A0A087XZU8_POEFO Loading...

Xylulose kinase

Phosphorylates D-xylulose to produce D-xylulose 5-phosphate, a molecule that may play an important role in the regulation of glucose metabolism and lipogenesis.

AlphaFold DB , UniProt , Accession A0A087XZU8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 529 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
1M44.9Very low51Low132 Ų13225.4 Ų25.465%0.6518%0.176SC*.  0117.70-170.7-175.8-68.200105.2D22 G23 R86M1-D22 CarbonylContact O-C 3.54Å; M1-D22 WeakPolarHBondContact O-CA 3.45Å; M1-G23 PolarHBondContact O-N 2.91Å; M1-G23 VanDerWaalsContact O-N 3.07Å; M1-R86 HydrophobicContact CG-CB 4.44Å; M1-R86 HydrophobicContact CG-CG 3.75Å
2N51.1Low50.1Low8 Ų840 Ų404%0.04323%0.234CC..EExtended strand (participates in β ladder)trans-97.4133.2-165.2-63.68.8000112.1I21 R84 V85 R86N2-I21 CarbonylContact C-O 3.5Å; N2-I21 WeakPolarHBondContact CA-O 3.35Å; N2-R84 HydrophobicContact CB-CB 4.34Å; N2-R84 PolarHBondContact N-O 3.42Å; N2-V85 WeakPolarHBondContact O-CA 3.48Å; N2-R86 PolarHBondContact O-N 3.45Å
3C56.2Low50.8Low0 Ų045.1 Ų45.10%025%0.254CS..EExtended strand (participates in β ladder)trans-115.3118.3169.5-86.60000109.2A20 I21 A87 A473 L474C3-A20 CarbonylContact O-C 3.36Å; C3-A20 WeakPolarHBondContact O-CA 3.35Å; C3-I21 HydrophobicContact CB-CD1 4.39Å; C3-I21 HydrophobicContact CB-CG1 3.86Å; C3-I21 PolarHBondContact N-O 3.4Å; C3-I21 PolarHBondContact O-N 2.89Å; C3-A87 WeakPolarHBondContact CA-O 3.23Å; C3-A473 HydrophobicContact CB-CB 4.5Å; C3-L474 HydrophobicContact CB-CD2 4.36Å; C3-L474 HydrophobicContact CB-CG 4.22Å; C3-L474 WeakPolarHBondContact SG-CD2 3.18Å; C3-L474 VanDerWaalsContact SG-CG 3.51Å
4L53.3Low52.8Low0 Ų042.1 Ų42.10%024%0.238CC..EExtended strand (participates in β ladder)trans-91.7145.5177.1179.562.6000108.7A18 A20 M75 F80 F82 V85 A87 L88 F264L4-A18 HydrophobicContact CD1-CB 4.23Å; L4-A20 HydrophobicContact CD1-CB 4.23Å; L4-M75 HydrophobicContact CD1-CE 3.29Å; L4-M75 HydrophobicContact CD1-SD 4.26Å; L4-M75 HydrophobicContact CD2-CE 3.98Å; L4-M75 HydrophobicContact CG-CE 4.29Å; L4-F80 HydrophobicContact CD1-CE1 4.39Å; L4-F80 HydrophobicContact CD1-CZ 4.21Å; L4-F80 HydrophobicContact CD2-CE1 4.27Å; L4-F82 HydrophobicContact CD2-CD1 4.29Å; L4-F82 HydrophobicContact CD2-CE1 4.03Å; L4-V85 HydrophobicContact CB-CG1 3.73Å; L4-V85 HydrophobicContact CB-CG2 3.88Å; L4-V85 HydrophobicContact CD2-CG2 4.49Å; L4-A87 PolarHBondContact N-O 2.75Å; L4-L88 HydrophobicContact CB-CD1 4.15Å; L4-L88 HydrophobicContact CD2-CD1 3.99Å; L4-L88 HydrophobicContact CG-CD1 4Å; L4-L88 VanDerWaalsContact O-CA 3.26Å; L4-L88 WeakPolarHBondContact O-CA 3.4Å; L4-L88 WeakPolarHBondContact O-CB 3.38Å; L4-L88 VanDerWaalsContact O-CG 3.28Å; L4-L88 WeakPolarHBondContact O-CG 3.4Å; L4-F264 HydrophobicContact CD2-CE1 3.91Å; L4-F264 HydrophobicContact CD2-CZ 3.67Å
5K59.9Low55.1Low1 Ų142.6 Ų42.60%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-130.4167.8171.387.5-136-167.8-1780112.6A18 V19 S89 C466 A470K5-A18 VanDerWaalsContact O-CA 3.3Å; K5-A18 WeakPolarHBondContact O-CA 3.18Å; K5-A18 WeakPolarHBondContact O-CB 3.38Å; K5-V19 HydrophobicContact CD-CB 3.77Å; K5-V19 HydrophobicContact CD-CG2 4.4Å; K5-V19 WeakPolarHBondContact CD-O 3.14Å; K5-V19 PolarHBondContact N-O 3.36Å; K5-S89 VanDerWaalsContact CA-O 3.24Å; K5-S89 WeakPolarHBondContact CA-O 3.41Å; K5-S89 WeakPolarHBondContact CB-O 3.4Å; K5-C466 HydrophobicContact CD-CB 4.41Å; K5-C466 WeakPolarHBondContact CD-O 3.31Å; K5-C466 WeakPolarHBondContact CE-O 3.36Å; K5-C466 WeakPolarHBondContact CE-SG 3.15Å; K5-C466 VanDerWaalsContact NZ-CA 3.29Å; K5-C466 PolarHBondContact NZ-O 2.98Å; K5-A470 HydrophobicContact CB-CB 4.38Å; K5-A470 HydrophobicContact CD-CB 3.81Å
6L54.2Low57.5Low8 Ų840.6 Ų40.64%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-130.9142.2163.5-70.6177.2000111.9L16 K17 A18 L68 L71 S89 G90 S91 F200 F273L6-L16 HydrophobicContact CB-CD1 4.46Å; L6-L16 HydrophobicContact CD2-CD1 4.43Å; L6-L16 HydrophobicContact CD2-CG 4.47Å; L6-K17 CarbonylContact C-O 3.52Å; L6-K17 WeakPolarHBondContact CA-O 3.33Å; L6-A18 HydrophobicContact CD2-CB 3.97Å; L6-L68 HydrophobicContact CD1-CD1 3.48Å; L6-L68 VanDerWaalsContact CD1-CD1 3.48Å; L6-L68 HydrophobicContact CD2-CD1 4.28Å; L6-L71 HydrophobicContact CD2-CD2 3.39Å; L6-L71 HydrophobicContact CD2-CG 4.5Å; L6-S89 PolarHBondContact N-O 2.93Å; L6-G90 CarbonylContact O-C 3.58Å; L6-G90 WeakPolarHBondContact O-CA 3.41Å; L6-S91 PolarHBondContact O-N 3.49Å; L6-F200 HydrophobicContact CD1-CD2 4.1Å; L6-F200 HydrophobicContact CD1-CE1 4.41Å; L6-F200 HydrophobicContact CD1-CE2 3Å; L6-F200 HydrophobicContact CD1-CZ 3.21Å; L6-F200 HydrophobicContact CG-CE2 4.23Å; L6-F200 HydrophobicContact CG-CZ 4.12Å; L6-F273 HydrophobicContact CB-CE2 4.4Å
7C57.5Low59.5Low2 Ų239.3 Ų39.31%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-135.9118.4179.5-1770000108.1L16 K17 S91 C466C7-L16 CarbonylContact O-C 3.54Å; C7-L16 WeakPolarHBondContact O-CA 3.39Å; C7-K17 PolarHBondContact N-O 3.29Å; C7-K17 PolarHBondContact O-N 2.83Å; C7-S91 WeakPolarHBondContact CA-O 3.24Å; C7-S91 PolarHBondContact SG-OG 2.9Å; C7-C466 HydrophobicContact CB-CB 4.37Å; C7-C466 WeakPolarHBondContact CB-SG 3.37Å
8V55.5Low61.3Low13 Ų1337.1 Ų37.18%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-88.1100.9158.5-178.70000105.6K15 L16 F35 S91 Q93 V192V8-K15 WeakPolarHBondContact CA-O 3.38Å; V8-L16 HydrophobicContact CG2-CD1 3.51Å; V8-F35 HydrophobicContact CG1-CE2 4.44Å; V8-F35 HydrophobicContact CG1-CZ 4.39Å; V8-S91 PolarHBondContact N-O 3.14Å; V8-Q93 HydrophobicContact CG1-CG 4.28Å; V8-Q93 PolarHBondContact O-N 3.13Å; V8-V192 HydrophobicContact CB-CG1 4.42Å; V8-V192 HydrophobicContact CG2-CG1 4.34Å
9S49.1Very low62.8Low24 Ų2435.2 Ų35.217%0.16819%0.194CC..EExtended strand (participates in β ladder)trans-99.1133.4-174.162.30000112.2K15S9-K15 PolarHBondContact N-O 3.14Å
10G36Very low64.2Low38 Ų3833.4 Ų33.439%0.39218%0.184SC..  trans-71.9128.8166.200000113
11G43.1Very low65.5Low53 Ų5331.8 Ų31.855%0.54618%0.175SC..SBendtrans-161.9-165.4172.800000109.4Q13G11-Q13 PolarHBondContact O-N 2.98Å
12K40.7Very low67.6Low201 Ų20127.3 Ų27.387%0.87415%0.154SC*.SBendtrans-57.9-21174-76.1-173.6178.7-179.90113.3
13Q58.9Low69.1Low106 Ų10629 Ų2950%0.49517%0.173SC..SBendtrans-138.9130.6171.3-74.4177.6-23.400108.8G11G11-Q13 PolarHBondContact O-N 2.98Å
14L78.5Confident70.5Confident4 Ų435.4 Ų35.42%0.02121%0.207CC..  trans-71140.4171.5-66.8172.4000110.6F35 G46 V48L14-F35 VanDerWaalsContact C-CD2 3.48Å; L14-F35 HydrophobicContact CB-CD2 3.53Å; L14-F35 HydrophobicContact CB-CE2 3.62Å; L14-F35 VanDerWaalsContact O-CD2 3.22Å; L14-F35 WeakPolarHBondContact O-CD2 3.15Å; L14-F35 WeakPolarHBondContact O-CG 3.44Å; L14-G46 WeakPolarHBondContact CB-O 3.26Å; L14-G46 WeakPolarHBondContact CG-O 3.42Å; L14-G46 PolarHBondContact N-O 2.91Å; L14-G46 VanDerWaalsContact N-O 3.11Å; L14-V48 HydrophobicContact CD1-CG1 3.55Å
15K87.8Confident72.1Confident49 Ų4935.9 Ų35.921%0.21321%0.21CC..EExtended strand (participates in β ladder)trans-148.8158.4179.466.2-173179.8-177.60110.7V8 S9 V33 F35V8-K15 WeakPolarHBondContact CA-O 3.38Å; S9-K15 PolarHBondContact N-O 3.14Å; K15-V33 WeakPolarHBondContact CA-O 3.35Å; K15-V33 WeakPolarHBondContact CB-O 3.3Å; K15-F35 VanDerWaalsContact C-CZ 3.48Å
16L92.6Very high73.3Confident11 Ų1137 Ų376%0.05822%0.221CC..EExtended strand (participates in β ladder)trans-100.6125.5166.3-176.970.5000108.7L6 C7 V8 S32 V33 F35 A67 L68 L71L6-L16 HydrophobicContact CB-CD1 4.46Å; L6-L16 HydrophobicContact CD2-CD1 4.43Å; L6-L16 HydrophobicContact CD2-CG 4.47Å; C7-L16 CarbonylContact O-C 3.54Å; C7-L16 WeakPolarHBondContact O-CA 3.39Å; V8-L16 HydrophobicContact CG2-CD1 3.51Å; L16-S32 CarbonylContact O-C 3.6Å; L16-S32 WeakPolarHBondContact O-CA 3.36Å; L16-S32 WeakPolarHBondContact O-CB 3.29Å; L16-V33 PolarHBondContact N-O 3.08Å; L16-V33 PolarHBondContact O-N 3.06Å; L16-F35 HydrophobicContact CB-CE1 3.85Å; L16-F35 HydrophobicContact CB-CZ 4.1Å; L16-A67 HydrophobicContact CB-CB 4.22Å; L16-A67 HydrophobicContact CD2-CB 4.07Å; L16-L68 HydrophobicContact CD2-CB 4.03Å; L16-L68 HydrophobicContact CD2-CD1 4.23Å; L16-L71 HydrophobicContact CB-CD2 4.49Å; L16-L71 HydrophobicContact CD2-CB 4.3Å; L16-L71 HydrophobicContact CD2-CD2 3.61Å; L16-L71 HydrophobicContact CG-CD2 3.63Å
17K91.9Very high74.8Confident18 Ų1840.2 Ų40.28%0.07824%0.243CC..EExtended strand (participates in β ladder)trans-121.9139.3-179.3-178.5167.9179159.10111.1L6 C7 D31 D463L6-K17 CarbonylContact C-O 3.52Å; L6-K17 WeakPolarHBondContact CA-O 3.33Å; C7-K17 PolarHBondContact N-O 3.29Å; C7-K17 PolarHBondContact O-N 2.83Å; K17-D31 CarbonylContact C-O 3.48Å; K17-D31 WeakPolarHBondContact CA-O 3.4Å; K17-D31 WeakPolarHBondContact CG-O 3.29Å; K17-D463 VanDerWaalsContact CD-OD1 3.3Å; K17-D463 WeakPolarHBondContact CD-OD1 3.33Å; K17-D463 WeakPolarHBondContact CE-OD1 3.01Å; K17-D463 IonicContact NZ-OD1 2.81Å; K17-D463 PolarHBondContact NZ-OD1 2.81Å; K17-D463 IonicContact NZ-OD2 3.58Å; K17-D463 PolarHBondContact NZ-OD2 3.01Å
18A91.7Very high76.4Confident0 Ų043.4 Ų43.40%026%0.262CS..EExtended strand (participates in β ladder)trans-112.8144.116700000110.4L4 K5 L6 Q30 D31 L71 M75L4-A18 HydrophobicContact CD1-CB 4.23Å; K5-A18 VanDerWaalsContact O-CA 3.3Å; K5-A18 WeakPolarHBondContact O-CA 3.18Å; K5-A18 WeakPolarHBondContact O-CB 3.38Å; L6-A18 HydrophobicContact CD2-CB 3.97Å; A18-Q30 WeakPolarHBondContact O-CA 3.47Å; A18-D31 PolarHBondContact N-O 3.2Å; A18-D31 PolarHBondContact O-N 2.97Å; A18-L71 HydrophobicContact CB-CD1 4.2Å; A18-L71 HydrophobicContact CB-CD2 3.91Å; A18-L71 HydrophobicContact CB-CG 4.22Å; A18-M75 HydrophobicContact CB-CE 4.44Å; A18-M75 HydrophobicContact CB-SD 3.77Å
19V90.5Very high78.1Confident0 Ų044.5 Ų44.50%027%0.266CS..EExtended strand (participates in β ladder)trans-138.2140.9161175.80000107.3K5 I21 P27 H29 Q30K5-V19 HydrophobicContact CD-CB 3.77Å; K5-V19 HydrophobicContact CD-CG2 4.4Å; K5-V19 WeakPolarHBondContact CD-O 3.14Å; K5-V19 PolarHBondContact N-O 3.36Å; V19-I21 HydrophobicContact CG1-CG2 4.41Å; V19-P27 HydrophobicContact CG1-CB 3.81Å; V19-H29 CarbonylContact C-O 3.53Å; V19-H29 WeakPolarHBondContact CA-O 3.18Å; V19-H29 WeakPolarHBondContact CG1-O 3.42Å; V19-Q30 HydrophobicContact CB-CG 4.23Å; V19-Q30 HydrophobicContact CG1-CG 3.95Å; V19-Q30 HydrophobicContact CG2-CB 4.33Å; V19-Q30 HydrophobicContact CG2-CG 3.8Å
20A91.6Very high80.1Confident0 Ų047.6 Ų47.60%028%0.278CS..EExtended strand (participates in β ladder)trans-104.1136.1165.200000109.3C3 L4 P27 V28 H29 F80C3-A20 CarbonylContact O-C 3.36Å; C3-A20 WeakPolarHBondContact O-CA 3.35Å; L4-A20 HydrophobicContact CD1-CB 4.23Å; A20-P27 CarbonylContact O-C 3.59Å; A20-P27 WeakPolarHBondContact O-CA 3.49Å; A20-V28 HydrophobicContact CB-CG2 3.91Å; A20-V28 WeakPolarHBondContact O-CG2 3.1Å; A20-V28 PolarHBondContact O-N 2.87Å; A20-H29 HydrophobicContact CB-CB 3.96Å; A20-H29 PolarHBondContact N-O 2.86Å; A20-H29 PolarHBondContact O-N 2.95Å; A20-F80 HydrophobicContact CB-CE2 3.5Å; A20-F80 VanDerWaalsContact CB-CE2 3.5Å; A20-F80 HydrophobicContact CB-CZ 3.61Å
21I90.4Very high82.8Confident0 Ų047.3 Ų47.30%027%0.267CS..EExtended strand (participates in β ladder)trans-107.4155.8167.967.7177.1000110N2 C3 V19 L25 G26 L467 A470 Y471 L474N2-I21 CarbonylContact C-O 3.5Å; N2-I21 WeakPolarHBondContact CA-O 3.35Å; C3-I21 HydrophobicContact CB-CD1 4.39Å; C3-I21 HydrophobicContact CB-CG1 3.86Å; C3-I21 PolarHBondContact N-O 3.4Å; C3-I21 PolarHBondContact O-N 2.89Å; V19-I21 HydrophobicContact CG1-CG2 4.41Å; I21-L25 HydrophobicContact CD1-CD2 4.39Å; I21-G26 CarbonylContact C-O 3.55Å; I21-G26 WeakPolarHBondContact CA-O 3.47Å; I21-G26 WeakPolarHBondContact CB-O 3.4Å; I21-L467 HydrophobicContact CG2-CD2 4.05Å; I21-A470 HydrophobicContact CD1-CB 3.53Å; I21-A470 HydrophobicContact CG1-CB 3.81Å; I21-A470 HydrophobicContact CG2-CB 4.01Å; I21-Y471 HydrophobicContact CD1-CD1 3.64Å; I21-Y471 HydrophobicContact CD1-CE1 3.82Å; I21-L474 HydrophobicContact CD1-CD1 3.68Å
