 4.13Å
207I94.9Very high84.6Confident1 Ų158.6 Ų58.61%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-82.7134.5172.2-176162.7000109.2C45 K46 H53 Y56 Y70 L209C45-I207 WeakPolarHBondContact CA-O 3.45Å; K46-I207 HydrophobicContact CD-CG2 4.4Å; K46-I207 HydrophobicContact CG-CG2 3.47Å; K46-I207 VanDerWaalsContact CG-CG2 3.47Å; K46-I207 PolarHBondContact N-O 3.46Å; K46-I207 VanDerWaalsContact N-O 3.14Å; K46-I207 WeakPolarHBondContact O-CG2 3.38Å; K46-I207 PolarHBondContact O-N 3.37Å; H53-I207 HydrophobicContact CB-CD1 4.39Å; Y56-I207 HydrophobicContact CD2-CD1 3.63Å; Y56-I207 HydrophobicContact CE2-CD1 4.28Å; Y56-I207 HydrophobicContact CG-CD1 4.24Å; Y70-I207 HydrophobicContact CD2-CD1 3.71Å; Y70-I207 HydrophobicContact CD2-CG1 3.77Å; Y70-I207 HydrophobicContact CE2-CD1 3.74Å; Y70-I207 HydrophobicContact CE2-CG1 3.7Å; I207-L209 HydrophobicContact CD1-CD2 4.15Å; I207-L209 HydrophobicContact CG1-CD2 4.05Å; I207-L209 HydrophobicContact CG1-CG 4.28Å
208L95.6Very high85.7Confident0 Ų055.5 Ų55.50%025%0.245CC..EExtended strand (participates in β ladder)trans-95.1129.8174.5-61-173.3000110.2L5 L8 F39 T43 I44 C45 K71 G72 V74L5-L208 HydrophobicContact CD1-CD1 3.58Å; L8-L208 HydrophobicContact CD2-CD1 4.08Å; F39-L208 HydrophobicContact CB-CD2 4.34Å; F39-L208 HydrophobicContact CD1-CD1 4.43Å; F39-L208 HydrophobicContact CD1-CD2 4.27Å; F39-L208 HydrophobicContact CD2-CD2 4.2Å; F39-L208 HydrophobicContact CE1-CD1 4.25Å; F39-L208 HydrophobicContact CG-CD2 4.01Å; T43-L208 HydrophobicContact CG2-CB 4Å; T43-L208 HydrophobicContact CG2-CD2 4.33Å; I44-L208 WeakPolarHBondContact O-CA 3.48Å; C45-L208 HydrophobicContact CB-CD2 3.52Å; K71-L208 HydrophobicContact CB-CB 3.82Å; K71-L208 PolarHBondContact N-O 3.49Å; G72-L208 PolarHBondContact O-N 2.58Å; V74-L208 HydrophobicContact CG1-CD1 3.73Å; V74-L208 HydrophobicContact CG1-CD2 4.16Å; V74-L208 HydrophobicContact CG1-CG 4.05Å; V74-L208 HydrophobicContact CG2-CD2 3.71Å; V74-L208 HydrophobicContact CG2-CG 4.24Å
209L96.3Very high87Confident5 Ų554.3 Ų54.33%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-133.5155.9-179.3-60176000111T43 I44 K46 Y56 P68 Q69 Y70 I207 N211T43-L209 CarbonylContact C-O 3.59Å; T43-L209 WeakPolarHBondContact CA-O 3.35Å; T43-L209 WeakPolarHBondContact CG2-O 3.35Å; I44-L209 HydrophobicContact CD1-CB 4.48Å; I44-L209 HydrophobicContact CG1-CB 4.08Å; I44-L209 PolarHBondContact N-O 3.23Å; I44-L209 PolarHBondContact O-N 3.08Å; K46-L209 HydrophobicContact CD-CD1 4.48Å; Y56-L209 HydrophobicContact CD1-CD2 4.09Å; Y56-L209 HydrophobicContact CD2-CD2 4.06Å; Y56-L209 HydrophobicContact CE1-CD2 3.74Å; Y56-L209 HydrophobicContact CE2-CD1 4.01Å; Y56-L209 HydrophobicContact CE2-CD2 3.72Å; Y56-L209 HydrophobicContact CG-CD2 4.24Å; P68-L209 HydrophobicContact CB-CB 4.2Å; Q69-L209 CarbonylContact O-C 3.59Å; Q69-L209 WeakPolarHBondContact O-CA 3.48Å; Y70-L209 HydrophobicContact CD2-CD2 4.39Å; I207-L209 HydrophobicContact CD1-CD2 4.15Å; I207-L209 HydrophobicContact CG1-CD2 4.05Å; I207-L209 HydrophobicContact CG1-CG 4.28Å; L209-N211 PolarHBondContact O-N 2.77Å
210E95.8Very high88.6Confident30 Ų3045.8 Ų45.814%0.1420%0.199CC..EExtended strand (participates in β ladder)trans-52.6130.1169.2-176.5-177.3-172.500111.9P68 Q69 L212 R413P68-E210 HydrophobicContact CB-CB 4.23Å; Q69-E210 HydrophobicContact CB-CB 3.92Å; Q69-E210 PolarHBondContact N-OE2 2.89Å; Q69-E210 PolarHBondContact O-N 3.31Å; E210-L212 HydrophobicContact CG-CD2 4.17Å; E210-L212 PolarHBondContact O-N 2.79Å; E210-R413 IonicContact OE1-NH2 3.62Å; E210-R413 IonicContact OE2-CZ 3.56Å; E210-R413 IonicContact OE2-NH1 2.74Å; E210-R413 PolarHBondContact OE2-NH1 2.96Å; E210-R413 IonicContact OE2-NH2 3.52Å
211N94.9Very high90.4Very high9 Ų937.8 Ų37.85%0.04816%0.162CC..  trans-78.592.5170.3178.16.6000110.2F26 E41 Q42 I44 L209 T213 W214F26-N211 WeakPolarHBondContact CE2-OD1 3.48Å; E41-N211 PolarHBondContact O-ND2 3.04Å; Q42-N211 VanDerWaalsContact C-CB 3.48Å; Q42-N211 PolarHBondContact O-N 2.71Å; I44-N211 HydrophobicContact CG2-CB 3.89Å; L209-N211 PolarHBondContact O-N 2.77Å; N211-T213 PolarHBondContact O-N 2.88Å; N211-T213 PolarHBondContact OD1-N 2.83Å; N211-T213 VanDerWaalsContact OD1-N 3.07Å; N211-T213 PolarHBondContact OD1-OG1 3.42Å; N211-W214 HydrophobicContact CB-CB 4.18Å; N211-W214 WeakPolarHBondContact O-CB 3.46Å; N211-W214 PolarHBondContact O-N 3.18Å
212L95.1Very high91.8Very high16 Ų1634.8 Ų34.88%0.08415%0.15CC..THydrogen-bonded Turntrans-57.9-15-178-58.8176.4000115.1P68 E210 Y216 L335 I337 R413P68-L212 HydrophobicContact CG-CD1 4.11Å; P68-L212 HydrophobicContact CG-CG 4.42Å; E210-L212 HydrophobicContact CG-CD2 4.17Å; E210-L212 PolarHBondContact O-N 2.79Å; L212-Y216 VanDerWaalsContact O-CE2 3.26Å; L212-Y216 WeakPolarHBondContact O-CE2 3.27Å; L212-L335 HydrophobicContact CD1-CD2 3.92Å; L212-I337 HydrophobicContact CB-CD1 3.52Å; L212-I337 HydrophobicContact CD1-CD1 4.14Å; L212-R413 HydrophobicContact CD1-CB 3.74Å; L212-R413 HydrophobicContact CD1-CG 3.61Å; L212-R413 HydrophobicContact CD2-CG 3.88Å; L212-R413 HydrophobicContact CG-CG 4.39Å
213T93.9Very high92.9Very high9 Ų930.4 Ų30.46%0.05513%0.127CC..THydrogen-bonded Turntrans-93-7.7-179.5640000114.7F26 H28 N211 R215 Y216 P219 V221 I337F26-T213 VanDerWaalsContact CE2-OG1 3.31Å; F26-T213 WeakPolarHBondContact CE2-OG1 3.48Å; F26-T213 HydrophobicContact CZ-CG2 3.93Å; F26-T213 VanDerWaalsContact CZ-OG1 3.3Å; F26-T213 WeakPolarHBondContact CZ-OG1 3.44Å; H28-T213 HydrophobicContact CB-CG2 3.99Å; N211-T213 PolarHBondContact O-N 2.88Å; N211-T213 PolarHBondContact OD1-N 2.83Å; N211-T213 VanDerWaalsContact OD1-N 3.07Å; N211-T213 PolarHBondContact OD1-OG1 3.42Å; T213-R215 PolarHBondContact O-N 3.08Å; T213-R215 VanDerWaalsContact O-N 3.11Å; T213-Y216 PolarHBondContact O-N 2.82Å; T213-Y216 VanDerWaalsContact O-N 3.12Å; T213-P219 HydrophobicContact CG2-CB 4.07Å; T213-P219 HydrophobicContact CG2-CG 4.42Å; T213-V221 HydrophobicContact CG2-CG2 4.24Å; T213-I337 HydrophobicContact CG2-CD1 4.46Å
214W90.8Very high93.8Very high91 Ų9125.2 Ų25.235%0.34510%0.103SC..THydrogen-bonded Turntrans-62.1-26.8-166.580.2-104.9000114.5E41 Q42 N211E41-W214 VanDerWaalsContact O-CB 3.24Å; E41-W214 WeakPolarHBondContact O-CB 3.28Å; Q42-W214 HydrophobicContact CB-CG 4.36Å; Q42-W214 HydrophobicContact CG-CD2 3.85Å; Q42-W214 HydrophobicContact CG-CE3 4.11Å; Q42-W214 HydrophobicContact CG-CG 4.13Å; Q42-W214 HydrophobicContact CG-CZ2 4.37Å; N211-W214 HydrophobicContact CB-CB 4.18Å; N211-W214 WeakPolarHBondContact O-CB 3.46Å; N211-W214 PolarHBondContact O-N 3.18Å
215R89.5Confident94.2Very high142 Ų14225.2 Ų25.254%0.53610%0.103SC..THydrogen-bonded Turntrans-85.8-16.2-177.5-60.6-174.5176.9-160.6-2.2114T213 E409T213-R215 PolarHBondContact O-N 3.08Å; T213-R215 VanDerWaalsContact O-N 3.11Å; R215-E409 VanDerWaalsContact CD-OE1 3.29Å; R215-E409 WeakPolarHBondContact CD-OE1 3.42Å; R215-E409 IonicContact NH1-OE1 2.89Å
216Y90.6Very high94.5Very high19 Ų1922.7 Ų22.78%0.0759%0.092CC..  trans-94.5135.1-172.6-57.8-64.3000110.5L212 T213 P219 I337 D339 E409 D411L212-Y216 VanDerWaalsContact O-CE2 3.26Å; L212-Y216 WeakPolarHBondContact O-CE2 3.27Å; T213-Y216 PolarHBondContact O-N 2.82Å; T213-Y216 VanDerWaalsContact O-N 3.12Å; Y216-P219 HydrophobicContact CD2-CB 4.34Å; Y216-P219 HydrophobicContact CG-CB 4.44Å; Y216-I337 HydrophobicContact CD2-CG2 3.51Å; Y216-I337 HydrophobicContact CE2-CB 4Å; Y216-I337 HydrophobicContact CE2-CG2 3.26Å; Y216-I337 HydrophobicContact CG-CG2 4.38Å; Y216-D339 HydrophobicContact CD1-CB 3.73Å; Y216-E409 HydrophobicContact CE1-CB 4.2Å; Y216-E409 HydrophobicContact CE1-CG 4.01Å; Y216-E409 WeakPolarHBondContact CE1-O 3.38Å; Y216-D411 WeakPolarHBondContact OH-CB 3.3Å; Y216-D411 PolarHBondContact OH-N 3.47Å
217R88.1Confident94.6Very high114 Ų11422.8 Ų22.843%0.439%0.094SC..SBendtrans-72.7-43.2175.3-171.9178.1176.8-143.7-7.2111.1D339 D341R217-D339 PolarHBondContact N-OD2 2.85Å; R217-D341 IonicContact CZ-OD2 3.48Å; R217-D341 IonicContact NH1-OD2 2.72Å; R217-D341 PolarHBondContact NH1-OD2 3.13Å
218V90.8Very high94.6Very high1 Ų125.6 Ų25.61%0.00611%0.111CC..SBendtrans-132.782.4176.7-168.60000108.8V173 C220 Y265 D339 G340 D341V173-V218 HydrophobicContact CG1-CG2 3.55Å; V218-C220 PolarHBondContact O-N 3.49Å; V218-C220 VanDerWaalsContact O-N 3.16Å; V218-Y265 HydrophobicContact CG1-CD1 4.25Å; V218-Y265 HydrophobicContact CG1-CD2 3.92Å; V218-Y265 HydrophobicContact CG1-CG 3.68Å; V218-D339 PolarHBondContact N-OD1 3.13Å; V218-G340 PolarHBondContact O-N 3.47Å; V218-D341 HydrophobicContact CB-CB 4.3Å; V218-D341 HydrophobicContact CG2-CB 3.78Å
219P93.6Very high94.4Very high2 Ų229.3 Ų29.31%0.01313%0.125CC..EExtended strand (participates in β ladder)trans-64.9119.7-174.725-33.3000111.1H28 T213 Y216 V221 Q263 I337H28-P219 HydrophobicContact CB-CG 4.38Å; H28-P219 VanDerWaalsContact CE1-CG 3.42Å; H28-P219 WeakPolarHBondContact CE1-CG 3.32Å; H28-P219 WeakPolarHBondContact ND1-CG 3.35Å; T213-P219 HydrophobicContact CG2-CB 4.07Å; T213-P219 HydrophobicContact CG2-CG 4.42Å; Y216-P219 HydrophobicContact CD2-CB 4.34Å; Y216-P219 HydrophobicContact CG-CB 4.44Å; P219-V221 HydrophobicContact CB-CG2 4.04Å; P219-Q263 PolarHBondContact O-NE2 3.29Å; P219-I337 HydrophobicContact CB-CG2 4.35Å
220C96.1Very high94.2Very high0 Ų029.3 Ų29.30%013%0.125CC..EExtended strand (participates in β ladder)trans-88125.7161.9-67.40000108.1V218 Q263 Y265 F295 I337 Y338V218-C220 PolarHBondContact O-N 3.49Å; V218-C220 VanDerWaalsContact O-N 3.16Å; C220-Q263 CarbonylContact C-O 3.51Å; C220-Q263 VanDerWaalsContact CA-O 3.23Å; C220-Q263 WeakPolarHBondContact CA-O 3.44Å; C220-Y265 PolarHBondContact SG-N 2.76Å; C220-F295 HydrophobicContact CB-CE2 4.26Å; C220-I337 VanDerWaalsContact O-CA 3.27Å; C220-I337 WeakPolarHBondContact O-CA 3.5Å; C220-Y338 HydrophobicContact CB-CD1 3.96Å; C220-Y338 HydrophobicContact CB-CD2 3.87Å; C220-Y338 HydrophobicContact CB-CE1 3.54Å; C220-Y338 HydrophobicContact CB-CE2 3.42Å; C220-Y338 VanDerWaalsContact CB-CE2 3.42Å; C220-Y338 HydrophobicContact CB-CG 4.11Å; C220-Y338 PolarHBondContact N-O 2.93Å; C220-Y338 PolarHBondContact O-N 3.32Å; C220-Y338 VanDerWaalsContact O-N 3.13Å; C220-Y338 WeakPolarHBondContact SG-CE2 3.43Å; C220-Y338 VanDerWaalsContact SG-CZ 3.57Å; C220-Y338 PolarHBondContact SG-OH 3.33Å
221V96.9Very high94Very high3 Ų329 Ų292%0.01812%0.123CC..EExtended strand (participates in β ladder)trans-131.2128.5-169.8-174.50000110.1V30 T213 P219 M262 Q263 L335 I336 I337V30-V221 HydrophobicContact CG1-CB 3.85Å; V30-V221 HydrophobicContact CG1-CG1 4.08Å; V30-V221 HydrophobicContact CG2-CB 4.27Å; V30-V221 HydrophobicContact CG2-CG1 3.66Å; T213-V221 HydrophobicContact CG2-CG2 4.24Å; P219-V221 HydrophobicContact CB-CG2 4.04Å; V221-M262 CarbonylContact O-C 3.52Å; V221-M262 VanDerWaalsContact O-CA 3.32Å; V221-M262 WeakPolarHBondContact O-CA 3.34Å; V221-Q263 PolarHBondContact N-O 2.97Å; V221-Q263 PolarHBondContact O-N 3.06Å; V221-L335 HydrophobicContact CG1-CD1 3.53Å; V221-L335 HydrophobicContact CG1-CD2 4.34Å; V221-L335 HydrophobicContact CG1-CG 4.02Å; V221-I336 WeakPolarHBondContact CA-O 3.34Å; V221-I337 HydrophobicContact CG1-CG1 4.25Å; V221-I337 HydrophobicContact CG2-CG1 4.38Å; V221-I337 HydrophobicContact CG2-CG2 4.21Å
222L98.1Very high93.7Very high1 Ų128.7 Ų28.71%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-123.1120.9174.2175.166.7000110.3L224 L259 M262 L292 F295 L335 I336L222-L224 HydrophobicContact CD1-CD2 3.85Å; L222-L224 HydrophobicContact CD1-CG 4.44Å; L222-L224 HydrophobicContact CD2-CD1 4.07Å; L222-L224 HydrophobicContact CD2-CD2 4.01Å; L222-L224 HydrophobicContact CD2-CG 4.05Å; L222-L224 HydrophobicContact CG-CD1 4.45Å; L222-L224 HydrophobicContact CG-CD2 3.86Å; L222-L224 HydrophobicContact CG-CG 3.91Å; L222-L259 HydrophobicContact CD1-CD1 4.06Å; L222-L259 HydrophobicContact CD1-CG 4.14Å; L222-M262 HydrophobicContact CD1-CB 4.03Å; L222-M262 HydrophobicContact CD1-CG 4.05Å; L222-M262 HydrophobicContact CD1-SD 4.06Å; L222-L292 HydrophobicContact CD2-CD2 3.63Å; L222-F295 HydrophobicContact CB-CD1 4.12Å; L222-F295 HydrophobicContact CB-CD2 3.65Å; L222-F295 HydrophobicContact CB-CE1 3.86Å; L222-F295 HydrophobicContact CB-CE2 3.4Å; L222-F295 HydrophobicContact CB-CG 4.02Å; L222-F295 HydrophobicContact CB-CZ 3.49Å; L222-F295 VanDerWaalsContact CB-CZ 3.49Å; L222-F295 HydrophobicContact CD2-CB 4.39Å; L222-F295 HydrophobicContact CD2-CD1 3.74Å; L222-F295 HydrophobicContact CD2-CD2 4.36Å; L222-F295 HydrophobicContact CD2-CE1 4.09Å; L222-F295 HydrophobicContact CD2-CG 3.88Å; L222-F295 HydrophobicContact CG-CD2 4.43Å; L222-F295 HydrophobicContact CG-CG 4.43Å; L222-L335 CarbonylContact O-C 3.6Å; L222-L335 VanDerWaalsContact O-CA 3.3Å; L222-L335 WeakPolarHBondContact O-CA 3.39Å; L222-I336 HydrophobicContact CB-CB 4.43Å; L222-I336 HydrophobicContact CD2-CD1 4.39Å; L222-I336 PolarHBondContact N-O 3.05Å; L222-I336 PolarHBondContact O-N 3.1Å
223D97.8Very high93.3Very high4 Ų430.5 Ų30.52%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-102.7117.1174.1179.4-25.3000109.6V30 C260 G261 S333 L335V30-D223 HydrophobicContact CG2-CB 3.71Å; D223-C260 PolarHBondContact O-N 3.06Å; D223-G261 PolarHBondContact N-O 3.45Å; D223-G261 PolarHBondContact O-N 2.88Å; D223-S333 WeakPolarHBondContact OD1-CB 3.39Å; D223-S333 PolarHBondContact OD1-OG 2.98Å; D223-L335 HydrophobicContact CB-CD1 3.96Å
224L97.8Very high92.9Very high0 Ų035.9 Ų35.90%016%0.161CC..EExtended strand (participates in β ladder)trans-112.9121.3178.1-60.8-179.6000110L222 M226 V257 R258 L259 F288 S333 L334 I336 L446L222-L224 HydrophobicContact CD1-CD2 3.85Å; L222-L224 HydrophobicContact CD1-CG 4.44Å; L222-L224 HydrophobicContact CD2-CD1 4.07Å; L222-L224 HydrophobicContact CD2-CD2 4.01Å; L222-L224 HydrophobicContact CD2-CG 4.05Å; L222-L224 HydrophobicContact CG-CD1 4.45Å; L222-L224 HydrophobicContact CG-CD2 3.86Å; L222-L224 HydrophobicContact CG-CG 3.91Å; L224-M226 HydrophobicContact CB-SD 4.2Å; L224-V257 HydrophobicContact CB-CG2 3.87Å; L224-V257 HydrophobicContact CD1-CG2 4.17Å; L224-V257 HydrophobicContact CD2-CG2 4.43Å; L224-V257 HydrophobicContact CG-CG2 4.39Å; L224-R258 CarbonylContact C-O 3.53Å; L224-R258 WeakPolarHBondContact CA-O 3.27Å; L224-L259 HydrophobicContact CD2-CB 4.48Å; L224-F288 HydrophobicContact CD2-CE2 3.89Å; L224-F288 HydrophobicContact CD2-CZ 4.1Å; L224-S333 CarbonylContact O-C 3.58Å; L224-S333 WeakPolarHBondContact O-CA 3.45Å; L224-S333 WeakPolarHBondContact O-CB 3.44Å; L224-L334 HydrophobicContact CD1-CD2 4.45Å; L224-L334 PolarHBondContact N-O 3.45Å; L224-L334 PolarHBondContact O-N 2.94Å; L224-I336 HydrophobicContact CD1-CD1 4.49Å; L224-L446 HydrophobicContact CD1-CD1 3.77Å; L224-L446 HydrophobicContact CD1-CD2 3.58Å; L224-L446 HydrophobicContact CD1-CG 4.34Å
225K96.8Very high92.8Very high27 Ų2732.1 Ų32.112%0.11715%0.149CC..EExtended strand (participates in β ladder)trans-80.9128172.1-168118.5-61.7-168.60109.4V257 R258 C260 S331 S333 D416K225-V257 WeakPolarHBondContact O-CA 3.14Å; K225-R258 HydrophobicContact CB-CG 4.01Å; K225-R258 PolarHBondContact N-O 3.02Å; K225-R258 PolarHBondContact O-N 2.89Å; K225-C260 WeakPolarHBondContact CB-SG 3.48Å; K225-S331 WeakPolarHBondContact CE-O 3.33Å; K225-S331 PolarHBondContact NZ-O 2.99Å; K225-S333 WeakPolarHBondContact CE-OG 3.42Å; K225-S333 PolarHBondContact NZ-OG 3.25Å; K225-D416 IonicContact NZ-OD2 3.67Å
226M96.9Very high92.9Very high0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-102.5155.8-172.6-56.5-57.8-71.700111.7L224 G256 V257 S332 L334 F439 L443L224-M226 HydrophobicContact CB-SD 4.2Å; M226-G256 CarbonylContact C-O 3.56Å; M226-V257 HydrophobicContact CE-CG2 4.49Å; M226-V257 HydrophobicContact SD-CB 4.18Å; M226-V257 HydrophobicContact SD-CG2 3.63Å; M226-S332 PolarHBondContact N-O 3.29Å; M226-L334 HydrophobicContact CE-CD1 4.48Å; M226-L334 HydrophobicContact CG-CB 3.84Å; M226-L334 HydrophobicContact SD-CB 3.93Å; M226-F439 HydrophobicContact CB-CD1 4.39Å; M226-F439 HydrophobicContact CB-CD2 3.45Å; M226-F439 VanDerWaalsContact CB-CD2 3.45Å; M226-F439 HydrophobicContact CB-CE1 4.23Å; M226-F439 HydrophobicContact CB-CE2 3.28Å; M226-F439 HydrophobicContact CB-CG 4.03Å; M226-F439 HydrophobicContact CB-CZ 3.71Å; M226-F439 HydrophobicContact CE-CD1 4.49Å; M226-F439 HydrophobicContact CE-CE1 4.17Å; M226-F439 HydrophobicContact CG-CD2 4.25Å; M226-F439 HydrophobicContact CG-CE1 4.11Å; M226-F439 HydrophobicContact CG-CE2 3.61Å; M226-F439 HydrophobicContact CG-CZ 3.53Å; M226-L443 HydrophobicContact CE-CB 4.08Å
227G96.3Very high92.9Very high4 Ų434.4 Ų34.44%0.04117%0.174CC..  trans92.1145.5175.500000114.9R229 Q230 G256 G438G227-R229 VanDerWaalsContact C-N 3.3Å; G227-Q230 PolarHBondContact O-NE2 3.38Å; G227-G256 PolarHBondContact N-O 2.92Å; G227-G438 WeakPolarHBondContact CA-O 3.5Å
228T94.1Very high93.1Very high60 Ų6033 Ų3337%0.36817%0.173SC..SBendtrans-77.7-16.1170.3540000112.7C247 F441T228-C247 PolarHBondContact O-SG 2.94Å; T228-F441 HydrophobicContact CG2-CD1 3.77Å; T228-F441 HydrophobicContact CG2-CE1 4.08Å