22D88.6Confident85.1Confident38 Ų3846.4 Ų46.420%0.20325%0.253CS..  trans-95.3-164.8171.363.921.4000113.1M1 D24 L25 G26 V28M1-D22 CarbonylContact O-C 3.54Å; M1-D22 WeakPolarHBondContact O-CA 3.45Å; D22-D24 PolarHBondContact O-N 3.1Å; D22-D24 WeakPolarHBondContact OD1-CA 3.26Å; D22-D24 PolarHBondContact OD1-N 2.97Å; D22-L25 PolarHBondContact O-N 3.27Å; D22-L25 PolarHBondContact OD1-N 3Å; D22-G26 PolarHBondContact N-O 3.41Å; D22-G26 PolarHBondContact OD1-N 3.43Å; D22-V28 HydrophobicContact CB-CG1 3.62Å; D22-V28 VanDerWaalsContact OD2-CG1 3.26Å; D22-V28 WeakPolarHBondContact OD2-CG1 3.14Å
23G83.8Confident87.7Confident43 Ų4336.8 Ų36.844%0.44321%0.211SC..THydrogen-bonded Turntrans-77-14.7-178.300000113.1M1M1-G23 PolarHBondContact O-N 2.91Å; M1-G23 VanDerWaalsContact O-N 3.07Å
24D85.8Confident89.4Confident135 Ų13534.1 Ų34.172%0.72220%0.198SC*.THydrogen-bonded Turntrans-93.613.4175.4-57.8-46.8000110.7D22 G26D22-D24 PolarHBondContact O-N 3.1Å; D22-D24 WeakPolarHBondContact OD1-CA 3.26Å; D22-D24 PolarHBondContact OD1-N 2.97Å; D24-G26 PolarHBondContact O-N 3.39Å; D24-G26 VanDerWaalsContact O-N 3.11Å
25L87.1Confident90.2Very high10 Ų1034 Ų345%0.05220%0.197CC..SBendtrans64.711175.8-52.2175000114.2I21 D22 Y471 L474 L489 A492I21-L25 HydrophobicContact CD1-CD2 4.39Å; D22-L25 PolarHBondContact O-N 3.27Å; D22-L25 PolarHBondContact OD1-N 3Å; L25-Y471 HydrophobicContact CB-CE1 3.97Å; L25-Y471 HydrophobicContact CD2-CD1 4.29Å; L25-Y471 HydrophobicContact CD2-CE1 4.24Å; L25-L474 HydrophobicContact CD2-CD1 3.45Å; L25-L474 VanDerWaalsContact CD2-CD1 3.45Å; L25-L489 HydrophobicContact CD1-CD2 3.79Å; L25-L489 HydrophobicContact CD2-CD2 3.97Å; L25-A492 HydrophobicContact CD1-CB 3.96Å
26G83.8Confident90.5Very high24 Ų2433.3 Ų33.325%0.24720%0.196CC..  trans-90.5146.2178.200000112.5I21 D22 D24 V28I21-G26 CarbonylContact C-O 3.55Å; I21-G26 WeakPolarHBondContact CA-O 3.47Å; I21-G26 WeakPolarHBondContact CB-O 3.4Å; D22-G26 PolarHBondContact N-O 3.41Å; D22-G26 PolarHBondContact OD1-N 3.43Å; D24-G26 PolarHBondContact O-N 3.39Å; D24-G26 VanDerWaalsContact O-N 3.11Å; G26-V28 PolarHBondContact O-N 2.79Å
27P86.7Confident90.6Very high76 Ų7636.9 Ų36.949%0.49422%0.222SC..EExtended strand (participates in β ladder)trans-69.2127.1175.829.3-33.5000111.1V19 A20V19-P27 HydrophobicContact CG1-CB 3.81Å; A20-P27 CarbonylContact O-C 3.59Å; A20-P27 WeakPolarHBondContact O-CA 3.49Å
28V90.3Very high90.9Very high68 Ų6839.1 Ų39.141%0.41223%0.233SC..EExtended strand (participates in β ladder)trans-110.3-13.4177.6-64.60000114A20 D22 G26A20-V28 HydrophobicContact CB-CG2 3.91Å; A20-V28 WeakPolarHBondContact O-CG2 3.1Å; A20-V28 PolarHBondContact O-N 2.87Å; D22-V28 HydrophobicContact CB-CG1 3.62Å; D22-V28 VanDerWaalsContact OD2-CG1 3.26Å; D22-V28 WeakPolarHBondContact OD2-CG1 3.14Å; G26-V28 PolarHBondContact O-N 2.79Å
29H90.5Very high91.1Very high36 Ų3639.1 Ų39.117%0.16723%0.233CC..EExtended strand (participates in β ladder)trans-154142.4176.5-168.585.2000109.7V19 A20 D31 F80V19-H29 CarbonylContact C-O 3.53Å; V19-H29 WeakPolarHBondContact CA-O 3.18Å; V19-H29 WeakPolarHBondContact CG1-O 3.42Å; A20-H29 HydrophobicContact CB-CB 3.96Å; A20-H29 PolarHBondContact N-O 2.86Å; A20-H29 PolarHBondContact O-N 2.95Å; H29-D31 IonicContact CD2-OD2 3.54Å; H29-D31 IonicContact CE1-OD2 3.35Å; H29-D31 PolarHBondContact CE1-OD2 3.34Å; H29-D31 IonicContact NE2-OD2 2.77Å; H29-D31 PolarHBondContact NE2-OD2 3.36Å; H29-F80 HydrophobicContact CB-CD2 3.73Å; H29-F80 HydrophobicContact CB-CE2 3.68Å; H29-F80 AromaticContact CG-CD2 3.54Å; H29-F80 AromaticContact CG-CE2 3.98Å; H29-F80 AromaticContact ND1-CD2 3.76Å
30Q91.3Very high91.5Very high90 Ų9042.9 Ų42.942%0.42126%0.257SS..EExtended strand (participates in β ladder)trans-141.4137.7170.3-55.9-161.45.500110.1A18 V19A18-Q30 WeakPolarHBondContact O-CA 3.47Å; V19-Q30 HydrophobicContact CB-CG 4.23Å; V19-Q30 HydrophobicContact CG1-CG 3.95Å; V19-Q30 HydrophobicContact CG2-CB 4.33Å; V19-Q30 HydrophobicContact CG2-CG 3.8Å
31D92.6Very high91.8Very high31 Ų3147.3 Ų47.317%0.16628%0.278CS..EExtended strand (participates in β ladder)trans-146.7158.1172.5-96.1-51000109.9K17 A18 H29 L71 R74 M75K17-D31 CarbonylContact C-O 3.48Å; K17-D31 WeakPolarHBondContact CA-O 3.4Å; K17-D31 WeakPolarHBondContact CG-O 3.29Å; A18-D31 PolarHBondContact N-O 3.2Å; A18-D31 PolarHBondContact O-N 2.97Å; H29-D31 IonicContact CD2-OD2 3.54Å; H29-D31 IonicContact CE1-OD2 3.35Å; H29-D31 PolarHBondContact CE1-OD2 3.34Å; H29-D31 IonicContact NE2-OD2 2.77Å; H29-D31 PolarHBondContact NE2-OD2 3.36Å; D31-L71 HydrophobicContact CB-CD1 3.53Å; D31-R74 WeakPolarHBondContact OD1-CD 3.47Å; D31-M75 HydrophobicContact CB-CG 4.13Å; D31-M75 WeakPolarHBondContact OD2-CG 3.49Å
32S93.2Very high92.1Very high34 Ų3449.4 Ų49.424%0.23829%0.287CS..EExtended strand (participates in β ladder)trans-153.2149.5174.362.20000113L16 R74L16-S32 CarbonylContact O-C 3.6Å; L16-S32 WeakPolarHBondContact O-CA 3.36Å; L16-S32 WeakPolarHBondContact O-CB 3.29Å; S32-R74 PolarHBondContact O-NH1 3.02Å
33V95.1Very high92.5Very high0 Ų057.4 Ų57.40%032%0.315CS..EExtended strand (participates in β ladder)trans-113.3118.6171.5177.70000109.1K15 L16 E38 L39 A67 L70 L71K15-V33 WeakPolarHBondContact CA-O 3.35Å; K15-V33 WeakPolarHBondContact CB-O 3.3Å; L16-V33 PolarHBondContact N-O 3.08Å; L16-V33 PolarHBondContact O-N 3.06Å; V33-E38 WeakPolarHBondContact CA-OE1 3.28Å; V33-E38 HydrophobicContact CG1-CB 4.1Å; V33-L39 HydrophobicContact CG1-CD1 4.35Å; V33-A67 HydrophobicContact CB-CB 4.43Å; V33-A67 HydrophobicContact CG1-CB 4.12Å; V33-L70 HydrophobicContact CG1-CD1 4.21Å; V33-L70 HydrophobicContact CG2-CB 3.96Å; V33-L71 HydrophobicContact CG2-CB 3.84Å; V33-L71 HydrophobicContact CG2-CD1 4.32Å
34Q94.4Very high93.1Very high49 Ų4955.7 Ų55.723%0.22930%0.295CS..EExtended strand (participates in β ladder)trans-85.7120.3176.1-62.7-70.3-1.300109.8S37 E38Q34-S37 VanDerWaalsContact CB-OG 3.25Å; Q34-S37 WeakPolarHBondContact CB-OG 3.44Å; Q34-E38 HydrophobicContact CB-CG 4.36Å; Q34-E38 PolarHBondContact N-OE1 3.33Å; Q34-E38 VanDerWaalsContact O-CB 3.23Å; Q34-E38 WeakPolarHBondContact O-CB 3.4Å; Q34-E38 WeakPolarHBondContact O-CG 3.25Å; Q34-E38 PolarHBondContact O-N 3.48Å
35F94.4Very high93.5Very high1 Ų156.5 Ų56.50%0.00430%0.295CS..Hα-helixtrans-63.5-51.8-168.9-60.9-26.1000113V8 L14 K15 L16 S37 L39 M63 W64 A67V8-F35 HydrophobicContact CG1-CE2 4.44Å; V8-F35 HydrophobicContact CG1-CZ 4.39Å; L14-F35 VanDerWaalsContact C-CD2 3.48Å; L14-F35 HydrophobicContact CB-CD2 3.53Å; L14-F35 HydrophobicContact CB-CE2 3.62Å; L14-F35 VanDerWaalsContact O-CD2 3.22Å; L14-F35 WeakPolarHBondContact O-CD2 3.15Å; L14-F35 WeakPolarHBondContact O-CG 3.44Å; K15-F35 VanDerWaalsContact C-CZ 3.48Å; L16-F35 HydrophobicContact CB-CE1 3.85Å; L16-F35 HydrophobicContact CB-CZ 4.1Å; F35-S37 PolarHBondContact O-N 2.93Å; F35-L39 HydrophobicContact CD1-CD1 4.15Å; F35-L39 CarbonylContact O-C 3.6Å; F35-L39 WeakPolarHBondContact O-CA 3.41Å; F35-L39 VanDerWaalsContact O-CB 3.29Å; F35-L39 WeakPolarHBondContact O-CB 3.29Å; F35-L39 PolarHBondContact O-N 3.33Å; F35-M63 HydrophobicContact CB-CE 4.01Å; F35-M63 HydrophobicContact CB-SD 3.82Å; F35-M63 HydrophobicContact CD1-CE 4.49Å; F35-M63 HydrophobicContact CD2-CE 3.55Å; F35-M63 HydrophobicContact CD2-SD 4.47Å; F35-M63 HydrophobicContact CE2-CE 4.12Å; F35-M63 HydrophobicContact CG-CE 3.78Å; F35-M63 HydrophobicContact CG-SD 4.14Å; F35-W64 AromaticContact CE2-CD1 3.86Å; F35-W64 AromaticContact CE2-NE1 3.92Å; F35-W64 AromaticContact CZ-CD1 3.77Å; F35-A67 HydrophobicContact CD1-CB 4.08Å; F35-A67 HydrophobicContact CE1-CB 3.59Å
36D93.5Very high93.6Very high35 Ų3557 Ų5719%0.18730%0.303CS..Hα-helixtrans-65.5-39.8-174.2-61.7-17.6000113.3T44 G46 G47D36-T44 VanDerWaalsContact OD1-C 3.24Å; D36-T44 WeakPolarHBondContact OD1-CB 3.49Å; D36-T44 PolarHBondContact OD1-OG1 3.11Å; D36-G46 WeakPolarHBondContact OD2-CA 3.21Å; D36-G46 PolarHBondContact OD2-N 2.78Å; D36-G47 WeakPolarHBondContact OD1-CA 3.37Å; D36-G47 PolarHBondContact OD1-N 3.11Å
37S95.8Very high94Very high86 Ų8655.9 Ų55.960%0.60129%0.291SS*.Hα-helixtrans-84.1-29.7-17554.70000113.4Q34 F35Q34-S37 VanDerWaalsContact CB-OG 3.25Å; Q34-S37 WeakPolarHBondContact CB-OG 3.44Å; F35-S37 PolarHBondContact O-N 2.93Å
38E97.2Very high94.4Very high65 Ų6552.6 Ų52.630%0.30427%0.27SS..Hα-helixtrans-107.7-13.4-172.7-53.5-174.5-118.500113.3V33 Q34 R74V33-E38 WeakPolarHBondContact CA-OE1 3.28Å; V33-E38 HydrophobicContact CG1-CB 4.1Å; Q34-E38 HydrophobicContact CB-CG 4.36Å; Q34-E38 PolarHBondContact N-OE1 3.33Å; Q34-E38 VanDerWaalsContact O-CB 3.23Å; Q34-E38 WeakPolarHBondContact O-CB 3.4Å; Q34-E38 WeakPolarHBondContact O-CG 3.25Å; Q34-E38 PolarHBondContact O-N 3.48Å; E38-R74 IonicContact OE2-CZ 2.68Å; E38-R74 IonicContact OE2-NH1 3.76Å; E38-R74 IonicContact OE2-NH2 3.46Å; E38-R74 PolarHBondContact OE2-NH2 3.38Å
39L97.6Very high94.7Very high0 Ų051.8 Ų51.80%026%0.261CS..  trans-129.847.4175.4-58168.4000111.2V33 F35 E41 F42 M63 K66 A67 L70V33-L39 HydrophobicContact CG1-CD1 4.35Å; F35-L39 HydrophobicContact CD1-CD1 4.15Å; F35-L39 CarbonylContact O-C 3.6Å; F35-L39 WeakPolarHBondContact O-CA 3.41Å; F35-L39 VanDerWaalsContact O-CB 3.29Å; F35-L39 WeakPolarHBondContact O-CB 3.29Å; F35-L39 PolarHBondContact O-N 3.33Å; L39-E41 WeakPolarHBondContact CA-OE2 3.49Å; L39-E41 PolarHBondContact O-N 3.07Å; L39-F42 HydrophobicContact CB-CD2 3.89Å; L39-F42 HydrophobicContact CB-CE2 4.33Å; L39-F42 HydrophobicContact CD2-CE2 4.49Å; L39-F42 PolarHBondContact O-N 2.88Å; L39-F42 VanDerWaalsContact O-N 3.13Å; L39-M63 HydrophobicContact CB-CG 4.29Å; L39-M63 HydrophobicContact CD1-CG 3.67Å; L39-K66 HydrophobicContact CD2-CB 4.29Å; L39-K66 HydrophobicContact CD2-CD 3.8Å; L39-K66 HydrophobicContact CD2-CG 3.8Å; L39-A67 HydrophobicContact CD1-CB 3.78Å; L39-L70 HydrophobicContact CD2-CD1 3.52Å; L39-L70 HydrophobicContact CG-CD1 4.24Å
40P97.8Very high94.9Very high79 Ų7955.8 Ų55.851%0.51328%0.283SS..G310 helixtrans-62.6-19.6-171.828.8-37.6000113.7F42 R43P40-F42 PolarHBondContact O-N 2.95Å; P40-R43 PolarHBondContact O-N 3.08Å
41E97.9Very high95.1Very high93 Ų9354.1 Ų54.144%0.43528%0.275SS..G310 helixtrans-61.1-23.9176.267.1-84.8-16100113.6L39 R43 K66L39-E41 WeakPolarHBondContact CA-OE2 3.49Å; L39-E41 PolarHBondContact O-N 3.07Å; E41-R43 VanDerWaalsContact C-N 3.28Å; E41-K66 WeakPolarHBondContact OE1-CE 3.49Å; E41-K66 IonicContact OE1-NZ 3.45Å; E41-K66 PolarHBondContact OE1-NZ 2.91Å
42F97.1Very high95.4Very high45 Ų4559.3 Ų59.320%0.19731%0.31CS..G310 helixtrans-80.9-8.2174-67.6-85000113L39 P40 T44 H49 P60 L62 M63 K66L39-F42 HydrophobicContact CB-CD2 3.89Å; L39-F42 HydrophobicContact CB-CE2 4.33Å; L39-F42 HydrophobicContact CD2-CE2 4.49Å; L39-F42 PolarHBondContact O-N 2.88Å; L39-F42 VanDerWaalsContact O-N 3.13Å; P40-F42 PolarHBondContact O-N 2.95Å; F42-T44 HydrophobicContact CB-CG2 4.37Å; F42-T44 PolarHBondContact O-N 3.44Å; F42-T44 VanDerWaalsContact O-N 3.16Å; F42-H49 PolarHBondContact O-CE1 2.92Å; F42-H49 PolarHBondContact O-NE2 3.13Å; F42-P60 HydrophobicContact CB-CG 4.37Å; F42-P60 HydrophobicContact CD1-CB 3.69Å; F42-P60 HydrophobicContact CD1-CG 3.96Å; F42-P60 HydrophobicContact CE1-CB 4.16Å; F42-L62 HydrophobicContact CE1-CB 4.13Å; F42-L62 HydrophobicContact CZ-CB 4.34Å; F42-M63 HydrophobicContact CB-CB 4.45Å; F42-M63 HydrophobicContact CB-CG 4.27Å; F42-M63 HydrophobicContact CB-SD 4.03Å; F42-M63 HydrophobicContact CD1-CB 3.82Å; F42-M63 HydrophobicContact CD1-CG 4.45Å; F42-M63 HydrophobicContact CD2-CB 3.9Å; F42-M63 HydrophobicContact CD2-CG 3.75Å; F42-M63 HydrophobicContact CE1-CB 3.94Å; F42-M63 HydrophobicContact CE2-CB 4.01Å; F42-M63 HydrophobicContact CE2-CG 4.14Å; F42-M63 HydrophobicContact CG-CB 3.79Å; F42-M63 HydrophobicContact CG-CG 3.9Å; F42-M63 HydrophobicContact CG-SD 4.31Å; F42-M63 HydrophobicContact CZ-CB 4.02Å; F42-K66 HydrophobicContact CE2-CD 4.13Å
43R97.2Very high95.5Very high205 Ų20561.8 Ų61.877%0.77432%0.321SS*.  trans54.933.6173.8-53.3179.1-176.1177.90.1114P40 E41P40-R43 PolarHBondContact O-N 3.08Å; E41-R43 VanDerWaalsContact C-N 3.28Å
44T96.2Very high95.3Very high7 Ų764.3 Ų64.34%0.04335%0.347CS..  trans-77156175.153.80000111.7D36 F42 V48 M63D36-T44 VanDerWaalsContact OD1-C 3.24Å; D36-T44 WeakPolarHBondContact OD1-CB 3.49Å; D36-T44 PolarHBondContact OD1-OG1 3.11Å; F42-T44 HydrophobicContact CB-CG2 4.37Å; F42-T44 PolarHBondContact O-N 3.44Å; F42-T44 VanDerWaalsContact O-N 3.16Å; T44-V48 WeakPolarHBondContact CA-O 3.46Å; T44-M63 HydrophobicContact CG2-CE 4.18Å; T44-M63 HydrophobicContact CG2-SD 3.64Å
45H93.4Very high95.2Very high152 Ų15266 Ų6670%0.70436%0.357SS*.BIsolated β-bridgetrans-128.1118.9169.5-63.721.6000107.1G47 V48H45-G47 PolarHBondContact O-N 3.12Å; H45-V48 PolarHBondContact N-O 2.98Å; H45-V48 WeakPolarHBondContact O-CG2 3.2Å; H45-V48 PolarHBondContact O-N 3.28Å
46G89.5Confident95.3Very high22 Ų2266.3 Ų66.323%0.22736%0.359CS..THydrogen-bonded Turntrans67.617-165.500000113.6L14 D36 V48L14-G46 WeakPolarHBondContact CB-O 3.26Å; L14-G46 WeakPolarHBondContact CG-O 3.42Å; L14-G46 PolarHBondContact N-O 2.91Å; L14-G46 VanDerWaalsContact N-O 3.11Å; D36-G46 WeakPolarHBondContact OD2-CA 3.21Å; D36-G46 PolarHBondContact OD2-N 2.78Å; G46-V48 VanDerWaalsContact C-N 3.34Å
47G91.9Very high95.4Very high0 Ų065.1 Ų65.10%035%0.353CS..THydrogen-bonded Turntrans7713.6-173.400000115.2D36 H45 S59 M63D36-G47 WeakPolarHBondContact OD1-CA 3.37Å; D36-G47 PolarHBondContact OD1-N 3.11Å; H45-G47 PolarHBondContact O-N 3.12Å; G47-S59 PolarHBondContact O-OG 3.45Å; G47-M63 WeakPolarHBondContact O-CE 3.43Å
48V94.8Very high95.5Very high7 Ų761.2 Ų61.24%0.04233%0.325CS..BIsolated β-bridgetrans-131.6167.8176.8-60.20000113L14 T44 H45 G46 I50 V57 T58 V132 M134L14-V48 HydrophobicContact CD1-CG1 3.55Å; T44-V48 WeakPolarHBondContact CA-O 3.46Å; H45-V48 PolarHBondContact N-O 2.98Å; H45-V48 WeakPolarHBondContact O-CG2 3.2Å; H45-V48 PolarHBondContact O-N 3.28Å; G46-V48 VanDerWaalsContact C-N 3.34Å; V48-I50 HydrophobicContact CG2-CG1 4.37Å; V48-V57 HydrophobicContact CB-CG1 3.79Å; V48-V57 HydrophobicContact CG1-CG1 4.17Å; V48-V57 HydrophobicContact CG2-CG1 3.82Å; V48-T58 CarbonylContact C-O 3.6Å; V48-T58 VanDerWaalsContact CA-O 3.27Å; V48-T58 WeakPolarHBondContact CA-O 3.43Å; V48-T58 WeakPolarHBondContact CB-O 3.41Å; V48-V132 HydrophobicContact CG1-CG2 3.99Å; V48-M134 HydrophobicContact CB-CE 3.92Å; V48-M134 HydrophobicContact CG1-CE 3.21Å; V48-M134 HydrophobicContact CG2-CE 3.52Å
49H97.2Very high95.5Very high50 Ų5058.1 Ų58.123%0.23131%0.311CS..EExtended strand (participates in β ladder)trans-108123161.4-56.7143.5000109F42 V57 T58 P60 D129F42-H49 PolarHBondContact O-CE1 2.92Å; F42-H49 PolarHBondContact O-NE2 3.13Å; H49-V57 WeakPolarHBondContact O-CA 3.48Å; H49-T58 PolarHBondContact N-O 2.99Å; H49-T58 PolarHBondContact O-N 3.41Å; H49-P60 VanDerWaalsContact CE1-CG 3.46Å; H49-P60 WeakPolarHBondContact CE1-CG 3.38Å; H49-D129 IonicContact ND1-OD1 3.26Å
50I94.9Very high95.5Very high121 Ų12158.7 Ų58.762%0.62132%0.315SS*.EExtended strand (participates in β ladder)trans-92.3121.1166.1-58173.4000106.4V48 V57V48-I50 HydrophobicContact CG2-CG1 4.37Å; I50-V57 HydrophobicContact CG1-CG1 4.34Å; I50-V57 HydrophobicContact CG1-CG2 4.4Å
51H96.6Very high95.5Very high54 Ų5454.9 Ų54.925%0.2529%0.29CS..  trans-79.5167.7-175.2-73-112.7000111.7D53 G54 T56 T58H51-D53 PolarHBondContact O-N 3.04Å; H51-D53 VanDerWaalsContact O-N 3.09Å; H51-G54 PolarHBondContact O-N 3.49Å; H51-T56 HydrophobicContact CB-CG2 4.28Å; H51-T56 WeakPolarHBondContact CB-O 3.47Å; H51-T56 PolarHBondContact CD2-O 3.33Å; H51-T56 VanDerWaalsContact CD2-O 3.32Å; H51-T56 PolarHBondContact N-O 2.91Å; H51-T58 PolarHBondContact NE2-OG1 2.91Å
52P97.6Very high95.5Very high141 Ų14151.7 Ų51.792%0.91628%0.276SS*.THydrogen-bonded Turntrans-59.9-20.7-177-26.936.2000115.7G54P52-G54 PolarHBondContact O-N 3.24Å
53D94.6Very high95.6Very high86 Ų8649.6 Ų49.646%0.4627%0.266SS..THydrogen-bonded Turntrans-74.6-11.6176.566.51.7000113.3H51 L55 T56H51-D53 PolarHBondContact O-N 3.04Å; H51-D53 VanDerWaalsContact O-N 3.09Å; D53-L55 PolarHBondContact O-N 3.45Å; D53-L55 PolarHBondContact OD1-N 3.3Å; D53-T56 WeakPolarHBondContact OD1-CB 3.37Å; D53-T56 PolarHBondContact OD1-N 2.68Å; D53-T56 WeakPolarHBondContact OD2-CB 3.28Å; D53-T56 PolarHBondContact OD2-N 3.46Å; D53-T56 PolarHBondContact OD2-OG1 3.39Å
54G91.6Very high95.6Very high53 Ų5340.3 Ų40.355%0.54623%0.231SC..SBendtrans69.76.4-177.600000114.8H51 P52H51-G54 PolarHBondContact O-N 3.49Å; P52-G54 PolarHBondContact O-N 3.24Å
55L91.8Very high95.7Very high83 Ų8340 Ų4044%0.43523%0.229SC..SBendtrans-123.4-38.1-176.1-62.1174.8000112.3D53 S136D53-L55 PolarHBondContact O-N 3.45Å; D53-L55 PolarHBondContact OD1-N 3.3Å; L55-S136 WeakPolarHBondContact CD2-OG 3.23Å; L55-S136 PolarHBondContact O-N 2.99Å
56T96.9Very high96Very high9 Ų935.3 Ų35.36%0.05521%0.207CC..  trans-77.2125.2179.3-60.80000108.8H51 D53 T58 D135 S137 K174H51-T56 HydrophobicContact CB-CG2 4.28Å; H51-T56 WeakPolarHBondContact CB-O 3.47Å; H51-T56 PolarHBondContact CD2-O 3.33Å; H51-T56 VanDerWaalsContact CD2-O 3.32Å; H51-T56 PolarHBondContact N-O 2.91Å; D53-T56 WeakPolarHBondContact OD1-CB 3.37Å; D53-T56 PolarHBondContact OD1-N 2.68Å; D53-T56 WeakPolarHBondContact OD2-CB 3.28Å; D53-T56 PolarHBondContact OD2-N 3.46Å; D53-T56 PolarHBondContact OD2-OG1 3.39Å; T56-T58 HydrophobicContact CG2-CG2 4.22Å; T56-D135 VanDerWaalsContact CA-OD2 3.26Å; T56-D135 WeakPolarHBondContact CA-OD2 3.36Å; T56-S137 WeakPolarHBondContact OG1-CB 3.31Å; T56-S137 PolarHBondContact OG1-OG 3.14Å; T56-K174 PolarHBondContact OG1-NZ 3.29Å
57V95.4Very high96.4Very high10 Ų1034.2 Ų34.26%0.06120%0.196CC..EExtended strand (participates in β ladder)trans-133.7123-178.7-1690000110.1V48 H49 I50 V132 M134 D135V48-V57 HydrophobicContact CB-CG1 3.79Å; V48-V57 HydrophobicContact CG1-CG1 4.17Å; V48-V57 HydrophobicContact CG2-CG1 3.82Å; H49-V57 WeakPolarHBondContact O-CA 3.48Å; I50-V57 HydrophobicContact CG1-CG1 4.34Å; I50-V57 HydrophobicContact CG1-CG2 4.4Å; V57-V132 HydrophobicContact CB-CG2 4.2Å; V57-V132 HydrophobicContact CG1-CG2 3.8Å; V57-V132 WeakPolarHBondContact O-CG2 3.36Å; V57-V132 PolarHBondContact O-N 3.18Å; V57-M134 HydrophobicContact CB-CB 4.05Å; V57-M134 HydrophobicContact CG1-CB 3.88Å; V57-M134 HydrophobicContact CG1-CE 4.03Å; V57-M134 HydrophobicContact CG2-CB 4.19Å; V57-D135 HydrophobicContact CB-CB 4.43Å; V57-D135 PolarHBondContact N-OD2 3.35Å
58T97.8Very high96.6Very high3 Ų334.5 Ų34.52%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-133.3163.3-174.260.20000113.1V48 H49 H51 T56 D129 S130V48-T58 CarbonylContact C-O 3.6Å; V48-T58 VanDerWaalsContact CA-O 3.27Å; V48-T58 WeakPolarHBondContact CA-O 3.43Å; V48-T58 WeakPolarHBondContact CB-O 3.41Å; H49-T58 PolarHBondContact N-O 2.99Å; H49-T58 PolarHBondContact O-N 3.41Å; H51-T58 PolarHBondContact NE2-OG1 2.91Å; T56-T58 HydrophobicContact CG2-CG2 4.22Å; T58-D129 HydrophobicContact CG2-CB 4.17Å; T58-S130 CarbonylContact C-O 3.6Å; T58-S130 WeakPolarHBondContact CA-O 3.35Å; T58-S130 VanDerWaalsContact CB-O 3.26Å; T58-S130 WeakPolarHBondContact CB-O 3.33Å
59S97.2Very high96.8Very high0 Ų034.3 Ų34.30%020%0.196CC..EExtended strand (participates in β ladder)trans-129141.7165.3-68.40000110.1G47 V61 S130G47-S59 PolarHBondContact O-OG 3.45Å; S59-V61 PolarHBondContact O-N 3.48Å; S59-S130 PolarHBondContact N-O 3.2Å; S59-S130 PolarHBondContact O-N 3.08Å
60P98.3Very high96.9Very high12 Ų1234.7 Ų34.78%0.07820%0.2CC..EExtended strand (participates in β ladder)trans-65.6126.4174.3-22.634.6000111.4F42 H49 L62 M63 Q128F42-P60 HydrophobicContact CB-CG 4.37Å; F42-P60 HydrophobicContact CD1-CB 3.69Å; F42-P60 HydrophobicContact CD1-CG 3.96Å; F42-P60 HydrophobicContact CE1-CB 4.16Å; H49-P60 VanDerWaalsContact CE1-CG 3.46Å; H49-P60 WeakPolarHBondContact CE1-CG 3.38Å; P60-L62 VanDerWaalsContact C-N 3.31Å; P60-L62 PolarHBondContact O-N 3.02Å; P60-M63 HydrophobicContact CB-CB 4.15Å; P60-M63 WeakPolarHBondContact O-CB 3.3Å; P60-M63 PolarHBondContact O-N 3.13Å; P60-M63 VanDerWaalsContact O-N 3.09Å; P60-Q128 WeakPolarHBondContact CA-O 3.19Å
61V97.9Very high97Very high0 Ų029 Ų290%017%0.17CC..Hα-helixtrans-62.1-40.5-177.9-176.60000111.6S59 M63 W64 V65 V98 F125 Q128 S130 F195S59-V61 PolarHBondContact O-N 3.48Å; V61-M63 PolarHBondContact O-N 2.88Å; V61-W64 HydrophobicContact CG1-CE3 4.31Å; V61-W64 HydrophobicContact CG2-CZ3 4.34Å; V61-W64 WeakPolarHBondContact O-CB 3.39Å; V61-W64 PolarHBondContact O-N 3.15Å; V61-V65 PolarHBondContact O-N 2.97Å; V61-V98 HydrophobicContact CG1-CG1 3.87Å; V61-V98 HydrophobicContact CG1-CG2 4.12Å; V61-V98 HydrophobicContact CG2-CG1 4.34Å; V61-V98 HydrophobicContact CG2-CG2 4.23Å; V61-F125 HydrophobicContact CB-CD1 4.37Å; V61-F125 HydrophobicContact CB-CD2 4.19Å; V61-F125 HydrophobicContact CB-CE2 4.38Å; V61-F125 HydrophobicContact CB-CG 4.19Å; V61-F125 HydrophobicContact CG1-CD1 3.71Å; V61-F125 HydrophobicContact CG1-CD2 4Å; V61-F125 HydrophobicContact CG1-CE1 3.49Å; V61-F125 VanDerWaalsContact CG1-CE1 3.49Å; V61-F125 HydrophobicContact CG1-CE2 3.79Å; V61-F125 HydrophobicContact CG1-CG 3.96Å; V61-F125 HydrophobicContact CG1-CZ 3.54Å; V61-Q128 PolarHBondContact N-O 3.26Å; V61-S130 WeakPolarHBondContact CG2-OG 3.49Å; V61-F195 HydrophobicContact CG1-CE1 4.46Å; V61-F195 HydrophobicContact CG1-CE2 3.87Å; V61-F195 HydrophobicContact CG1-CZ 3.73Å
62L98.2Very high97Very high26 Ų2626.4 Ų26.414%0.13616%0.158CC..Hα-helixtrans-63.7-23.4178.2-76173.1000113.4F42 P60 W64 V65 K66 T122 F125F42-L62 HydrophobicContact CE1-CB 4.13Å; F42-L62 HydrophobicContact CZ-CB 4.34Å; P60-L62 VanDerWaalsContact C-N 3.31Å; P60-L62 PolarHBondContact O-N 3.02Å; L62-W64 VanDerWaalsContact C-N 3.34Å; L62-V65 PolarHBondContact O-N 3.45Å; L62-K66 WeakPolarHBondContact O-CB 3.43Å; L62-K66 PolarHBondContact O-N 3.45Å; L62-T122 HydrophobicContact CD1-CG2 4.25Å; L62-F125 HydrophobicContact CD2-CD2 4.21Å; L62-F125 HydrophobicContact CD2-CE2 3.78Å; L62-F125 HydrophobicContact CG-CD2 4.24Å; L62-F125 HydrophobicContact CG-CE2 4.21Å
63M98.3Very high97Very high0 Ų022.2 Ų22.20%013%0.129CC..Hα-helixtrans-63.9-42.9172.8-173.8-175.367.900110.5F35 L39 F42 T44 G47 P60 V61 K66 A67F35-M63 HydrophobicContact CB-CE 4.01Å; F35-M63 HydrophobicContact CB-SD 3.82Å; F35-M63 HydrophobicContact CD1-CE 4.49Å; F35-M63 HydrophobicContact CD2-CE 3.55Å; F35-M63 HydrophobicContact CD2-SD 4.47Å; F35-M63 HydrophobicContact CE2-CE 4.12Å; F35-M63 HydrophobicContact CG-CE 3.78Å; F35-M63 HydrophobicContact CG-SD 4.14Å; L39-M63 HydrophobicContact CB-CG 4.29Å; L39-M63 HydrophobicContact CD1-CG 3.67Å; F42-M63 HydrophobicContact CB-CB 4.45Å; F42-M63 HydrophobicContact CB-CG 4.27Å; F42-M63 HydrophobicContact CB-SD 4.03Å; F42-M63 HydrophobicContact CD1-CB 3.82Å; F42-M63 HydrophobicContact CD1-CG 4.45Å; F42-M63 HydrophobicContact CD2-CB 3.9Å; F42-M63 HydrophobicContact CD2-CG 3.75Å; F42-M63 HydrophobicContact CE1-CB 3.94Å; F42-M63 HydrophobicContact CE2-CB 4.01Å; F42-M63 HydrophobicContact CE2-CG 4.14Å; F42-M63 HydrophobicContact CG-CB 3.79Å; F42-M63 HydrophobicContact CG-CG 3.9Å; F42-M63 HydrophobicContact CG-SD 4.31Å; F42-M63 HydrophobicContact CZ-CB 4.02Å; T44-M63 HydrophobicContact CG2-CE 4.18Å; T44-M63 HydrophobicContact CG2-SD 3.64Å; G47-M63 WeakPolarHBondContact O-CE 3.43Å; P60-M63 HydrophobicContact CB-CB 4.15Å; P60-M63 WeakPolarHBondContact O-CB 3.3Å; P60-M63 PolarHBondContact O-N 3.13Å; P60-M63 VanDerWaalsContact O-N 3.09Å; V61-M63 PolarHBondContact O-N 2.88Å; M63-K66 PolarHBondContact O-N 3.41Å; M63-A67 VanDerWaalsContact O-CB 3.3Å; M63-A67 WeakPolarHBondContact O-CB 3.45Å; M63-A67 PolarHBondContact O-N 2.81Å