229R93.1Very high93Very high79 Ų7936.4 Ų36.430%0.29819%0.187SC..  trans-124.1133174178.4-180166.3-172.10.6109.6G227 H231 G232 D233 Y330G227-R229 VanDerWaalsContact C-N 3.3Å; R229-H231 VanDerWaalsContact CZ-CE1 3.41Å; R229-H231 PolarHBondContact NE-CE1 2.74Å; R229-H231 PolarHBondContact NE-ND1 2.93Å; R229-H231 PolarHBondContact NE-NE2 2.99Å; R229-H231 PolarHBondContact NE-O 3.5Å; R229-H231 PolarHBondContact NH2-CE1 2.9Å; R229-H231 VanDerWaalsContact NH2-CE1 3.26Å; R229-H231 PolarHBondContact NH2-ND1 3.39Å; R229-H231 PolarHBondContact NH2-O 2.83Å; R229-G232 PolarHBondContact NH2-O 2.89Å; R229-D233 IonicContact CZ-OD1 2.68Å; R229-D233 IonicContact NH1-OD1 3.97Å; R229-D233 PolarHBondContact NH1-OD1 2.63Å; R229-D233 IonicContact NH2-OD1 3.18Å; R229-D233 PolarHBondContact NH2-OD1 2.85Å; R229-Y330 HydrophobicContact CB-CE1 4.49Å; R229-Y330 HydrophobicContact CG-CD1 4.17Å; R229-Y330 HydrophobicContact CG-CE1 3.98Å; R229-Y330 PolarHBondContact NH1-OH 3.12Å
230Q90.6Very high92.9Very high5 Ų539.5 Ų39.52%0.02320%0.201CC..  trans-128.33.6-174-69.2172.74.500114.1G227 Q243 S252 S331G227-Q230 PolarHBondContact O-NE2 3.38Å; Q230-Q243 VanDerWaalsContact O-CD 3.28Å; Q230-Q243 PolarHBondContact O-NE2 3.44Å; Q230-Q243 VanDerWaalsContact O-NE2 3.1Å; Q230-S252 PolarHBondContact NE2-OG 2.91Å; Q230-S252 VanDerWaalsContact NE2-OG 3.12Å; Q230-S331 PolarHBondContact O-OG 3.14Å
231H92.1Very high92.7Very high22 Ų2242.2 Ų42.210%0.10222%0.223CC..  trans-101.2135.4171.767.785.5000110.1R229 A235 K240 Q243 Y330R229-H231 VanDerWaalsContact CZ-CE1 3.41Å; R229-H231 PolarHBondContact NE-CE1 2.74Å; R229-H231 PolarHBondContact NE-ND1 2.93Å; R229-H231 PolarHBondContact NE-NE2 2.99Å; R229-H231 PolarHBondContact NE-O 3.5Å; R229-H231 PolarHBondContact NH2-CE1 2.9Å; R229-H231 VanDerWaalsContact NH2-CE1 3.26Å; R229-H231 PolarHBondContact NH2-ND1 3.39Å; R229-H231 PolarHBondContact NH2-O 2.83Å; H231-A235 HydrophobicContact CB-CB 4.17Å; H231-K240 HydrophobicContact CB-CB 4.41Å; H231-K240 HydrophobicContact CB-CG 4.33Å; H231-Q243 HydrophobicContact CB-CB 4.1Å; H231-Y330 WeakPolarHBondContact O-CD1 3.37Å
232G88.6Confident92.4Very high3 Ų343.5 Ų43.53%0.03123%0.23CC..  trans-63.3173.9167.500000111.8R229 D234R229-G232 PolarHBondContact NH2-O 2.89Å; G232-D234 VanDerWaalsContact C-N 3.35Å
233D87.6Confident92Very high54 Ų5444.5 Ų44.529%0.28923%0.234SC..SBendtrans-78.3-24.6175.2-61.2-54.4000111.9R229 V430 H432R229-D233 IonicContact CZ-OD1 2.68Å; R229-D233 IonicContact NH1-OD1 3.97Å; R229-D233 PolarHBondContact NH1-OD1 2.63Å; R229-D233 IonicContact NH2-OD1 3.18Å; R229-D233 PolarHBondContact NH2-OD1 2.85Å; D233-V430 HydrophobicContact CB-CB 4.1Å; D233-V430 HydrophobicContact CB-CG2 3.85Å; D233-H432 IonicContact OD1-NE2 2.91Å; D233-H432 IonicContact OD2-CD2 2.92Å; D233-H432 IonicContact OD2-CE1 3.53Å; D233-H432 IonicContact OD2-NE2 3.13Å; D233-H432 PolarHBondContact OD2-NE2 2.78Å
234D85.8Confident91.8Very high122 Ų12247.1 Ų47.165%0.65225%0.248SC*.SBendtrans-87.3-1.8177.767.3-31.2000113.9G232 S236G232-D234 VanDerWaalsContact C-N 3.35Å; D234-S236 PolarHBondContact O-N 2.89Å
235A88Confident91.5Very high13 Ų1350.9 Ų50.911%0.10726%0.262CS..  trans-67.9130.3-17600000111.5H231 K239 K240H231-A235 HydrophobicContact CB-CB 4.17Å; A235-K239 HydrophobicContact CB-CB 4.48Å; A235-K239 HydrophobicContact CB-CD 4.34Å; A235-K239 HydrophobicContact CB-CG 4.44Å; A235-K240 HydrophobicContact CB-CB 4.43Å
236S91.1Very high91.2Very high72 Ų7251.8 Ų51.850%0.50327%0.266SS..  trans-56.4152171.770.90000111.7D234 E238 K239 K240D234-S236 PolarHBondContact O-N 2.89Å; S236-E238 PolarHBondContact O-N 3.46Å; S236-K239 WeakPolarHBondContact O-CA 3.34Å; S236-K239 WeakPolarHBondContact O-CB 3.38Å; S236-K239 PolarHBondContact O-N 2.67Å; S236-K239 WeakPolarHBondContact OG-CB 3.45Å; S236-K239 PolarHBondContact OG-N 3.31Å; S236-K240 WeakPolarHBondContact O-CB 3.49Å; S236-K240 PolarHBondContact O-N 3.46Å
237E91.5Very high91Very high136 Ų13652.2 Ų52.264%0.63627%0.269SS*.Hα-helixtrans-56.7-36.6-178.2-67.9-56.4132.200112.7K240 A241E237-K240 IonicContact OE1-NZ 3.64Å; E237-A241 VanDerWaalsContact O-CB 3.26Å; E237-A241 WeakPolarHBondContact O-CB 3.31Å; E237-A241 PolarHBondContact O-N 3.3Å
238E91.1Very high90.8Very high85 Ų8558.7 Ų58.740%0.39730%0.298SS..Hα-helixtrans-64.4-43.7174.1-175.7174.8-169.700111.6K147 Y151 S236 N242K147-E238 IonicContact NZ-OE1 2.62Å; K147-E238 IonicContact NZ-OE2 2.75Å; K147-E238 PolarHBondContact NZ-OE2 3.43Å; Y151-E238 PolarHBondContact OH-OE1 3.45Å; S236-E238 PolarHBondContact O-N 3.46Å; E238-N242 WeakPolarHBondContact O-CB 3.42Å; E238-N242 PolarHBondContact O-N 2.96Å; E238-N242 VanDerWaalsContact O-N 3.11Å; E238-N242 PolarHBondContact O-ND2 3.5Å
239K88.8Confident90.6Very high72 Ų7260.5 Ų60.531%0.31330%0.303SS..Hα-helixtrans-67.3-43.9178.8-174.3175.8179.6-178.20111.2A235 S236 N242 Q243 H419A235-K239 HydrophobicContact CB-CB 4.48Å; A235-K239 HydrophobicContact CB-CD 4.34Å; A235-K239 HydrophobicContact CB-CG 4.44Å; S236-K239 WeakPolarHBondContact O-CA 3.34Å; S236-K239 WeakPolarHBondContact O-CB 3.38Å; S236-K239 PolarHBondContact O-N 2.67Å; S236-K239 WeakPolarHBondContact OG-CB 3.45Å; S236-K239 PolarHBondContact OG-N 3.31Å; K239-N242 PolarHBondContact O-N 3.32Å; K239-Q243 WeakPolarHBondContact O-CG 3.49Å; K239-Q243 PolarHBondContact O-N 2.89Å; K239-H419 PolarHBondContact NZ-CE1 3.26Å; K239-H419 PolarHBondContact NZ-NE2 3.34Å; K239-H419 VanDerWaalsContact NZ-NE2 3.17Å
240K91.6Very high90.7Very high68 Ų6857.3 Ų57.330%0.29629%0.292SS..Hα-helixtrans-59.9-51.2176.4178.9174.4175.2-170.90111.3H231 A235 S236 E237 N242 Q243 I244H231-K240 HydrophobicContact CB-CB 4.41Å; H231-K240 HydrophobicContact CB-CG 4.33Å; A235-K240 HydrophobicContact CB-CB 4.43Å; S236-K240 WeakPolarHBondContact O-CB 3.49Å; S236-K240 PolarHBondContact O-N 3.46Å; E237-K240 IonicContact OE1-NZ 3.64Å; K240-N242 VanDerWaalsContact C-N 3.29Å; K240-N242 PolarHBondContact O-N 2.96Å; K240-Q243 PolarHBondContact O-N 2.99Å; K240-I244 HydrophobicContact CG-CD1 3.73Å; K240-I244 HydrophobicContact CG-CG1 4.47Å; K240-I244 WeakPolarHBondContact O-CB 3.28Å; K240-I244 VanDerWaalsContact O-CG1 3.26Å; K240-I244 WeakPolarHBondContact O-CG1 3.38Å; K240-I244 PolarHBondContact O-N 3.34Å
241A92.9Very high90.9Very high56 Ų5657.1 Ų57.146%0.46329%0.291SS..Hα-helixtrans-57.5-42.2176.500000112E237 I244 R245E237-A241 VanDerWaalsContact O-CB 3.26Å; E237-A241 WeakPolarHBondContact O-CB 3.31Å; E237-A241 PolarHBondContact O-N 3.3Å; A241-I244 PolarHBondContact O-N 3.43Å; A241-R245 WeakPolarHBondContact O-CB 3.38Å; A241-R245 PolarHBondContact O-N 3.33Å
242N89.8Confident91.1Very high31 Ų3156.1 Ų56.117%0.16629%0.287CS..Hα-helixtrans-65.3-40.8176.8-83.2-47.9000113.3Y151 E238 K239 K240 R245 K246Y151-N242 PolarHBondContact OH-ND2 3.13Å; E238-N242 WeakPolarHBondContact O-CB 3.42Å; E238-N242 PolarHBondContact O-N 2.96Å; E238-N242 VanDerWaalsContact O-N 3.11Å; E238-N242 PolarHBondContact O-ND2 3.5Å; K239-N242 PolarHBondContact O-N 3.32Å; K240-N242 VanDerWaalsContact C-N 3.29Å; K240-N242 PolarHBondContact O-N 2.96Å; N242-R245 PolarHBondContact OD1-NH2 2.77Å; N242-K246 VanDerWaalsContact O-CG 3.27Å; N242-K246 WeakPolarHBondContact O-CG 3.47Å; N242-K246 PolarHBondContact O-N 3.43Å; N242-K246 VanDerWaalsContact O-N 3.09Å
243Q90.9Very high91.4Very high21 Ų2158.4 Ų58.410%0.09831%0.306CS..Hα-helixtrans-70-39.2177-76.8169.6-36.200111.8Q230 H231 K239 K240 K246 C247 S331Q230-Q243 VanDerWaalsContact O-CD 3.28Å; Q230-Q243 PolarHBondContact O-NE2 3.44Å; Q230-Q243 VanDerWaalsContact O-NE2 3.1Å; H231-Q243 HydrophobicContact CB-CB 4.1Å; K239-Q243 WeakPolarHBondContact O-CG 3.49Å; K239-Q243 PolarHBondContact O-N 2.89Å; K240-Q243 PolarHBondContact O-N 2.99Å; Q243-K246 PolarHBondContact O-N 3.29Å; Q243-C247 WeakPolarHBondContact O-CB 3.36Å; Q243-C247 PolarHBondContact O-N 3.26Å; Q243-S331 PolarHBondContact NE2-OG 3.44Å
244I91.9Very high91.8Very high59 Ų5959.4 Ų59.430%0.30332%0.317SS..Hα-helixtrans-60.6-50.5173.7-70.2168000110.2K240 A241 K246 C247 Q248K240-I244 HydrophobicContact CG-CD1 3.73Å; K240-I244 HydrophobicContact CG-CG1 4.47Å; K240-I244 WeakPolarHBondContact O-CB 3.28Å; K240-I244 VanDerWaalsContact O-CG1 3.26Å; K240-I244 WeakPolarHBondContact O-CG1 3.38Å; K240-I244 PolarHBondContact O-N 3.34Å; A241-I244 PolarHBondContact O-N 3.43Å; I244-K246 VanDerWaalsContact C-N 3.33Å; I244-K246 PolarHBondContact O-N 2.84Å; I244-C247 WeakPolarHBondContact O-CB 3.23Å; I244-C247 PolarHBondContact O-N 3.06Å; I244-Q248 HydrophobicContact CG2-CG 4.28Å; I244-Q248 WeakPolarHBondContact O-CG 3.25Å; I244-Q248 PolarHBondContact O-N 2.93Å
245R92.8Very high92.4Very high79 Ų7954.1 Ų54.130%0.29829%0.288SS..Hα-helixtrans-55.6-46.8177.3-179.9174.160.7146.7-2.5111.7E155 A241 N242 C247 Q248 Q249E155-R245 IonicContact OE1-NH1 3.4Å; A241-R245 WeakPolarHBondContact O-CB 3.38Å; A241-R245 PolarHBondContact O-N 3.33Å; N242-R245 PolarHBondContact OD1-NH2 2.77Å; R245-C247 VanDerWaalsContact C-N 3.31Å; R245-C247 PolarHBondContact O-N 3.38Å; R245-Q248 PolarHBondContact O-N 2.9Å; R245-Q249 HydrophobicContact CG-CG 4.46Å; R245-Q249 WeakPolarHBondContact O-CB 3.29Å; R245-Q249 VanDerWaalsContact O-CG 3.26Å; R245-Q249 WeakPolarHBondContact O-CG 3.29Å; R245-Q249 PolarHBondContact O-N 3.1Å
246K90.9Very high92.8Very high46 Ų4653.5 Ų53.520%0.228%0.283CS..Hα-helixtrans-61.6-38.9176.8-73.6168-174.5172.30112.3N242 Q243 I244 S250N242-K246 VanDerWaalsContact O-CG 3.27Å; N242-K246 WeakPolarHBondContact O-CG 3.47Å; N242-K246 PolarHBondContact O-N 3.43Å; N242-K246 VanDerWaalsContact O-N 3.09Å; Q243-K246 PolarHBondContact O-N 3.29Å; I244-K246 VanDerWaalsContact C-N 3.33Å; I244-K246 PolarHBondContact O-N 2.84Å; K246-S250 WeakPolarHBondContact O-CB 3.28Å; K246-S250 PolarHBondContact O-OG 3.12Å
247C91.3Very high93.1Very high9 Ų950.1 Ų50.16%0.06126%0.259CS..Hα-helixtrans-65.3-51177.9-1670000110.9T228 Q243 I244 R245 Q249 S250 S252 A253T228-C247 PolarHBondContact O-SG 2.94Å; Q243-C247 WeakPolarHBondContact O-CB 3.36Å; Q243-C247 PolarHBondContact O-N 3.26Å; I244-C247 WeakPolarHBondContact O-CB 3.23Å; I244-C247 PolarHBondContact O-N 3.06Å; R245-C247 VanDerWaalsContact C-N 3.31Å; R245-C247 PolarHBondContact O-N 3.38Å; C247-Q249 VanDerWaalsContact C-N 3.3Å; C247-Q249 PolarHBondContact O-N 2.83Å; C247-S250 PolarHBondContact O-N 2.63Å; C247-S250 VanDerWaalsContact O-N 3.12Å; C247-S250 PolarHBondContact O-OG 3.35Å; C247-S252 WeakPolarHBondContact SG-CB 3.46Å; C247-A253 WeakPolarHBondContact O-CB 3.21Å; C247-A253 PolarHBondContact O-N 2.89Å
248Q91.6Very high93.4Very high140 Ų14044.2 Ų44.265%0.65423%0.231SC*.Hα-helixtrans-61.3-34.8-179.4-71.9174.8-21.200113.5I244 R245 S250I244-Q248 HydrophobicContact CG2-CG 4.28Å; I244-Q248 WeakPolarHBondContact O-CG 3.25Å; I244-Q248 PolarHBondContact O-N 2.93Å; R245-Q248 PolarHBondContact O-N 2.9Å; Q248-S250 PolarHBondContact O-N 3.44Å
249Q91Very high93.7Very high99 Ų9940.3 Ų40.346%0.46321%0.213SC..THydrogen-bonded Turntrans-814.4179.4-71178.2-16.400113.9R245 C247R245-Q249 HydrophobicContact CG-CG 4.46Å; R245-Q249 WeakPolarHBondContact O-CB 3.29Å; R245-Q249 VanDerWaalsContact O-CG 3.26Å; R245-Q249 WeakPolarHBondContact O-CG 3.29Å; R245-Q249 PolarHBondContact O-N 3.1Å; C247-Q249 VanDerWaalsContact C-N 3.3Å; C247-Q249 PolarHBondContact O-N 2.83Å
250S94.3Very high93.9Very high11 Ų1137.5 Ų37.58%0.07720%0.203CC..SBendtrans-136175.3-173.271.20000111.6K246 C247 Q248 S252 A253 R258K246-S250 WeakPolarHBondContact O-CB 3.28Å; K246-S250 PolarHBondContact O-OG 3.12Å; C247-S250 PolarHBondContact O-N 2.63Å; C247-S250 VanDerWaalsContact O-N 3.12Å; C247-S250 PolarHBondContact O-OG 3.35Å; Q248-S250 PolarHBondContact O-N 3.44Å; S250-S252 PolarHBondContact O-N 3.33Å; S250-S252 VanDerWaalsContact O-N 3.13Å; S250-S252 WeakPolarHBondContact OG-CB 3.35Å; S250-S252 PolarHBondContact OG-N 3.1Å; S250-S252 PolarHBondContact OG-OG 3.37Å; S250-A253 PolarHBondContact O-N 3.41Å; S250-R258 WeakPolarHBondContact OG-CD 3.01Å
251T96.4Very high94Very high2 Ų234.3 Ų34.31%0.01219%0.189CC..THydrogen-bonded Turntrans-63.5-13.4173.355.90000114A253 S254 I255 V257 R258 L283 F288T251-A253 PolarHBondContact O-N 3.12Å; T251-S254 PolarHBondContact O-N 3.1Å; T251-S254 PolarHBondContact O-OG 3.49Å; T251-I255 WeakPolarHBondContact O-CG1 3.39Å; T251-I255 PolarHBondContact O-N 3.13Å; T251-V257 CarbonylContact C-O 3.47Å; T251-V257 VanDerWaalsContact C-O 3.26Å; T251-V257 VanDerWaalsContact CB-O 3.29Å; T251-V257 WeakPolarHBondContact CB-O 3.38Å; T251-V257 PolarHBondContact OG1-O 3.38Å; T251-R258 VanDerWaalsContact OG1-CA 3.29Å; T251-R258 WeakPolarHBondContact OG1-CA 3.17Å; T251-R258 WeakPolarHBondContact OG1-CB 3.44Å; T251-L283 VanDerWaalsContact CG2-O 3.28Å; T251-L283 WeakPolarHBondContact CG2-O 3.16Å; T251-F288 HydrophobicContact CG2-CB 4.15Å
252S96.2Very high94.1Very high0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-58.7-35.9176.9-63.60000112.9Q230 C247 S250 G256 V257 R258Q230-S252 PolarHBondContact NE2-OG 2.91Å; Q230-S252 VanDerWaalsContact NE2-OG 3.12Å; C247-S252 WeakPolarHBondContact SG-CB 3.46Å; S250-S252 PolarHBondContact O-N 3.33Å; S250-S252 VanDerWaalsContact O-N 3.13Å; S250-S252 WeakPolarHBondContact OG-CB 3.35Å; S250-S252 PolarHBondContact OG-N 3.1Å; S250-S252 PolarHBondContact OG-OG 3.37Å; S252-G256 VanDerWaalsContact O-CA 3.24Å; S252-G256 WeakPolarHBondContact O-CA 3.44Å; S252-G256 PolarHBondContact O-N 3.31Å; S252-G256 VanDerWaalsContact O-N 3.1Å; S252-V257 PolarHBondContact N-O 3.2Å; S252-R258 WeakPolarHBondContact OG-CD 3.21Å; S252-R258 VanDerWaalsContact OG-CG 3.23Å; S252-R258 WeakPolarHBondContact OG-CG 3.36Å; S252-R258 PolarHBondContact OG-NH1 3.37Å
253A94.6Very high94.3Very high52 Ų5230.3 Ų30.343%0.4316%0.159SC..Hα-helixtrans-71.4-34.8179.800000112.9C247 S250 T251C247-A253 WeakPolarHBondContact O-CB 3.21Å; C247-A253 PolarHBondContact O-N 2.89Å; S250-A253 PolarHBondContact O-N 3.41Å; T251-A253 PolarHBondContact O-N 3.12Å
254S96Very high94.6Very high75 Ų7529.3 Ų29.352%0.52416%0.155SC..Hα-helixtrans-91.8-40-174.453.90000113.8T251T251-S254 PolarHBondContact O-N 3.1Å; T251-S254 PolarHBondContact O-OG 3.49Å
255I97.1Very high94.7Very high11 Ų1128 Ų286%0.05615%0.146CC..Hα-helixtrans-123.95.4-174.661.8165.4000113.7T251 V257 L285 F288 G442 N445 I449T251-I255 WeakPolarHBondContact O-CG1 3.39Å; T251-I255 PolarHBondContact O-N 3.13Å; I255-V257 HydrophobicContact CD1-CG1 3.57Å; I255-V257 HydrophobicContact CG1-CG1 3.85Å; I255-V257 PolarHBondContact O-N 2.99Å; I255-V257 VanDerWaalsContact O-N 3.17Å; I255-L285 HydrophobicContact CD1-CD1 4Å; I255-L285 HydrophobicContact CG2-CD1 3.95Å; I255-F288 HydrophobicContact CD1-CD1 3.72Å; I255-F288 HydrophobicContact CD1-CE1 3.97Å; I255-F288 HydrophobicContact CD1-CG 4.28Å; I255-G442 WeakPolarHBondContact O-CA 3.23Å; I255-N445 HydrophobicContact CB-CB 4.22Å; I255-N445 WeakPolarHBondContact O-CB 3.3Å; I255-N445 PolarHBondContact O-ND2 3.11Å; I255-I449 HydrophobicContact CD1-CD1 4.21Å
256G97.3Very high94.6Very high0 Ų025.2 Ų25.20%014%0.136CC..SBendtrans70.39.2176.800000115.2M226 G227 S252 G442M226-G256 CarbonylContact C-O 3.56Å; G227-G256 PolarHBondContact N-O 2.92Å; S252-G256 VanDerWaalsContact O-CA 3.24Å; S252-G256 WeakPolarHBondContact O-CA 3.44Å; S252-G256 PolarHBondContact O-N 3.31Å; S252-G256 VanDerWaalsContact O-N 3.1Å; G256-G442 WeakPolarHBondContact O-CA 3.26Å
257V97.9Very high94.6Very high0 Ų024.4 Ų24.40%014%0.137CC..EExtended strand (participates in β ladder)trans-145.5146.4179.161.60000111L224 K225 M226 T251 S252 I255 F288L224-V257 HydrophobicContact CB-CG2 3.87Å; L224-V257 HydrophobicContact CD1-CG2 4.17Å; L224-V257 HydrophobicContact CD2-CG2 4.43Å; L224-V257 HydrophobicContact CG-CG2 4.39Å; K225-V257 WeakPolarHBondContact O-CA 3.14Å; M226-V257 HydrophobicContact CE-CG2 4.49Å; M226-V257 HydrophobicContact SD-CB 4.18Å; M226-V257 HydrophobicContact SD-CG2 3.63Å; T251-V257 CarbonylContact C-O 3.47Å; T251-V257 VanDerWaalsContact C-O 3.26Å; T251-V257 VanDerWaalsContact CB-O 3.29Å; T251-V257 WeakPolarHBondContact CB-O 3.38Å; T251-V257 PolarHBondContact OG1-O 3.38Å; S252-V257 PolarHBondContact N-O 3.2Å; I255-V257 HydrophobicContact CD1-CG1 3.57Å; I255-V257 HydrophobicContact CG1-CG1 3.85Å; I255-V257 PolarHBondContact O-N 2.99Å; I255-V257 VanDerWaalsContact O-N 3.17Å; V257-F288 HydrophobicContact CG1-CE1 3.92Å; V257-F288 HydrophobicContact CG1-CZ 3.83Å; V257-F288 HydrophobicContact CG2-CE2 4.48Å; V257-F288 HydrophobicContact CG2-CZ 3.97Å
258R96.9Very high94.4Very high13 Ų1328 Ų285%0.04916%0.156CC..EExtended strand (participates in β ladder)trans-145.7155.3169.271.6171.4178.1-101.7-8112.8L224 K225 S250 T251 S252L224-R258 CarbonylContact C-O 3.53Å; L224-R258 WeakPolarHBondContact CA-O 3.27Å; K225-R258 HydrophobicContact CB-CG 4.01Å; K225-R258 PolarHBondContact N-O 3.02Å; K225-R258 PolarHBondContact O-N 2.89Å; S250-R258 WeakPolarHBondContact OG-CD 3.01Å; T251-R258 VanDerWaalsContact OG1-CA 3.29Å; T251-R258 WeakPolarHBondContact OG1-CA 3.17Å; T251-R258 WeakPolarHBondContact OG1-CB 3.44Å; S252-R258 WeakPolarHBondContact OG-CD 3.21Å; S252-R258 VanDerWaalsContact OG-CG 3.23Å; S252-R258 WeakPolarHBondContact OG-CG 3.36Å; S252-R258 PolarHBondContact OG-NH1 3.37Å
259L96.7Very high94.2Very high2 Ų224.1 Ų24.11%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-70128.4172-170.8154.6000110.7L222 L224 M262 M275 G280 L283 F288 A291L222-L259 HydrophobicContact CD1-CD1 4.06Å; L222-L259 HydrophobicContact CD1-CG 4.14Å; L224-L259 HydrophobicContact CD2-CB 4.48Å; L259-M262 HydrophobicContact CD1-CB 4.26Å; L259-M262 HydrophobicContact CD1-SD 4.34Å; L259-M275 HydrophobicContact CD2-CB 4.27Å; L259-G280 WeakPolarHBondContact O-CA 3.34Å; L259-L283 HydrophobicContact CB-CD1 4.12Å; L259-L283 HydrophobicContact CD1-CD1 4.3Å; L259-F288 HydrophobicContact CB-CD2 4.46Å; L259-F288 HydrophobicContact CB-CE2 4.38Å; L259-A291 HydrophobicContact CD1-CB 3.81Å
260C94.2Very high94Very high14 Ų1420 Ų2010%0.09513%0.128CC..EExtended strand (participates in β ladder)trans-115-21.7174.1-81.70000113.6D223 K225 K277D223-C260 PolarHBondContact O-N 3.06Å; K225-C260 WeakPolarHBondContact CB-SG 3.48Å; C260-K277 VanDerWaalsContact O-CA 3.26Å; C260-K277 WeakPolarHBondContact O-CA 3.49Å; C260-K277 VanDerWaalsContact O-CB 3.24Å; C260-K277 WeakPolarHBondContact O-CB 3.4Å; C260-K277 PolarHBondContact O-N 2.89Å; C260-K277 VanDerWaalsContact O-N 3.13Å
261G94.1Very high93.7Very high0 Ų022 Ų220%014%0.136CC..EExtended strand (participates in β ladder)trans-170.6146174.900000110.4V30 D223 M275V30-G261 VanDerWaalsContact O-CA 3.27Å; V30-G261 WeakPolarHBondContact O-CA 3.43Å; D223-G261 PolarHBondContact N-O 3.45Å; D223-G261 PolarHBondContact O-N 2.88Å; G261-M275 CarbonylContact C-O 3.45Å; G261-M275 WeakPolarHBondContact CA-O 3.42Å
262M95Very high93.4Very high1 Ų122 Ų221%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-146.7140.5175.4-172.1169.571.600110.5V221 L222 L259 V264 M273 F274 M275 F295V221-M262 CarbonylContact O-C 3.52Å; V221-M262 VanDerWaalsContact O-CA 3.32Å; V221-M262 WeakPolarHBondContact O-CA 3.34Å; L222-M262 HydrophobicContact CD1-CB 4.03Å; L222-M262 HydrophobicContact CD1-CG 4.05Å; L222-M262 HydrophobicContact CD1-SD 4.06Å; L259-M262 HydrophobicContact CD1-CB 4.26Å; L259-M262 HydrophobicContact CD1-SD 4.34Å; M262-V264 HydrophobicContact CE-CG2 4.31Å; M262-V264 HydrophobicContact CG-CG2 3.68Å; M262-V264 HydrophobicContact SD-CG2 3.89Å; M262-M273 HydrophobicContact CE-CE 3.55Å; M262-F274 VanDerWaalsContact O-CA 3.29Å; M262-F274 WeakPolarHBondContact O-CA 3.46Å; M262-M275 HydrophobicContact CB-CB 4.11Å; M262-M275 HydrophobicContact CE-CB 4.15Å; M262-M275 HydrophobicContact CE-CG 3.61Å; M262-M275 HydrophobicContact CE-SD 3.11Å; M262-M275 WeakPolarHBondContact CE-SD 3.41Å; M262-M275 PolarHBondContact N-O 2.76Å; M262-M275 PolarHBondContact O-N 2.62Å; M262-F295 HydrophobicContact CG-CD2 3.86Å; M262-F295 HydrophobicContact SD-CB 3.63Å; M262-F295 HydrophobicContact SD-CD2 3.82Å; M262-F295 HydrophobicContact SD-CG 4.14Å
263Q94.1Very high93.2Very high2 Ų222 Ų221%0.00914%0.136CC..EExtended strand (participates in β ladder)trans-135.9120.6171.9177.7-175-68.700107.6H28 V30 P219 C220 V221 I272 M273 F274H28-Q263 PolarHBondContact ND1-NE2 2.95Å; V30-Q263 HydrophobicContact CG1-CB 3.42Å; V30-Q263 VanDerWaalsContact CG1-CB 3.42Å; P219-Q263 PolarHBondContact O-NE2 3.29Å; C220-Q263 CarbonylContact C-O 3.51Å; C220-Q263 VanDerWaalsContact CA-O 3.23Å; C220-Q263 WeakPolarHBondContact CA-O 3.44Å; V221-Q263 PolarHBondContact N-O 2.97Å; V221-Q263 PolarHBondContact O-N 3.06Å; Q263-I272 HydrophobicContact CG-CG2 3.42Å; Q263-I272 VanDerWaalsContact CG-CG2 3.42Å; Q263-M273 CarbonylContact C-O 3.6Å; Q263-M273 WeakPolarHBondContact CA-O 3.17Å; Q263-F274 HydrophobicContact CB-CD1 4.01Å; Q263-F274 HydrophobicContact CB-CE1 3.97Å; Q263-F274 HydrophobicContact CG-CD1 4.02Å; Q263-F274 HydrophobicContact CG-CE1 3.53Å; Q263-F274 HydrophobicContact CG-CZ 4.14Å
264V95.3Very high93Very high0 Ų020.1 Ų20.10%012%0.118CC..EExtended strand (participates in β ladder)trans-135.5133.6-176.9179.30000109.7M262 I272 M273 F295M262-V264 HydrophobicContact CE-CG2 4.31Å; M262-V264 HydrophobicContact CG-CG2 3.68Å; M262-V264 HydrophobicContact SD-CG2 3.89Å; V264-I272 CarbonylContact O-C 3.56Å; V264-I272 WeakPolarHBondContact O-CA 3.41Å; V264-M273 HydrophobicContact CB-CE 4.14Å; V264-M273 HydrophobicContact CG2-CE 4.28Å; V264-M273 PolarHBondContact N-O 2.75Å; V264-M273 PolarHBondContact O-N 2.9Å; V264-F295 HydrophobicContact CG2-CB 4.47Å; V264-F295 HydrophobicContact CG2-CD2 3.5Å; V264-F295 VanDerWaalsContact CG2-CD2 3.5Å; V264-F295 HydrophobicContact CG2-CE2 4.16Å; V264-F295 HydrophobicContact CG2-CG 4.4Å
265Y94.3Very high92.8Very high32 Ų3217 Ų1713%0.12510%0.095CC..EExtended strand (participates in β ladder)trans-86.7126.5174.5179.2-114.1000111.7L168 V218 C220 Q271 I272 D341L168-Y265 HydrophobicContact CD1-CD2 4.42Å; L168-Y265 HydrophobicContact CD1-CE2 4.23Å; V218-Y265 HydrophobicContact CG1-CD1 4.25Å; V218-Y265 HydrophobicContact CG1-CD2 3.92Å; V218-Y265 HydrophobicContact CG1-CG 3.68Å; C220-Y265 PolarHBondContact SG-N 2.76Å; Y265-Q271 WeakPolarHBondContact CD2-O 3.08Å; Y265-I272 HydrophobicContact CD2-CG1 4.13Å; Y265-D341 HydrophobicContact CD1-CB 4.49Å; Y265-D341 HydrophobicContact CE1-CB 4.16Å
266Q92.1Very high92.4Very high20 Ų2017.9 Ų17.99%0.09310%0.1CC..EExtended strand (participates in β ladder)trans-99.7107.2176.9-60-6822.700109.4D268 S269 G270 Q271 M273 H297 N298 G299Q266-D268 WeakPolarHBondContact CB-OD1 3.38Å; Q266-S269 WeakPolarHBondContact CB-OG 3.45Å; Q266-G270 VanDerWaalsContact O-CA 3.31Å; Q266-G270 WeakPolarHBondContact O-CA 3.2Å; Q266-G270 PolarHBondContact O-N 3.01Å; Q266-Q271 PolarHBondContact N-O 2.75Å; Q266-Q271 PolarHBondContact O-N 2.72Å; Q266-M273 HydrophobicContact CG-CB 4.36Å; Q266-H297 PolarHBondContact OE1-O 2.87Å; Q266-N298 CarbonylContact C-O 3.58Å; Q266-G299 VanDerWaalsContact OE1-CA 3.23Å
267S89.7Confident91.9Very high30 Ų3018.5 Ų18.521%0.2110%0.103CC..THydrogen-bonded Turntrans-76.8-17.5-171.969.30000115N298 R300S267-N298 WeakPolarHBondContact CB-O 3.31Å; S267-N298 PolarHBondContact N-O 2.86Å; S267-N298 PolarHBondContact OG-ND2 3.41Å; S267-N298 PolarHBondContact OG-O 2.91Å; S267-R300 PolarHBondContact O-NE 3.14Å; S267-R300 PolarHBondContact O-NH2 3.25Å
268D88.4Confident91.5Very high85 Ų8518.8 Ų18.846%0.45510%0.104SC..THydrogen-bonded Turntrans-70.7-46.4172.361.2-27.7000111.6Q266 R300Q266-D268 WeakPolarHBondContact CB-OD1 3.38Å; D268-R300 HydrophobicContact CB-CG 3.78Å
269S87.6Confident91.2Very high58 Ų5820.1 Ų20.141%0.40611%0.111SC..THydrogen-bonded Turntrans-100.6-15.6-172.856.80000113.3Q266 Q271Q266-S269 WeakPolarHBondContact CB-OG 3.45Å; S269-Q271 PolarHBondContact O-N 2.7Å; S269-Q271 PolarHBondContact OG-N 3.44Å
270G86.3Confident91Very high13 Ų1320 Ų2013%0.13411%0.11CC..THydrogen-bonded Turntrans67.524.6-172.100000112.5L168 Q266L168-G270 WeakPolarHBondContact CB-O 3.32Å; L168-G270 VanDerWaalsContact CD1-O 3.26Å; L168-G270 WeakPolarHBondContact CD1-O 3.34Å; L168-G270 PolarHBondContact N-O 2.92Å; Q266-G270 VanDerWaalsContact O-CA 3.31Å; Q266-G270 WeakPolarHBondContact O-CA 3.2Å; Q266-G270 PolarHBondContact O-N 3.01Å
271Q88.4Confident90.8Very high51 Ų5120.3 Ų20.324%0.23811%0.109CC..EExtended strand (participates in β ladder)trans-103.9156.4-177.3-60.2-171.8-44.100111.9F166 S167 Y265 Q266 S269F166-Q271 CarbonylContact O-C 3.58Å; F166-Q271 WeakPolarHBondContact O-CA 3.46Å; F166-Q271 WeakPolarHBondContact O-CB 3.4Å; S167-Q271 PolarHBondContact OG-NE2 3.02Å; Y265-Q271 WeakPolarHBondContact CD2-O 3.08Å; Q266-Q271 PolarHBondContact N-O 2.75Å; Q266-Q271 PolarHBondContact O-N 2.72Å; S269-Q271 PolarHBondContact O-N 2.7Å; S269-Q271 PolarHBondContact OG-N 3.44Å
272I89.1Confident90.7Very high3 Ų325.3 Ų25.32%0.01513%0.131CC..EExtended strand (participates in β ladder)trans-104.4123.4166.2-63.9170000109Y165 F166 L168 I177 Q263 V264 Y265 F274Y165-I272 WeakPolarHBondContact CA-O 3.2Å; F166-I272 PolarHBondContact N-O 3.44Å; F166-I272 PolarHBondContact O-N 3.31Å; L168-I272 HydrophobicContact CD1-CD1 3.77Å; L168-I272 HydrophobicContact CD1-CG1 3.65Å; I177-I272 HydrophobicContact CD1-CD1 4.16Å; I177-I272 HydrophobicContact CG1-CD1 4.1Å; Q263-I272 HydrophobicContact CG-CG2 3.42Å; Q263-I272 VanDerWaalsContact CG-CG2 3.42Å; V264-I272 CarbonylContact O-C 3.56Å; V264-I272 WeakPolarHBondContact O-CA 3.41Å; Y265-I272 HydrophobicContact CD2-CG1 4.13Å; I272-F274 HydrophobicContact CB-CE2 3.87Å; I272-F274 HydrophobicContact CB-CZ 4.12Å; I272-F274 HydrophobicContact CG2-CD1 4.39Å; I272-F274 HydrophobicContact CG2-CD2 3.99Å; I272-F274 HydrophobicContact CG2-CE1 3.88Å; I272-F274 HydrophobicContact CG2-CE2 3.42Å; I272-F274 VanDerWaalsContact CG2-CE2 3.42Å; I272-F274 HydrophobicContact CG2-CG 4.45Å; I272-F274 HydrophobicContact CG2-CZ 3.36Å
273M91.3Very high90.8Very high1 Ų126.3 Ų26.31%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-89.9130.6173.2-176-176.967.500110V163 L164 Y165 M262 Q263 V264 Q266 Q294V163-M273 HydrophobicContact CG1-CG 3.65Å; V163-M273 HydrophobicContact CG1-SD 4.18Å; L164-M273 WeakPolarHBondContact O-CA 3.19Å; Y165-M273 HydrophobicContact CD1-CB 4.17Å; Y165-M273 HydrophobicContact CD1-CG 4.35Å; Y165-M273 HydrophobicContact CE1-CB 3.94Å; Y165-M273 HydrophobicContact CE1-CG 3.81Å; Y165-M273 HydrophobicContact CE1-SD 4.14Å; M262-M273 HydrophobicContact CE-CE 3.55Å; Q263-M273 CarbonylContact C-O 3.6Å; Q263-M273 WeakPolarHBondContact CA-O 3.17Å; V264-M273 HydrophobicContact CB-CE 4.14Å; V264-M273 HydrophobicContact CG2-CE 4.28Å; V264-M273 PolarHBondContact N-O 2.75Å; V264-M273 PolarHBondContact O-N 2.9Å; Q266-M273 HydrophobicContact CG-CB 4.36Å; M273-Q294 HydrophobicContact CE-CB 3.92Å
274F90.9Very high90.9Very high12 Ų1230.7 Ų30.75%0.05316%0.163CC..EExtended strand (participates in β ladder)trans-119.2132.9177.8-62.8-87.7000111.8L164 F166 N180 M262 Q263 I272L164-F274 HydrophobicContact CB-CB 4.4Å; L164-F274 PolarHBondContact N-O 3.29Å; L164-F274 PolarHBondContact O-N 2.87Å; F166-F274 HydrophobicContact CB-CE2 4.05Å; N180-F274 HydrophobicContact CB-CD1 4.11Å; N180-F274 HydrophobicContact CB-CE1 3.68Å; N180-F274 HydrophobicContact CB-CZ 4.39Å; M262-F274 VanDerWaalsContact O-CA 3.29Å; M262-F274 WeakPolarHBondContact O-CA 3.46Å; Q263-F274 HydrophobicContact CB-CD1 4.01Å; Q263-F274 HydrophobicContact CB-CE1 3.97Å; Q263-F274 HydrophobicContact CG-CD1 4.02Å; Q263-F274 HydrophobicContact CG-CE1 3.53Å; Q263-F274 HydrophobicContact CG-CZ 4.14Å; I272-F274 HydrophobicContact CB-CE2 3.87Å; I272-F274 HydrophobicContact CB-CZ 4.12Å; I272-F274 HydrophobicContact CG2-CD1 4.39Å; I272-F274 HydrophobicContact CG2-CD2 3.99Å; I272-F274 HydrophobicContact CG2-CE1 3.88Å; I272-F274 HydrophobicContact CG2-CE2 3.42Å; I272-F274 VanDerWaalsContact CG2-CE2 3.42Å; I272-F274 HydrophobicContact CG2-CG 4.45Å; I272-F274 HydrophobicContact CG2-CZ 3.36Å
275M91.4Very high90.9Very high8 Ų834.3 Ų34.34%0.03918%0.182CC..EExtended strand (participates in β ladder)trans-122.3124.5167.5-57.8-178.776.100109.6V163 L259 G261 M262 H279V163-M275 HydrophobicContact CG1-CG 4.18Å; V163-M275 HydrophobicContact CG2-CE 4.07Å; V163-M275 HydrophobicContact CG2-CG 4.12Å; L259-M275 HydrophobicContact CD2-CB 4.27Å; G261-M275 CarbonylContact C-O 3.45Å; G261-M275 WeakPolarHBondContact CA-O 3.42Å; M262-M275 HydrophobicContact CB-CB 4.11Å; M262-M275 HydrophobicContact CE-CB 4.15Å; M262-M275 HydrophobicContact CE-CG 3.61Å; M262-M275 HydrophobicContact CE-SD 3.11Å; M262-M275 WeakPolarHBondContact CE-SD 3.41Å; M262-M275 PolarHBondContact N-O 2.76Å; M262-M275 PolarHBondContact O-N 2.62Å; M275-H279 WeakPolarHBondContact CE-CE1 3.33Å; M275-H279 WeakPolarHBondContact CE-ND1 3.07Å
276N88.8Confident91.1Very high31 Ų3136.1 Ų36.117%0.16620%0.204CC..EExtended strand (participates in β ladder)trans-92.3172.6-178.269.243.3000112.2Y278 H279 G280N276-Y278 VanDerWaalsContact C-N 3.25Å; N276-Y278 PolarHBondContact O-N 2.79Å; N276-Y278 WeakPolarHBondContact OD1-CA 3.48Å; N276-Y278 WeakPolarHBondContact OD1-CB 3.21Å; N276-Y278 PolarHBondContact OD1-N 2.89Å; N276-H279 PolarHBondContact O-N 3.25Å; N276-H279 PolarHBondContact OD1-N 3.4Å; N276-G280 PolarHBondContact O-N 2.89Å
277K88Confident91.3Very high12 Ų1236.1 Ų36.15%0.05221%0.209CC..Hα-helixtrans-58.7-29.317972.4-169.3-178.3-172.10114.9H33 W182 C260 R281H33-K277 PolarHBondContact CE1-NZ 3.33Å; H33-K277 PolarHBondContact NE2-NZ 3.01Å; W182-K277 HydrophobicContact CZ2-CD 4.25Å; W182-K277 VanDerWaalsContact CZ2-CE 3.41Å; C260-K277 VanDerWaalsContact O-CA 3.26Å; C260-K277 WeakPolarHBondContact O-CA 3.49Å; C260-K277 VanDerWaalsContact O-CB 3.24Å; C260-K277 WeakPolarHBondContact O-CB 3.4Å; C260-K277 PolarHBondContact O-N 2.89Å; C260-K277 VanDerWaalsContact O-N 3.13Å; K277-R281 VanDerWaalsContact O-CG 3.25Å; K277-R281 WeakPolarHBondContact O-CG 3.45Å; K277-R281 PolarHBondContact O-N 3.11Å
278Y89.4Confident91.7Very high7 Ų734.8 Ų34.83%0.02720%0.2CC..Hα-helixtrans-74.4-38.9-178.6-60.8-82.2000110.3D154 Q157 Q158 W182 N276 R281D154-Y278 PolarHBondContact OD1-OH 2.87Å; Q157-Y278 HydrophobicContact CB-CE1 4.2Å; Q157-Y278 HydrophobicContact CB-CE2 4.39Å; Q157-Y278 PolarHBondContact OE1-OH 3.44Å; Q158-Y278 HydrophobicContact CB-CD1 4.28Å; Q158-Y278 HydrophobicContact CG-CD1 4.32Å; W182-Y278 HydrophobicContact CE3-CE2 4.33Å; W182-Y278 AromaticContact CH2-CE2 3.47Å; W182-Y278 HydrophobicContact CH2-CE2 3.47Å; W182-Y278 VanDerWaalsContact CH2-CE2 3.47Å; W182-Y278 HydrophobicContact CZ2-CE2 4.27Å; W182-Y278 HydrophobicContact CZ3-CD2 4.33Å; W182-Y278 AromaticContact CZ3-CE2 3.5Å; W182-Y278 HydrophobicContact CZ3-CE2 3.5Å; W182-Y278 VanDerWaalsContact CZ3-CE2 3.5Å; N276-Y278 VanDerWaalsContact C-N 3.25Å; N276-Y278 PolarHBondContact O-N 2.79Å; N276-Y278 WeakPolarHBondContact OD1-CA 3.48Å; N276-Y278 WeakPolarHBondContact OD1-CB 3.21Å; N276-Y278 PolarHBondContact OD1-N 2.89Å; Y278-R281 PolarHBondContact O-N 2.84Å
279H89.6Confident92.1Very high41 Ų4134.2 Ų34.219%0.1919%0.193CC..Hα-helixtrans-62.6-48.6169.4-167.2-64.9000110.5A161 M275 N276 R281 K282A161-H279 HydrophobicContact CB-CB 4.23Å; M275-H279 WeakPolarHBondContact CE-CE1 3.33Å; M275-H279 WeakPolarHBondContact CE-ND1 3.07Å; N276-H279 PolarHBondContact O-N 3.25Å; N276-H279 PolarHBondContact OD1-N 3.4Å; H279-R281 PolarHBondContact O-N 3.12Å; H279-K282 PolarHBondContact O-N 2.74Å
280G92.3Very high92.6Very high0 Ų035.9 Ų35.90%020%0.195CC..Hα-helixtrans-56.6-34178.800000114.3L259 N276 K282 L283L259-G280 WeakPolarHBondContact O-CA 3.34Å; N276-G280 PolarHBondContact O-N 2.89Å; G280-K282 VanDerWaalsContact C-N 3.34Å; G280-K282 PolarHBondContact O-N 3.15Å; G280-L283 PolarHBondContact O-N 2.96Å
281R91.4Very high93.1Very high19 Ų1935.4 Ų35.47%0.07219%0.189CC..Hα-helixtrans-68-28.7175.1-74.7172.6-159.8178.48113.7K277 Y278 H279 L283K277-R281 VanDerWaalsContact O-CG 3.25Å; K277-R281 WeakPolarHBondContact O-CG 3.45Å; K277-R281 PolarHBondContact O-N 3.11Å; Y278-R281 PolarHBondContact O-N 2.84Å; H279-R281 PolarHBondContact O-N 3.12Å; R281-L283 VanDerWaalsContact C-N 3.31Å
282K92.4Very high93.6Very high106 Ų10633 Ų3346%0.46118%0.178SC..Hα-helixtrans-81.5-11.7-179.4-66.8-178.5-178.5179.70113.4Q158 Q159 A161 H279 G280 T284Q158-K282 WeakPolarHBondContact O-CE 3.4Å; Q158-K282 PolarHBondContact O-NZ 2.92Å; Q159-K282 PolarHBondContact O-NZ 3.15Å; A161-K282 HydrophobicContact CB-CD 4.25Å; H279-K282 PolarHBondContact O-N 2.74Å; G280-K282 VanDerWaalsContact C-N 3.34Å; G280-K282 PolarHBondContact O-N 3.15Å; K282-T284 PolarHBondContact O-N 3.17Å
283L95.2Very high94Very high21 Ų2136.8 Ų36.811%0.1119%0.193CC..  trans-66.1135.9-175.2-63-180000110.8T251 L259 G280 R281 A291T251-L283 VanDerWaalsContact CG2-O 3.28Å; T251-L283 WeakPolarHBondContact CG2-O 3.16Å; L259-L283 HydrophobicContact CB-CD1 4.12Å; L259-L283 HydrophobicContact CD1-CD1 4.3Å; G280-L283 PolarHBondContact O-N 2.96Å; R281-L283 VanDerWaalsContact C-N 3.31Å; L283-A291 HydrophobicContact CD1-CB 3.94Å
284T96.6Very high94.2Very high94 Ų9439.3 Ų39.358%0.57721%0.205SC*.  trans-82.6177.8162.263.80000109.5K282 A286 G287 F288K282-T284 PolarHBondContact O-N 3.17Å; T284-A286 VanDerWaalsContact C-N 3.3Å; T284-A286 PolarHBondContact O-N 2.85Å; T284-G287 PolarHBondContact O-N 3.18Å; T284-G287 PolarHBondContact OG1-N 3.05Å; T284-F288 WeakPolarHBondContact O-CB 3.48Å; T284-F288 PolarHBondContact O-N 2.79Å
285L96.6Very high94.5Very high77 Ų7738.7 Ų38.740%0.40320%0.202SC..Hα-helixtrans-55.5-46.4172.9176.457.1000111.8I255 F288 K289 I449I255-L285 HydrophobicContact CD1-CD1 4Å; I255-L285 HydrophobicContact CG2-CD1 3.95Å; L285-F288 PolarHBondContact O-N 3Å; L285-K289 WeakPolarHBondContact O-CG 3.48Å; L285-K289 PolarHBondContact O-N 2.84Å; L285-I449 HydrophobicContact CD1-CD1 4.16Å
286A97.1Very high94.8Very high69 Ų6938.3 Ų38.357%0.5720%0.2SC*.Hα-helixtrans-61.7-45.4177.100000111.5T284 F288 K289 E290T284-A286 VanDerWaalsContact C-N 3.3Å; T284-A286 PolarHBondContact O-N 2.85Å; A286-F288 VanDerWaalsContact C-N 3.27Å; A286-F288 PolarHBondContact O-N 3.43Å; A286-K289 PolarHBondContact O-N 2.74Å; A286-E290 PolarHBondContact O-N 3.41Å
287G96.9Very high95.1Very high21 Ų2138.6 Ų38.622%0.21620%0.2CC..Hα-helixtrans-63.4-31.4176.300000113.5T284 A291T284-G287 PolarHBondContact O-N 3.18Å; T284-G287 PolarHBondContact OG1-N 3.05Å; G287-A291 WeakPolarHBondContact O-CB 3.33Å; G287-A291 PolarHBondContact O-N 3.5Å