64W98Very high97.1Very high10 Ų1022.2 Ų22.24%0.03812%0.122CC..Hα-helixtrans-65.9-38.9176.4-58-31.7000112.1F35 V61 L62 A67 L68 V98 V132 V192 F195F35-W64 AromaticContact CE2-CD1 3.86Å; F35-W64 AromaticContact CE2-NE1 3.92Å; F35-W64 AromaticContact CZ-CD1 3.77Å; V61-W64 HydrophobicContact CG1-CE3 4.31Å; V61-W64 HydrophobicContact CG2-CZ3 4.34Å; V61-W64 WeakPolarHBondContact O-CB 3.39Å; V61-W64 PolarHBondContact O-N 3.15Å; L62-W64 VanDerWaalsContact C-N 3.34Å; W64-A67 PolarHBondContact O-N 2.88Å; W64-L68 PolarHBondContact O-N 2.92Å; W64-L68 VanDerWaalsContact O-N 3.11Å; W64-V98 HydrophobicContact CE3-CG2 4.31Å; W64-V98 HydrophobicContact CZ3-CG2 3.76Å; W64-V132 HydrophobicContact CH2-CG1 4.31Å; W64-V132 HydrophobicContact CZ2-CG1 4.06Å; W64-V192 HydrophobicContact CH2-CG2 3.84Å; W64-V192 HydrophobicContact CZ2-CG2 4.48Å; W64-V192 HydrophobicContact CZ3-CG2 4.02Å; W64-F195 HydrophobicContact CB-CE1 4.13Å; W64-F195 HydrophobicContact CE3-CD1 4.43Å; W64-F195 HydrophobicContact CE3-CE1 4.11Å
65V98.5Very high97.4Very high0 Ų019.7 Ų19.70%010%0.096CC..Hα-helixtrans-63.2-47.5175.1-174.90000110.7V61 L62 A67 L68 D69 L117 H118 L121 F125 F195 L199V61-V65 PolarHBondContact O-N 2.97Å; L62-V65 PolarHBondContact O-N 3.45Å; V65-A67 VanDerWaalsContact C-N 3.35Å; V65-A67 PolarHBondContact O-N 2.71Å; V65-L68 WeakPolarHBondContact O-CB 3.48Å; V65-L68 PolarHBondContact O-N 3.48Å; V65-L68 VanDerWaalsContact O-N 3.14Å; V65-D69 PolarHBondContact O-N 3.21Å; V65-D69 VanDerWaalsContact O-N 3.15Å; V65-L117 HydrophobicContact CG1-CB 3.54Å; V65-H118 HydrophobicContact CB-CB 4.31Å; V65-H118 HydrophobicContact CG1-CB 3.97Å; V65-L121 HydrophobicContact CG1-CD1 3.98Å; V65-L121 HydrophobicContact CG2-CD1 4.34Å; V65-F125 HydrophobicContact CG2-CE2 4.24Å; V65-F125 HydrophobicContact CG2-CZ 4.08Å; V65-F195 HydrophobicContact CG2-CE2 4.47Å; V65-F195 HydrophobicContact CG2-CZ 3.72Å; V65-L199 HydrophobicContact CG2-CD1 4.47Å
66K98.5Very high97.6Very high54 Ų5420.8 Ų20.824%0.23510%0.097CC..Hα-helixtrans-67.2-36.5179.8-170.6171.4177.5-176.20112.1L39 E41 F42 L62 M63 L68 D69 L70 H118L39-K66 HydrophobicContact CD2-CB 4.29Å; L39-K66 HydrophobicContact CD2-CD 3.8Å; L39-K66 HydrophobicContact CD2-CG 3.8Å; E41-K66 WeakPolarHBondContact OE1-CE 3.49Å; E41-K66 IonicContact OE1-NZ 3.45Å; E41-K66 PolarHBondContact OE1-NZ 2.91Å; F42-K66 HydrophobicContact CE2-CD 4.13Å; L62-K66 WeakPolarHBondContact O-CB 3.43Å; L62-K66 PolarHBondContact O-N 3.45Å; M63-K66 PolarHBondContact O-N 3.41Å; K66-L68 PolarHBondContact O-N 3.21Å; K66-D69 PolarHBondContact O-N 3.19Å; K66-L70 WeakPolarHBondContact O-CG 3.26Å; K66-L70 PolarHBondContact O-N 2.81Å; K66-H118 HydrophobicContact CB-CB 3.84Å; K66-H118 HydrophobicContact CG-CB 4.38Å
67A97.8Very high97.6Very high0 Ų024.8 Ų24.80%013%0.131CC..Hα-helixtrans-59-37.9172.300000111.8L16 V33 F35 L39 M63 W64 V65 L71L16-A67 HydrophobicContact CB-CB 4.22Å; L16-A67 HydrophobicContact CD2-CB 4.07Å; V33-A67 HydrophobicContact CB-CB 4.43Å; V33-A67 HydrophobicContact CG1-CB 4.12Å; F35-A67 HydrophobicContact CD1-CB 4.08Å; F35-A67 HydrophobicContact CE1-CB 3.59Å; L39-A67 HydrophobicContact CD1-CB 3.78Å; M63-A67 VanDerWaalsContact O-CB 3.3Å; M63-A67 WeakPolarHBondContact O-CB 3.45Å; M63-A67 PolarHBondContact O-N 2.81Å; W64-A67 PolarHBondContact O-N 2.88Å; V65-A67 VanDerWaalsContact C-N 3.35Å; V65-A67 PolarHBondContact O-N 2.71Å; A67-L71 VanDerWaalsContact O-CB 3.26Å; A67-L71 WeakPolarHBondContact O-CB 3.48Å; A67-L71 PolarHBondContact O-N 2.86Å
68L97.8Very high97.6Very high6 Ų627.6 Ų27.63%0.03116%0.155CC..Hα-helixtrans-66.4-43.7176.3179.460.5000112.2L6 L16 W64 V65 K66 L71 L72 L117 L199 F200L6-L68 HydrophobicContact CD1-CD1 3.48Å; L6-L68 VanDerWaalsContact CD1-CD1 3.48Å; L6-L68 HydrophobicContact CD2-CD1 4.28Å; L16-L68 HydrophobicContact CD2-CB 4.03Å; L16-L68 HydrophobicContact CD2-CD1 4.23Å; W64-L68 PolarHBondContact O-N 2.92Å; W64-L68 VanDerWaalsContact O-N 3.11Å; V65-L68 WeakPolarHBondContact O-CB 3.48Å; V65-L68 PolarHBondContact O-N 3.48Å; V65-L68 VanDerWaalsContact O-N 3.14Å; K66-L68 PolarHBondContact O-N 3.21Å; L68-L71 PolarHBondContact O-N 3.46Å; L68-L72 HydrophobicContact CD1-CD1 3.83Å; L68-L72 HydrophobicContact CD1-CG 3.9Å; L68-L72 HydrophobicContact CG-CD1 4.01Å; L68-L72 HydrophobicContact CG-CG 4.44Å; L68-L72 WeakPolarHBondContact O-CG 3.4Å; L68-L72 PolarHBondContact O-N 2.96Å; L68-L117 HydrophobicContact CD2-CD1 3.9Å; L68-L117 HydrophobicContact CG-CD1 4.41Å; L68-L199 HydrophobicContact CD2-CB 3.96Å; L68-L199 HydrophobicContact CD2-CD1 3.71Å; L68-L199 HydrophobicContact CD2-CG 4.49Å; L68-F200 HydrophobicContact CD1-CE2 3.89Å; L68-F200 HydrophobicContact CD1-CZ 3.86Å; L68-F200 HydrophobicContact CD2-CE2 3.82Å; L68-F200 HydrophobicContact CD2-CZ 4.38Å
69D98.3Very high97.5Very high2 Ų230.5 Ų30.51%0.01119%0.186CC..Hα-helixtrans-55.9-52.8173.5-74.4-44.1000110.6V65 K66 L71 L72 D73 L117 H118V65-D69 PolarHBondContact O-N 3.21Å; V65-D69 VanDerWaalsContact O-N 3.15Å; K66-D69 PolarHBondContact O-N 3.19Å; D69-L71 VanDerWaalsContact C-N 3.3Å; D69-L71 PolarHBondContact O-N 2.91Å; D69-L72 PolarHBondContact O-N 3.49Å; D69-D73 WeakPolarHBondContact O-CB 3.44Å; D69-D73 PolarHBondContact O-N 3.27Å; D69-L117 WeakPolarHBondContact OD1-CB 3.39Å; D69-L117 PolarHBondContact OD1-N 3.5Å; D69-L117 PolarHBondContact OD2-N 3.42Å; D69-L117 VanDerWaalsContact OD2-N 3.07Å; D69-H118 IonicContact OD2-CE1 3.69Å; D69-H118 IonicContact OD2-CG 3.54Å; D69-H118 PolarHBondContact OD2-N 2.86Å; D69-H118 IonicContact OD2-ND1 2.67Å; D69-H118 PolarHBondContact OD2-ND1 3.4Å
70L98.3Very high97.5Very high59 Ų5931.4 Ų31.431%0.30919%0.19SC..Hα-helixtrans-58.6-40.9180-70.4-176.6000112.7V33 L39 K66 R74V33-L70 HydrophobicContact CG1-CD1 4.21Å; V33-L70 HydrophobicContact CG2-CB 3.96Å; L39-L70 HydrophobicContact CD2-CD1 3.52Å; L39-L70 HydrophobicContact CG-CD1 4.24Å; K66-L70 WeakPolarHBondContact O-CG 3.26Å; K66-L70 PolarHBondContact O-N 2.81Å; L70-R74 VanDerWaalsContact O-CB 3.28Å; L70-R74 WeakPolarHBondContact O-CB 3.1Å; L70-R74 PolarHBondContact O-N 2.89Å
71L96.9Very high97.3Very high0 Ų032.2 Ų32.20%020%0.201CC..Hα-helixtrans-66.9-47.5-179.1-177.759.9000111.5L6 L16 A18 D31 V33 A67 L68 D69 R74 M75L6-L71 HydrophobicContact CD2-CD2 3.39Å; L6-L71 HydrophobicContact CD2-CG 4.5Å; L16-L71 HydrophobicContact CB-CD2 4.49Å; L16-L71 HydrophobicContact CD2-CB 4.3Å; L16-L71 HydrophobicContact CD2-CD2 3.61Å; L16-L71 HydrophobicContact CG-CD2 3.63Å; A18-L71 HydrophobicContact CB-CD1 4.2Å; A18-L71 HydrophobicContact CB-CD2 3.91Å; A18-L71 HydrophobicContact CB-CG 4.22Å; D31-L71 HydrophobicContact CB-CD1 3.53Å; V33-L71 HydrophobicContact CG2-CB 3.84Å; V33-L71 HydrophobicContact CG2-CD1 4.32Å; A67-L71 VanDerWaalsContact O-CB 3.26Å; A67-L71 WeakPolarHBondContact O-CB 3.48Å; A67-L71 PolarHBondContact O-N 2.86Å; L68-L71 PolarHBondContact O-N 3.46Å; D69-L71 VanDerWaalsContact C-N 3.3Å; D69-L71 PolarHBondContact O-N 2.91Å; L71-R74 PolarHBondContact O-N 3.4Å; L71-M75 HydrophobicContact CG-SD 4.46Å; L71-M75 VanDerWaalsContact O-CG 3.29Å; L71-M75 WeakPolarHBondContact O-CG 3.48Å; L71-M75 PolarHBondContact O-N 3.45Å
72L97.1Very high97.2Very high0 Ų032.5 Ų32.50%020%0.202CC..Hα-helixtrans-69.2-38.4179.9-66.7176.3000111.9L68 D69 M75 K76 F82 F200 L258 Y262L68-L72 HydrophobicContact CD1-CD1 3.83Å; L68-L72 HydrophobicContact CD1-CG 3.9Å; L68-L72 HydrophobicContact CG-CD1 4.01Å; L68-L72 HydrophobicContact CG-CG 4.44Å; L68-L72 WeakPolarHBondContact O-CG 3.4Å; L68-L72 PolarHBondContact O-N 2.96Å; D69-L72 PolarHBondContact O-N 3.49Å; L72-M75 HydrophobicContact CD2-SD 4.39Å; L72-M75 PolarHBondContact O-N 3.39Å; L72-K76 WeakPolarHBondContact O-CB 3.32Å; L72-K76 PolarHBondContact O-N 3.19Å; L72-F82 HydrophobicContact CD2-CE1 3.91Å; L72-F82 HydrophobicContact CD2-CZ 4.17Å; L72-F200 HydrophobicContact CD1-CZ 4.42Å; L72-L258 HydrophobicContact CD1-CD2 3.86Å; L72-Y262 HydrophobicContact CB-CD1 3.98Å; L72-Y262 HydrophobicContact CB-CD2 4.47Å; L72-Y262 HydrophobicContact CB-CE1 3.47Å; L72-Y262 VanDerWaalsContact CB-CE1 3.47Å; L72-Y262 HydrophobicContact CB-CE2 3.99Å; L72-Y262 HydrophobicContact CB-CG 4.47Å; L72-Y262 VanDerWaalsContact CB-CZ 3.47Å; L72-Y262 HydrophobicContact CD1-CD2 4.11Å; L72-Y262 HydrophobicContact CD1-CE2 3.64Å; L72-Y262 HydrophobicContact CG-CE2 4.46Å
73D97.9Very high97.1Very high54 Ų5435.1 Ų35.129%0.28922%0.222SC..Hα-helixtrans-63.4-41174.2-77.4-22.9000111.2D69 K76 A77 R261 Y262D69-D73 WeakPolarHBondContact O-CB 3.44Å; D69-D73 PolarHBondContact O-N 3.27Å; D73-K76 PolarHBondContact O-N 2.8Å; D73-A77 WeakPolarHBondContact O-CB 3.48Å; D73-A77 PolarHBondContact O-N 3.38Å; D73-R261 IonicContact OD1-NH2 3.74Å; D73-R261 PolarHBondContact OD1-NH2 2.84Å; D73-R261 IonicContact OD2-NH2 2.84Å; D73-Y262 WeakPolarHBondContact OD1-CE1 3.44Å; D73-Y262 PolarHBondContact OD1-OH 3.39Å
74R97.2Very high96.9Very high85 Ų8542.4 Ų42.432%0.32125%0.25SC..Hα-helixtrans-62-48.3174.6-178178.9-55.8169.111.8112D31 S32 E38 L70 L71 K76 A77 A78D31-R74 WeakPolarHBondContact OD1-CD 3.47Å; S32-R74 PolarHBondContact O-NH1 3.02Å; E38-R74 IonicContact OE2-CZ 2.68Å; E38-R74 IonicContact OE2-NH1 3.76Å; E38-R74 IonicContact OE2-NH2 3.46Å; E38-R74 PolarHBondContact OE2-NH2 3.38Å; L70-R74 VanDerWaalsContact O-CB 3.28Å; L70-R74 WeakPolarHBondContact O-CB 3.1Å; L70-R74 PolarHBondContact O-N 2.89Å; L71-R74 PolarHBondContact O-N 3.4Å; R74-K76 VanDerWaalsContact C-N 3.28Å; R74-K76 PolarHBondContact O-N 3.33Å; R74-A77 PolarHBondContact O-N 3.15Å; R74-A78 WeakPolarHBondContact O-CB 3.39Å; R74-A78 PolarHBondContact O-N 3.26Å
75M96.4Very high96.8Very high0 Ų042 Ų420%025%0.248CC..Hα-helixtrans-58.4-43176.5-73.3177.573.300111.2L4 A18 D31 L71 L72 A78 G79 F80 F82L4-M75 HydrophobicContact CD1-CE 3.29Å; L4-M75 HydrophobicContact CD1-SD 4.26Å; L4-M75 HydrophobicContact CD2-CE 3.98Å; L4-M75 HydrophobicContact CG-CE 4.29Å; A18-M75 HydrophobicContact CB-CE 4.44Å; A18-M75 HydrophobicContact CB-SD 3.77Å; D31-M75 HydrophobicContact CB-CG 4.13Å; D31-M75 WeakPolarHBondContact OD2-CG 3.49Å; L71-M75 HydrophobicContact CG-SD 4.46Å; L71-M75 VanDerWaalsContact O-CG 3.29Å; L71-M75 WeakPolarHBondContact O-CG 3.48Å; L71-M75 PolarHBondContact O-N 3.45Å; L72-M75 HydrophobicContact CD2-SD 4.39Å; L72-M75 PolarHBondContact O-N 3.39Å; M75-A78 PolarHBondContact O-N 3.11Å; M75-G79 PolarHBondContact O-N 3.35Å; M75-F80 HydrophobicContact CB-CB 4.08Å; M75-F80 HydrophobicContact CE-CB 4.5Å; M75-F80 HydrophobicContact CE-CD1 3.52Å; M75-F80 HydrophobicContact CE-CD2 4.11Å; M75-F80 HydrophobicContact CE-CE1 3.61Å; M75-F80 HydrophobicContact CE-CE2 4.21Å; M75-F80 HydrophobicContact CE-CG 3.77Å; M75-F80 HydrophobicContact CE-CZ 3.97Å; M75-F80 WeakPolarHBondContact O-CB 3.44Å; M75-F80 PolarHBondContact O-N 3.31Å; M75-F82 HydrophobicContact CB-CE1 4.49Å; M75-F82 HydrophobicContact CB-CE2 4.24Å; M75-F82 HydrophobicContact CB-CZ 3.64Å; M75-F82 HydrophobicContact CE-CE1 4.07Å; M75-F82 HydrophobicContact CE-CZ 4.3Å; M75-F82 HydrophobicContact SD-CE1 4.46Å; M75-F82 HydrophobicContact SD-CZ 4.42Å
76K96.3Very high96.6Very high107 Ų10747.9 Ų47.947%0.46527%0.27SS..Hα-helixtrans-61.6-46.2175.5-172.4177.9178.7177.40111.7L72 D73 R74 A78 G79 F82 R261 Y262L72-K76 WeakPolarHBondContact O-CB 3.32Å; L72-K76 PolarHBondContact O-N 3.19Å; D73-K76 PolarHBondContact O-N 2.8Å; R74-K76 VanDerWaalsContact C-N 3.28Å; R74-K76 PolarHBondContact O-N 3.33Å; K76-A78 VanDerWaalsContact C-N 3.27Å; K76-A78 PolarHBondContact O-N 3.01Å; K76-G79 PolarHBondContact O-N 2.92Å; K76-F82 HydrophobicContact CB-CE2 3.92Å; K76-R261 PolarHBondContact NZ-O 3.35Å; K76-Y262 HydrophobicContact CB-CD1 4.39Å; K76-Y262 HydrophobicContact CD-CD1 4.04Å
77A97.2Very high96.5Very high92 Ų9245.3 Ų45.376%0.7626%0.259SS*.Hα-helixtrans-63.8-32.6177.800000112.5D73 R74 G79D73-A77 WeakPolarHBondContact O-CB 3.48Å; D73-A77 PolarHBondContact O-N 3.38Å; R74-A77 PolarHBondContact O-N 3.15Å; A77-G79 PolarHBondContact O-N 3.07Å
78A96.4Very high96.4Very high69 Ų6945.3 Ų45.357%0.5726%0.259SS*.THydrogen-bonded Turntrans-740.5172.800000113.7R74 M75 K76R74-A78 WeakPolarHBondContact O-CB 3.39Å; R74-A78 PolarHBondContact O-N 3.26Å; M75-A78 PolarHBondContact O-N 3.11Å; K76-A78 VanDerWaalsContact C-N 3.27Å; K76-A78 PolarHBondContact O-N 3.01Å
79G95.8Very high96.4Very high64 Ų6445 Ų4566%0.6626%0.258SS*.THydrogen-bonded Turntrans76.921.9179.900000114M75 K76 A77 G81M75-G79 PolarHBondContact O-N 3.35Å; K76-G79 PolarHBondContact O-N 2.92Å; A77-G79 PolarHBondContact O-N 3.07Å; G79-G81 PolarHBondContact O-N 3.19Å