288F97.9Very high95.3Very high2 Ų238.7 Ų38.71%0.00920%0.202CC..Hα-helixtrans-70.9-41.5174-178.1-99.8000112.1L224 T251 I255 V257 L259 T284 L285 A286 E290 A291 L292 L446 I449L224-F288 HydrophobicContact CD2-CE2 3.89Å; L224-F288 HydrophobicContact CD2-CZ 4.1Å; T251-F288 HydrophobicContact CG2-CB 4.15Å; I255-F288 HydrophobicContact CD1-CD1 3.72Å; I255-F288 HydrophobicContact CD1-CE1 3.97Å; I255-F288 HydrophobicContact CD1-CG 4.28Å; V257-F288 HydrophobicContact CG1-CE1 3.92Å; V257-F288 HydrophobicContact CG1-CZ 3.83Å; V257-F288 HydrophobicContact CG2-CE2 4.48Å; V257-F288 HydrophobicContact CG2-CZ 3.97Å; L259-F288 HydrophobicContact CB-CD2 4.46Å; L259-F288 HydrophobicContact CB-CE2 4.38Å; T284-F288 WeakPolarHBondContact O-CB 3.48Å; T284-F288 PolarHBondContact O-N 2.79Å; L285-F288 PolarHBondContact O-N 3Å; A286-F288 VanDerWaalsContact C-N 3.27Å; A286-F288 PolarHBondContact O-N 3.43Å; F288-E290 VanDerWaalsContact C-N 3.33Å; F288-A291 PolarHBondContact O-N 3.12Å; F288-L292 HydrophobicContact CD1-CD1 4.07Å; F288-L292 HydrophobicContact CE1-CD1 3.53Å; F288-L292 HydrophobicContact CE1-CG 4.15Å; F288-L292 HydrophobicContact CZ-CD1 4.01Å; F288-L292 HydrophobicContact CZ-CD2 4.47Å; F288-L292 HydrophobicContact CZ-CG 4.27Å; F288-L292 PolarHBondContact O-N 2.9Å; F288-L446 HydrophobicContact CE1-CD1 4.41Å; F288-L446 HydrophobicContact CZ-CD1 4.32Å; F288-I449 HydrophobicContact CD1-CD1 4.1Å; F288-I449 HydrophobicContact CE1-CD1 4.09Å
289K97.6Very high95.4Very high73 Ų7339.5 Ų39.532%0.31721%0.211SC..Hα-helixtrans-60.1-44.4172.9-66.4-166.8-179.5-163.10111.3L285 A286 L292 Y293 I449L285-K289 WeakPolarHBondContact O-CG 3.48Å; L285-K289 PolarHBondContact O-N 2.84Å; A286-K289 PolarHBondContact O-N 2.74Å; K289-L292 WeakPolarHBondContact O-CB 3.37Å; K289-L292 PolarHBondContact O-N 3.12Å; K289-Y293 PolarHBondContact O-N 3.38Å; K289-I449 HydrophobicContact CB-CG2 4.5Å; K289-I449 HydrophobicContact CD-CG2 4.44Å; K289-I449 HydrophobicContact CG-CG2 3.83Å
290E96.9Very high95.5Very high92 Ų9245.7 Ų45.743%0.4323%0.233SC..Hα-helixtrans-61.8-43.4175.7-179.455.3-148.300111.8A286 F288 L292 Y293 Q294A286-E290 PolarHBondContact O-N 3.41Å; F288-E290 VanDerWaalsContact C-N 3.33Å; E290-L292 VanDerWaalsContact C-N 3.28Å; E290-L292 PolarHBondContact O-N 3.43Å; E290-Y293 WeakPolarHBondContact O-CB 3.33Å; E290-Y293 PolarHBondContact O-N 3.17Å; E290-Y293 VanDerWaalsContact O-N 3.13Å; E290-Q294 WeakPolarHBondContact O-CG 3.38Å; E290-Q294 PolarHBondContact O-N 3.1Å; E290-Q294 WeakPolarHBondContact OE1-CG 3.48Å; E290-Q294 PolarHBondContact OE1-NE2 3.28Å
291A97.4Very high95.5Very high3 Ų352.6 Ų52.63%0.02526%0.259CS..Hα-helixtrans-62.1-35.7175.800000112.5L259 L283 G287 F288 F295L259-A291 HydrophobicContact CD1-CB 3.81Å; L283-A291 HydrophobicContact CD1-CB 3.94Å; G287-A291 WeakPolarHBondContact O-CB 3.33Å; G287-A291 PolarHBondContact O-N 3.5Å; F288-A291 PolarHBondContact O-N 3.12Å; A291-F295 WeakPolarHBondContact O-CB 3.27Å; A291-F295 PolarHBondContact O-N 3.27Å
292L98.1Very high95.6Very high1 Ų152.3 Ų52.31%0.00526%0.259CS..Hα-helixtrans-68.8-39.9172.5-72.1176000112.1L222 F288 K289 E290 F295 F296 L446 I449 I450 L453L222-L292 HydrophobicContact CD2-CD2 3.63Å; F288-L292 HydrophobicContact CD1-CD1 4.07Å; F288-L292 HydrophobicContact CE1-CD1 3.53Å; F288-L292 HydrophobicContact CE1-CG 4.15Å; F288-L292 HydrophobicContact CZ-CD1 4.01Å; F288-L292 HydrophobicContact CZ-CD2 4.47Å; F288-L292 HydrophobicContact CZ-CG 4.27Å; F288-L292 PolarHBondContact O-N 2.9Å; K289-L292 WeakPolarHBondContact O-CB 3.37Å; K289-L292 PolarHBondContact O-N 3.12Å; E290-L292 VanDerWaalsContact C-N 3.28Å; E290-L292 PolarHBondContact O-N 3.43Å; L292-F295 WeakPolarHBondContact O-CB 3.49Å; L292-F295 PolarHBondContact O-N 3.26Å; L292-F296 WeakPolarHBondContact O-CD2 3.44Å; L292-F296 PolarHBondContact O-N 2.91Å; L292-L446 HydrophobicContact CD1-CD1 3.89Å; L292-L446 HydrophobicContact CD2-CD1 4.3Å; L292-I449 HydrophobicContact CD1-CB 4.4Å; L292-I449 HydrophobicContact CD1-CG2 3.6Å; L292-I450 HydrophobicContact CD1-CG1 4.33Å; L292-L453 HydrophobicContact CB-CD1 3.94Å
293Y97.3Very high95.7Very high83 Ų8347.9 Ų47.933%0.32524%0.239SC..Hα-helixtrans-57.8-50.2172.6179.1-88.6000110.6K289 E290 F295 F296 H297 L302 L453K289-Y293 PolarHBondContact O-N 3.38Å; E290-Y293 WeakPolarHBondContact O-CB 3.33Å; E290-Y293 PolarHBondContact O-N 3.17Å; E290-Y293 VanDerWaalsContact O-N 3.13Å; Y293-F295 VanDerWaalsContact C-N 3.25Å; Y293-F295 PolarHBondContact O-N 3.22Å; Y293-F296 CarbonylContact O-C 3.26Å; Y293-F296 PolarHBondContact O-N 3.09Å; Y293-F296 VanDerWaalsContact O-N 3.09Å; Y293-H297 HydrophobicContact CD1-CB 4.4Å; Y293-H297 HydrophobicContact CE1-CB 4.16Å; Y293-H297 AromaticContact CE1-CD2 3.73Å; Y293-H297 AromaticContact CZ-CD2 3.79Å; Y293-H297 WeakPolarHBondContact O-CB 3.16Å; Y293-H297 PolarHBondContact O-N 3.39Å; Y293-H297 PolarHBondContact OH-CD2 2.96Å; Y293-L302 HydrophobicContact CD2-CD1 4.29Å; Y293-L302 HydrophobicContact CD2-CD2 4Å; Y293-L302 HydrophobicContact CE2-CB 4.35Å; Y293-L302 HydrophobicContact CE2-CD1 4.31Å; Y293-L302 HydrophobicContact CE2-CD2 3.71Å; Y293-L302 HydrophobicContact CE2-CG 4.37Å; Y293-L453 HydrophobicContact CD2-CD2 4.22Å
294Q96.4Very high95.6Very high53 Ų5350 Ų5025%0.24825%0.249CC..Hα-helixtrans-61.2-32.5176.2-68.4175.86.700112.7M273 E290 F296 H297M273-Q294 HydrophobicContact CE-CB 3.92Å; E290-Q294 WeakPolarHBondContact O-CG 3.38Å; E290-Q294 PolarHBondContact O-N 3.1Å; E290-Q294 WeakPolarHBondContact OE1-CG 3.48Å; E290-Q294 PolarHBondContact OE1-NE2 3.28Å; Q294-F296 VanDerWaalsContact C-N 3.31Å; Q294-F296 PolarHBondContact O-N 3.13Å; Q294-H297 PolarHBondContact O-N 3.35Å
295F97.9Very high95.4Very high0 Ų048.9 Ų48.90%024%0.237CC..Hα-helixtrans-62.9-37175-178.2-114.2000112.8C220 L222 M262 V264 A291 L292 Y293 I336 Y338C220-F295 HydrophobicContact CB-CE2 4.26Å; L222-F295 HydrophobicContact CB-CD1 4.12Å; L222-F295 HydrophobicContact CB-CD2 3.65Å; L222-F295 HydrophobicContact CB-CE1 3.86Å; L222-F295 HydrophobicContact CB-CE2 3.4Å; L222-F295 HydrophobicContact CB-CG 4.02Å; L222-F295 HydrophobicContact CB-CZ 3.49Å; L222-F295 VanDerWaalsContact CB-CZ 3.49Å; L222-F295 HydrophobicContact CD2-CB 4.39Å; L222-F295 HydrophobicContact CD2-CD1 3.74Å; L222-F295 HydrophobicContact CD2-CD2 4.36Å; L222-F295 HydrophobicContact CD2-CE1 4.09Å; L222-F295 HydrophobicContact CD2-CG 3.88Å; L222-F295 HydrophobicContact CG-CD2 4.43Å; L222-F295 HydrophobicContact CG-CG 4.43Å; M262-F295 HydrophobicContact CG-CD2 3.86Å; M262-F295 HydrophobicContact SD-CB 3.63Å; M262-F295 HydrophobicContact SD-CD2 3.82Å; M262-F295 HydrophobicContact SD-CG 4.14Å; V264-F295 HydrophobicContact CG2-CB 4.47Å; V264-F295 HydrophobicContact CG2-CD2 3.5Å; V264-F295 VanDerWaalsContact CG2-CD2 3.5Å; V264-F295 HydrophobicContact CG2-CE2 4.16Å; V264-F295 HydrophobicContact CG2-CG 4.4Å; A291-F295 WeakPolarHBondContact O-CB 3.27Å; A291-F295 PolarHBondContact O-N 3.27Å; L292-F295 WeakPolarHBondContact O-CB 3.49Å; L292-F295 PolarHBondContact O-N 3.26Å; Y293-F295 VanDerWaalsContact C-N 3.25Å; Y293-F295 PolarHBondContact O-N 3.22Å; F295-I336 HydrophobicContact CE1-CB 4.01Å; F295-I336 HydrophobicContact CE1-CG2 3.71Å; F295-I336 HydrophobicContact CZ-CB 4.26Å; F295-I336 HydrophobicContact CZ-CG2 4.16Å; F295-Y338 HydrophobicContact CD1-CE1 4.15Å; F295-Y338 HydrophobicContact CD2-CE1 4.35Å; F295-Y338 AromaticContact CE1-CD1 3.9Å; F295-Y338 HydrophobicContact CE1-CD1 3.9Å; F295-Y338 AromaticContact CE1-CE1 3.6Å; F295-Y338 HydrophobicContact CE1-CE1 3.6Å; F295-Y338 HydrophobicContact CE2-CD1 4.43Å; F295-Y338 AromaticContact CE2-CE1 3.8Å; F295-Y338 HydrophobicContact CE2-CE1 3.8Å; F295-Y338 AromaticContact CZ-CD1 3.67Å; F295-Y338 HydrophobicContact CZ-CD1 3.67Å; F295-Y338 AromaticContact CZ-CE1 3.41Å; F295-Y338 HydrophobicContact CZ-CE1 3.41Å; F295-Y338 VanDerWaalsContact CZ-CE1 3.41Å; F295-Y338 WeakPolarHBondContact O-CE1 3.35Å; F295-Y338 PolarHBondContact O-OH 2.86Å
296F97.2Very high95.4Very high0 Ų045.3 Ų45.30%022%0.218CC..Hα-helixtrans-96-4.8-179.8-65.2-66.7000113.4L292 Y293 Q294 L302 R303 L306 L307 V310 Y338 I450L292-F296 WeakPolarHBondContact O-CD2 3.44Å; L292-F296 PolarHBondContact O-N 2.91Å; Y293-F296 CarbonylContact O-C 3.26Å; Y293-F296 PolarHBondContact O-N 3.09Å; Y293-F296 VanDerWaalsContact O-N 3.09Å; Q294-F296 VanDerWaalsContact C-N 3.31Å; Q294-F296 PolarHBondContact O-N 3.13Å; F296-L302 HydrophobicContact CB-CD1 3.52Å; F296-R303 VanDerWaalsContact O-CB 3.27Å; F296-R303 WeakPolarHBondContact O-CB 2.98Å; F296-R303 PolarHBondContact O-N 3.38Å; F296-L306 HydrophobicContact CD1-CB 4.03Å; F296-L306 HydrophobicContact CD1-CD1 4.11Å; F296-L306 HydrophobicContact CE1-CB 4.28Å; F296-L307 HydrophobicContact CB-CD2 4.27Å; F296-L307 HydrophobicContact CD1-CD2 4.09Å; F296-L307 HydrophobicContact CD2-CD2 3.64Å; F296-L307 HydrophobicContact CE1-CD2 4.34Å; F296-L307 HydrophobicContact CE2-CD2 3.92Å; F296-L307 HydrophobicContact CG-CD2 3.73Å; F296-L307 HydrophobicContact CZ-CD2 4.27Å; F296-V310 HydrophobicContact CE1-CG2 4Å; F296-V310 HydrophobicContact CZ-CG1 4.4Å; F296-V310 HydrophobicContact CZ-CG2 4.15Å; F296-Y338 HydrophobicContact CD1-CE1 4.32Å; F296-I450 HydrophobicContact CE2-CD1 4.41Å; F296-I450 HydrophobicContact CE2-CG1 4.49Å
297H95.1Very high95.4Very high37 Ų3742 Ų4217%0.17119%0.191CC..BIsolated β-bridgetrans-91131.4177.3-164.2-87.7000111Q266 Y293 Q294 G299 R301 L302Q266-H297 PolarHBondContact OE1-O 2.87Å; Y293-H297 HydrophobicContact CD1-CB 4.4Å; Y293-H297 HydrophobicContact CE1-CB 4.16Å; Y293-H297 AromaticContact CE1-CD2 3.73Å; Y293-H297 AromaticContact CZ-CD2 3.79Å; Y293-H297 WeakPolarHBondContact O-CB 3.16Å; Y293-H297 PolarHBondContact O-N 3.39Å; Y293-H297 PolarHBondContact OH-CD2 2.96Å; Q294-H297 PolarHBondContact O-N 3.35Å; H297-G299 WeakPolarHBondContact ND1-CA 3.47Å; H297-G299 PolarHBondContact ND1-N 3.06Å; H297-R301 PolarHBondContact CD2-O 3.43Å; H297-L302 PolarHBondContact CD2-N 3.38Å; H297-L302 VanDerWaalsContact CD2-N 3.3Å
298N92.8Very high95.3Very high14 Ų1443.6 Ų43.68%0.07520%0.199CC..  trans-101.719-177.474.7-4.8000114Q266 S267 R300 R301 R303Q266-N298 CarbonylContact C-O 3.58Å; S267-N298 WeakPolarHBondContact CB-O 3.31Å; S267-N298 PolarHBondContact N-O 2.86Å; S267-N298 PolarHBondContact OG-ND2 3.41Å; S267-N298 PolarHBondContact OG-O 2.91Å; N298-R300 PolarHBondContact O-N 3.43Å; N298-R300 PolarHBondContact OD1-N 2.94Å; N298-R301 PolarHBondContact N-O 3.02Å; N298-R301 PolarHBondContact OD1-N 3.34Å; N298-R301 PolarHBondContact OD1-O 3.42Å; N298-R301 VanDerWaalsContact OD1-O 3.04Å; N298-R303 HydrophobicContact CB-CG 4.16Å
299G91.1Very high95.3Very high23 Ų2344.5 Ų44.524%0.23721%0.205CC..SBendtrans87.1-18.9-178.700000113.4Q266 H297Q266-G299 VanDerWaalsContact OE1-CA 3.23Å; H297-G299 WeakPolarHBondContact ND1-CA 3.47Å; H297-G299 PolarHBondContact ND1-N 3.06Å
300R90.7Very high95.3Very high172 Ų17241 Ų4165%0.64919%0.19SC*.SBendtrans-110.4-39.4176.5-58.7-178.4-174.8-129.6-1.5113S267 D268 N298S267-R300 PolarHBondContact O-NE 3.14Å; S267-R300 PolarHBondContact O-NH2 3.25Å; D268-R300 HydrophobicContact CB-CG 3.78Å; N298-R300 PolarHBondContact O-N 3.43Å; N298-R300 PolarHBondContact OD1-N 2.94Å
301R92.7Very high95.3Very high145 Ų14536.7 Ų36.755%0.54717%0.17SC..SBendtrans-154.5160.8-178.965.5176.2-171.8-101.2-0.8111.1H297 N298H297-R301 PolarHBondContact CD2-O 3.43Å; N298-R301 PolarHBondContact N-O 3.02Å; N298-R301 PolarHBondContact OD1-N 3.34Å; N298-R301 PolarHBondContact OD1-O 3.42Å; N298-R301 VanDerWaalsContact OD1-O 3.04Å
302L93.9Very high95.3Very high13 Ų1343.3 Ų43.37%0.06819%0.194CC..BIsolated β-bridgetrans-70.4130.7163.8-176.658.2000109.5Y293 F296 H297 H304Y293-L302 HydrophobicContact CD2-CD1 4.29Å; Y293-L302 HydrophobicContact CD2-CD2 4Å; Y293-L302 HydrophobicContact CE2-CB 4.35Å; Y293-L302 HydrophobicContact CE2-CD1 4.31Å; Y293-L302 HydrophobicContact CE2-CD2 3.71Å; Y293-L302 HydrophobicContact CE2-CG 4.37Å; F296-L302 HydrophobicContact CB-CD1 3.52Å; H297-L302 PolarHBondContact CD2-N 3.38Å; H297-L302 VanDerWaalsContact CD2-N 3.3Å; L302-H304 WeakPolarHBondContact CB-NE2 3.36Å; L302-H304 WeakPolarHBondContact CD2-CE1 3.12Å; L302-H304 WeakPolarHBondContact CD2-NE2 3.49Å; L302-H304 WeakPolarHBondContact CG-NE2 3.24Å; L302-H304 PolarHBondContact O-CD2 3.38Å; L302-H304 PolarHBondContact O-N 3.5Å; L302-H304 VanDerWaalsContact O-N 3.16Å
303R93.8Very high95.3Very high12 Ų1247.1 Ų47.15%0.04521%0.208CC..  trans-87.674.5-178.5-66.8-167.860.5-168.1-9.3111.6F296 N298 E305 L306 D339F296-R303 VanDerWaalsContact O-CB 3.27Å; F296-R303 WeakPolarHBondContact O-CB 2.98Å; F296-R303 PolarHBondContact O-N 3.38Å; N298-R303 HydrophobicContact CB-CG 4.16Å; R303-E305 VanDerWaalsContact CA-OE2 3.3Å; R303-E305 WeakPolarHBondContact CA-OE2 3.24Å; R303-E305 IonicContact CZ-OE1 3.33Å; R303-E305 IonicContact NE-OE1 2.76Å; R303-E305 PolarHBondContact NE-OE1 2.93Å; R303-E305 IonicContact NH2-OE1 3.04Å; R303-E305 PolarHBondContact NH2-OE1 3.23Å; R303-E305 PolarHBondContact O-N 3.46Å; R303-E305 VanDerWaalsContact O-N 3.13Å; R303-L306 HydrophobicContact CB-CD1 3.67Å; R303-L306 HydrophobicContact CB-CG 3.94Å; R303-L306 HydrophobicContact CG-CD1 4.44Å; R303-L306 WeakPolarHBondContact O-CB 3.42Å; R303-L306 PolarHBondContact O-N 3.05Å; R303-D339 PolarHBondContact NH1-O 3.01Å
304H92.6Very high95.4Very high66 Ų6643.1 Ų43.131%0.30619%0.193SC..G310 helixtrans-53-33-179.9-73.5-65.8000114.1L302 L306 L307 S457L302-H304 WeakPolarHBondContact CB-NE2 3.36Å; L302-H304 WeakPolarHBondContact CD2-CE1 3.12Å; L302-H304 WeakPolarHBondContact CD2-NE2 3.49Å; L302-H304 WeakPolarHBondContact CG-NE2 3.24Å; L302-H304 PolarHBondContact O-CD2 3.38Å; L302-H304 PolarHBondContact O-N 3.5Å; L302-H304 VanDerWaalsContact O-N 3.16Å; H304-L306 PolarHBondContact O-N 2.86Å; H304-L307 PolarHBondContact O-N 3.49Å; H304-S457 WeakPolarHBondContact CE1-CB 3.41Å; H304-S457 PolarHBondContact CE1-OG 3.32Å; H304-S457 WeakPolarHBondContact NE2-CB 3.27Å; H304-S457 PolarHBondContact NE2-OG 3.43Å
305E93.6Very high95.5Very high71 Ų7146.6 Ų46.633%0.33220%0.203SC..G310 helixtrans-59.8-19.2179.671.8-84.1-166.800113.4R303 P309 P408R303-E305 VanDerWaalsContact CA-OE2 3.3Å; R303-E305 WeakPolarHBondContact CA-OE2 3.24Å; R303-E305 IonicContact CZ-OE1 3.33Å; R303-E305 IonicContact NE-OE1 2.76Å; R303-E305 PolarHBondContact NE-OE1 2.93Å; R303-E305 IonicContact NH2-OE1 3.04Å; R303-E305 PolarHBondContact NH2-OE1 3.23Å; R303-E305 PolarHBondContact O-N 3.46Å; R303-E305 VanDerWaalsContact O-N 3.13Å; E305-P309 VanDerWaalsContact O-CD 3.22Å; E305-P309 WeakPolarHBondContact O-CD 3.46Å; E305-P309 WeakPolarHBondContact O-CG 3.49Å; E305-P408 HydrophobicContact CB-CG 4.07Å; E305-P408 HydrophobicContact CG-CB 4.32Å; E305-P408 HydrophobicContact CG-CG 3.84Å; E305-P408 WeakPolarHBondContact O-CG 3.11Å
306L96.1Very high95.5Very high1 Ų149.9 Ų49.91%0.00522%0.219CC..G310 helixtrans-86.1-26.1178.6-58.9178.4000113.4F296 R303 H304 P309 V310 Y338 P408 V410F296-L306 HydrophobicContact CD1-CB 4.03Å; F296-L306 HydrophobicContact CD1-CD1 4.11Å; F296-L306 HydrophobicContact CE1-CB 4.28Å; R303-L306 HydrophobicContact CB-CD1 3.67Å; R303-L306 HydrophobicContact CB-CG 3.94Å; R303-L306 HydrophobicContact CG-CD1 4.44Å; R303-L306 WeakPolarHBondContact O-CB 3.42Å; R303-L306 PolarHBondContact O-N 3.05Å; H304-L306 PolarHBondContact O-N 2.86Å; L306-P309 WeakPolarHBondContact O-CD 3.5Å; L306-V310 VanDerWaalsContact O-CG2 3.23Å; L306-V310 WeakPolarHBondContact O-CG2 3.46Å; L306-V310 PolarHBondContact O-N 2.98Å; L306-V310 VanDerWaalsContact O-N 3.14Å; L306-Y338 HydrophobicContact CD1-CD1 3.8Å; L306-Y338 HydrophobicContact CD1-CD2 3.55Å; L306-Y338 HydrophobicContact CD1-CE1 3.9Å; L306-Y338 HydrophobicContact CD1-CE2 3.69Å; L306-Y338 HydrophobicContact CD1-CG 3.63Å; L306-Y338 HydrophobicContact CD2-CD2 4.37Å; L306-Y338 HydrophobicContact CD2-CG 4.23Å; L306-P408 HydrophobicContact CD2-CB 3.75Å; L306-P408 HydrophobicContact CD2-CG 3.98Å; L306-V410 HydrophobicContact CD2-CG2 3.72Å
307L96.6Very high95.5Very high0 Ų049.9 Ų49.90%022%0.219CC..Hα-helixtrans-67.9-51.2-169.4-60177.6000111.7F296 H304 V310 L311 I450 E454F296-L307 HydrophobicContact CB-CD2 4.27Å; F296-L307 HydrophobicContact CD1-CD2 4.09Å; F296-L307 HydrophobicContact CD2-CD2 3.64Å; F296-L307 HydrophobicContact CE1-CD2 4.34Å; F296-L307 HydrophobicContact CE2-CD2 3.92Å; F296-L307 HydrophobicContact CG-CD2 3.73Å; F296-L307 HydrophobicContact CZ-CD2 4.27Å; H304-L307 PolarHBondContact O-N 3.49Å; L307-V310 PolarHBondContact O-N 3.25Å; L307-L311 WeakPolarHBondContact O-CB 3.27Å; L307-L311 WeakPolarHBondContact O-CG 3.47Å; L307-L311 PolarHBondContact O-N 3.09Å; L307-I450 HydrophobicContact CD2-CG2 4.1Å; L307-E454 HydrophobicContact CB-CB 4.31Å; L307-E454 HydrophobicContact CB-CG 4.43Å; L307-E454 HydrophobicContact CD1-CB 4Å
308S95.9Very high95.6Very high55 Ų5549.9 Ų49.939%0.38522%0.219SC..Hα-helixtrans-62.8-43.1-178.7-30.90000113.1L311 R312 E454S308-L311 PolarHBondContact O-N 3.03Å; S308-R312 WeakPolarHBondContact O-CB 3.42Å; S308-R312 PolarHBondContact O-N 3.36Å; S308-E454 WeakPolarHBondContact CA-OE1 3.04Å; S308-E454 VanDerWaalsContact CB-OE1 3.28Å; S308-E454 WeakPolarHBondContact CB-OE1 3.36Å; S308-E454 PolarHBondContact N-OE1 3.48Å; S308-E454 PolarHBondContact OG-OE1 3.35Å
309P96.8Very high95.8Very high21 Ų2151.8 Ų51.814%0.13624%0.237CC..Hα-helixtrans-59.5-42.6172.1-27.135.9000114E305 L306 R312 R313 P408 V410E305-P309 VanDerWaalsContact O-CD 3.22Å; E305-P309 WeakPolarHBondContact O-CD 3.46Å; E305-P309 WeakPolarHBondContact O-CG 3.49Å; L306-P309 WeakPolarHBondContact O-CD 3.5Å; P309-R312 PolarHBondContact O-N 2.86Å; P309-R313 WeakPolarHBondContact O-CG 3.48Å; P309-R313 PolarHBondContact O-N 3.31Å; P309-R313 VanDerWaalsContact O-N 3.13Å; P309-P408 HydrophobicContact CG-CG 4.37Å; P309-V410 HydrophobicContact CB-CB 4.39Å; P309-V410 HydrophobicContact CB-CG2 4.3Å
310V98.1Very high96Very high0 Ų051.2 Ų51.20%023%0.229CC..Hα-helixtrans-61.5-51.3175.4169.60000110.4F296 L306 L307 R312 R313 L314 I336 V410 I450F296-V310 HydrophobicContact CE1-CG2 4Å; F296-V310 HydrophobicContact CZ-CG1 4.4Å; F296-V310 HydrophobicContact CZ-CG2 4.15Å; L306-V310 VanDerWaalsContact O-CG2 3.23Å; L306-V310 WeakPolarHBondContact O-CG2 3.46Å; L306-V310 PolarHBondContact O-N 2.98Å; L306-V310 VanDerWaalsContact O-N 3.14Å; L307-V310 PolarHBondContact O-N 3.25Å; V310-R312 VanDerWaalsContact C-N 3.3Å; V310-R312 PolarHBondContact O-N 2.95Å; V310-R313 PolarHBondContact O-N 3.1Å; V310-R313 VanDerWaalsContact O-N 3.13Å; V310-L314 HydrophobicContact CG1-CD1 3.72Å; V310-L314 HydrophobicContact CG1-CG 4.13Å; V310-L314 WeakPolarHBondContact O-CG 3.44Å; V310-L314 PolarHBondContact O-N 2.88Å; V310-I336 HydrophobicContact CG1-CD1 4.06Å; V310-I336 HydrophobicContact CG1-CG2 4.47Å; V310-I336 HydrophobicContact CG2-CG2 3.92Å; V310-V410 HydrophobicContact CG2-CG1 3.48Å; V310-V410 VanDerWaalsContact CG2-CG1 3.48Å; V310-V410 HydrophobicContact CG2-CG2 4.45Å; V310-I450 HydrophobicContact CG1-CD1 4.09Å
311L98.2Very high96.2Very high0 Ų043.4 Ų43.40%020%0.201CC..Hα-helixtrans-58.3-41.4-179.4-75.4170.1000112.2L307 S308 L314 R315 I447 I450 S451 E454L307-L311 WeakPolarHBondContact O-CB 3.27Å; L307-L311 WeakPolarHBondContact O-CG 3.47Å; L307-L311 PolarHBondContact O-N 3.09Å; S308-L311 PolarHBondContact O-N 3.03Å; L311-L314 PolarHBondContact O-N 3.24Å; L311-R315 VanDerWaalsContact O-CG 3.32Å; L311-R315 WeakPolarHBondContact O-CG 3.31Å; L311-R315 PolarHBondContact O-N 3.21Å; L311-I447 HydrophobicContact CD2-CG2 4.14Å; L311-I447 WeakPolarHBondContact CD2-O 3.17Å; L311-I450 HydrophobicContact CD1-CG2 4.16Å; L311-I450 HydrophobicContact CD2-CB 3.82Å; L311-I450 HydrophobicContact CD2-CG2 3.69Å; L311-I450 HydrophobicContact CG-CB 4.41Å; L311-I450 HydrophobicContact CG-CG2 3.72Å; L311-S451 WeakPolarHBondContact CD2-OG 3.36Å; L311-E454 HydrophobicContact CD1-CB 4.44Å; L311-E454 VanDerWaalsContact CD1-OE2 3.26Å; L311-E454 WeakPolarHBondContact CD1-OE2 3.44Å
312R97.5Very high96.3Very high143 Ų14339.5 Ų39.554%0.5419%0.189SC..Hα-helixtrans-58.4-51174.8-171.3-171.5-55.3150.44.7111.1S308 P309 V310 L314 R315 E316S308-R312 WeakPolarHBondContact O-CB 3.42Å; S308-R312 PolarHBondContact O-N 3.36Å; P309-R312 PolarHBondContact O-N 2.86Å; V310-R312 VanDerWaalsContact C-N 3.3Å; V310-R312 PolarHBondContact O-N 2.95Å; R312-L314 VanDerWaalsContact C-N 3.35Å; R312-L314 PolarHBondContact O-N 3.14Å; R312-R315 PolarHBondContact O-N 2.9Å; R312-E316 WeakPolarHBondContact O-CG 3.25Å; R312-E316 PolarHBondContact O-N 3.47Å
313R97.8Very high96.2Very high80 Ų8041.8 Ų41.830%0.30221%0.209SC..Hα-helixtrans-61.6-40.6179-72.7-67.9-158.2137.68.2112.5P309 V310 E316 M317 V412P309-R313 WeakPolarHBondContact O-CG 3.48Å; P309-R313 PolarHBondContact O-N 3.31Å; P309-R313 VanDerWaalsContact O-N 3.13Å; V310-R313 PolarHBondContact O-N 3.1Å; V310-R313 VanDerWaalsContact O-N 3.13Å; R313-E316 PolarHBondContact O-N 3.13Å; R313-M317 WeakPolarHBondContact O-CB 3.39Å; R313-M317 PolarHBondContact O-N 3.33Å; R313-V412 HydrophobicContact CB-CB 3.91Å; R313-V412 HydrophobicContact CB-CG2 3.78Å; R313-V412 HydrophobicContact CG-CG2 4.34Å
314L98.4Very high96.1Very high0 Ų041.5 Ų41.50%021%0.209CC..Hα-helixtrans-63.9-43177.2-68.1173.3000112.1V310 L311 R312 M317 Q318 L334 V412 L443 L446 I447 I450V310-L314 HydrophobicContact CG1-CD1 3.72Å; V310-L314 HydrophobicContact CG1-CG 4.13Å; V310-L314 WeakPolarHBondContact O-CG 3.44Å; V310-L314 PolarHBondContact O-N 2.88Å; L311-L314 PolarHBondContact O-N 3.24Å; R312-L314 VanDerWaalsContact C-N 3.35Å; R312-L314 PolarHBondContact O-N 3.14Å; L314-M317 WeakPolarHBondContact O-CB 3.49Å; L314-M317 PolarHBondContact O-N 2.91Å; L314-Q318 PolarHBondContact O-N 3.22Å; L314-L334 HydrophobicContact CD2-CD1 3.61Å; L314-L334 HydrophobicContact CD2-CD2 4.12Å; L314-L334 HydrophobicContact CD2-CG 4.47Å; L314-V412 HydrophobicContact CD2-CG1 3.76Å; L314-V412 HydrophobicContact CG-CG1 4.49Å; L314-L443 HydrophobicContact CB-CD1 4.24Å; L314-L443 HydrophobicContact CD2-CD1 3.66Å; L314-L443 HydrophobicContact CG-CD1 4.48Å; L314-L446 HydrophobicContact CD1-CD2 4.24Å; L314-L446 HydrophobicContact CD1-CG 4.3Å; L314-L446 HydrophobicContact CD2-CD2 4.16Å; L314-I447 HydrophobicContact CB-CD1 4.02Å; L314-I447 HydrophobicContact CB-CG1 3.68Å; L314-I447 HydrophobicContact CD1-CG1 4.14Å; L314-I450 HydrophobicContact CD1-CD1 3.84Å
315R98.4Very high95.9Very high126 Ų12645 Ų4548%0.47523%0.226SC..Hα-helixtrans-65.2-41.1176.8-71174.4-173.9135.53.5111.9L311 R312 M317 Q318 A319 I447L311-R315 VanDerWaalsContact O-CG 3.32Å; L311-R315 WeakPolarHBondContact O-CG 3.31Å; L311-R315 PolarHBondContact O-N 3.21Å; R312-R315 PolarHBondContact O-N 2.9Å; R315-M317 VanDerWaalsContact C-N 3.33Å; R315-M317 PolarHBondContact O-N 2.88Å; R315-Q318 WeakPolarHBondContact O-CB 3.25Å; R315-Q318 PolarHBondContact O-N 3.5Å; R315-A319 PolarHBondContact O-N 3.27Å; R315-A319 VanDerWaalsContact O-N 3.13Å; R315-I447 HydrophobicContact CG-CD1 4.18Å; R315-I447 HydrophobicContact CG-CG2 4.46Å
316E97.8Very high95.8Very high69 Ų6942 Ų4232%0.32221%0.212SC..Hα-helixtrans-65.2-36.9174-67176.3-158.100112.3K65 F66 R312 R313 A319 A320K65-E316 IonicContact NZ-OE2 3.95Å; K65-E316 PolarHBondContact NZ-OE2 2.83Å; F66-E316 HydrophobicContact CE1-CB 4.36Å; F66-E316 VanDerWaalsContact CZ-C 3.41Å; F66-E316 HydrophobicContact CZ-CB 3.63Å; R312-E316 WeakPolarHBondContact O-CG 3.25Å; R312-E316 PolarHBondContact O-N 3.47Å; R313-E316 PolarHBondContact O-N 3.13Å; E316-A319 PolarHBondContact O-N 3.34Å; E316-A320 PolarHBondContact O-N 3.18Å; E316-A320 VanDerWaalsContact O-N 3.1Å
317M97.7Very high95.7Very high0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-65.4-41175.1-177.6-173.7-69.200111.1F66 R313 L314 R315 A319 A320 L321 L334 V412 M414 L443F66-M317 HydrophobicContact CB-CE 4.08Å; F66-M317 HydrophobicContact CD1-CB 3.88Å; F66-M317 HydrophobicContact CD1-CE 3.75Å; F66-M317 HydrophobicContact CD1-CG 4.2Å; F66-M317 HydrophobicContact CD2-CB 4.33Å; F66-M317 HydrophobicContact CD2-CG 4.39Å; F66-M317 HydrophobicContact CE1-CB 3.77Å; F66-M317 HydrophobicContact CE2-CB 4.21Å; F66-M317 HydrophobicContact CG-CB 4.17Å; F66-M317 HydrophobicContact CG-CE 4.13Å; F66-M317 HydrophobicContact CG-CG 4.12Å; F66-M317 VanDerWaalsContact CZ-CA 3.46Å; F66-M317 HydrophobicContact CZ-CB 3.94Å; R313-M317 WeakPolarHBondContact O-CB 3.39Å; R313-M317 PolarHBondContact O-N 3.33Å; L314-M317 WeakPolarHBondContact O-CB 3.49Å; L314-M317 PolarHBondContact O-N 2.91Å; R315-M317 VanDerWaalsContact C-N 3.33Å; R315-M317 PolarHBondContact O-N 2.88Å; M317-A319 PolarHBondContact O-N 2.74Å; M317-A320 PolarHBondContact O-N 3.13Å; M317-L321 HydrophobicContact CG-CD1 4Å; M317-L321 HydrophobicContact CG-CG 4.43Å; M317-L321 WeakPolarHBondContact O-CG 3.47Å; M317-L321 PolarHBondContact O-N 3.09Å; M317-L334 HydrophobicContact CE-CD1 4.19Å; M317-L334 HydrophobicContact CE-CG 4.5Å; M317-L334 HydrophobicContact SD-CD1 3.63Å; M317-L334 HydrophobicContact SD-CG 4.45Å; M317-V412 HydrophobicContact CE-CG1 3.78Å; M317-M414 HydrophobicContact CE-CG 3.89Å; M317-M414 HydrophobicContact CG-SD 4.33Å; M317-M414 HydrophobicContact SD-CG 3.71Å; M317-M414 HydrophobicContact SD-SD 4Å; M317-L443 HydrophobicContact CG-CD2 4.43Å
318Q97.4Very high95.6Very high36 Ų3644.2 Ų44.217%0.16822%0.221CC..Hα-helixtrans-57.1-50.4175.7-174.5-175.1-27.600110.6L314 R315 A320 L321 E322 L443L314-Q318 PolarHBondContact O-N 3.22Å; R315-Q318 WeakPolarHBondContact O-CB 3.25Å; R315-Q318 PolarHBondContact O-N 3.5Å; Q318-A320 VanDerWaalsContact C-N 3.29Å; Q318-A320 PolarHBondContact O-N 3.47Å; Q318-L321 PolarHBondContact O-N 2.91Å; Q318-E322 HydrophobicContact CG-CG 4.46Å; Q318-E322 WeakPolarHBondContact CG-OE1 3.32Å; Q318-E322 PolarHBondContact NE2-OE1 3.39Å; Q318-E322 WeakPolarHBondContact O-CB 3.3Å; Q318-E322 WeakPolarHBondContact O-CG 3.3Å; Q318-E322 PolarHBondContact O-N 3.48Å; Q318-L443 HydrophobicContact CB-CD2 3.62Å; Q318-L443 HydrophobicContact CB-CG 4.39Å; Q318-L443 HydrophobicContact CG-CD2 4.21Å
319A96.6Very high95.5Very high55 Ų5541.8 Ų41.846%0.45520%0.203SC..Hα-helixtrans-59.8-38.7177.800000112.6R315 E316 M317 A323R315-A319 PolarHBondContact O-N 3.27Å; R315-A319 VanDerWaalsContact O-N 3.13Å; E316-A319 PolarHBondContact O-N 3.34Å; M317-A319 PolarHBondContact O-N 2.74Å; A319-A323 PolarHBondContact O-N 2.9Å
320A95.8Very high95.4Very high10 Ų1041.3 Ų41.38%0.08320%0.199CC..Hα-helixtrans-67-40.2176.500000112.7E62 F66 E316 M317 Q318 A323 C324E62-A320 HydrophobicContact CB-CB 4.13Å; F66-A320 HydrophobicContact CD2-CB 3.9Å; F66-A320 HydrophobicContact CE2-CB 3.63Å; E316-A320 PolarHBondContact O-N 3.18Å; E316-A320 VanDerWaalsContact O-N 3.1Å; M317-A320 PolarHBondContact O-N 3.13Å; Q318-A320 VanDerWaalsContact C-N 3.29Å; Q318-A320 PolarHBondContact O-N 3.47Å; A320-A323 PolarHBondContact O-N 3.07Å; A320-C324 PolarHBondContact O-N 3.28Å; A320-C324 PolarHBondContact O-SG 3.25Å
321L94.9Very high95.2Very high8 Ų842.2 Ų42.24%0.04221%0.205CC..Hα-helixtrans-69.1-37.1176.7-74.8169.2000112.3M63 M317 Q318 A323 C324 F329 M414 F439 L443M63-L321 HydrophobicContact CE-CD2 4.03Å; M317-L321 HydrophobicContact CG-CD1 4Å; M317-L321 HydrophobicContact CG-CG 4.43Å; M317-L321 WeakPolarHBondContact O-CG 3.47Å; M317-L321 PolarHBondContact O-N 3.09Å; Q318-L321 PolarHBondContact O-N 2.91Å; L321-A323 PolarHBondContact O-N 2.79Å; L321-C324 PolarHBondContact O-N 2.96Å; L321-C324 VanDerWaalsContact O-N 3.07Å; L321-F329 HydrophobicContact CD2-CD2 4.09Å; L321-F329 HydrophobicContact CD2-CE2 3.51Å; L321-F329 HydrophobicContact CD2-CZ 4.06Å; L321-M414 HydrophobicContact CD1-SD 4.01Å; L321-M414 HydrophobicContact CD2-CE 3.95Å; L321-M414 HydrophobicContact CD2-SD 3.8Å; L321-M414 HydrophobicContact CG-SD 4.21Å; L321-F439 HydrophobicContact CD1-CD1 3.54Å; L321-F439 HydrophobicContact CD1-CE1 3.45Å; L321-F439 VanDerWaalsContact CD1-CE1 3.45Å; L321-F439 HydrophobicContact CD1-CZ 4.42Å; L321-L443 HydrophobicContact CD1-CD2 4.02Å
322E94.4Very high95Very high64 Ų6442.2 Ų42.230%0.29921%0.205SC..Hα-helixtrans-63.3-29.2174.6-76.3171.4-18000112.3Q318 Q435 I440Q318-E322 HydrophobicContact CG-CG 4.46Å; Q318-E322 WeakPolarHBondContact CG-OE1 3.32Å; Q318-E322 PolarHBondContact NE2-OE1 3.39Å; Q318-E322 WeakPolarHBondContact O-CB 3.3Å; Q318-E322 WeakPolarHBondContact O-CG 3.3Å; Q318-E322 PolarHBondContact O-N 3.48Å; E322-Q435 WeakPolarHBondContact O-CG 3.27Å; E322-Q435 PolarHBondContact O-NE2 3.25Å; E322-I440 HydrophobicContact CG-CD1 3.85Å
323A92.3Very high95Very high61 Ų6135.4 Ų35.450%0.50418%0.179SC..Hα-helixtrans-80.6-17.2173.100000113.7E62 A319 A320 L321 E325E62-A323 HydrophobicContact CG-CB 4.39Å; A319-A323 PolarHBondContact O-N 2.9Å; A320-A323 PolarHBondContact O-N 3.07Å; L321-A323 PolarHBondContact O-N 2.79Å; A323-E325 PolarHBondContact O-N 2.65Å; A323-E325 VanDerWaalsContact O-N 3.11Å
324C90.7Very high95Very high5 Ų531.6 Ų31.63%0.03417%0.165CC..  trans-85.776-179.8-690000111.3A320 L321 Y327A320-C324 PolarHBondContact O-N 3.28Å; A320-C324 PolarHBondContact O-SG 3.25Å; L321-C324 PolarHBondContact O-N 2.96Å; L321-C324 VanDerWaalsContact O-N 3.07Å; C324-Y327 HydrophobicContact CB-CD2 3.88Å; C324-Y327 HydrophobicContact CB-CG 4.42Å
325E88.8Confident95Very high140 Ų14032.5 Ų32.565%0.65417%0.17SC*.THydrogen-bonded Turntrans-60.4147177.4-64.9-172.6178.200112.5A323 Y327A323-E325 PolarHBondContact O-N 2.65Å; A323-E325 VanDerWaalsContact O-N 3.11Å; E325-Y327 WeakPolarHBondContact O-CD2 3.43Å; E325-Y327 PolarHBondContact O-N 2.79Å
326S91.3Very high95Very high7 Ų726.5 Ų26.55%0.04915%0.147CC..THydrogen-bonded Turntrans67.3-8.7177.379.90000117.2R423 H432 G434S326-R423 PolarHBondContact OG-N 3.22Å; S326-H432 VanDerWaalsContact CB-O 3.24Å; S326-H432 WeakPolarHBondContact CB-O 3.45Å; S326-G434 PolarHBondContact N-O 3.23Å
327Y93.6Very high95Very high23 Ų2323.3 Ų23.39%0.0913%0.132CC..  trans-72.2141175.4-80.2-88000111.6F55 P60 C324 E325 F329 T420 T421 C422F55-Y327 HydrophobicContact CD2-CE1 4.22Å; F55-Y327 HydrophobicContact CE2-CD1 4.22Å; F55-Y327 AromaticContact CE2-CE1 3.96Å; F55-Y327 HydrophobicContact CE2-CE1 3.96Å; P60-Y327 HydrophobicContact CG-CD2 4.4Å; P60-Y327 HydrophobicContact CG-CE1 4.15Å; P60-Y327 HydrophobicContact CG-CE2 3.56Å; P60-Y327 VanDerWaalsContact CG-CZ 3.42Å; P60-Y327 WeakPolarHBondContact CG-OH 3.48Å; C324-Y327 HydrophobicContact CB-CD2 3.88Å; C324-Y327 HydrophobicContact CB-CG 4.42Å; E325-Y327 WeakPolarHBondContact O-CD2 3.43Å; E325-Y327 PolarHBondContact O-N 2.79Å; Y327-F329 HydrophobicContact CD1-CE1 4.33Å; Y327-F329 AromaticContact CD1-CZ 3.98Å; Y327-F329 HydrophobicContact CD1-CZ 3.98Å; Y327-F329 HydrophobicContact CG-CE2 4.48Å; Y327-F329 HydrophobicContact CG-CZ 4.03Å; Y327-T420 HydrophobicContact CD1-CG2 4.07Å; Y327-T421 WeakPolarHBondContact CA-O 3.33Å; Y327-C422 HydrophobicContact CD1-CB 3.85Å; Y327-C422 HydrophobicContact CE1-CB 3.69Å; Y327-C422 HydrophobicContact CG-CB 4.34Å; Y327-C422 VanDerWaalsContact CZ-SG 3.52Å
328R94.9Very high94.9Very high26 Ų2623.4 Ų23.410%0.09813%0.132CC..EExtended strand (participates in β ladder)trans-131.1130.2167.5-59.9-64.3-179.9-93.35.6110.4Y330 T420 T421 H432 E433 G434 Q435 D436R328-Y330 HydrophobicContact CB-CD2 4.26Å; R328-Y330 HydrophobicContact CB-CE1 4.37Å; R328-Y330 HydrophobicContact CB-CE2 3.67Å; R328-Y330 HydrophobicContact CG-CE2 4.42Å; R328-T420 VanDerWaalsContact O-CA 3.23Å; R328-T420 WeakPolarHBondContact O-CA 3.38Å; R328-T420 WeakPolarHBondContact O-CG2 3.48Å; R328-T421 PolarHBondContact N-O 2.81Å; R328-T421 PolarHBondContact O-N 3.06Å; R328-H432 HydrophobicContact CG-CB 3.94Å; R328-E433 PolarHBondContact NH2-O 3.26Å; R328-G434 PolarHBondContact NH1-O 2.99Å; R328-Q435 PolarHBondContact NH1-O 3.42Å; R328-Q435 PolarHBondContact NH2-O 2.98Å; R328-D436 WeakPolarHBondContact CA-OD2 3.29Å
329F95.3Very high94.8Very high4 Ų422.4 Ų22.42%0.01813%0.128CC..EExtended strand (participates in β ladder)trans-110.974.6-173.7-59.7-80.2000110.7F55 M63 L321 Y327 M414 F417 T420 D436 F439F55-F329 AromaticContact CE2-CE1 3.7Å; F55-F329 HydrophobicContact CE2-CE1 3.7Å; F55-F329 HydrophobicContact CE2-CZ 4.42Å; F55-F329 AromaticContact CZ-CE1 3.92Å; F55-F329 HydrophobicContact CZ-CE1 3.92Å; M63-F329 HydrophobicContact CE-CE1 3.7Å; M63-F329 HydrophobicContact CE-CE2 4.45Å; M63-F329 HydrophobicContact CE-CZ 3.58Å; M63-F329 HydrophobicContact SD-CE1 4.01Å; M63-F329 HydrophobicContact SD-CZ 3.51Å; M63-F329 VanDerWaalsContact SD-CZ 3.51Å; L321-F329 HydrophobicContact CD2-CD2 4.09Å; L321-F329 HydrophobicContact CD2-CE2 3.51Å; L321-F329 HydrophobicContact CD2-CZ 4.06Å; Y327-F329 HydrophobicContact CD1-CE1 4.33Å; Y327-F329 AromaticContact CD1-CZ 3.98Å; Y327-F329 HydrophobicContact CD1-CZ 3.98Å; Y327-F329 HydrophobicContact CG-CE2 4.48Å; Y327-F329 HydrophobicContact CG-CZ 4.03Å; F329-M414 HydrophobicContact CB-CE 4.42Å; F329-M414 HydrophobicContact CD1-CE 3.9Å; F329-M414 HydrophobicContact CD2-CE 4.18Å; F329-M414 HydrophobicContact CE1-CE 4.2Å; F329-M414 HydrophobicContact CE2-CE 4.45Å; F329-M414 HydrophobicContact CG-CE 3.9Å; F329-M414 HydrophobicContact CZ-CE 4.47Å; F329-F417 HydrophobicContact CD1-CD1 4.13Å; F329-F417 HydrophobicContact CD1-CE1 4.28Å; F329-F417 HydrophobicContact CE1-CD1 4.37Å; F329-F417 HydrophobicContact CE1-CE1 4.39Å; F329-T420 HydrophobicContact CD1-CG2 3.8Å; F329-T420 HydrophobicContact CE1-CG2 3.8Å; F329-D436 HydrophobicContact CD2-CB 4.39Å; F329-D436 PolarHBondContact N-OD2 3.17Å; F329-F439 HydrophobicContact CB-CD2 3.76Å; F329-F439 HydrophobicContact CB-CE2 4.15Å; F329-F439 HydrophobicContact CG-CD2 4.47Å
330Y94.8Very high94.6Very high11 Ų1120.2 Ų20.24%0.04311%0.111CC..THydrogen-bonded Turntrans-76.1135.1179.5-57.2-61.9000111.4R229 H231 R328 S332 H419 T421 H432R229-Y330 HydrophobicContact CB-CE1 4.49Å; R229-Y330 HydrophobicContact CG-CD1 4.17Å; R229-Y330 HydrophobicContact CG-CE1 3.98Å; R229-Y330 PolarHBondContact NH1-OH 3.12Å; H231-Y330 WeakPolarHBondContact O-CD1 3.37Å; R328-Y330 HydrophobicContact CB-CD2 4.26Å; R328-Y330 HydrophobicContact CB-CE1 4.37Å; R328-Y330 HydrophobicContact CB-CE2 3.67Å; R328-Y330 HydrophobicContact CG-CE2 4.42Å; Y330-S332 PolarHBondContact O-N 3.03Å; Y330-H419 WeakPolarHBondContact CD2-O 3.41Å; Y330-H419 WeakPolarHBondContact O-CB 3.43Å; Y330-T421 HydrophobicContact CE2-CG2 4.47Å; Y330-H432 PolarHBondContact OH-CE1 3.26Å; Y330-H432 PolarHBondContact OH-NE2 3Å