80F95.5Very high96.3Very high20 Ų2045 Ų459%0.08826%0.257CS..  trans-61.8125.2178.2-177.4-101.3000111.4L4 A20 H29 M75 F82 V85L4-F80 HydrophobicContact CD1-CE1 4.39Å; L4-F80 HydrophobicContact CD1-CZ 4.21Å; L4-F80 HydrophobicContact CD2-CE1 4.27Å; A20-F80 HydrophobicContact CB-CE2 3.5Å; A20-F80 VanDerWaalsContact CB-CE2 3.5Å; A20-F80 HydrophobicContact CB-CZ 3.61Å; H29-F80 HydrophobicContact CB-CD2 3.73Å; H29-F80 HydrophobicContact CB-CE2 3.68Å; H29-F80 AromaticContact CG-CD2 3.54Å; H29-F80 AromaticContact CG-CE2 3.98Å; H29-F80 AromaticContact ND1-CD2 3.76Å; M75-F80 HydrophobicContact CB-CB 4.08Å; M75-F80 HydrophobicContact CE-CB 4.5Å; M75-F80 HydrophobicContact CE-CD1 3.52Å; M75-F80 HydrophobicContact CE-CD2 4.11Å; M75-F80 HydrophobicContact CE-CE1 3.61Å; M75-F80 HydrophobicContact CE-CE2 4.21Å; M75-F80 HydrophobicContact CE-CG 3.77Å; M75-F80 HydrophobicContact CE-CZ 3.97Å; M75-F80 WeakPolarHBondContact O-CB 3.44Å; M75-F80 PolarHBondContact O-N 3.31Å; F80-F82 HydrophobicContact CB-CE2 4.45Å; F80-F82 AromaticContact CD1-CD1 3.58Å; F80-F82 HydrophobicContact CD1-CD1 3.58Å; F80-F82 AromaticContact CD1-CD2 3.97Å; F80-F82 HydrophobicContact CD1-CD2 3.97Å; F80-F82 AromaticContact CD1-CE1 3.63Å; F80-F82 HydrophobicContact CD1-CE1 3.63Å; F80-F82 AromaticContact CD1-CE2 4Å; F80-F82 HydrophobicContact CD1-CE2 4Å; F80-F82 AromaticContact CD1-CG 3.78Å; F80-F82 HydrophobicContact CD1-CG 3.78Å; F80-F82 AromaticContact CD1-CZ 3.86Å; F80-F82 HydrophobicContact CD1-CZ 3.86Å; F80-F82 AromaticContact CE1-CD1 3.67Å; F80-F82 HydrophobicContact CE1-CD1 3.67Å; F80-F82 AromaticContact CE1-CE1 3.93Å; F80-F82 HydrophobicContact CE1-CE1 3.93Å; F80-F82 HydrophobicContact CE1-CG 4.16Å; F80-F82 WeakPolarHBondContact O-CD2 3.32Å; F80-F82 PolarHBondContact O-N 3.28Å; F80-V85 HydrophobicContact CE1-CG2 3.84Å; F80-V85 HydrophobicContact CZ-CG2 4.07Å
81G94.5Very high96.1Very high29 Ų2942.3 Ų42.330%0.29924%0.244SC..  trans-78.676-177.900000113.4G79 S83 R84G79-G81 PolarHBondContact O-N 3.19Å; G81-S83 PolarHBondContact O-N 2.71Å; G81-S83 VanDerWaalsContact O-N 3.14Å; G81-R84 WeakPolarHBondContact O-CB 3.42Å; G81-R84 PolarHBondContact O-N 3.32Å
82F95.9Very high96Very high5 Ų542.3 Ų42.32%0.02224%0.244CC..G310 helixtrans-54.5-30.3179.6-71.9-75.3000114.4L4 L72 M75 K76 F80 R84 V85 Y262 G263 F264L4-F82 HydrophobicContact CD2-CD1 4.29Å; L4-F82 HydrophobicContact CD2-CE1 4.03Å; L72-F82 HydrophobicContact CD2-CE1 3.91Å; L72-F82 HydrophobicContact CD2-CZ 4.17Å; M75-F82 HydrophobicContact CB-CE1 4.49Å; M75-F82 HydrophobicContact CB-CE2 4.24Å; M75-F82 HydrophobicContact CB-CZ 3.64Å; M75-F82 HydrophobicContact CE-CE1 4.07Å; M75-F82 HydrophobicContact CE-CZ 4.3Å; M75-F82 HydrophobicContact SD-CE1 4.46Å; M75-F82 HydrophobicContact SD-CZ 4.42Å; K76-F82 HydrophobicContact CB-CE2 3.92Å; F80-F82 HydrophobicContact CB-CE2 4.45Å; F80-F82 AromaticContact CD1-CD1 3.58Å; F80-F82 HydrophobicContact CD1-CD1 3.58Å; F80-F82 AromaticContact CD1-CD2 3.97Å; F80-F82 HydrophobicContact CD1-CD2 3.97Å; F80-F82 AromaticContact CD1-CE1 3.63Å; F80-F82 HydrophobicContact CD1-CE1 3.63Å; F80-F82 AromaticContact CD1-CE2 4Å; F80-F82 HydrophobicContact CD1-CE2 4Å; F80-F82 AromaticContact CD1-CG 3.78Å; F80-F82 HydrophobicContact CD1-CG 3.78Å; F80-F82 AromaticContact CD1-CZ 3.86Å; F80-F82 HydrophobicContact CD1-CZ 3.86Å; F80-F82 AromaticContact CE1-CD1 3.67Å; F80-F82 HydrophobicContact CE1-CD1 3.67Å; F80-F82 AromaticContact CE1-CE1 3.93Å; F80-F82 HydrophobicContact CE1-CE1 3.93Å; F80-F82 HydrophobicContact CE1-CG 4.16Å; F80-F82 WeakPolarHBondContact O-CD2 3.32Å; F80-F82 PolarHBondContact O-N 3.28Å; F82-R84 PolarHBondContact O-N 3.02Å; F82-R84 VanDerWaalsContact O-N 3.13Å; F82-V85 WeakPolarHBondContact O-CB 3.35Å; F82-V85 WeakPolarHBondContact O-CG2 3.41Å; F82-V85 PolarHBondContact O-N 2.6Å; F82-Y262 WeakPolarHBondContact CB-O 3.18Å; F82-Y262 VanDerWaalsContact CD2-O 3.24Å; F82-Y262 WeakPolarHBondContact CD2-O 2.8Å; F82-Y262 HydrophobicContact CE2-CD1 4.42Å; F82-G263 CarbonylContact C-O 3.52Å; F82-F264 HydrophobicContact CB-CD2 4.11Å; F82-F264 HydrophobicContact CB-CE2 4.35Å; F82-F264 HydrophobicContact CB-CG 4.27Å; F82-F264 HydrophobicContact CD1-CD1 4.46Å; F82-F264 AromaticContact CD1-CD2 3.88Å; F82-F264 HydrophobicContact CD1-CD2 3.88Å; F82-F264 AromaticContact CD1-CE1 3.92Å; F82-F264 HydrophobicContact CD1-CE1 3.92Å; F82-F264 AromaticContact CD1-CE2 3.24Å; F82-F264 HydrophobicContact CD1-CE2 3.24Å; F82-F264 HydrophobicContact CD1-CG 4.45Å; F82-F264 AromaticContact CD1-CZ 3.28Å; F82-F264 HydrophobicContact CD1-CZ 3.28Å; F82-F264 AromaticContact CE1-CE2 3.65Å; F82-F264 HydrophobicContact CE1-CE2 3.65Å; F82-F264 AromaticContact CE1-CZ 3.65Å; F82-F264 HydrophobicContact CE1-CZ 3.65Å; F82-F264 HydrophobicContact CG-CD2 4.21Å; F82-F264 AromaticContact CG-CE2 3.98Å; F82-F264 HydrophobicContact CG-CE2 3.98Å; F82-F264 HydrophobicContact CG-CZ 4.34Å
83S96Very high95.7Very high81 Ų8142.3 Ų42.357%0.56624%0.244SC*.G310 helixtrans-62.3-19.3176.860.30000113.7G81 G263G81-S83 PolarHBondContact O-N 2.71Å; G81-S83 VanDerWaalsContact O-N 3.14Å; S83-G263 VanDerWaalsContact CA-O 3.23Å; S83-G263 WeakPolarHBondContact CA-O 3.41Å; S83-G263 WeakPolarHBondContact CB-O 3.36Å; S83-G263 PolarHBondContact N-O 2.96Å; S83-G263 VanDerWaalsContact N-O 3.08Å
84R94.3Very high95.5Very high154 Ų15440 Ų4058%0.58123%0.231SC*.G310 helixtrans-86-8178.2-59.917662.7-169.3-2.2113.2N2 G81 F82 R86N2-R84 HydrophobicContact CB-CB 4.34Å; N2-R84 PolarHBondContact N-O 3.42Å; G81-R84 WeakPolarHBondContact O-CB 3.42Å; G81-R84 PolarHBondContact O-N 3.32Å; F82-R84 PolarHBondContact O-N 3.02Å; F82-R84 VanDerWaalsContact O-N 3.13Å; R84-R86 PolarHBondContact O-N 3.48Å
85V95.4Very high95.4Very high0 Ų036.3 Ų36.30%022%0.218CC..EExtended strand (participates in β ladder)trans-73.4120-179.9-175.40000109.4N2 L4 F80 F82 F264 C268N2-V85 WeakPolarHBondContact O-CA 3.48Å; L4-V85 HydrophobicContact CB-CG1 3.73Å; L4-V85 HydrophobicContact CB-CG2 3.88Å; L4-V85 HydrophobicContact CD2-CG2 4.49Å; F80-V85 HydrophobicContact CE1-CG2 3.84Å; F80-V85 HydrophobicContact CZ-CG2 4.07Å; F82-V85 WeakPolarHBondContact O-CB 3.35Å; F82-V85 WeakPolarHBondContact O-CG2 3.41Å; F82-V85 PolarHBondContact O-N 2.6Å; V85-F264 HydrophobicContact CB-CD1 4.12Å; V85-F264 HydrophobicContact CB-CE1 4.15Å; V85-F264 HydrophobicContact CG1-CD1 4.4Å; V85-F264 HydrophobicContact CG1-CE1 4.15Å; V85-F264 HydrophobicContact CG2-CD1 4.45Å; V85-F264 HydrophobicContact CG2-CE1 4.16Å; V85-C268 WeakPolarHBondContact O-CB 3.24Å
86R95.4Very high95.4Very high125 Ų12536.4 Ų36.447%0.47222%0.218SC..EExtended strand (participates in β ladder)trans-96.4-36.7-178.6-68.1-59.9-58.1-128.6-4.5113.3M1 N2 R84 C268 S269M1-R86 HydrophobicContact CG-CB 4.44Å; M1-R86 HydrophobicContact CG-CG 3.75Å; N2-R86 PolarHBondContact O-N 3.45Å; R84-R86 PolarHBondContact O-N 3.48Å; R86-C268 WeakPolarHBondContact O-CA 3.41Å; R86-S269 PolarHBondContact O-N 3.4Å; R86-S269 VanDerWaalsContact O-N 3.08Å
87A95.9Very high95.5Very high0 Ų031.3 Ų31.30%020%0.196CC..EExtended strand (participates in β ladder)trans-147.7156.4173.700000110.4C3 L4 S269 A473 L477C3-A87 WeakPolarHBondContact CA-O 3.23Å; L4-A87 PolarHBondContact N-O 2.75Å; A87-S269 CarbonylContact C-O 2.96Å; A87-S269 WeakPolarHBondContact CA-O 3.42Å; A87-A473 HydrophobicContact CB-CB 4.13Å; A87-A473 VanDerWaalsContact CB-O 3.29Å; A87-A473 WeakPolarHBondContact CB-O 3.45Å; A87-L477 HydrophobicContact CB-CD1 3.77Å; A87-L477 HydrophobicContact CB-CD2 3.99Å; A87-L477 HydrophobicContact CB-CG 3.86Å
88L95.6Very high95.5Very high0 Ų026.9 Ų26.90%016%0.16CC..EExtended strand (participates in β ladder)trans-137.7137.1176.6179.3153.4000110.1L4 F200 F264 S269 I270 V271 F273L4-L88 HydrophobicContact CB-CD1 4.15Å; L4-L88 HydrophobicContact CD2-CD1 3.99Å; L4-L88 HydrophobicContact CG-CD1 4Å; L4-L88 VanDerWaalsContact O-CA 3.26Å; L4-L88 WeakPolarHBondContact O-CA 3.4Å; L4-L88 WeakPolarHBondContact O-CB 3.38Å; L4-L88 VanDerWaalsContact O-CG 3.28Å; L4-L88 WeakPolarHBondContact O-CG 3.4Å; L88-F200 HydrophobicContact CD1-CD1 3.6Å; L88-F200 HydrophobicContact CD1-CE1 3.4Å; L88-F200 VanDerWaalsContact CD1-CE1 3.4Å; L88-F200 HydrophobicContact CD1-CG 4.4Å; L88-F200 HydrophobicContact CD1-CZ 4.11Å; L88-F200 HydrophobicContact CD2-CD1 4.03Å; L88-F200 HydrophobicContact CD2-CD2 4.44Å; L88-F200 HydrophobicContact CD2-CE1 4.45Å; L88-F200 HydrophobicContact CD2-CG 4.04Å; L88-F200 HydrophobicContact CG-CD1 4.43Å; L88-F264 HydrophobicContact CD1-CE1 4.49Å; L88-S269 PolarHBondContact N-O 2.93Å; L88-I270 HydrophobicContact CB-CD1 4.05Å; L88-I270 HydrophobicContact CD2-CD1 4.12Å; L88-I270 CarbonylContact O-C 3.57Å; L88-I270 WeakPolarHBondContact O-CA 2.94Å; L88-V271 PolarHBondContact O-N 2.87Å; L88-F273 HydrophobicContact CD2-CE1 3.37Å; L88-F273 HydrophobicContact CD2-CZ 3.41Å; L88-F273 VanDerWaalsContact CD2-CZ 3.41Å
89S97.5Very high95.7Very high0 Ų023.6 Ų23.60%013%0.133CC..EExtended strand (participates in β ladder)trans-138.8179165.9-168.50000107.6K5 L6 V271 A272 F273 S469 R472K5-S89 VanDerWaalsContact CA-O 3.24Å; K5-S89 WeakPolarHBondContact CA-O 3.41Å; K5-S89 WeakPolarHBondContact CB-O 3.4Å; L6-S89 PolarHBondContact N-O 2.93Å; S89-V271 PolarHBondContact OG-O 3.37Å; S89-A272 PolarHBondContact OG-O 2.62Å; S89-F273 VanDerWaalsContact C-CE1 3.42Å; S89-S469 WeakPolarHBondContact CB-O 3.1Å; S89-R472 PolarHBondContact OG-NH1 3.08Å
90G95.7Very high95.8Very high0 Ų020.6 Ų20.60%010%0.101CC..EExtended strand (participates in β ladder)trans-164.9178.1-179.200000113.1L6 F273 T274 S469L6-G90 CarbonylContact O-C 3.58Å; L6-G90 WeakPolarHBondContact O-CA 3.41Å; G90-F273 VanDerWaalsContact CA-CD2 3.48Å; G90-F273 VanDerWaalsContact O-CA 3.27Å; G90-F273 WeakPolarHBondContact O-CA 3.44Å; G90-F273 WeakPolarHBondContact O-CB 3.47Å; G90-T274 PolarHBondContact O-N 2.95Å; G90-S469 VanDerWaalsContact C-OG 3.32Å
91S94.9Very high96Very high3 Ų323 Ų232%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-126.6140.5174.676.10000112L6 C7 V8 T274 S469L6-S91 PolarHBondContact O-N 3.49Å; C7-S91 WeakPolarHBondContact CA-O 3.24Å; C7-S91 PolarHBondContact SG-OG 2.9Å; V8-S91 PolarHBondContact N-O 3.14Å; S91-T274 CarbonylContact C-O 3.45Å; S91-T274 WeakPolarHBondContact CA-O 2.97Å; S91-S469 PolarHBondContact N-OG 2.94Å
92G94.1Very high96.1Very high1 Ų125.7 Ų25.71%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-105151.6167.900000110.9Q94 T274 G275 D276G92-Q94 PolarHBondContact O-N 2.99Å; G92-T274 PolarHBondContact N-O 3.48Å; G92-G275 CarbonylContact O-C 3.5Å; G92-D276 PolarHBondContact O-N 3.4Å
93Q91.5Very high96.3Very high0 Ų027.1 Ų27.10%014%0.137CC..  trans-54.3129.6162.160.8173.9-31.800108.5V8 V192V8-Q93 HydrophobicContact CG1-CG 4.28Å; V8-Q93 PolarHBondContact O-N 3.13Å; Q93-V192 HydrophobicContact CG-CB 4.3Å; Q93-V192 HydrophobicContact CG-CG1 4.23Å; Q93-V192 HydrophobicContact CG-CG2 3.98Å
94Q93.8Very high96.4Very high4 Ų423.3 Ų23.32%0.01911%0.11CC..SBendtrans-64.5161.6-172.6-62.7-162.3-91.900112.6G92 G96 D211 D276 N277G92-Q94 PolarHBondContact O-N 2.99Å; Q94-G96 PolarHBondContact O-N 3.14Å; Q94-D211 WeakPolarHBondContact CG-OD1 3.43Å; Q94-D211 PolarHBondContact NE2-OD1 2.97Å; Q94-D211 VanDerWaalsContact NE2-OD1 3.14Å; Q94-D276 WeakPolarHBondContact CG-OD1 3.11Å; Q94-N277 PolarHBondContact OE1-ND2 3.27Å
95H95.8Very high96.6Very high9 Ų917.8 Ų17.84%0.04210%0.097CC..SBendtrans69.3-28170.6-37.6-64.9000116.8R166 F167 T168 G214H95-R166 HydrophobicContact CB-CG 4.49Å; H95-R166 WeakPolarHBondContact CB-O 3.46Å; H95-R166 PolarHBondContact CD2-NE 3.14Å; H95-R166 PolarHBondContact NE2-NE 3.35Å; H95-R166 VanDerWaalsContact NE2-NE 3.19Å; H95-F167 AromaticContact CE1-CD1 3.78Å; H95-F167 AromaticContact CE1-CE1 3.39Å; H95-F167 WeakPolarHBondContact CE1-CE1 3.22Å; H95-F167 AromaticContact CE1-CZ 3.88Å; H95-F167 AromaticContact ND1-CD1 3.76Å; H95-F167 AromaticContact ND1-CE1 3.84Å; H95-F167 AromaticContact NE2-CE1 3.99Å; H95-T168 WeakPolarHBondContact CA-OG1 3.35Å; H95-T168 PolarHBondContact O-OG1 2.66Å; H95-G214 PolarHBondContact ND1-O 3.16Å