331S92.1Very high94.1Very high19 Ų1922 Ų2213%0.13312%0.119CC..THydrogen-bonded Turntrans57.513.5179-77.90000115K225 Q230 Q243K225-S331 WeakPolarHBondContact CE-O 3.33Å; K225-S331 PolarHBondContact NZ-O 2.99Å; Q230-S331 PolarHBondContact O-OG 3.14Å; Q243-S331 PolarHBondContact NE2-OG 3.44Å
332S95.6Very high93.3Very high0 Ų024.4 Ų24.40%014%0.136CC..  trans-73.4159.8172.5-58.60000111.3M226 Y330 I415 D416M226-S332 PolarHBondContact N-O 3.29Å; Y330-S332 PolarHBondContact O-N 3.03Å; S332-I415 WeakPolarHBondContact CB-O 3.48Å; S332-D416 WeakPolarHBondContact CA-O 3.44Å; S332-D416 WeakPolarHBondContact CB-O 3.45Å; S332-D416 PolarHBondContact OG-O 2.94Å
333S96.7Very high92.1Very high0 Ų026.4 Ų26.40%015%0.154CC..EExtended strand (participates in β ladder)trans-121.9152.9179.5-78.90000111.5D223 L224 K225 M414 I415D223-S333 WeakPolarHBondContact OD1-CB 3.39Å; D223-S333 PolarHBondContact OD1-OG 2.98Å; L224-S333 CarbonylContact O-C 3.58Å; L224-S333 WeakPolarHBondContact O-CA 3.45Å; L224-S333 WeakPolarHBondContact O-CB 3.44Å; K225-S333 WeakPolarHBondContact CE-OG 3.42Å; K225-S333 PolarHBondContact NZ-OG 3.25Å; S333-M414 CarbonylContact O-C 3.6Å; S333-M414 WeakPolarHBondContact O-CA 3.41Å; S333-I415 PolarHBondContact N-O 3.36Å; S333-I415 PolarHBondContact O-N 3.49Å
334L97.6Very high90.9Very high0 Ų034.9 Ų34.90%017%0.173CC..EExtended strand (participates in β ladder)trans-105.1128.7165.5-175.8152.5000107.9L224 M226 L314 M317 I336 V412 R413 L443 L446L224-L334 HydrophobicContact CD1-CD2 4.45Å; L224-L334 PolarHBondContact N-O 3.45Å; L224-L334 PolarHBondContact O-N 2.94Å; M226-L334 HydrophobicContact CE-CD1 4.48Å; M226-L334 HydrophobicContact CG-CB 3.84Å; M226-L334 HydrophobicContact SD-CB 3.93Å; L314-L334 HydrophobicContact CD2-CD1 3.61Å; L314-L334 HydrophobicContact CD2-CD2 4.12Å; L314-L334 HydrophobicContact CD2-CG 4.47Å; M317-L334 HydrophobicContact CE-CD1 4.19Å; M317-L334 HydrophobicContact CE-CG 4.5Å; M317-L334 HydrophobicContact SD-CD1 3.63Å; M317-L334 HydrophobicContact SD-CG 4.45Å; L334-I336 HydrophobicContact CD2-CD1 3.98Å; L334-I336 HydrophobicContact CD2-CG1 3.5Å; L334-V412 HydrophobicContact CD1-CG1 4.39Å; L334-V412 HydrophobicContact CD2-CG1 3.95Å; L334-V412 HydrophobicContact CG-CG1 4.2Å; L334-R413 CarbonylContact C-O 3.54Å; L334-R413 WeakPolarHBondContact CA-O 3.14Å; L334-L443 HydrophobicContact CD1-CD1 3.85Å; L334-L446 HydrophobicContact CD1-CD2 4.48Å; L334-L446 HydrophobicContact CD2-CD2 4.29Å
335L97.9Very high89.3Confident19 Ų1939.6 Ų39.610%0.09920%0.202CC..EExtended strand (participates in β ladder)trans-109.6126.7-179.3-16071.3000108.9L212 V221 L222 D223 I337 V412 R413 I415L212-L335 HydrophobicContact CD1-CD2 3.92Å; V221-L335 HydrophobicContact CG1-CD1 3.53Å; V221-L335 HydrophobicContact CG1-CD2 4.34Å; V221-L335 HydrophobicContact CG1-CG 4.02Å; L222-L335 CarbonylContact O-C 3.6Å; L222-L335 VanDerWaalsContact O-CA 3.3Å; L222-L335 WeakPolarHBondContact O-CA 3.39Å; D223-L335 HydrophobicContact CB-CD1 3.96Å; L335-I337 HydrophobicContact CD2-CD1 3.53Å; L335-I337 HydrophobicContact CD2-CG1 3.98Å; L335-I337 HydrophobicContact CG-CD1 4.07Å; L335-I337 HydrophobicContact CG-CG1 3.96Å; L335-V412 CarbonylContact O-C 3.57Å; L335-V412 VanDerWaalsContact O-CA 3.28Å; L335-V412 WeakPolarHBondContact O-CA 3.46Å; L335-R413 PolarHBondContact N-O 2.63Å; L335-R413 PolarHBondContact O-N 3.45Å; L335-I415 HydrophobicContact CB-CD1 4.49Å; L335-I415 HydrophobicContact CD1-CD1 4.33Å
336I98.4Very high87.3Confident0 Ų038.7 Ų38.70%021%0.208CC..EExtended strand (participates in β ladder)trans-111.6127.7171.1-53.3179.6000107.8V221 L222 L224 F295 V310 L334 V412 I450V221-I336 WeakPolarHBondContact CA-O 3.34Å; L222-I336 HydrophobicContact CB-CB 4.43Å; L222-I336 HydrophobicContact CD2-CD1 4.39Å; L222-I336 PolarHBondContact N-O 3.05Å; L222-I336 PolarHBondContact O-N 3.1Å; L224-I336 HydrophobicContact CD1-CD1 4.49Å; F295-I336 HydrophobicContact CE1-CB 4.01Å; F295-I336 HydrophobicContact CE1-CG2 3.71Å; F295-I336 HydrophobicContact CZ-CB 4.26Å; F295-I336 HydrophobicContact CZ-CG2 4.16Å; V310-I336 HydrophobicContact CG1-CD1 4.06Å; V310-I336 HydrophobicContact CG1-CG2 4.47Å; V310-I336 HydrophobicContact CG2-CG2 3.92Å; L334-I336 HydrophobicContact CD2-CD1 3.98Å; L334-I336 HydrophobicContact CD2-CG1 3.5Å; I336-V412 HydrophobicContact CG1-CG1 4.43Å; I336-V412 HydrophobicContact CG1-CG2 4.47Å; I336-V412 HydrophobicContact CG2-CG2 4.38Å; I336-I450 HydrophobicContact CD1-CD1 4.49Å
337I97.8Very high85.1Confident1 Ų142.8 Ų42.81%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-131.8139.9-177.6-49.8164.6000110.2L212 T213 Y216 P219 C220 V221 L335 V410 D411L212-I337 HydrophobicContact CB-CD1 3.52Å; L212-I337 HydrophobicContact CD1-CD1 4.14Å; T213-I337 HydrophobicContact CG2-CD1 4.46Å; Y216-I337 HydrophobicContact CD2-CG2 3.51Å; Y216-I337 HydrophobicContact CE2-CB 4Å; Y216-I337 HydrophobicContact CE2-CG2 3.26Å; Y216-I337 HydrophobicContact CG-CG2 4.38Å; P219-I337 HydrophobicContact CB-CG2 4.35Å; C220-I337 VanDerWaalsContact O-CA 3.27Å; C220-I337 WeakPolarHBondContact O-CA 3.5Å; V221-I337 HydrophobicContact CG1-CG1 4.25Å; V221-I337 HydrophobicContact CG2-CG1 4.38Å; V221-I337 HydrophobicContact CG2-CG2 4.21Å; L335-I337 HydrophobicContact CD2-CD1 3.53Å; L335-I337 HydrophobicContact CD2-CG1 3.98Å; L335-I337 HydrophobicContact CG-CD1 4.07Å; L335-I337 HydrophobicContact CG-CG1 3.96Å; I337-V410 CarbonylContact O-C 3.58Å; I337-V410 WeakPolarHBondContact O-CA 3.42Å; I337-D411 PolarHBondContact N-O 3.27Å; I337-D411 PolarHBondContact O-N 2.86Å
338Y96.7Very high82.8Confident2 Ų251.2 Ų51.21%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-149.2163.3169.867.3-98.5000110.9C220 F295 F296 L306C220-Y338 HydrophobicContact CB-CD1 3.96Å; C220-Y338 HydrophobicContact CB-CD2 3.87Å; C220-Y338 HydrophobicContact CB-CE1 3.54Å; C220-Y338 HydrophobicContact CB-CE2 3.42Å; C220-Y338 VanDerWaalsContact CB-CE2 3.42Å; C220-Y338 HydrophobicContact CB-CG 4.11Å; C220-Y338 PolarHBondContact N-O 2.93Å; C220-Y338 PolarHBondContact O-N 3.32Å; C220-Y338 VanDerWaalsContact O-N 3.13Å; C220-Y338 WeakPolarHBondContact SG-CE2 3.43Å; C220-Y338 VanDerWaalsContact SG-CZ 3.57Å; C220-Y338 PolarHBondContact SG-OH 3.33Å; F295-Y338 HydrophobicContact CD1-CE1 4.15Å; F295-Y338 HydrophobicContact CD2-CE1 4.35Å; F295-Y338 AromaticContact CE1-CD1 3.9Å; F295-Y338 HydrophobicContact CE1-CD1 3.9Å; F295-Y338 AromaticContact CE1-CE1 3.6Å; F295-Y338 HydrophobicContact CE1-CE1 3.6Å; F295-Y338 HydrophobicContact CE2-CD1 4.43Å; F295-Y338 AromaticContact CE2-CE1 3.8Å; F295-Y338 HydrophobicContact CE2-CE1 3.8Å; F295-Y338 AromaticContact CZ-CD1 3.67Å; F295-Y338 HydrophobicContact CZ-CD1 3.67Å; F295-Y338 AromaticContact CZ-CE1 3.41Å; F295-Y338 HydrophobicContact CZ-CE1 3.41Å; F295-Y338 VanDerWaalsContact CZ-CE1 3.41Å; F295-Y338 WeakPolarHBondContact O-CE1 3.35Å; F295-Y338 PolarHBondContact O-OH 2.86Å; F296-Y338 HydrophobicContact CD1-CE1 4.32Å; L306-Y338 HydrophobicContact CD1-CD1 3.8Å; L306-Y338 HydrophobicContact CD1-CD2 3.55Å; L306-Y338 HydrophobicContact CD1-CE1 3.9Å; L306-Y338 HydrophobicContact CD1-CE2 3.69Å; L306-Y338 HydrophobicContact CD1-CG 3.63Å; L306-Y338 HydrophobicContact CD2-CD2 4.37Å; L306-Y338 HydrophobicContact CD2-CG 4.23Å
339D94.3Very high80.2Confident15 Ų1555.6 Ų55.68%0.0831%0.306CS..EExtended strand (participates in β ladder)trans-79.9121.2173.3-151.9-30.3000111.5Y216 R217 V218 R303 D341 P342Y216-D339 HydrophobicContact CD1-CB 3.73Å; R217-D339 PolarHBondContact N-OD2 2.85Å; V218-D339 PolarHBondContact N-OD1 3.13Å; R303-D339 PolarHBondContact NH1-O 3.01Å; D339-D341 PolarHBondContact OD1-N 3.17Å; D339-P342 HydrophobicContact CB-CB 4.26Å
340G92.3Very high77.6Confident9 Ų966.8 Ų66.89%0.09335%0.348CS..SBendtrans-71.7-26.7174.900000114V218V218-G340 PolarHBondContact O-N 3.47Å
341D85.3Confident75Confident47 Ų4775.4 Ų75.425%0.25139%0.388SS..SBendtrans-135.367.9178.1-172.538.7000110.5R217 V218 Y265 D339R217-D341 IonicContact CZ-OD2 3.48Å; R217-D341 IonicContact NH1-OD2 2.72Å; R217-D341 PolarHBondContact NH1-OD2 3.13Å; V218-D341 HydrophobicContact CB-CB 4.3Å; V218-D341 HydrophobicContact CG2-CB 3.78Å; Y265-D341 HydrophobicContact CD1-CB 4.49Å; Y265-D341 HydrophobicContact CE1-CB 4.16Å; D339-D341 PolarHBondContact OD1-N 3.17Å
342P78.9Confident72.4Confident60 Ų6086 Ų8639%0.3943%0.425SS..PPolyproline II helixtrans-61.7149-178.127.3-34000110.4D339 R344D339-P342 HydrophobicContact CB-CB 4.26Å; P342-R344 PolarHBondContact O-N 3.33Å
343P70.2Confident69.6Low106 Ų10689.2 Ų89.269%0.68846%0.459SS*.PPolyproline II helixtrans-53.5129176.3-2130.3000110.1T345P343-T345 PolarHBondContact O-N 2.89Å
344R66.8Low66.8Low238 Ų23892.6 Ų92.690%0.89849%0.493SS*.PPolyproline II helixtrans-59.5117.1173.6-66.4-175-178.9-1450.3107.5P342P342-R344 PolarHBondContact O-N 3.33Å
345T56.8Low64Low104 Ų104101.9 Ų101.964%0.63854%0.537SS*.PPolyproline II helixtrans-57.1128.5168.141.30000107P343 A347P343-T345 PolarHBondContact O-N 2.89Å; T345-A347 PolarHBondContact O-N 2.92Å
346P46.3Very low61.1Low122 Ų122110.5 Ų110.579%0.79258%0.576SS**  trans-59.8110176.420.8-28.3000106.7R348P346-R348 PolarHBondContact O-N 3.33Å; P346-R348 VanDerWaalsContact O-N 3.16Å
347A44.7Very low58.1Low92 Ų92113.8 Ų113.876%0.7661%0.61SS**  trans-50.8127.4167.900000106T345T345-A347 PolarHBondContact O-N 2.92Å
348R45Very low55.1Low200 Ų200121.8 Ų121.876%0.75565%0.653SS**  trans-43.6136.3174.6-76.2179165.8-169.4-6.2108P346 R350P346-R348 PolarHBondContact O-N 3.33Å; P346-R348 VanDerWaalsContact O-N 3.16Å; R348-R350 PolarHBondContact O-N 3.29Å
349P41.3Very low52.5Low118 Ų118130.4 Ų130.477%0.76669%0.693SS**  trans-50.2116.1170.3-18.628.6000106H351P349-H351 PolarHBondContact O-N 2.74Å
350R40.8Very low49.6Very low239 Ų239137.2 Ų137.290%0.90273%0.73SS**  trans-53.1116.8163.9-78.1-176.2168.2-178.5-4.4103.3R348 R352R348-R350 PolarHBondContact O-N 3.29Å; R350-R352 PolarHBondContact O-N 2.98Å
351H40.3Very low46.9Very low193 Ų193145.7 Ų145.789%0.89477%0.767SS**  trans-53.699.7169.4-106.9-77.4000105.2P349 G353P349-H351 PolarHBondContact O-N 2.74Å; H351-G353 PolarHBondContact O-N 3.11Å
352R36.3Very low44.7Very low241 Ų241148.7 Ų148.791%0.90979%0.789SS**  trans-72.385.4166.6-151.4179.8-156.2-147.83.6102.7R350 G354R350-R352 PolarHBondContact O-N 2.98Å; R352-G354 PolarHBondContact O-N 2.92Å; R352-G354 VanDerWaalsContact O-N 3.09Å
353G36.3Very low42.4Very low68 Ų68150.8 Ų150.870%0.70181%0.805SS**  trans-53.6113.1156.100000104.8H351 E355H351-G353 PolarHBondContact O-N 3.11Å; G353-E355 PolarHBondContact O-N 2.89Å
354G38.4Very low40.7Very low70 Ų70153.2 Ų153.272%0.72281%0.812SS**  trans-70.9118.6174.100000107.6R352R352-G354 PolarHBondContact O-N 2.92Å; R352-G354 VanDerWaalsContact O-N 3.09Å
355E38.5Very low39.2Very low196 Ų196151.2 Ų151.292%0.91681%0.813SS**  trans-132126144-69.7-173.3159.900105.9G353G353-E355 PolarHBondContact O-N 2.89Å
356E38.6Very low38.1Very low200 Ų200155.3 Ų155.394%0.93583%0.825SS**  trans-82.1152.7176.5-63.5175.9151.100109.6
357G35.1Very low37.5Very low69 Ų69159.1 Ų159.171%0.71183%0.832SS**  trans88.9132.7171.500000113
358D33.6Very low36.9Very low168 Ų168163 Ų16390%0.89884%0.835SS**  cis-150.7157.511.9-89.6-41.3000108.7
359E42Very low36.3Very low183 Ų183162.4 Ų162.486%0.85584%0.84SS**  trans-65.4130.8165.9-62.4174.816400109.4
360D33.4Very low35.7Very low159 Ų159160.6 Ų160.685%0.8584%0.843SS**  trans-169.4111.7147.6-89.1-33.2000109.3
361E36.5Very low35.2Very low186 Ų186158.4 Ų158.487%0.86984%0.843SS**  trans-70.7145.7149.6-78.6-166.8165.500107.6
362P39.9Very low34.8Very low110 Ų110158.1 Ų158.171%0.71484%0.842SS**  -152.2158.497.340-22.2000116.6
363S29.2Very low34.5Very low104 Ų104155.7 Ų155.773%0.72784%0.841SS**  trans52.2130.513565.70000122.7
364D35.1Very low34.1Very low158 Ų158155.7 Ų155.785%0.84584%0.841SS**  trans-37.3133.4157.9-56.8-51.9000114.4
365E34.7Very low33.6Very low195 Ų195156.4 Ų156.491%0.91184%0.84SS**  trans-146.6129138.3-68.5-165.816500109.3
366E34.8Very low33.1Very low190 Ų190157.4 Ų157.489%0.88884%0.842SS**  trans-72.2146.6166-60.417516100109.3
367E32.4Very low32.7Very low202 Ų202151.3 Ų151.394%0.94483%0.833SS**  trans-166.7136.6138.2-108.5174.5-156.600111.4
368E32.4Very low32.4Very low174 Ų174157.4 Ų157.481%0.81384%0.84SS**  trans-82.7171.3177.4-79.6-172.113400113.1
369E32.1Very low32.4Very low188 Ų188155.3 Ų155.388%0.87984%0.836SS**  trans94.8135.5150.3-56.9-153.8166.300119.5
370G29.2Very low31.7Very low79 Ų79157.2 Ų157.281%0.81484%0.835SS**  trans145.782.3157.600000115.2
371E30.9Very low31.5Very low194 Ų194155.1 Ų155.191%0.90783%0.833SS**  trans-58.5145.6159.9-59.3176148.900111.3
372E31.8Very low31.2Very low187 Ų187151.3 Ų151.387%0.87483%0.827SS**  176.7164112-119.8-169168.900113.6
373E29Very low30.7Very low189 Ų189150.9 Ų150.988%0.88383%0.826SS**  trans-73.3171.6-164.9-52.5-168.214200117.3
374G29.1Very low30.8Very low69 Ų69152 Ų15271%0.71183%0.829SS**  trans149.178.7161.300000113
375A28.3Very low30.5Very low85 Ų85149.7 Ų149.770%0.70283%0.825SS**  74.1123.585.300000115.6
376F27.4Very low30.3Very low216 Ų216145 Ų14595%0.94782%0.82SS**  trans74.1127.9157.7-67.4-80.4000121.4
377G28.8Very low30.2Very low73 Ų73141.2 Ų141.275%0.75382%0.821SS**  trans158.556.4148.600000118.4
378F29.2Very low30.1Very low197 Ų197135.5 Ų135.586%0.86482%0.817SS**  trans-65.3152.5154.1-94.9-86.8000109.8
379P34.4Very low29.9Very low124 Ų124130.8 Ų130.881%0.80582%0.815SS**  -131143.8116.930.8-18.6000113.6
380R27.5Very low29.9Very low223 Ų223129.9 Ų129.984%0.84282%0.815SS**  trans-86.6163.1166.2-82.2177.3124.5-157.82.5110.8
381S29.1Very low30Very low115 Ų115131.8 Ų131.880%0.80482%0.816SS**  trans84.7145148.9820000115.4
382S30Very low29.9Very low105 Ų105126.4 Ų126.473%0.73481%0.812SS**  cis-162.9159.224.239.70000112.4
383S30.1Very low29.8Very low101 Ų101121.5 Ų121.571%0.70681%0.812SS**  trans-31151.3162.352.20000120.2
384T29.6Very low29.9Very low129 Ų129116 Ų11679%0.79181%0.807SS**  167.7110.7124.931.80000109.7
385S30.3Very low30Very low108 Ų108118.3 Ų118.376%0.75581%0.811SS**  82.6118.590.370.30000117.1
386A30.5Very low30.1Very low98 Ų98118.3 Ų118.381%0.8182%0.82SS**  trans79.5120.5138.400000122.8
387A32.3Very low30.3Very low110 Ų110119.1 Ų119.191%0.90982%0.817SS**  trans64.4127.6130.800000121.8
388G29.7Very low30.6Very low82 Ų82119.8 Ų119.885%0.84581%0.81SS**  trans162.1111.415900000112.1
389G28.8Very low30.9Very low75 Ų75115.6 Ų115.677%0.77381%0.805SS**  trans-93.5171.9-177.800000115.4
390L31.5Very low30.8Very low169 Ų169117.9 Ų117.989%0.88580%0.804SS**  trans92.8114154.4-60172000120.7
391S32.1Very low31.1Very low118 Ų118117.8 Ų117.883%0.82580%0.804SS**  trans67.4123.413264.10000121.5
392G29.4Very low31.4Very low81 Ų81116.4 Ų116.484%0.83580%0.799SS**  trans164.1107.8158.800000111.8
393G28.7Very low31.6Very low85 Ų85114.4 Ų114.488%0.87680%0.795SS**  trans-81.3173.4-167.600000117
394G30.7Very low32.1Very low74 Ų74117.9 Ų117.976%0.76380%0.801SS**  trans98.893.214900000116.9
395S32.3Very low33.1Very low116 Ų116116.2 Ų116.281%0.81180%0.8SS**  trans15480.8130.8-70.30000110R397S395-R397 VanDerWaalsContact C-N 3.32Å; S395-R397 PolarHBondContact O-N 2.87Å
396G28.9Very low34.7Very low86 Ų86115.7 Ų115.789%0.88780%0.796SS**  trans-6986.9172.800000110.6S398G396-S398 PolarHBondContact O-N 3.28Å
397R32.7Very low36.5Very low233 Ų233115.2 Ų115.288%0.87979%0.787SS**  trans-64.8112.5160.8-70.6174.682.2-1794.9106.4S395 S399S395-R397 VanDerWaalsContact C-N 3.32Å; S395-R397 PolarHBondContact O-N 2.87Å; R397-S399 VanDerWaalsContact C-N 3.32Å; R397-S399 PolarHBondContact O-N 3.47Å
398S35.2Very low38.6Very low87 Ų87111.7 Ų111.761%0.60876%0.755SS**  trans-47.896.2164.7167.60000108.9G396 H400G396-S398 PolarHBondContact O-N 3.28Å; S398-H400 VanDerWaalsContact C-N 3.31Å; S398-H400 PolarHBondContact O-N 3.41Å; S398-H400 VanDerWaalsContact O-N 3.13Å; S398-H400 PolarHBondContact OG-NE2 3.39Å
399S34.7Very low41.2Very low109 Ų109112.3 Ų112.376%0.76274%0.736SS**  trans-73.799.1159.859.80000105.2R397 R401R397-S399 VanDerWaalsContact C-N 3.32Å; R397-S399 PolarHBondContact O-N 3.47Å; S399-R401 PolarHBondContact O-N 3.27Å
400H32.4Very low44.3Very low171 Ų171109.5 Ų109.579%0.79270%0.703SS**  trans-55.498.2165.1-75.8-76.6000107.3S398 A402S398-H400 VanDerWaalsContact C-N 3.31Å; S398-H400 PolarHBondContact O-N 3.41Å; S398-H400 VanDerWaalsContact O-N 3.13Å; S398-H400 PolarHBondContact OG-NE2 3.39Å; H400-A402 PolarHBondContact O-N 2.96Å
401R34.5Very low47.4Very low222 Ų222102.1 Ų102.184%0.83867%0.665SS**PPolyproline II helixtrans-57.7125.7174.1-140.3176.9-173.6-153.62106.6S399 G403S399-R401 PolarHBondContact O-N 3.27Å; R401-G403 PolarHBondContact O-N 3.32Å
402A34.5Very low50.6Low85 Ų8596.5 Ų96.570%0.70263%0.625SS**PPolyproline II helixtrans-46.3135.1177.300000110.4H400 E404H400-A402 PolarHBondContact O-N 2.96Å; A402-E404 PolarHBondContact O-N 2.96Å
403G34.8Very low53.8Low63 Ų6394 Ų9465%0.64959%0.591SS**PPolyproline II helixtrans-51.5118-169.100000113.3R401 A405R401-G403 PolarHBondContact O-N 3.32Å; G403-A405 PolarHBondContact O-N 2.95Å
404E40.7Very low57.1Low174 Ų17490 Ų9081%0.81355%0.549SS*.PPolyproline II helixtrans-59.1117.2159.8-84.7173.4161.800107.4A402 S406A402-E404 PolarHBondContact O-N 2.96Å; E404-S406 PolarHBondContact O-N 3.16Å; E404-S406 VanDerWaalsContact O-N 3.15Å
405A50Low60.2Low94 Ų9487.8 Ų87.878%0.77752%0.52SS*.PPolyproline II helixtrans-53.4121.516000000106.8G403 S407G403-A405 PolarHBondContact O-N 2.95Å; A405-S407 PolarHBondContact O-N 3.13Å; A405-S407 VanDerWaalsContact O-N 3.13Å
406S64.1Low63.2Low97 Ų9784.4 Ų84.468%0.67849%0.493SS*.PPolyproline II helixtrans-57.4123.4-177.665.50000108.9E404E404-S406 PolarHBondContact O-N 3.16Å; E404-S406 VanDerWaalsContact O-N 3.15Å
407S68.1Low66.3Low88 Ų8880.3 Ų80.362%0.61545%0.45SS*.PPolyproline II helixtrans-52.5142.8173.255.80000110A405 E409A405-S407 PolarHBondContact O-N 3.13Å; A405-S407 VanDerWaalsContact O-N 3.13Å; S407-E409 PolarHBondContact O-N 3.2Å
408P76.3Confident69.1Low36 Ų3670 Ų7023%0.23442%0.415CS..PPolyproline II helixtrans-58.3138-179.325.7-34.6000110.7E305 L306 P309 V410E305-P408 HydrophobicContact CB-CG 4.07Å; E305-P408 HydrophobicContact CG-CB 4.32Å; E305-P408 HydrophobicContact CG-CG 3.84Å; E305-P408 WeakPolarHBondContact O-CG 3.11Å; L306-P408 HydrophobicContact CD2-CB 3.75Å; L306-P408 HydrophobicContact CD2-CG 3.98Å; P309-P408 HydrophobicContact CG-CG 4.37Å; P408-V410 PolarHBondContact O-N 2.78Å
409E85.8Confident71.9Confident96 Ų9668.2 Ų68.245%0.44940%0.397SS..  trans-74112.6179.1-167.7170.9-166.400109.5R215 Y216 S407R215-E409 VanDerWaalsContact CD-OE1 3.29Å; R215-E409 WeakPolarHBondContact CD-OE1 3.42Å; R215-E409 IonicContact NH1-OE1 2.89Å; Y216-E409 HydrophobicContact CE1-CB 4.2Å; Y216-E409 HydrophobicContact CE1-CG 4.01Å; Y216-E409 WeakPolarHBondContact CE1-O 3.38Å; S407-E409 PolarHBondContact O-N 3.2Å
410V94.1Very high74.6Confident15 Ų1563 Ų639%0.09136%0.361CS..EExtended strand (participates in β ladder)trans-123.2137176.2169.60000108.3L306 P309 V310 I337 P408 V412L306-V410 HydrophobicContact CD2-CG2 3.72Å; P309-V410 HydrophobicContact CB-CB 4.39Å; P309-V410 HydrophobicContact CB-CG2 4.3Å; V310-V410 HydrophobicContact CG2-CG1 3.48Å; V310-V410 VanDerWaalsContact CG2-CG1 3.48Å; V310-V410 HydrophobicContact CG2-CG2 4.45Å; I337-V410 CarbonylContact O-C 3.58Å; I337-V410 WeakPolarHBondContact O-CA 3.42Å; P408-V410 PolarHBondContact O-N 2.78Å; V410-V412 HydrophobicContact CG1-CG2 4.12Å
411D96.3Very high77.4Confident14 Ų1455.3 Ų55.38%0.07533%0.326CS..EExtended strand (participates in β ladder)trans-117.6141.2169.5-154.3-6000111.3Y216 I337 R413Y216-D411 WeakPolarHBondContact OH-CB 3.3Å; Y216-D411 PolarHBondContact OH-N 3.47Å; I337-D411 PolarHBondContact N-O 3.27Å; I337-D411 PolarHBondContact O-N 2.86Å; D411-R413 VanDerWaalsContact CG-NE 3.35Å; D411-R413 WeakPolarHBondContact OD1-CD 3.45Å; D411-R413 WeakPolarHBondContact OD1-CG 3.38Å; D411-R413 IonicContact OD1-CZ 3.45Å; D411-R413 IonicContact OD1-NE 2.71Å; D411-R413 PolarHBondContact OD1-NE 3.31Å; D411-R413 IonicContact OD1-NH2 3.56Å; D411-R413 IonicContact OD2-CZ 2.78Å; D411-R413 IonicContact OD2-NE 3.4Å; D411-R413 PolarHBondContact OD2-NE 3.06Å; D411-R413 VanDerWaalsContact OD2-NE 3.08Å; D411-R413 IonicContact OD2-NH2 3.19Å; D411-R413 PolarHBondContact OD2-NH2 3.01Å
412V97.9Very high80Confident0 Ų045 Ų450%029%0.288CS..EExtended strand (participates in β ladder)trans-135112.4177.3-175.30000108.2R313 L314 M317 L334 L335 I336 V410R313-V412 HydrophobicContact CB-CB 3.91Å; R313-V412 HydrophobicContact CB-CG2 3.78Å; R313-V412 HydrophobicContact CG-CG2 4.34Å; L314-V412 HydrophobicContact CD2-CG1 3.76Å; L314-V412 HydrophobicContact CG-CG1 4.49Å; M317-V412 HydrophobicContact CE-CG1 3.78Å; L334-V412 HydrophobicContact CD1-CG1 4.39Å; L334-V412 HydrophobicContact CD2-CG1 3.95Å; L334-V412 HydrophobicContact CG-CG1 4.2Å; L335-V412 CarbonylContact O-C 3.57Å; L335-V412 VanDerWaalsContact O-CA 3.28Å; L335-V412 WeakPolarHBondContact O-CA 3.46Å; I336-V412 HydrophobicContact CG1-CG1 4.43Å; I336-V412 HydrophobicContact CG1-CG2 4.47Å; I336-V412 HydrophobicContact CG2-CG2 4.38Å; V410-V412 HydrophobicContact CG1-CG2 4.12Å
413R97.7Very high82.5Confident29 Ų2946.2 Ų46.211%0.10927%0.274CS..EExtended strand (participates in β ladder)trans-133.9147-172.4-59.9-68.9-175.611422.4112F66 T67 E210 L212 L334 L335 D411F66-R413 CarbonylContact O-C 3.53Å; F66-R413 WeakPolarHBondContact O-CA 3.31Å; T67-R413 PolarHBondContact O-NH1 3.24Å; E210-R413 IonicContact OE1-NH2 3.62Å; E210-R413 IonicContact OE2-CZ 3.56Å; E210-R413 IonicContact OE2-NH1 2.74Å; E210-R413 PolarHBondContact OE2-NH1 2.96Å; E210-R413 IonicContact OE2-NH2 3.52Å; L212-R413 HydrophobicContact CD1-CB 3.74Å; L212-R413 HydrophobicContact CD1-CG 3.61Å; L212-R413 HydrophobicContact CD2-CG 3.88Å; L212-R413 HydrophobicContact CG-CG 4.39Å; L334-R413 CarbonylContact C-O 3.54Å; L334-R413 WeakPolarHBondContact CA-O 3.14Å; L335-R413 PolarHBondContact N-O 2.63Å; L335-R413 PolarHBondContact O-N 3.45Å; D411-R413 VanDerWaalsContact CG-NE 3.35Å; D411-R413 WeakPolarHBondContact OD1-CD 3.45Å; D411-R413 WeakPolarHBondContact OD1-CG 3.38Å; D411-R413 IonicContact OD1-CZ 3.45Å; D411-R413 IonicContact OD1-NE 2.71Å; D411-R413 PolarHBondContact OD1-NE 3.31Å; D411-R413 IonicContact OD1-NH2 3.56Å; D411-R413 IonicContact OD2-CZ 2.78Å; D411-R413 IonicContact OD2-NE 3.4Å; D411-R413 PolarHBondContact OD2-NE 3.06Å; D411-R413 VanDerWaalsContact OD2-NE 3.08Å; D411-R413 IonicContact OD2-NH2 3.19Å; D411-R413 PolarHBondContact OD2-NH2 3.01Å
414M97.6Very high84.8Confident1 Ų150.4 Ų50.41%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-85.3140.1164.5-65.4179.964.900110.1M63 F66 T67 P68 M317 L321 F329 S333 F417 F439M63-M414 HydrophobicContact CE-CE 3.84Å; M63-M414 HydrophobicContact CE-SD 3.56Å; M63-M414 VanDerWaalsContact CE-SD 3.56Å; F66-M414 PolarHBondContact O-N 3.11Å; T67-M414 HydrophobicContact CG2-CB 4.41Å; P68-M414 WeakPolarHBondContact CD-O 3.45Å; M317-M414 HydrophobicContact CE-CG 3.89Å; M317-M414 HydrophobicContact CG-SD 4.33Å; M317-M414 HydrophobicContact SD-CG 3.71Å; M317-M414 HydrophobicContact SD-SD 4Å; L321-M414 HydrophobicContact CD1-SD 4.01Å; L321-M414 HydrophobicContact CD2-CE 3.95Å; L321-M414 HydrophobicContact CD2-SD 3.8Å; L321-M414 HydrophobicContact CG-SD 4.21Å; F329-M414 HydrophobicContact CB-CE 4.42Å; F329-M414 HydrophobicContact CD1-CE 3.9Å; F329-M414 HydrophobicContact CD2-CE 4.18Å; F329-M414 HydrophobicContact CE1-CE 4.2Å; F329-M414 HydrophobicContact CE2-CE 4.45Å; F329-M414 HydrophobicContact CG-CE 3.9Å; F329-M414 HydrophobicContact CZ-CE 4.47Å; S333-M414 CarbonylContact O-C 3.6Å; S333-M414 WeakPolarHBondContact O-CA 3.41Å; M414-F417 HydrophobicContact CB-CE1 4Å; M414-F417 HydrophobicContact CB-CZ 3.78Å; M414-F417 HydrophobicContact CE-CE1 4.38Å; M414-F417 WeakPolarHBondContact O-CZ 3.47Å; M414-F439 HydrophobicContact CE-CD2 4.27Å; M414-F439 HydrophobicContact CE-CE1 3.99Å; M414-F439 HydrophobicContact CE-CE2 3.46Å; M414-F439 VanDerWaalsContact CE-CE2 3.46Å; M414-F439 HydrophobicContact CE-CZ 3.3Å; M414-F439 HydrophobicContact CG-CZ 4.13Å; M414-F439 HydrophobicContact SD-CE1 4.28Å; M414-F439 HydrophobicContact SD-CZ 3.92Å
415I96.2Very high86.8Confident27 Ų2742.4 Ų42.414%0.13824%0.239CC..EExtended strand (participates in β ladder)trans-139172.3177.664.5171.8000110.7P68 S332 S333 L335P68-I415 HydrophobicContact CG-CG2 3.96Å; S332-I415 WeakPolarHBondContact CB-O 3.48Å; S333-I415 PolarHBondContact N-O 3.36Å; S333-I415 PolarHBondContact O-N 3.49Å; L335-I415 HydrophobicContact CB-CD1 4.49Å; L335-I415 HydrophobicContact CD1-CD1 4.33Å
416D94.3Very high87.9Confident45 Ų4541.8 Ų41.824%0.24124%0.242CC..  trans62.778.3177.5-67.2-14.8000114.1K46 K225 S332K46-D416 IonicContact NZ-OD1 3.63Å; K225-D416 IonicContact NZ-OD2 3.67Å; S332-D416 WeakPolarHBondContact CA-O 3.44Å; S332-D416 WeakPolarHBondContact CB-O 3.45Å; S332-D416 PolarHBondContact OG-O 2.94Å
417F94.8Very high88.4Confident0 Ų044 Ų440%024%0.241CC..  trans-100.317.5-177.3-52-69.2000114E52 F55 Y56 T67 F329 M414 H419 T420E52-F417 HydrophobicContact CG-CB 4.18Å; E52-F417 PolarHBondContact OE1-N 3.18Å; E52-F417 VanDerWaalsContact OE1-N 3.09Å; F55-F417 HydrophobicContact CB-CB 3.89Å; F55-F417 HydrophobicContact CD1-CB 3.48Å; F55-F417 VanDerWaalsContact CD1-CB 3.48Å; F55-F417 AromaticContact CD1-CD1 3.76Å; F55-F417 HydrophobicContact CD1-CD1 3.76Å; F55-F417 AromaticContact CD1-CD2 3.33Å; F55-F417 HydrophobicContact CD1-CD2 3.33Å; F55-F417 HydrophobicContact CD1-CE1 4.33Å; F55-F417 AromaticContact CD1-CE2 3.96Å; F55-F417 HydrophobicContact CD1-CE2 3.96Å; F55-F417 AromaticContact CD1-CG 3.21Å; F55-F417 HydrophobicContact CD1-CG 3.21Å; F55-F417 HydrophobicContact CD1-CZ 4.42Å; F55-F417 HydrophobicContact CD2-CB 4.42Å; F55-F417 HydrophobicContact CE1-CB 4.1Å; F55-F417 AromaticContact CE1-CD1 3.43Å; F55-F417 HydrophobicContact CE1-CD1 3.43Å; F55-F417 VanDerWaalsContact CE1-CD1 3.43Å; F55-F417 AromaticContact CE1-CD2 3.4Å; F55-F417 HydrophobicContact CE1-CD2 3.4Å; F55-F417 AromaticContact CE1-CE1 3.58Å; F55-F417 HydrophobicContact CE1-CE1 3.58Å; F55-F417 AromaticContact CE1-CE2 3.54Å; F55-F417 HydrophobicContact CE1-CE2 3.54Å; F55-F417 AromaticContact CE1-CG 3.34Å; F55-F417 HydrophobicContact CE1-CG 3.34Å; F55-F417 AromaticContact CE1-CZ 3.63Å; F55-F417 HydrophobicContact CE1-CZ 3.63Å; F55-F417 HydrophobicContact CE2-CD1 4.31Å; F55-F417 HydrophobicContact CG-CB 3.65Å; F55-F417 HydrophobicContact CG-CD1 4.3Å; F55-F417 HydrophobicContact CG-CD2 4.36Å; F55-F417 AromaticContact CG-CG 3.86Å; F55-F417 HydrophobicContact CG-CG 3.86Å; F55-F417 AromaticContact CZ-CD1 3.74Å; F55-F417 HydrophobicContact CZ-CD1 3.74Å; F55-F417 HydrophobicContact CZ-CD2 4.47Å; F55-F417 AromaticContact CZ-CE1 3.81Å; F55-F417 HydrophobicContact CZ-CE1 3.81Å; F55-F417 HydrophobicContact CZ-CG 4.09Å; F55-F417 HydrophobicContact CZ-CZ 4.21Å; Y56-F417 HydrophobicContact CD2-CD2 4.5Å; Y56-F417 HydrophobicContact CE1-CD2 4.42Å; Y56-F417 HydrophobicContact CE1-CE2 4.21Å; Y56-F417 AromaticContact CE2-CD2 3.76Å; Y56-F417 HydrophobicContact CE2-CD2 3.76Å; Y56-F417 HydrophobicContact CE2-CE2 4.26Å; Y56-F417 AromaticContact CZ-CD2 3.73Å; Y56-F417 AromaticContact CZ-CE2 3.73Å; Y56-F417 WeakPolarHBondContact OH-CE2 3.23Å; T67-F417 HydrophobicContact CG2-CE1 4.45Å; T67-F417 HydrophobicContact CG2-CE2 3.98Å; T67-F417 HydrophobicContact CG2-CZ 3.53Å; F329-F417 HydrophobicContact CD1-CD1 4.13Å; F329-F417 HydrophobicContact CD1-CE1 4.28Å; F329-F417 HydrophobicContact CE1-CD1 4.37Å; F329-F417 HydrophobicContact CE1-CE1 4.39Å; M414-F417 HydrophobicContact CB-CE1 4Å; M414-F417 HydrophobicContact CB-CZ 3.78Å; M414-F417 HydrophobicContact CE-CE1 4.38Å; M414-F417 WeakPolarHBondContact O-CZ 3.47Å; F417-H419 PolarHBondContact O-N 3.13Å; F417-T420 WeakPolarHBondContact CA-OG1 3.26Å; F417-T420 PolarHBondContact O-N 3.07Å; F417-T420 PolarHBondContact O-OG1 3.37Å
418A92.1Very high89.1Confident17 Ų1741.5 Ų41.514%0.1422%0.221CC..THydrogen-bonded Turntrans-64.4-19.6-176.400000114.2I49 R51 E52I49-A418 HydrophobicContact CD1-CB 3.73Å; I49-A418 HydrophobicContact CG2-CB 4.01Å; R51-A418 WeakPolarHBondContact CB-O 3.46Å; R51-A418 WeakPolarHBondContact CG-O 3.3Å; E52-A418 HydrophobicContact CB-CB 4.47Å
419H92.2Very high89.2Confident49 Ų4945.8 Ų45.823%0.22725%0.252CS..THydrogen-bonded Turntrans-12526.4179.7-57.5-42.3000111.5K239 Y330 F417K239-H419 PolarHBondContact NZ-CE1 3.26Å; K239-H419 PolarHBondContact NZ-NE2 3.34Å; K239-H419 VanDerWaalsContact NZ-NE2 3.17Å; Y330-H419 WeakPolarHBondContact CD2-O 3.41Å; Y330-H419 WeakPolarHBondContact O-CB 3.43Å; F417-H419 PolarHBondContact O-N 3.13Å
420T92.3Very high89.2Confident0 Ų044.1 Ų44.10%025%0.248CC..EExtended strand (participates in β ladder)trans-79.3134.5174-60.80000110.3R51 F55 Y327 R328 F329 F417R51-T420 WeakPolarHBondContact CD-O 3.26Å; F55-T420 HydrophobicContact CD2-CG2 3.68Å; F55-T420 HydrophobicContact CE2-CG2 3.95Å; Y327-T420 HydrophobicContact CD1-CG2 4.07Å; R328-T420 VanDerWaalsContact O-CA 3.23Å; R328-T420 WeakPolarHBondContact O-CA 3.38Å; R328-T420 WeakPolarHBondContact O-CG2 3.48Å; F329-T420 HydrophobicContact CD1-CG2 3.8Å; F329-T420 HydrophobicContact CE1-CG2 3.8Å; F417-T420 WeakPolarHBondContact CA-OG1 3.26Å; F417-T420 PolarHBondContact O-N 3.07Å; F417-T420 PolarHBondContact O-OG1 3.37Å
421T91.6Very high88.9Confident9 Ų947.6 Ų47.66%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-119.8153.1174.665.20000110.5Y327 R328 Y330 D428Y327-T421 WeakPolarHBondContact CA-O 3.33Å; R328-T421 PolarHBondContact N-O 2.81Å; R328-T421 PolarHBondContact O-N 3.06Å; Y330-T421 HydrophobicContact CE2-CG2 4.47Å; T421-D428 WeakPolarHBondContact CA-OD2 3.47Å; T421-D428 WeakPolarHBondContact CB-OD2 3.35Å; T421-D428 WeakPolarHBondContact CG2-OD2 3.45Å
422C89.3Confident88.5Confident6 Ų648.4 Ų48.44%0.04127%0.272CS..  trans-155.5149.5179.7178.50000109.1Y327 H424 Y425Y327-C422 HydrophobicContact CD1-CB 3.85Å; Y327-C422 HydrophobicContact CE1-CB 3.69Å; Y327-C422 HydrophobicContact CG-CB 4.34Å; Y327-C422 VanDerWaalsContact CZ-SG 3.52Å; C422-H424 PolarHBondContact O-N 2.64Å; C422-Y425 HydrophobicContact CB-CD1 4.2Å; C422-Y425 HydrophobicContact CB-CD2 4.03Å; C422-Y425 HydrophobicContact CB-CE1 4.11Å; C422-Y425 HydrophobicContact CB-CE2 3.98Å; C422-Y425 HydrophobicContact CB-CG 4.14Å; C422-Y425 WeakPolarHBondContact O-CB 3.35Å; C422-Y425 PolarHBondContact O-N 3.06Å
423R86.4Confident88Confident111 Ų11155.2 Ų55.242%0.41930%0.304SS..THydrogen-bonded Turntrans-52.5-31.8177.9176.2-179.4-60.9-164.2-4.6113.8S326 Y425 V431 E433S326-R423 PolarHBondContact OG-N 3.22Å; R423-Y425 PolarHBondContact O-N 3.03Å; R423-V431 HydrophobicContact CB-CG1 4Å; R423-V431 HydrophobicContact CG-CG1 3.79Å; R423-E433 IonicContact CZ-OE1 3.68Å; R423-E433 IonicContact NH1-OE1 4Å; R423-E433 VanDerWaalsContact NH2-CD 3.34Å; R423-E433 VanDerWaalsContact NH2-CG 3.27Å; R423-E433 IonicContact NH2-OE1 2.7Å; R423-E433 PolarHBondContact NH2-OE1 3.26Å
424H82.7Confident87.7Confident150 Ų15055.6 Ų55.669%0.69432%0.317SS*.THydrogen-bonded Turntrans-78.8-6.9-178.6-56-59.1000113.3C422 G426C422-H424 PolarHBondContact O-N 2.64Å; H424-G426 PolarHBondContact O-N 2.88Å
425Y83.7Confident87.5Confident6 Ų659.8 Ų59.82%0.02434%0.337CS..  trans-86.495.4175.4-60.7-7.9000108.4Q54 F55 C422 R423 E427 D428Q54-Y425 HydrophobicContact CG-CD1 4.47Å; Q54-Y425 HydrophobicContact CG-CE1 4.24Å; F55-Y425 WeakPolarHBondContact CA-OH 3.49Å; F55-Y425 WeakPolarHBondContact CD2-OH 3.22Å; C422-Y425 HydrophobicContact CB-CD1 4.2Å; C422-Y425 HydrophobicContact CB-CD2 4.03Å; C422-Y425 HydrophobicContact CB-CE1 4.11Å; C422-Y425 HydrophobicContact CB-CE2 3.98Å; C422-Y425 HydrophobicContact CB-CG 4.14Å; C422-Y425 WeakPolarHBondContact O-CB 3.35Å; C422-Y425 PolarHBondContact O-N 3.06Å; R423-Y425 PolarHBondContact O-N 3.03Å; Y425-E427 PolarHBondContact O-N 3.16Å; Y425-D428 WeakPolarHBondContact CB-OD2 3.39Å; Y425-D428 PolarHBondContact O-N 3.24Å; Y425-D428 VanDerWaalsContact O-N 3.16Å
426G71.7Confident87.4Confident82 Ų8259.3 Ų59.385%0.84533%0.334SS*.THydrogen-bonded Turntrans-63.7-2.2-175.600000116H424H424-G426 PolarHBondContact O-N 2.88Å
427E76.4Confident87.4Confident143 Ų14361.7 Ų61.767%0.66836%0.355SS*.THydrogen-bonded Turntrans-90.7-14.8177.6-62.8176-177.200113.2R51 Y425R51-E427 IonicContact CZ-OE2 3.75Å; R51-E427 IonicContact NH2-OE2 3.36Å; R51-E427 PolarHBondContact NH2-OE2 3.17Å; Y425-E427 PolarHBondContact O-N 3.16Å
428D81.3Confident87.4Confident36 Ų3662.1 Ų62.119%0.19336%0.36CS..  trans-83.2127-171.8-63.6-12.8000110.8R51 T421 Y425 V430R51-D428 IonicContact CZ-OD1 3.87Å; R51-D428 IonicContact NH1-OD1 2.89Å; R51-D428 PolarHBondContact NH1-OD1 3.46Å; R51-D428 IonicContact NH1-OD2 3.33Å; R51-D428 IonicContact NH2-OD1 3.73Å; R51-D428 PolarHBondContact NH2-OD1 3.48Å; T421-D428 WeakPolarHBondContact CA-OD2 3.47Å; T421-D428 WeakPolarHBondContact CB-OD2 3.35Å; T421-D428 WeakPolarHBondContact CG2-OD2 3.45Å; Y425-D428 WeakPolarHBondContact CB-OD2 3.39Å; Y425-D428 PolarHBondContact O-N 3.24Å; Y425-D428 VanDerWaalsContact O-N 3.16Å; D428-V430 PolarHBondContact O-N 3.47Å
429S79.5Confident87.7Confident126 Ų12661.4 Ų61.488%0.88135%0.353SS*.SBendtrans-71.8-18.5179.9-51.70000113.6
430V85.8Confident87.9Confident61 Ų6159.5 Ų59.537%0.3735%0.345SS..SBendtrans-120121.8-178.9-178.30000108.6D233 D428D233-V430 HydrophobicContact CB-CB 4.1Å; D233-V430 HydrophobicContact CB-CG2 3.85Å; D428-V430 PolarHBondContact O-N 3.47Å
431V86.4Confident88.2Confident87 Ų8763.4 Ų63.453%0.52736%0.362SS..  trans-97.8120.9174-179.60000108.6R423R423-V431 HydrophobicContact CB-CG1 4Å; R423-V431 HydrophobicContact CG-CG1 3.79Å
432H88.9Confident88.5Confident31 Ų3163 Ų6314%0.14436%0.359CS..  trans-91.6149.6177.3-67.9-85.3000111.3D233 S326 R328 Y330D233-H432 IonicContact OD1-NE2 2.91Å; D233-H432 IonicContact OD2-CD2 2.92Å; D233-H432 IonicContact OD2-CE1 3.53Å; D233-H432 IonicContact OD2-NE2 3.13Å; D233-H432 PolarHBondContact OD2-NE2 2.78Å; S326-H432 VanDerWaalsContact CB-O 3.24Å; S326-H432 WeakPolarHBondContact CB-O 3.45Å; R328-H432 HydrophobicContact CG-CB 3.94Å; Y330-H432 PolarHBondContact OH-CE1 3.26Å; Y330-H432 PolarHBondContact OH-NE2 3Å