96G95.4Very high96.7Very high1 Ų126 Ų261%0.0113%0.128CC..  trans-61142.1-179.900000112.3Q94 P131 L191 V192Q94-G96 PolarHBondContact O-N 3.14Å; G96-P131 WeakPolarHBondContact CA-O 3.38Å; G96-L191 VanDerWaalsContact O-CA 3.32Å; G96-L191 WeakPolarHBondContact O-CA 3.47Å; G96-V192 PolarHBondContact O-N 3.43Å; G96-V192 VanDerWaalsContact O-N 3.16Å
97A98.2Very high96.9Very high0 Ų022.2 Ų22.20%012%0.119CC..EExtended strand (participates in β ladder)trans-120.6137.7-175.300000113F99 S130 P131 T168 I189 S190A97-F99 HydrophobicContact CB-CE2 3.76Å; A97-F99 HydrophobicContact CB-CZ 4.07Å; A97-S130 WeakPolarHBondContact O-CB 3.15Å; A97-S130 PolarHBondContact O-OG 3.31Å; A97-P131 HydrophobicContact CB-CG 4.48Å; A97-P131 PolarHBondContact N-O 3.11Å; A97-T168 HydrophobicContact CB-CG2 3.67Å; A97-I189 HydrophobicContact CB-CG2 4.34Å; A97-S190 CarbonylContact C-O 3.55Å; A97-S190 VanDerWaalsContact CA-O 3.32Å; A97-S190 WeakPolarHBondContact CA-O 3.3Å
98V98.8Very high97Very high0 Ų022.3 Ų22.30%012%0.12CC..EExtended strand (participates in β ladder)trans-109.2130.4170.6177.40000109.4V61 W64 F125 I189 S190 F195V61-V98 HydrophobicContact CG1-CG1 3.87Å; V61-V98 HydrophobicContact CG1-CG2 4.12Å; V61-V98 HydrophobicContact CG2-CG1 4.34Å; V61-V98 HydrophobicContact CG2-CG2 4.23Å; W64-V98 HydrophobicContact CE3-CG2 4.31Å; W64-V98 HydrophobicContact CZ3-CG2 3.76Å; V98-F125 HydrophobicContact CG1-CD1 3.64Å; V98-F125 HydrophobicContact CG1-CE1 3.7Å; V98-I189 WeakPolarHBondContact O-CA 3.24Å; V98-S190 PolarHBondContact N-O 2.92Å; V98-S190 PolarHBondContact O-N 3.26Å; V98-F195 HydrophobicContact CB-CB 4.28Å; V98-F195 HydrophobicContact CB-CD2 4.04Å; V98-F195 HydrophobicContact CB-CG 4.26Å; V98-F195 HydrophobicContact CG1-CD2 3.72Å; V98-F195 HydrophobicContact CG1-CE2 4.08Å; V98-F195 HydrophobicContact CG1-CG 4.41Å; V98-F195 HydrophobicContact CG2-CB 3.98Å; V98-F195 HydrophobicContact CG2-CD1 4.2Å; V98-F195 HydrophobicContact CG2-CD2 3.88Å; V98-F195 HydrophobicContact CG2-CE2 4.45Å; V98-F195 HydrophobicContact CG2-CG 3.75Å
99F98.9Very high97.1Very high0 Ų026.7 Ų26.70%015%0.146CC..EExtended strand (participates in β ladder)trans-108.6104.5-179-58.5-103.5000108.6A97 F125 S126 V127 P131 I172 V175 T186 I189A97-F99 HydrophobicContact CB-CE2 3.76Å; A97-F99 HydrophobicContact CB-CZ 4.07Å; F99-F125 WeakPolarHBondContact O-CA 3.39Å; F99-S126 VanDerWaalsContact CB-OG 3.31Å; F99-S126 WeakPolarHBondContact CB-OG 3.24Å; F99-S126 PolarHBondContact O-N 2.66Å; F99-S126 PolarHBondContact O-OG 3.08Å; F99-V127 HydrophobicContact CB-CB 3.9Å; F99-V127 HydrophobicContact CB-CG2 3.7Å; F99-V127 HydrophobicContact CD1-CG2 4.19Å; F99-V127 HydrophobicContact CD2-CB 3.73Å; F99-V127 HydrophobicContact CD2-CG1 4.27Å; F99-V127 HydrophobicContact CD2-CG2 3.73Å; F99-V127 HydrophobicContact CE2-CG2 4.42Å; F99-V127 HydrophobicContact CG-CB 3.99Å; F99-V127 HydrophobicContact CG-CG2 3.61Å; F99-P131 HydrophobicContact CE2-CG 4.42Å; F99-I172 HydrophobicContact CE1-CG1 4.18Å; F99-I172 HydrophobicContact CZ-CG1 4.15Å; F99-V175 HydrophobicContact CD1-CG1 4.35Å; F99-V175 HydrophobicContact CE1-CB 4.17Å; F99-V175 HydrophobicContact CE1-CG1 3.96Å; F99-V175 HydrophobicContact CE1-CG2 4.37Å; F99-V175 HydrophobicContact CE2-CG2 4.17Å; F99-V175 HydrophobicContact CZ-CB 4.06Å; F99-V175 HydrophobicContact CZ-CG1 4.19Å; F99-V175 HydrophobicContact CZ-CG2 3.78Å; F99-T186 HydrophobicContact CB-CG2 4.04Å; F99-T186 HydrophobicContact CD1-CG2 4.24Å; F99-I189 HydrophobicContact CD1-CD1 4.01Å; F99-I189 HydrophobicContact CD1-CG1 3.86Å; F99-I189 HydrophobicContact CE1-CD1 3.93Å; F99-I189 HydrophobicContact CE1-CG1 4.19Å
100W98.9Very high97.1Very high0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-80.9129.3-179-61.491.3000110.5A104 L108 S124 F125 T186 E187 R188 S190 F195 L199 Y204W100-A104 HydrophobicContact CB-CB 4.22Å; W100-A104 HydrophobicContact CE3-CB 3.9Å; W100-L108 HydrophobicContact CE3-CD1 4.4Å; W100-L108 HydrophobicContact CH2-CD1 3.89Å; W100-L108 HydrophobicContact CH2-CD2 4.02Å; W100-L108 HydrophobicContact CH2-CG 4.38Å; W100-L108 HydrophobicContact CZ2-CD1 4.37Å; W100-L108 HydrophobicContact CZ3-CD1 3.91Å; W100-L108 HydrophobicContact CZ3-CD2 4.14Å; W100-L108 HydrophobicContact CZ3-CG 4.19Å; W100-S124 WeakPolarHBondContact CA-O 3.34Å; W100-F125 HydrophobicContact CD2-CD1 4.43Å; W100-F125 HydrophobicContact CD2-CE1 4.05Å; W100-F125 HydrophobicContact CE3-CD1 4.09Å; W100-F125 AromaticContact CE3-CE1 3.55Å; W100-F125 HydrophobicContact CE3-CE1 3.55Å; W100-F125 HydrophobicContact CE3-CZ 4.36Å; W100-F125 AromaticContact CH2-CE1 4Å; W100-F125 HydrophobicContact CH2-CE1 4Å; W100-F125 HydrophobicContact CH2-CZ 4.37Å; W100-F125 HydrophobicContact CZ2-CE1 4.46Å; W100-F125 HydrophobicContact CZ3-CD1 4.46Å; W100-F125 AromaticContact CZ3-CE1 3.52Å; W100-F125 HydrophobicContact CZ3-CE1 3.52Å; W100-F125 AromaticContact CZ3-CZ 3.93Å; W100-F125 HydrophobicContact CZ3-CZ 3.93Å; W100-T186 CarbonylContact O-C 3.55Å; W100-T186 VanDerWaalsContact O-CA 3.31Å; W100-T186 WeakPolarHBondContact O-CA 3.19Å; W100-E187 PolarHBondContact O-N 3.31Å; W100-R188 HydrophobicContact CB-CB 3.96Å; W100-R188 HydrophobicContact CG-CB 4.14Å; W100-R188 HydrophobicContact CG-CG 4.47Å; W100-R188 PolarHBondContact N-O 2.95Å; W100-S190 PolarHBondContact NE1-OG 3.4Å; W100-F195 AromaticContact CE2-CD2 3.96Å; W100-F195 AromaticContact CH2-CD2 3.82Å; W100-F195 HydrophobicContact CH2-CD2 3.82Å; W100-F195 AromaticContact CH2-CE2 3.73Å; W100-F195 HydrophobicContact CH2-CE2 3.73Å; W100-F195 AromaticContact CZ2-CD2 3.31Å; W100-F195 HydrophobicContact CZ2-CD2 3.31Å; W100-F195 AromaticContact CZ2-CE2 3.73Å; W100-F195 HydrophobicContact CZ2-CE2 3.73Å; W100-F195 HydrophobicContact CZ2-CG 4.44Å; W100-L199 HydrophobicContact CH2-CD2 4.12Å; W100-Y204 HydrophobicContact CB-CE1 4.05Å; W100-Y204 WeakPolarHBondContact CB-OH 3.21Å; W100-Y204 AromaticContact CD1-CE1 3.83Å; W100-Y204 HydrophobicContact CD2-CD1 4.36Å; W100-Y204 AromaticContact CD2-CE1 3.52Å; W100-Y204 HydrophobicContact CD2-CE1 3.52Å; W100-Y204 AromaticContact CE2-CE1 3.72Å; W100-Y204 HydrophobicContact CE3-CE1 4.01Å; W100-Y204 HydrophobicContact CG-CD1 4.44Å; W100-Y204 AromaticContact CG-CE1 3.55Å; W100-Y204 HydrophobicContact CG-CE1 3.55Å; W100-Y204 HydrophobicContact CZ2-CD1 4.5Å; W100-Y204 HydrophobicContact CZ2-CE1 4.32Å; W100-Y204 AromaticContact NE1-CE1 3.91Å
101R98.7Very high97.2Very high72 Ų7234 Ų3427%0.27218%0.181SC..EExtended strand (participates in β ladder)trans-66149.5177.1174.3171.6-64.5145.5-6111.3G103 A104 D123 S124 D185 E187R101-G103 PolarHBondContact O-N 2.82Å; R101-A104 WeakPolarHBondContact O-CB 3.33Å; R101-A104 PolarHBondContact O-N 3.07Å; R101-D123 WeakPolarHBondContact CD-O 3.23Å; R101-D123 PolarHBondContact NH1-O 2.83Å; R101-D123 IonicContact NH1-OD1 3.05Å; R101-S124 PolarHBondContact N-O 3.41Å; R101-D185 CarbonylContact C-O 3.58Å; R101-D185 WeakPolarHBondContact CA-O 3.39Å; R101-D185 WeakPolarHBondContact CD-OD2 3.27Å; R101-D185 VanDerWaalsContact CG-OD2 3.27Å; R101-D185 WeakPolarHBondContact CG-OD2 3.42Å; R101-D185 IonicContact CZ-OD2 3.75Å; R101-D185 IonicContact NE-OD2 3.56Å; R101-D185 PolarHBondContact NE-OD2 3.38Å; R101-E187 WeakPolarHBondContact O-CG 3.34Å
102T98.5Very high97.4Very high84 Ų8437.2 Ų37.252%0.51520%0.198SC..THydrogen-bonded Turntrans-50.2124.3169.2-55.20000111.6D185 E187T102-D185 PolarHBondContact N-O 3.47Å; T102-D185 PolarHBondContact OG1-O 3.26Å; T102-D185 VanDerWaalsContact OG1-O 3.05Å; T102-D185 PolarHBondContact OG1-OD1 3.39Å; T102-E187 WeakPolarHBondContact CA-OE2 3.5Å
103G98.3Very high97.5Very high35 Ų3539.2 Ų39.236%0.36121%0.211SC..THydrogen-bonded Turntrans95.5-11.1-175.800000115R101 A105 R106 T107 E187R101-G103 PolarHBondContact O-N 2.82Å; G103-A105 PolarHBondContact O-N 3.14Å; G103-R106 WeakPolarHBondContact O-CB 3.33Å; G103-R106 PolarHBondContact O-N 2.9Å; G103-T107 PolarHBondContact O-N 3.4Å; G103-E187 VanDerWaalsContact N-CD 3.33Å; G103-E187 PolarHBondContact N-OE2 3.44Å
104A98.7Very high97.8Very high2 Ų242.2 Ų42.22%0.01724%0.242CC..Hα-helixtrans-62.2-28.6-179.900000113.3W100 R101 R106 T107 L108 S124 E187 Y204W100-A104 HydrophobicContact CB-CB 4.22Å; W100-A104 HydrophobicContact CE3-CB 3.9Å; R101-A104 WeakPolarHBondContact O-CB 3.33Å; R101-A104 PolarHBondContact O-N 3.07Å; A104-R106 VanDerWaalsContact C-N 3.25Å; A104-R106 PolarHBondContact O-N 3.44Å; A104-T107 WeakPolarHBondContact O-CB 3.37Å; A104-T107 PolarHBondContact O-N 3.37Å; A104-L108 PolarHBondContact O-N 2.78Å; A104-S124 WeakPolarHBondContact CB-O 3.3Å; A104-E187 PolarHBondContact N-OE1 3.4Å; A104-Y204 WeakPolarHBondContact CB-OH 3.24Å
105A98.4Very high98Very high37 Ų3746.2 Ų46.231%0.30626%0.26SS..Hα-helixtrans-56.6-41.7171.700000111.8G103 L108 T109 E187 Y204G103-A105 PolarHBondContact O-N 3.14Å; A105-L108 PolarHBondContact O-N 2.88Å; A105-T109 WeakPolarHBondContact O-CG2 3.45Å; A105-T109 PolarHBondContact O-N 3.3Å; A105-T109 PolarHBondContact O-OG1 3.3Å; A105-E187 VanDerWaalsContact CB-OE1 3.28Å; A105-E187 WeakPolarHBondContact CB-OE1 3.4Å; A105-E187 PolarHBondContact N-OE1 2.87Å; A105-Y204 HydrophobicContact CB-CD2 4.37Å; A105-Y204 HydrophobicContact CB-CE2 3.63Å; A105-Y204 PolarHBondContact N-OH 3.47Å; A105-Y204 VanDerWaalsContact N-OH 3.13Å
106R98.3Very high98.1Very high173 Ų17347.7 Ų47.765%0.65327%0.268SS*.Hα-helixtrans-65.1-46.6177.6-175-178.5-66.6177.10.4110.1G103 A104 L108 T109 Q110G103-R106 WeakPolarHBondContact O-CB 3.33Å; G103-R106 PolarHBondContact O-N 2.9Å; A104-R106 VanDerWaalsContact C-N 3.25Å; A104-R106 PolarHBondContact O-N 3.44Å; R106-L108 VanDerWaalsContact C-N 3.35Å; R106-L108 PolarHBondContact O-N 2.86Å; R106-T109 PolarHBondContact O-N 2.99Å; R106-T109 PolarHBondContact O-OG1 3.03Å; R106-Q110 WeakPolarHBondContact O-CB 3.16Å; R106-Q110 WeakPolarHBondContact O-CG 3.36Å; R106-Q110 PolarHBondContact O-N 3.27Å
107T98.5Very high98.3Very high46 Ų4647.7 Ų47.728%0.28227%0.268SS..Hα-helixtrans-55.4-48.5177.3-50.80000111.6G103 A104 T109 Q110 L111 Q120 L121G103-T107 PolarHBondContact O-N 3.4Å; A104-T107 WeakPolarHBondContact O-CB 3.37Å; A104-T107 PolarHBondContact O-N 3.37Å; T107-T109 VanDerWaalsContact C-N 3.29Å; T107-T109 PolarHBondContact O-N 3.42Å; T107-Q110 CarbonylContact O-C 3.54Å; T107-Q110 PolarHBondContact O-N 2.97Å; T107-Q110 VanDerWaalsContact O-N 3.11Å; T107-L111 PolarHBondContact O-N 2.87Å; T107-Q120 WeakPolarHBondContact CG2-O 3.38Å; T107-L121 HydrophobicContact CG2-CD2 3.86Å
108L98.3Very high98.2Very high2 Ų249.6 Ų49.61%0.0128%0.277CS..Hα-helixtrans-58.8-38.9178.8-75.2171.5000112.9W100 A104 A105 R106 Q110 L111 L121 L199 G202 Y204W100-L108 HydrophobicContact CE3-CD1 4.4Å; W100-L108 HydrophobicContact CH2-CD1 3.89Å; W100-L108 HydrophobicContact CH2-CD2 4.02Å; W100-L108 HydrophobicContact CH2-CG 4.38Å; W100-L108 HydrophobicContact CZ2-CD1 4.37Å; W100-L108 HydrophobicContact CZ3-CD1 3.91Å; W100-L108 HydrophobicContact CZ3-CD2 4.14Å; W100-L108 HydrophobicContact CZ3-CG 4.19Å; A104-L108 PolarHBondContact O-N 2.78Å; A105-L108 PolarHBondContact O-N 2.88Å; R106-L108 VanDerWaalsContact C-N 3.35Å; R106-L108 PolarHBondContact O-N 2.86Å; L108-Q110 VanDerWaalsContact C-N 3.29Å; L108-Q110 PolarHBondContact O-N 2.69Å; L108-L111 WeakPolarHBondContact O-CD1 3.44Å; L108-L111 WeakPolarHBondContact O-CG 3.4Å; L108-L121 HydrophobicContact CD2-CD1 4.46Å; L108-L121 HydrophobicContact CD2-CD2 4.09Å; L108-L199 HydrophobicContact CD2-CD2 4.45Å; L108-G202 CarbonylContact C-O 3.52Å; L108-G202 VanDerWaalsContact O-O 3.06Å; L108-Y204 HydrophobicContact CD1-CD1 3.78Å; L108-Y204 HydrophobicContact CD1-CE1 3.57Å
109T97.3Very high98.2Very high91 Ų9154.3 Ų54.356%0.55830%0.299SS*.Hα-helixtrans-78-11.9-179.959.20000114.3A105 R106 T107 G202A105-T109 WeakPolarHBondContact O-CG2 3.45Å; A105-T109 PolarHBondContact O-N 3.3Å; A105-T109 PolarHBondContact O-OG1 3.3Å; R106-T109 PolarHBondContact O-N 2.99Å; R106-T109 PolarHBondContact O-OG1 3.03Å; T107-T109 VanDerWaalsContact C-N 3.29Å; T107-T109 PolarHBondContact O-N 3.42Å; T109-G202 PolarHBondContact N-O 2.75Å