433E88.3Confident88.9Confident144 Ų14462.7 Ų62.767%0.67336%0.357SS*.  trans-121.4153.6172.8-48.8-149.7124.600110.6R328 R423R328-E433 PolarHBondContact NH2-O 3.26Å; R423-E433 IonicContact CZ-OE1 3.68Å; R423-E433 IonicContact NH1-OE1 4Å; R423-E433 VanDerWaalsContact NH2-CD 3.34Å; R423-E433 VanDerWaalsContact NH2-CG 3.27Å; R423-E433 IonicContact NH2-OE1 2.7Å; R423-E433 PolarHBondContact NH2-OE1 3.26Å
434G90.2Very high89.5Confident37 Ų3761.2 Ų61.238%0.38136%0.355SS..SBendtrans67.5-165-178.100000113.7S326 R328S326-G434 PolarHBondContact N-O 3.23Å; R328-G434 PolarHBondContact NH1-O 2.99Å
435Q93.3Very high90.2Very high89 Ų8956 Ų5642%0.41633%0.333SS..  trans-82.6160.4-169.9-60.3170.2-16.300113E322 R328 S437 I440E322-Q435 WeakPolarHBondContact O-CG 3.27Å; E322-Q435 PolarHBondContact O-NE2 3.25Å; R328-Q435 PolarHBondContact NH1-O 3.42Å; R328-Q435 PolarHBondContact NH2-O 2.98Å; Q435-S437 VanDerWaalsContact C-N 3.33Å; Q435-S437 PolarHBondContact O-N 3.19Å; Q435-I440 HydrophobicContact CB-CD1 3.67Å; Q435-I440 HydrophobicContact CG-CD1 4.35Å
436D94.9Very high90.9Very high16 Ų1655.8 Ų55.89%0.08633%0.331CS..  trans-75.983.8170.1-168.2-23.1000110.7R328 F329 G438 F439 I440R328-D436 WeakPolarHBondContact CA-OD2 3.29Å; F329-D436 HydrophobicContact CD2-CB 4.39Å; F329-D436 PolarHBondContact N-OD2 3.17Å; D436-G438 PolarHBondContact O-N 2.97Å; D436-G438 PolarHBondContact OD1-N 3.45Å; D436-F439 HydrophobicContact CB-CB 4.1Å; D436-F439 PolarHBondContact O-N 3.44Å; D436-F439 PolarHBondContact OD1-N 3.15Å; D436-I440 WeakPolarHBondContact O-CB 3.35Å; D436-I440 VanDerWaalsContact O-CG1 3.3Å; D436-I440 WeakPolarHBondContact O-CG1 3.46Å; D436-I440 PolarHBondContact O-N 2.81Å
437S94.5Very high92.2Very high95 Ų9552.5 Ų52.566%0.66430%0.295SS*.Hα-helixtrans-59.3-31.1-178.559.80000113.3Q435 F441Q435-S437 VanDerWaalsContact C-N 3.33Å; Q435-S437 PolarHBondContact O-N 3.19Å; S437-F441 WeakPolarHBondContact O-CB 3.46Å; S437-F441 PolarHBondContact O-N 3.17Å
438G95.1Very high93.3Very high10 Ų1049.1 Ų49.110%0.10328%0.284CS..Hα-helixtrans-69.6-47.2179.100000111.8G227 D436 G442G227-G438 WeakPolarHBondContact CA-O 3.5Å; D436-G438 PolarHBondContact O-N 2.97Å; D436-G438 PolarHBondContact OD1-N 3.45Å; G438-G442 PolarHBondContact O-N 3.08Å
439F96.6Very high94.1Very high1 Ų147.9 Ų47.90%0.00428%0.277CS..Hα-helixtrans-66.1-46.2176.9-163.5-70.8000111.2M226 L321 F329 M414 D436 F441 G442 L443M226-F439 HydrophobicContact CB-CD1 4.39Å; M226-F439 HydrophobicContact CB-CD2 3.45Å; M226-F439 VanDerWaalsContact CB-CD2 3.45Å; M226-F439 HydrophobicContact CB-CE1 4.23Å; M226-F439 HydrophobicContact CB-CE2 3.28Å; M226-F439 HydrophobicContact CB-CG 4.03Å; M226-F439 HydrophobicContact CB-CZ 3.71Å; M226-F439 HydrophobicContact CE-CD1 4.49Å; M226-F439 HydrophobicContact CE-CE1 4.17Å; M226-F439 HydrophobicContact CG-CD2 4.25Å; M226-F439 HydrophobicContact CG-CE1 4.11Å; M226-F439 HydrophobicContact CG-CE2 3.61Å; M226-F439 HydrophobicContact CG-CZ 3.53Å; L321-F439 HydrophobicContact CD1-CD1 3.54Å; L321-F439 HydrophobicContact CD1-CE1 3.45Å; L321-F439 VanDerWaalsContact CD1-CE1 3.45Å; L321-F439 HydrophobicContact CD1-CZ 4.42Å; F329-F439 HydrophobicContact CB-CD2 3.76Å; F329-F439 HydrophobicContact CB-CE2 4.15Å; F329-F439 HydrophobicContact CG-CD2 4.47Å; M414-F439 HydrophobicContact CE-CD2 4.27Å; M414-F439 HydrophobicContact CE-CE1 3.99Å; M414-F439 HydrophobicContact CE-CE2 3.46Å; M414-F439 VanDerWaalsContact CE-CE2 3.46Å; M414-F439 HydrophobicContact CE-CZ 3.3Å; M414-F439 HydrophobicContact CG-CZ 4.13Å; M414-F439 HydrophobicContact SD-CE1 4.28Å; M414-F439 HydrophobicContact SD-CZ 3.92Å; D436-F439 HydrophobicContact CB-CB 4.1Å; D436-F439 PolarHBondContact O-N 3.44Å; D436-F439 PolarHBondContact OD1-N 3.15Å; F439-F441 VanDerWaalsContact C-N 3.34Å; F439-F441 PolarHBondContact O-N 3.42Å; F439-G442 PolarHBondContact O-N 3.34Å; F439-G442 VanDerWaalsContact O-N 3.14Å; F439-L443 PolarHBondContact O-N 2.69Å
440I97.2Very high94.9Very high10 Ų1041.9 Ų41.95%0.05124%0.235CC..Hα-helixtrans-60.9-43179.6-69.6168.5000110.9E322 Q435 D436 G442 L443 Q444E322-I440 HydrophobicContact CG-CD1 3.85Å; Q435-I440 HydrophobicContact CB-CD1 3.67Å; Q435-I440 HydrophobicContact CG-CD1 4.35Å; D436-I440 WeakPolarHBondContact O-CB 3.35Å; D436-I440 VanDerWaalsContact O-CG1 3.3Å; D436-I440 WeakPolarHBondContact O-CG1 3.46Å; D436-I440 PolarHBondContact O-N 2.81Å; I440-G442 VanDerWaalsContact C-N 3.32Å; I440-G442 PolarHBondContact O-N 2.93Å; I440-L443 PolarHBondContact O-N 2.58Å; I440-L443 VanDerWaalsContact O-N 3.15Å; I440-Q444 HydrophobicContact CG2-CG 4.21Å; I440-Q444 WeakPolarHBondContact O-CG 3.43Å; I440-Q444 PolarHBondContact O-N 2.94Å
441F98.1Very high95.5Very high81 Ų8139.8 Ų39.836%0.35522%0.223SC..Hα-helixtrans-58-43.6174.8175.5-105.4000112.2T228 S437 F439 L443 N445T228-F441 HydrophobicContact CG2-CD1 3.77Å; T228-F441 HydrophobicContact CG2-CE1 4.08Å; S437-F441 WeakPolarHBondContact O-CB 3.46Å; S437-F441 PolarHBondContact O-N 3.17Å; F439-F441 VanDerWaalsContact C-N 3.34Å; F439-F441 PolarHBondContact O-N 3.42Å; F441-L443 VanDerWaalsContact C-N 3.35Å; F441-N445 WeakPolarHBondContact CE1-ND2 3.41Å; F441-N445 VanDerWaalsContact CE2-ND2 3.27Å; F441-N445 WeakPolarHBondContact CE2-ND2 3.46Å; F441-N445 WeakPolarHBondContact CZ-ND2 3.39Å; F441-N445 PolarHBondContact O-N 2.76Å; F441-N445 VanDerWaalsContact O-N 3.12Å; F441-N445 PolarHBondContact O-ND2 2.9Å
442G98.1Very high96Very high0 Ų038.5 Ų38.50%021%0.211CC..Hα-helixtrans-61.6-42.5174.700000113I255 G256 G438 F439 I440 N445 L446I255-G442 WeakPolarHBondContact O-CA 3.23Å; G256-G442 WeakPolarHBondContact O-CA 3.26Å; G438-G442 PolarHBondContact O-N 3.08Å; F439-G442 PolarHBondContact O-N 3.34Å; F439-G442 VanDerWaalsContact O-N 3.14Å; I440-G442 VanDerWaalsContact C-N 3.32Å; I440-G442 PolarHBondContact O-N 2.93Å; G442-N445 PolarHBondContact O-N 3.05Å; G442-L446 WeakPolarHBondContact O-CB 3.48Å; G442-L446 PolarHBondContact O-N 2.78Å
443L98.1Very high96.2Very high0 Ų038.2 Ų38.20%021%0.211CC..Hα-helixtrans-66.6-42.8179.8-174.458.8000112.1M226 L314 M317 Q318 L321 L334 F439 I440 F441 L446 I447M226-L443 HydrophobicContact CE-CB 4.08Å; L314-L443 HydrophobicContact CB-CD1 4.24Å; L314-L443 HydrophobicContact CD2-CD1 3.66Å; L314-L443 HydrophobicContact CG-CD1 4.48Å; M317-L443 HydrophobicContact CG-CD2 4.43Å; Q318-L443 HydrophobicContact CB-CD2 3.62Å; Q318-L443 HydrophobicContact CB-CG 4.39Å; Q318-L443 HydrophobicContact CG-CD2 4.21Å; L321-L443 HydrophobicContact CD1-CD2 4.02Å; L334-L443 HydrophobicContact CD1-CD1 3.85Å; F439-L443 PolarHBondContact O-N 2.69Å; I440-L443 PolarHBondContact O-N 2.58Å; I440-L443 VanDerWaalsContact O-N 3.15Å; F441-L443 VanDerWaalsContact C-N 3.35Å; L443-L446 WeakPolarHBondContact O-CB 3.38Å; L443-L446 PolarHBondContact O-N 3.11Å; L443-I447 HydrophobicContact CD1-CD1 4.44Å; L443-I447 HydrophobicContact CG-CD1 4.11Å; L443-I447 VanDerWaalsContact O-CG1 3.31Å; L443-I447 WeakPolarHBondContact O-CG1 3.49Å; L443-I447 PolarHBondContact O-N 2.86Å
444Q98.5Very high96.4Very high81 Ų8134 Ų3438%0.37919%0.191SC..Hα-helixtrans-63.5-41.4176.8-73.4173.9-13.600112.3I440 I447 T448I440-Q444 HydrophobicContact CG2-CG 4.21Å; I440-Q444 WeakPolarHBondContact O-CG 3.43Å; I440-Q444 PolarHBondContact O-N 2.94Å; Q444-I447 PolarHBondContact O-N 2.94Å; Q444-T448 WeakPolarHBondContact O-CB 3.41Å; Q444-T448 PolarHBondContact O-N 3.44Å; Q444-T448 PolarHBondContact O-OG1 3.05Å
445N98.5Very high96.3Very high41 Ų4138.2 Ų38.222%0.21920%0.201CC..Hα-helixtrans-64.3-42.3173.7-80.7-72.8000111.4I255 F441 G442 T448 I449I255-N445 HydrophobicContact CB-CB 4.22Å; I255-N445 WeakPolarHBondContact O-CB 3.3Å; I255-N445 PolarHBondContact O-ND2 3.11Å; F441-N445 WeakPolarHBondContact CE1-ND2 3.41Å; F441-N445 VanDerWaalsContact CE2-ND2 3.27Å; F441-N445 WeakPolarHBondContact CE2-ND2 3.46Å; F441-N445 WeakPolarHBondContact CZ-ND2 3.39Å; F441-N445 PolarHBondContact O-N 2.76Å; F441-N445 VanDerWaalsContact O-N 3.12Å; F441-N445 PolarHBondContact O-ND2 2.9Å; G442-N445 PolarHBondContact O-N 3.05Å; N445-T448 PolarHBondContact O-N 2.74Å; N445-I449 VanDerWaalsContact O-CG1 3.25Å; N445-I449 WeakPolarHBondContact O-CG1 3.47Å; N445-I449 PolarHBondContact O-N 3.38Å
446L98.6Very high95.6Very high0 Ų040.6 Ų40.60%021%0.211CC..Hα-helixtrans-61.2-46.2176.5-177.763.1000111.8L224 F288 L292 L314 L334 G442 L443 T448 I449 I450L224-L446 HydrophobicContact CD1-CD1 3.77Å; L224-L446 HydrophobicContact CD1-CD2 3.58Å; L224-L446 HydrophobicContact CD1-CG 4.34Å; F288-L446 HydrophobicContact CE1-CD1 4.41Å; F288-L446 HydrophobicContact CZ-CD1 4.32Å; L292-L446 HydrophobicContact CD1-CD1 3.89Å; L292-L446 HydrophobicContact CD2-CD1 4.3Å; L314-L446 HydrophobicContact CD1-CD2 4.24Å; L314-L446 HydrophobicContact CD1-CG 4.3Å; L314-L446 HydrophobicContact CD2-CD2 4.16Å; L334-L446 HydrophobicContact CD1-CD2 4.48Å; L334-L446 HydrophobicContact CD2-CD2 4.29Å; G442-L446 WeakPolarHBondContact O-CB 3.48Å; G442-L446 PolarHBondContact O-N 2.78Å; L443-L446 WeakPolarHBondContact O-CB 3.38Å; L443-L446 PolarHBondContact O-N 3.11Å; L446-T448 VanDerWaalsContact C-N 3.32Å; L446-T448 PolarHBondContact O-N 3.45Å; L446-I449 PolarHBondContact O-N 2.71Å; L446-I450 HydrophobicContact CD1-CD1 3.78Å; L446-I450 HydrophobicContact CD1-CG1 4.2Å; L446-I450 HydrophobicContact CG-CD1 3.9Å; L446-I450 WeakPolarHBondContact O-CG1 3.49Å; L446-I450 PolarHBondContact O-N 2.92Å
447I98.6Very high94Very high14 Ų1442 Ų427%0.07222%0.223CC..Hα-helixtrans-58.4-46175.7-70.8165.1000110.5L311 L314 R315 L443 Q444 I449 I450 S451L311-I447 HydrophobicContact CD2-CG2 4.14Å; L311-I447 WeakPolarHBondContact CD2-O 3.17Å; L314-I447 HydrophobicContact CB-CD1 4.02Å; L314-I447 HydrophobicContact CB-CG1 3.68Å; L314-I447 HydrophobicContact CD1-CG1 4.14Å; R315-I447 HydrophobicContact CG-CD1 4.18Å; R315-I447 HydrophobicContact CG-CG2 4.46Å; L443-I447 HydrophobicContact CD1-CD1 4.44Å; L443-I447 HydrophobicContact CG-CD1 4.11Å; L443-I447 VanDerWaalsContact O-CG1 3.31Å; L443-I447 WeakPolarHBondContact O-CG1 3.49Å; L443-I447 PolarHBondContact O-N 2.86Å; Q444-I447 PolarHBondContact O-N 2.94Å; I447-I449 PolarHBondContact O-N 3.37Å; I447-I450 PolarHBondContact O-N 3.34Å; I447-S451 WeakPolarHBondContact O-CB 3.47Å; I447-S451 PolarHBondContact O-N 3.35Å; I447-S451 PolarHBondContact O-OG 2.78Å
448T98.4Very high92Very high72 Ų7243.2 Ų43.244%0.44223%0.226SC..Hα-helixtrans-59.6-48178.2-58.50000111.4Q444 N445 L446 S451 Q452Q444-T448 WeakPolarHBondContact O-CB 3.41Å; Q444-T448 PolarHBondContact O-N 3.44Å; Q444-T448 PolarHBondContact O-OG1 3.05Å; N445-T448 PolarHBondContact O-N 2.74Å; L446-T448 VanDerWaalsContact C-N 3.32Å; L446-T448 PolarHBondContact O-N 3.45Å; T448-S451 PolarHBondContact O-N 2.71Å; T448-Q452 WeakPolarHBondContact O-CG 3.45Å; T448-Q452 PolarHBondContact O-N 3.42Å
449I98.1Very high89.2Confident9 Ų952.2 Ų52.25%0.04627%0.272CS..Hα-helixtrans-64.7-43.7-178.5-66.7164.9000111.4I255 L285 F288 K289 L292 N445 L446 I447 S451 Q452 L453I255-I449 HydrophobicContact CD1-CD1 4.21Å; L285-I449 HydrophobicContact CD1-CD1 4.16Å; F288-I449 HydrophobicContact CD1-CD1 4.1Å; F288-I449 HydrophobicContact CE1-CD1 4.09Å; K289-I449 HydrophobicContact CB-CG2 4.5Å; K289-I449 HydrophobicContact CD-CG2 4.44Å; K289-I449 HydrophobicContact CG-CG2 3.83Å; L292-I449 HydrophobicContact CD1-CB 4.4Å; L292-I449 HydrophobicContact CD1-CG2 3.6Å; N445-I449 VanDerWaalsContact O-CG1 3.25Å; N445-I449 WeakPolarHBondContact O-CG1 3.47Å; N445-I449 PolarHBondContact O-N 3.38Å; L446-I449 PolarHBondContact O-N 2.71Å; I447-I449 PolarHBondContact O-N 3.37Å; I449-S451 VanDerWaalsContact C-N 3.34Å; I449-Q452 WeakPolarHBondContact O-CB 3.49Å; I449-Q452 PolarHBondContact O-N 2.68Å; I449-L453 PolarHBondContact O-N 3.26Å; I449-L453 VanDerWaalsContact O-N 3.16Å
450I97.9Very high88.9Confident0 Ų054.8 Ų54.80%029%0.286CS..Hα-helixtrans-69.1-34.3178.7-64.5174.1000110.9L292 F296 L307 V310 L311 L314 I336 L446 I447 Q452 L453 E454L292-I450 HydrophobicContact CD1-CG1 4.33Å; F296-I450 HydrophobicContact CE2-CD1 4.41Å; F296-I450 HydrophobicContact CE2-CG1 4.49Å; L307-I450 HydrophobicContact CD2-CG2 4.1Å; V310-I450 HydrophobicContact CG1-CD1 4.09Å; L311-I450 HydrophobicContact CD1-CG2 4.16Å; L311-I450 HydrophobicContact CD2-CB 3.82Å; L311-I450 HydrophobicContact CD2-CG2 3.69Å; L311-I450 HydrophobicContact CG-CB 4.41Å; L311-I450 HydrophobicContact CG-CG2 3.72Å; L314-I450 HydrophobicContact CD1-CD1 3.84Å; I336-I450 HydrophobicContact CD1-CD1 4.49Å; L446-I450 HydrophobicContact CD1-CD1 3.78Å; L446-I450 HydrophobicContact CD1-CG1 4.2Å; L446-I450 HydrophobicContact CG-CD1 3.9Å; L446-I450 WeakPolarHBondContact O-CG1 3.49Å; L446-I450 PolarHBondContact O-N 2.92Å; I447-I450 PolarHBondContact O-N 3.34Å; I450-Q452 VanDerWaalsContact C-N 3.34Å; I450-L453 WeakPolarHBondContact O-CB 3.17Å; I450-L453 PolarHBondContact O-N 3.27Å; I450-E454 PolarHBondContact O-N 3.29Å; I450-E454 VanDerWaalsContact O-N 3.08Å
451S97.4Very high88.4Confident17 Ų1757.2 Ų57.212%0.11930%0.298CS..Hα-helixtrans-64.7-39.9175-53.50000111.2L311 I447 T448 I449 L453 E454 E455L311-S451 WeakPolarHBondContact CD2-OG 3.36Å; I447-S451 WeakPolarHBondContact O-CB 3.47Å; I447-S451 PolarHBondContact O-N 3.35Å; I447-S451 PolarHBondContact O-OG 2.78Å; T448-S451 PolarHBondContact O-N 2.71Å; I449-S451 VanDerWaalsContact C-N 3.34Å; S451-L453 VanDerWaalsContact C-N 3.3Å; S451-L453 PolarHBondContact O-N 3.47Å; S451-E454 WeakPolarHBondContact O-CB 3.4Å; S451-E454 PolarHBondContact O-N 3.05Å; S451-E455 WeakPolarHBondContact O-CG 3.37Å; S451-E455 PolarHBondContact O-N 3.16Å
452Q95.8Very high87.9Confident61 Ų6155.8 Ų55.829%0.28530%0.295SS..Hα-helixtrans-60.9-38.8173-71.4171.8-3.500112.1T448 I449 I450 E454 E455 H456T448-Q452 WeakPolarHBondContact O-CG 3.45Å; T448-Q452 PolarHBondContact O-N 3.42Å; I449-Q452 WeakPolarHBondContact O-CB 3.49Å; I449-Q452 PolarHBondContact O-N 2.68Å; I450-Q452 VanDerWaalsContact C-N 3.34Å; Q452-E454 VanDerWaalsContact C-N 3.27Å; Q452-E454 PolarHBondContact O-N 2.93Å; Q452-E455 PolarHBondContact O-N 3.42Å; Q452-H456 WeakPolarHBondContact O-CB 3.24Å; Q452-H456 PolarHBondContact O-CD2 3.18Å; Q452-H456 PolarHBondContact O-N 2.92Å
453L93.3Very high87.3Confident25 Ų2559.1 Ų59.113%0.13131%0.312CS..Hα-helixtrans-66-29174.7-69.6174000112.8L292 Y293 I449 I450 S451L292-L453 HydrophobicContact CB-CD1 3.94Å; Y293-L453 HydrophobicContact CD2-CD2 4.22Å; I449-L453 PolarHBondContact O-N 3.26Å; I449-L453 VanDerWaalsContact O-N 3.16Å; I450-L453 WeakPolarHBondContact O-CB 3.17Å; I450-L453 PolarHBondContact O-N 3.27Å; S451-L453 VanDerWaalsContact C-N 3.3Å; S451-L453 PolarHBondContact O-N 3.47Å
454E92.7Very high86.6Confident55 Ų5562.8 Ų62.826%0.25733%0.332SS..Hα-helixtrans-72.8-42.1175.2-174.3174.7-12300111.4L307 S308 L311 I450 S451 Q452L307-E454 HydrophobicContact CB-CB 4.31Å; L307-E454 HydrophobicContact CB-CG 4.43Å; L307-E454 HydrophobicContact CD1-CB 4Å; S308-E454 WeakPolarHBondContact CA-OE1 3.04Å; S308-E454 VanDerWaalsContact CB-OE1 3.28Å; S308-E454 WeakPolarHBondContact CB-OE1 3.36Å; S308-E454 PolarHBondContact N-OE1 3.48Å; S308-E454 PolarHBondContact OG-OE1 3.35Å; L311-E454 HydrophobicContact CD1-CB 4.44Å; L311-E454 VanDerWaalsContact CD1-OE2 3.26Å; L311-E454 WeakPolarHBondContact CD1-OE2 3.44Å; I450-E454 PolarHBondContact O-N 3.29Å; I450-E454 VanDerWaalsContact O-N 3.08Å; S451-E454 WeakPolarHBondContact O-CB 3.4Å; S451-E454 PolarHBondContact O-N 3.05Å; Q452-E454 VanDerWaalsContact C-N 3.27Å; Q452-E454 PolarHBondContact O-N 2.93Å
455E88.8Confident85.8Confident125 Ų12561.6 Ų61.658%0.58433%0.328SS*.Hα-helixtrans-72.2-41.5-179-69.3169-173.300113.1S451 Q452 S457 T458S451-E455 WeakPolarHBondContact O-CG 3.37Å; S451-E455 PolarHBondContact O-N 3.16Å; Q452-E455 PolarHBondContact O-N 3.42Å; E455-S457 PolarHBondContact O-N 3.45Å; E455-T458 PolarHBondContact O-N 3.35Å; E455-T458 PolarHBondContact O-OG1 2.7Å
456H77.9Confident84.9Confident139 Ų13963.1 Ų63.164%0.64434%0.336SS*.THydrogen-bonded Turntrans-69.66.6-177.5-78.5-56.1000115.3Q452Q452-H456 WeakPolarHBondContact O-CB 3.24Å; Q452-H456 PolarHBondContact O-CD2 3.18Å; Q452-H456 PolarHBondContact O-N 2.92Å
457S60.9Low83.8Confident47 Ų4767.9 Ų67.933%0.32936%0.362SS..THydrogen-bonded Turntrans-126.66.4179.2-60.40000113.8H304 E455H304-S457 WeakPolarHBondContact CE1-CB 3.41Å; H304-S457 PolarHBondContact CE1-OG 3.32Å; H304-S457 WeakPolarHBondContact NE2-CB 3.27Å; H304-S457 PolarHBondContact NE2-OG 3.43Å; E455-S457 PolarHBondContact O-N 3.45Å
458T53Low82.6Confident119 Ų11972.4 Ų72.473%0.7339%0.386SS*.  trans-93.3-6.7165.847.50000113.1E455E455-T458 PolarHBondContact O-N 3.35Å; E455-T458 PolarHBondContact O-OG1 2.7Å
459D37.3Very low81.2Confident200 Ų20072.5 Ų72.5100%1.0738%0.381SS*.  trans-95.10165-70.7-22.8000109.6

Retrieved 459 of 459 residues in 859.1 ms (Link to these results)

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