110Q97.6Very high98.2Very high138 Ų13856 Ų5665%0.64531%0.307SS*.THydrogen-bonded Turntrans-120.123.4-173.4-65-178-11.800112.7R106 T107 L108 D112R106-Q110 WeakPolarHBondContact O-CB 3.16Å; R106-Q110 WeakPolarHBondContact O-CG 3.36Å; R106-Q110 PolarHBondContact O-N 3.27Å; T107-Q110 CarbonylContact O-C 3.54Å; T107-Q110 PolarHBondContact O-N 2.97Å; T107-Q110 VanDerWaalsContact O-N 3.11Å; L108-Q110 VanDerWaalsContact C-N 3.29Å; L108-Q110 PolarHBondContact O-N 2.69Å; Q110-D112 PolarHBondContact O-N 3.45Å
111L98.4Very high98.2Very high16 Ų1656 Ų568%0.08431%0.307CS..  trans-61.7127.6179.7-67.9169000112.1T107 L108 L117 Q120 L121 F257T107-L111 PolarHBondContact O-N 2.87Å; L108-L111 WeakPolarHBondContact O-CD1 3.44Å; L108-L111 WeakPolarHBondContact O-CG 3.4Å; L111-L117 HydrophobicContact CD1-CD2 3.71Å; L111-L117 HydrophobicContact CD2-CD2 4.08Å; L111-L117 HydrophobicContact CG-CD2 4.48Å; L111-Q120 HydrophobicContact CD2-CB 3.94Å; L111-L121 HydrophobicContact CD2-CD2 4.29Å; L111-F257 HydrophobicContact CB-CB 3.87Å; L111-F257 HydrophobicContact CB-CD2 3.72Å; L111-F257 HydrophobicContact CB-CG 3.9Å; L111-F257 HydrophobicContact CD1-CB 4.38Å; L111-F257 HydrophobicContact CD1-CD1 4.48Å; L111-F257 HydrophobicContact CD1-CG 4.28Å
112D98.3Very high98.1Very high70 Ų7055.5 Ų55.537%0.37431%0.312SS..  trans-85117.9175.1174.69.3000110.4Q110 G114 Q115 Q120 F257Q110-D112 PolarHBondContact O-N 3.45Å; D112-G114 PolarHBondContact O-N 3.02Å; D112-G114 VanDerWaalsContact O-N 3.15Å; D112-G114 PolarHBondContact OD1-N 3.02Å; D112-Q115 PolarHBondContact O-N 3.38Å; D112-Q115 VanDerWaalsContact O-N 3.13Å; D112-Q115 PolarHBondContact OD2-NE2 3.34Å; D112-Q120 PolarHBondContact O-NE2 3.28Å; D112-F257 VanDerWaalsContact O-CE2 3.29Å; D112-F257 WeakPolarHBondContact O-CE2 3.39Å
113P97.8Very high98Very high44 Ų4457.1 Ų57.129%0.28632%0.317SS..THydrogen-bonded Turntrans-63.4-17.5179.327-34.8000113.9Q115 F257 H260 R261P113-Q115 VanDerWaalsContact C-N 3.26Å; P113-Q115 PolarHBondContact O-N 2.84Å; P113-F257 HydrophobicContact CB-CD2 4.3Å; P113-H260 HydrophobicContact CB-CB 3.74Å; P113-H260 HydrophobicContact CG-CB 3.88Å; P113-R261 HydrophobicContact CB-CB 4.04Å; P113-R261 PolarHBondContact O-NH1 2.82Å; P113-R261 VanDerWaalsContact O-NH1 3.08Å
114G97.9Very high98Very high62 Ų6255.6 Ų55.664%0.63930%0.301SS*.THydrogen-bonded Turntrans-71.9-15.317500000114.5D112D112-G114 PolarHBondContact O-N 3.02Å; D112-G114 VanDerWaalsContact O-N 3.15Å; D112-G114 PolarHBondContact OD1-N 3.02Å
115Q97.8Very high98Very high89 Ų8955.5 Ų55.542%0.41630%0.3SS..SBendtrans-119.1158.6-175.4-66.3178.267.200111.9D112 P113 Q120 F257 R261D112-Q115 PolarHBondContact O-N 3.38Å; D112-Q115 VanDerWaalsContact O-N 3.13Å; D112-Q115 PolarHBondContact OD2-NE2 3.34Å; P113-Q115 VanDerWaalsContact C-N 3.26Å; P113-Q115 PolarHBondContact O-N 2.84Å; Q115-Q120 HydrophobicContact CB-CG 3.98Å; Q115-Q120 PolarHBondContact O-NE2 2.83Å; Q115-F257 WeakPolarHBondContact O-CE2 3.42Å; Q115-R261 PolarHBondContact O-NH1 2.99Å
116N98Very high98.1Very high39 Ų3954 Ų5421%0.20929%0.288CS..  trans-75.2152.5176.6-66-27.7000110.9H118 Q119 Q120 R261N116-H118 VanDerWaalsContact CB-CE1 3.49Å; N116-H118 WeakPolarHBondContact CB-CE1 3.3Å; N116-H118 WeakPolarHBondContact CB-ND1 3.36Å; N116-H118 PolarHBondContact O-N 3.28Å; N116-Q119 HydrophobicContact CB-CG 4.28Å; N116-Q119 PolarHBondContact O-N 3.41Å; N116-Q120 WeakPolarHBondContact O-CG 3.44Å; N116-Q120 PolarHBondContact O-N 3.19Å; N116-Q120 PolarHBondContact O-NE2 3.31Å; N116-R261 PolarHBondContact OD1-NH2 2.84Å
117L97.9Very high98.1Very high1 Ų145.8 Ų45.81%0.00526%0.257CS..Hα-helixtrans-61.2-44.7178.1-72.2172.7000111.4V65 L68 D69 L111 Q119 Q120 L121 F257V65-L117 HydrophobicContact CG1-CB 3.54Å; L68-L117 HydrophobicContact CD2-CD1 3.9Å; L68-L117 HydrophobicContact CG-CD1 4.41Å; D69-L117 WeakPolarHBondContact OD1-CB 3.39Å; D69-L117 PolarHBondContact OD1-N 3.5Å; D69-L117 PolarHBondContact OD2-N 3.42Å; D69-L117 VanDerWaalsContact OD2-N 3.07Å; L111-L117 HydrophobicContact CD1-CD2 3.71Å; L111-L117 HydrophobicContact CD2-CD2 4.08Å; L111-L117 HydrophobicContact CG-CD2 4.48Å; L117-Q119 PolarHBondContact O-N 3.44Å; L117-Q120 PolarHBondContact O-N 3.01Å; L117-Q120 VanDerWaalsContact O-N 3.14Å; L117-L121 WeakPolarHBondContact O-CB 3.36Å; L117-L121 WeakPolarHBondContact O-CG 3.37Å; L117-L121 PolarHBondContact O-N 3.32Å; L117-F257 HydrophobicContact CD1-CE1 4.03Å; L117-F257 HydrophobicContact CD2-CD1 3.91Å; L117-F257 HydrophobicContact CD2-CE1 3.4Å; L117-F257 HydrophobicContact CD2-CE2 4.32Å; L117-F257 HydrophobicContact CD2-CZ 3.64Å; L117-F257 HydrophobicContact CG-CE1 3.57Å; L117-F257 HydrophobicContact CG-CZ 3.7Å
118H97.8Very high98Very high41 Ų4146.9 Ų46.919%0.1926%0.259CS..Hα-helixtrans-63-30.4-175.771.2-83.8000113V65 K66 D69 N116 T122V65-H118 HydrophobicContact CB-CB 4.31Å; V65-H118 HydrophobicContact CG1-CB 3.97Å; K66-H118 HydrophobicContact CB-CB 3.84Å; K66-H118 HydrophobicContact CG-CB 4.38Å; D69-H118 IonicContact OD2-CE1 3.69Å; D69-H118 IonicContact OD2-CG 3.54Å; D69-H118 PolarHBondContact OD2-N 2.86Å; D69-H118 IonicContact OD2-ND1 2.67Å; D69-H118 PolarHBondContact OD2-ND1 3.4Å; N116-H118 VanDerWaalsContact CB-CE1 3.49Å; N116-H118 WeakPolarHBondContact CB-CE1 3.3Å; N116-H118 WeakPolarHBondContact CB-ND1 3.36Å; N116-H118 PolarHBondContact O-N 3.28Å; H118-T122 PolarHBondContact O-N 2.93Å; H118-T122 PolarHBondContact O-OG1 3.41Å
119Q98.1Very high98Very high99 Ų9949.4 Ų49.446%0.46327%0.272SS..Hα-helixtrans-69-46.7176-67.5171.8-41.100110.4N116 L117 T122N116-Q119 HydrophobicContact CB-CG 4.28Å; N116-Q119 PolarHBondContact O-N 3.41Å; L117-Q119 PolarHBondContact O-N 3.44Å; Q119-T122 PolarHBondContact O-OG1 3.33Å
120Q98.4Very high98Very high35 Ų3545 Ų4516%0.16425%0.246CC..Hα-helixtrans-71.9-29.6-176.7-63.3179.677.800113T107 L111 D112 Q115 N116 L117T107-Q120 WeakPolarHBondContact CG2-O 3.38Å; L111-Q120 HydrophobicContact CD2-CB 3.94Å; D112-Q120 PolarHBondContact O-NE2 3.28Å; Q115-Q120 HydrophobicContact CB-CG 3.98Å; Q115-Q120 PolarHBondContact O-NE2 2.83Å; N116-Q120 WeakPolarHBondContact O-CG 3.44Å; N116-Q120 PolarHBondContact O-N 3.19Å; N116-Q120 PolarHBondContact O-NE2 3.31Å; L117-Q120 PolarHBondContact O-N 3.01Å; L117-Q120 VanDerWaalsContact O-N 3.14Å
121L98.3Very high98Very high0 Ų038.8 Ų38.80%022%0.217CC..THydrogen-bonded Turntrans-95.94.7-177.6-60.6-179.6000114.1V65 T107 L108 L111 L117 D123 S124 F125 L199V65-L121 HydrophobicContact CG1-CD1 3.98Å; V65-L121 HydrophobicContact CG2-CD1 4.34Å; T107-L121 HydrophobicContact CG2-CD2 3.86Å; L108-L121 HydrophobicContact CD2-CD1 4.46Å; L108-L121 HydrophobicContact CD2-CD2 4.09Å; L111-L121 HydrophobicContact CD2-CD2 4.29Å; L117-L121 WeakPolarHBondContact O-CB 3.36Å; L117-L121 WeakPolarHBondContact O-CG 3.37Å; L117-L121 PolarHBondContact O-N 3.32Å; L121-D123 PolarHBondContact O-N 3.44Å; L121-D123 VanDerWaalsContact O-N 3.12Å; L121-S124 WeakPolarHBondContact O-CB 3.45Å; L121-S124 PolarHBondContact O-N 3.23Å; L121-F125 HydrophobicContact CB-CE2 4.16Å; L121-F125 HydrophobicContact CB-CZ 4.39Å; L121-F125 WeakPolarHBondContact O-CE2 3.15Å; L121-L199 HydrophobicContact CD1-CD2 3.53Å
122T97.2Very high97.7Very high61 Ų6138.1 Ų38.137%0.37421%0.213SC..THydrogen-bonded Turntrans-47.4-45.2-177.9-55.50000112.5L62 H118 Q119L62-T122 HydrophobicContact CD1-CG2 4.25Å; H118-T122 PolarHBondContact O-N 2.93Å; H118-T122 PolarHBondContact O-OG1 3.41Å; Q119-T122 PolarHBondContact O-OG1 3.33Å
123D97.3Very high97.3Very high118 Ų11839.8 Ų39.863%0.63122%0.215SC*.THydrogen-bonded Turntrans-98.814.9-176.9-67.2-49.7000114.2R101 L121R101-D123 WeakPolarHBondContact CD-O 3.23Å; R101-D123 PolarHBondContact NH1-O 2.83Å; R101-D123 IonicContact NH1-OD1 3.05Å; L121-D123 PolarHBondContact O-N 3.44Å; L121-D123 VanDerWaalsContact O-N 3.12Å
124S98.6Very high96.8Very high3 Ų340.9 Ų40.92%0.02122%0.217CC..SBendtrans-91.52-173.9-63.20000114.6W100 R101 A104 L121W100-S124 WeakPolarHBondContact CA-O 3.34Å; R101-S124 PolarHBondContact N-O 3.41Å; A104-S124 WeakPolarHBondContact CB-O 3.3Å; L121-S124 WeakPolarHBondContact O-CB 3.45Å; L121-S124 PolarHBondContact O-N 3.23Å
125F98.8Very high96.6Very high0 Ų038 Ų380%019%0.187CC..BIsolated β-bridgetrans-122.1126.5-176.6-51.5-68000111.4V61 L62 V65 V98 F99 W100 L121 Q128 F195V61-F125 HydrophobicContact CB-CD1 4.37Å; V61-F125 HydrophobicContact CB-CD2 4.19Å; V61-F125 HydrophobicContact CB-CE2 4.38Å; V61-F125 HydrophobicContact CB-CG 4.19Å; V61-F125 HydrophobicContact CG1-CD1 3.71Å; V61-F125 HydrophobicContact CG1-CD2 4Å; V61-F125 HydrophobicContact CG1-CE1 3.49Å; V61-F125 VanDerWaalsContact CG1-CE1 3.49Å; V61-F125 HydrophobicContact CG1-CE2 3.79Å; V61-F125 HydrophobicContact CG1-CG 3.96Å; V61-F125 HydrophobicContact CG1-CZ 3.54Å; L62-F125 HydrophobicContact CD2-CD2 4.21Å; L62-F125 HydrophobicContact CD2-CE2 3.78Å; L62-F125 HydrophobicContact CG-CD2 4.24Å; L62-F125 HydrophobicContact CG-CE2 4.21Å; V65-F125 HydrophobicContact CG2-CE2 4.24Å; V65-F125 HydrophobicContact CG2-CZ 4.08Å; V98-F125 HydrophobicContact CG1-CD1 3.64Å; V98-F125 HydrophobicContact CG1-CE1 3.7Å; F99-F125 WeakPolarHBondContact O-CA 3.39Å; W100-F125 HydrophobicContact CD2-CD1 4.43Å; W100-F125 HydrophobicContact CD2-CE1 4.05Å; W100-F125 HydrophobicContact CE3-CD1 4.09Å; W100-F125 AromaticContact CE3-CE1 3.55Å; W100-F125 HydrophobicContact CE3-CE1 3.55Å; W100-F125 HydrophobicContact CE3-CZ 4.36Å; W100-F125 AromaticContact CH2-CE1 4Å; W100-F125 HydrophobicContact CH2-CE1 4Å; W100-F125 HydrophobicContact CH2-CZ 4.37Å; W100-F125 HydrophobicContact CZ2-CE1 4.46Å; W100-F125 HydrophobicContact CZ3-CD1 4.46Å; W100-F125 AromaticContact CZ3-CE1 3.52Å; W100-F125 HydrophobicContact CZ3-CE1 3.52Å; W100-F125 AromaticContact CZ3-CZ 3.93Å; W100-F125 HydrophobicContact CZ3-CZ 3.93Å; L121-F125 HydrophobicContact CB-CE2 4.16Å; L121-F125 HydrophobicContact CB-CZ 4.39Å; L121-F125 WeakPolarHBondContact O-CE2 3.15Å; F125-Q128 PolarHBondContact O-NE2 3.49Å; F125-F195 HydrophobicContact CE1-CD2 4.43Å; F125-F195 AromaticContact CE1-CE2 3.7Å; F125-F195 HydrophobicContact CE1-CE2 3.7Å; F125-F195 AromaticContact CZ-CE2 3.81Å; F125-F195 HydrophobicContact CZ-CE2 3.81Å; F125-F195 HydrophobicContact CZ-CZ 4.31Å
126S98.7Very high96.4Very high6 Ų636.5 Ų36.54%0.04219%0.186CC..SBendtrans-78.6-31.7176.955.50000111.4F99 Q182 T186F99-S126 VanDerWaalsContact CB-OG 3.31Å; F99-S126 WeakPolarHBondContact CB-OG 3.24Å; F99-S126 PolarHBondContact O-N 2.66Å; F99-S126 PolarHBondContact O-OG 3.08Å; S126-Q182 VanDerWaalsContact CB-O 3.22Å; S126-Q182 WeakPolarHBondContact CB-O 3.39Å; S126-Q182 WeakPolarHBondContact O-CB 3.36Å; S126-Q182 VanDerWaalsContact O-CG 3.31Å; S126-Q182 WeakPolarHBondContact O-CG 3.29Å; S126-Q182 PolarHBondContact O-OE1 2.79Å; S126-Q182 PolarHBondContact OG-O 2.8Å; S126-T186 PolarHBondContact OG-OG1 2.93Å
127V98.4Very high96.3Very high0 Ų035.7 Ų35.70%018%0.183CC..  trans-113.3114.5170.5-175.70000108.3F99 D129 V175 Q182F99-V127 HydrophobicContact CB-CB 3.9Å; F99-V127 HydrophobicContact CB-CG2 3.7Å; F99-V127 HydrophobicContact CD1-CG2 4.19Å; F99-V127 HydrophobicContact CD2-CB 3.73Å; F99-V127 HydrophobicContact CD2-CG1 4.27Å; F99-V127 HydrophobicContact CD2-CG2 3.73Å; F99-V127 HydrophobicContact CE2-CG2 4.42Å; F99-V127 HydrophobicContact CG-CB 3.99Å; F99-V127 HydrophobicContact CG-CG2 3.61Å; V127-D129 WeakPolarHBondContact CG1-O 3.17Å; V127-V175 HydrophobicContact CG2-CG1 3.84Å; V127-Q182 HydrophobicContact CG2-CB 4.09Å
128Q97.8Very high96.3Very high70 Ų7035.6 Ų35.633%0.32718%0.183SC..SBendtrans-77.6-36.3-175.6-65-66.6-34.700112.7P60 V61 F125P60-Q128 WeakPolarHBondContact CA-O 3.19Å; V61-Q128 PolarHBondContact N-O 3.26Å; F125-Q128 PolarHBondContact O-NE2 3.49Å
129D97.4Very high96.3Very high54 Ų5434.9 Ų34.929%0.28919%0.186SC..EExtended strand (participates in β ladder)trans-103.4100.2178.7-69.1-50.2000110H49 T58 V127H49-D129 IonicContact ND1-OD1 3.26Å; T58-D129 HydrophobicContact CG2-CB 4.17Å; V127-D129 WeakPolarHBondContact CG1-O 3.17Å
130S97.3Very high96.3Very high0 Ų036.7 Ų36.70%020%0.198CC..EExtended strand (participates in β ladder)trans-72.6131.8-179.6-88.80000111.2T58 S59 V61 A97T58-S130 CarbonylContact C-O 3.6Å; T58-S130 WeakPolarHBondContact CA-O 3.35Å; T58-S130 VanDerWaalsContact CB-O 3.26Å; T58-S130 WeakPolarHBondContact CB-O 3.33Å; S59-S130 PolarHBondContact N-O 3.2Å; S59-S130 PolarHBondContact O-N 3.08Å; V61-S130 WeakPolarHBondContact CG2-OG 3.49Å; A97-S130 WeakPolarHBondContact O-CB 3.15Å; A97-S130 PolarHBondContact O-OG 3.31Å
131P97.3Very high96.3Very high7 Ų735.7 Ų35.75%0.04519%0.194CC..EExtended strand (participates in β ladder)trans-61.8144167.828.4-33.4000109.8G96 A97 F99 Q171G96-P131 WeakPolarHBondContact CA-O 3.38Å; A97-P131 HydrophobicContact CB-CG 4.48Å; A97-P131 PolarHBondContact N-O 3.11Å; F99-P131 HydrophobicContact CE2-CG 4.42Å; P131-Q171 HydrophobicContact CB-CB 4.3Å; P131-Q171 HydrophobicContact CB-CG 4.15Å; P131-Q171 HydrophobicContact CG-CB 4Å; P131-Q171 HydrophobicContact CG-CG 4.37Å
132V93.6Very high96.4Very high1 Ų135.9 Ų35.91%0.00620%0.195CC..  trans-122.1173.9179.8-63.30000111.4V48 V57 W64 M134 D135V48-V132 HydrophobicContact CG1-CG2 3.99Å; V57-V132 HydrophobicContact CB-CG2 4.2Å; V57-V132 HydrophobicContact CG1-CG2 3.8Å; V57-V132 WeakPolarHBondContact O-CG2 3.36Å; V57-V132 PolarHBondContact O-N 3.18Å; W64-V132 HydrophobicContact CH2-CG1 4.31Å; W64-V132 HydrophobicContact CZ2-CG1 4.06Å; V132-M134 HydrophobicContact CG2-CB 4.31Å; V132-M134 HydrophobicContact CG2-CE 4.34Å; V132-M134 PolarHBondContact O-N 2.94Å; V132-D135 WeakPolarHBondContact O-CB 3.27Å; V132-D135 PolarHBondContact O-N 3.19Å
133W89.7Confident96.4Very high106 Ų10637.3 Ų37.340%0.40220%0.2SC..THydrogen-bonded Turntrans-57.7-19.9-176.471.5-89.6000115D135 R166W133-D135 VanDerWaalsContact C-N 3.33Å; W133-R166 WeakPolarHBondContact O-CB 3.47Å; W133-R166 WeakPolarHBondContact O-CD 3.43Å
134M87.4Confident96.5Very high66 Ų6634 Ų3433%0.32519%0.189SC..THydrogen-bonded Turntrans-80.8-12.3178.3-67.3-172-73.900113.5V48 V57 V132 S136V48-M134 HydrophobicContact CB-CE 3.92Å; V48-M134 HydrophobicContact CG1-CE 3.21Å; V48-M134 HydrophobicContact CG2-CE 3.52Å; V57-M134 HydrophobicContact CB-CB 4.05Å; V57-M134 HydrophobicContact CG1-CB 3.88Å; V57-M134 HydrophobicContact CG1-CE 4.03Å; V57-M134 HydrophobicContact CG2-CB 4.19Å; V132-M134 HydrophobicContact CG2-CB 4.31Å; V132-M134 HydrophobicContact CG2-CE 4.34Å; V132-M134 PolarHBondContact O-N 2.94Å; M134-S136 PolarHBondContact O-N 3.42Å
135D92.2Very high96.5Very high3 Ų334.2 Ų34.22%0.01619%0.19CC..  trans-67.4127.9-178.8-168.4-67.2000111.1T56 V57 V132 W133 S137 R166 Q171T56-D135 VanDerWaalsContact CA-OD2 3.26Å; T56-D135 WeakPolarHBondContact CA-OD2 3.36Å; V57-D135 HydrophobicContact CB-CB 4.43Å; V57-D135 PolarHBondContact N-OD2 3.35Å; V132-D135 WeakPolarHBondContact O-CB 3.27Å; V132-D135 PolarHBondContact O-N 3.19Å; W133-D135 VanDerWaalsContact C-N 3.33Å; D135-S137 VanDerWaalsContact CG-OG 3.27Å; D135-S137 WeakPolarHBondContact OD1-CB 3.36Å; D135-S137 PolarHBondContact OD1-N 2.79Å; D135-S137 PolarHBondContact OD1-OG 3.11Å; D135-S137 PolarHBondContact OD2-OG 3.34Å; D135-R166 WeakPolarHBondContact O-CA 3.13Å; D135-R166 PolarHBondContact O-N 3.32Å; D135-Q171 PolarHBondContact OD1-NE2 3.13Å
136S94.9Very high96.5Very high56 Ų5635 Ų3539%0.39219%0.194SC..  trans-124.730.3-18067.20000112.4L55 M134L55-S136 WeakPolarHBondContact CD2-OG 3.23Å; L55-S136 PolarHBondContact O-N 2.99Å; M134-S136 PolarHBondContact O-N 3.42Å
137S96.3Very high96.5Very high22 Ų2242.4 Ų42.415%0.15423%0.228CC..  trans-107.46.8-165.769.30000114.7T56 D135 K174T56-S137 WeakPolarHBondContact OG1-CB 3.31Å; T56-S137 PolarHBondContact OG1-OG 3.14Å; D135-S137 VanDerWaalsContact CG-OG 3.27Å; D135-S137 WeakPolarHBondContact OD1-CB 3.36Å; D135-S137 PolarHBondContact OD1-N 2.79Å; D135-S137 PolarHBondContact OD1-OG 3.11Å; D135-S137 PolarHBondContact OD2-OG 3.34Å; S137-K174 PolarHBondContact OG-NZ 3.37Å
138S97.8Very high96.5Very high0 Ų045 Ų450%025%0.249CC..  trans-111.930.5-174.375.80000114.1L140 Q141 C142 E165 N170 Q171S138-L140 VanDerWaalsContact C-N 3.3Å; S138-L140 PolarHBondContact O-N 3.23Å; S138-Q141 VanDerWaalsContact C-OE1 3.28Å; S138-Q141 PolarHBondContact O-N 3.14Å; S138-Q141 PolarHBondContact O-OE1 3.48Å; S138-C142 PolarHBondContact O-N 3.39Å; S138-C142 PolarHBondContact O-SG 3.01Å; S138-C142 VanDerWaalsContact O-SG 3.34Å; S138-E165 VanDerWaalsContact OG-CA 3.23Å; S138-E165 WeakPolarHBondContact OG-CA 3.46Å; S138-E165 PolarHBondContact OG-O 3.26Å; S138-N170 WeakPolarHBondContact OG-CB 3.22Å; S138-Q171 PolarHBondContact OG-NE2 3.49Å
139G97.3Very high96.5Very high25 Ų2542 Ų4226%0.25824%0.237SC..Hα-helixtrans-56.4-41.3-177.100000113.4Q141 C142 D143G139-Q141 VanDerWaalsContact C-N 3.29Å; G139-Q141 PolarHBondContact O-N 2.91Å; G139-C142 WeakPolarHBondContact O-CB 3.33Å; G139-C142 PolarHBondContact O-N 2.88Å; G139-C142 VanDerWaalsContact O-N 3.12Å; G139-D143 PolarHBondContact O-N 3.38Å
140L98.3Very high96.6Very high137 Ų13742.6 Ų42.672%0.71726%0.255SS*.Hα-helixtrans-61.1-37.3176.5-66.1177.5000112.6S138 A144S138-L140 VanDerWaalsContact C-N 3.3Å; S138-L140 PolarHBondContact O-N 3.23Å; L140-A144 WeakPolarHBondContact O-CB 3.43Å; L140-A144 PolarHBondContact O-N 3.03Å; L140-A144 VanDerWaalsContact O-N 3.13Å
141Q98.8Very high96.6Very high15 Ų1543.9 Ų43.97%0.0727%0.269CS..Hα-helixtrans-73.2-34177.6-6674.628.600111.2S138 G139 A144 L145 N170 K174S138-Q141 VanDerWaalsContact C-OE1 3.28Å; S138-Q141 PolarHBondContact O-N 3.14Å; S138-Q141 PolarHBondContact O-OE1 3.48Å; G139-Q141 VanDerWaalsContact C-N 3.29Å; G139-Q141 PolarHBondContact O-N 2.91Å; Q141-A144 PolarHBondContact O-N 2.78Å; Q141-L145 WeakPolarHBondContact O-CB 3.03Å; Q141-L145 PolarHBondContact O-N 2.85Å; Q141-N170 HydrophobicContact CB-CB 4.18Å; Q141-K174 HydrophobicContact CG-CB 4.3Å
142C98.8Very high96.7Very high3 Ų344.7 Ų44.72%0.0228%0.276CS..Hα-helixtrans-61.1-47172.5-65.40000111.6S138 G139 L145 Q146 A163 E165 N170S138-C142 PolarHBondContact O-N 3.39Å; S138-C142 PolarHBondContact O-SG 3.01Å; S138-C142 VanDerWaalsContact O-SG 3.34Å; G139-C142 WeakPolarHBondContact O-CB 3.33Å; G139-C142 PolarHBondContact O-N 2.88Å; G139-C142 VanDerWaalsContact O-N 3.12Å; C142-L145 PolarHBondContact O-N 2.85Å; C142-Q146 VanDerWaalsContact O-CG 3.28Å; C142-Q146 WeakPolarHBondContact O-CG 3.27Å; C142-Q146 PolarHBondContact O-N 3.26Å; C142-A163 HydrophobicContact CB-CB 3.54Å; C142-A163 WeakPolarHBondContact O-CB 3.42Å; C142-E165 VanDerWaalsContact SG-CA 3.56Å; C142-E165 PolarHBondContact SG-N 3.17Å; C142-N170 PolarHBondContact SG-ND2 3.01Å; C142-N170 VanDerWaalsContact SG-ND2 3.41Å
143D98.6Very high96.9Very high92 Ų9248.7 Ų48.749%0.49230%0.295SS..Hα-helixtrans-62-46.4178.7-69.9-24.9000111.5G139 L145 Q146 E147G139-D143 PolarHBondContact O-N 3.38Å; D143-L145 PolarHBondContact O-N 2.9Å; D143-Q146 PolarHBondContact O-N 3.29Å; D143-E147 WeakPolarHBondContact O-CB 3.41Å; D143-E147 PolarHBondContact O-N 3.1Å
144A98.6Very high97.3Very high48 Ų4850.1 Ų50.140%0.39730%0.301SS..Hα-helixtrans-61.5-40.3177.500000113L140 Q141 E147 A148L140-A144 WeakPolarHBondContact O-CB 3.43Å; L140-A144 PolarHBondContact O-N 3.03Å; L140-A144 VanDerWaalsContact O-N 3.13Å; Q141-A144 PolarHBondContact O-N 2.78Å; A144-E147 PolarHBondContact O-N 2.68Å; A144-A148 WeakPolarHBondContact O-CB 3.18Å; A144-A148 PolarHBondContact O-N 3.48Å
145L98.8Very high97.9Very high7 Ų747 Ų474%0.03729%0.285CS..Hα-helixtrans-67.1-41.3177.6-179.260.5000111.6Q141 C142 D143 A148 A149 L155 N170 N216 C229 A232Q141-L145 WeakPolarHBondContact O-CB 3.03Å; Q141-L145 PolarHBondContact O-N 2.85Å; C142-L145 PolarHBondContact O-N 2.85Å; D143-L145 PolarHBondContact O-N 2.9Å; L145-A148 PolarHBondContact O-N 2.64Å; L145-A149 VanDerWaalsContact O-CB 3.31Å; L145-A149 WeakPolarHBondContact O-CB 3.35Å; L145-A149 PolarHBondContact O-N 3.13Å; L145-L155 HydrophobicContact CD2-CD1 4.39Å; L145-L155 HydrophobicContact CD2-CD2 4.03Å; L145-L155 HydrophobicContact CG-CD1 4.23Å; L145-L155 HydrophobicContact CG-CD2 3.93Å; L145-N170 WeakPolarHBondContact CD2-OD1 3.36Å; L145-N216 HydrophobicContact CD2-CB 3.64Å; L145-C229 HydrophobicContact CD1-CB 4.34Å; L145-A232 HydrophobicContact CD1-CB 3.75Å
146Q98.8Very high98.2Very high18 Ų1846.9 Ų46.98%0.08428%0.284CS..Hα-helixtrans-64.4-44.3176-68.5173.6144.500111C142 D143 A149 G150 G151 A152 L155 A163C142-Q146 VanDerWaalsContact O-CG 3.28Å; C142-Q146 WeakPolarHBondContact O-CG 3.27Å; C142-Q146 PolarHBondContact O-N 3.26Å; D143-Q146 PolarHBondContact O-N 3.29Å; Q146-A149 PolarHBondContact O-N 3.29Å; Q146-G150 PolarHBondContact O-N 2.97Å; Q146-G151 VanDerWaalsContact O-CA 3.32Å; Q146-G151 WeakPolarHBondContact O-CA 3.39Å; Q146-G151 PolarHBondContact O-N 3.34Å; Q146-A152 HydrophobicContact CG-CB 4.23Å; Q146-A152 VanDerWaalsContact OE1-CB 3.31Å; Q146-L155 HydrophobicContact CG-CD2 3.84Å; Q146-A163 HydrophobicContact CG-CB 3.59Å
147E98.6Very high98.3Very high160 Ų16047.2 Ų47.275%0.74828%0.282SS*.Hα-helixtrans-58.3-49.3176.3-175.3176.9-173.400111.2D143 A144 A149 G150D143-E147 WeakPolarHBondContact O-CB 3.41Å; D143-E147 PolarHBondContact O-N 3.1Å; A144-E147 PolarHBondContact O-N 2.68Å; E147-A149 VanDerWaalsContact C-N 3.28Å; E147-A149 PolarHBondContact O-N 3.35Å; E147-G150 PolarHBondContact O-N 3.09Å
148A98.4Very high98.4Very high55 Ų5546.7 Ų46.746%0.45528%0.277SS..Hα-helixtrans-62.2-33.6178.700000113.2A144 L145 G150 A232A144-A148 WeakPolarHBondContact O-CB 3.18Å; A144-A148 PolarHBondContact O-N 3.48Å; L145-A148 PolarHBondContact O-N 2.64Å; A148-G150 VanDerWaalsContact C-N 3.28Å; A148-G150 PolarHBondContact O-N 2.68Å; A148-A232 HydrophobicContact CB-CB 3.58Å
149A98.1Very high98.5Very high8 Ų846.7 Ų46.77%0.06628%0.277CS..THydrogen-bonded Turntrans-78.5-7177.200000114L145 Q146 E147 R154 L155L145-A149 VanDerWaalsContact O-CB 3.31Å; L145-A149 WeakPolarHBondContact O-CB 3.35Å; L145-A149 PolarHBondContact O-N 3.13Å; Q146-A149 PolarHBondContact O-N 3.29Å; E147-A149 VanDerWaalsContact C-N 3.28Å; E147-A149 PolarHBondContact O-N 3.35Å; A149-R154 WeakPolarHBondContact O-CB 3.23Å; A149-R154 WeakPolarHBondContact O-CG 3.42Å; A149-L155 HydrophobicContact CB-CB 3.9Å; A149-L155 HydrophobicContact CB-CD1 4.05Å; A149-L155 HydrophobicContact CB-CG 4.5Å
150G98.4Very high98.5Very high65 Ų6545.5 Ų45.567%0.6727%0.265SS*.THydrogen-bonded Turntrans86.922.4-175.400000114.4Q146 E147 A148Q146-G150 PolarHBondContact O-N 2.97Å; E147-G150 PolarHBondContact O-N 3.09Å; A148-G150 VanDerWaalsContact C-N 3.28Å; A148-G150 PolarHBondContact O-N 2.68Å
151G98.4Very high98.6Very high28 Ų2839 Ų3929%0.28923%0.231SC..SBendtrans116.5163.517500000114Q146 M153 R154 L155Q146-G151 VanDerWaalsContact O-CA 3.32Å; Q146-G151 WeakPolarHBondContact O-CA 3.39Å; Q146-G151 PolarHBondContact O-N 3.34Å; G151-M153 VanDerWaalsContact C-N 3.33Å; G151-M153 PolarHBondContact O-N 2.89Å; G151-R154 PolarHBondContact O-N 2.85Å; G151-L155 PolarHBondContact O-N 3.47Å
152A98.4Very high98.5Very high23 Ų2342.2 Ų42.219%0.1924%0.243CC..Hα-helixtrans-58.5-40-17700000113.6Q146 L155 A156 R162 L312Q146-A152 HydrophobicContact CG-CB 4.23Å; Q146-A152 VanDerWaalsContact OE1-CB 3.31Å; A152-L155 PolarHBondContact O-N 3.23Å; A152-A156 PolarHBondContact O-N 2.88Å; A152-R162 HydrophobicContact CB-CB 4.11Å; A152-L312 HydrophobicContact CB-CD2 3.74Å
153M98.4Very high98.5Very high85 Ų8542.1 Ų42.142%0.41924%0.242SC..Hα-helixtrans-67.2-42.3178.1-170.557.966.500111.7G151 L155 A156 D157 L312G151-M153 VanDerWaalsContact C-N 3.33Å; G151-M153 PolarHBondContact O-N 2.89Å; M153-L155 VanDerWaalsContact C-N 3.31Å; M153-L155 PolarHBondContact O-N 3.15Å; M153-A156 CarbonylContact O-C 3.46Å; M153-A156 WeakPolarHBondContact O-CA 3.28Å; M153-A156 WeakPolarHBondContact O-CB 3.48Å; M153-A156 PolarHBondContact O-N 3.46Å; M153-D157 PolarHBondContact O-N 3.12Å; M153-L312 HydrophobicContact CB-CD2 4.31Å; M153-L312 HydrophobicContact CE-CD1 4.28Å; M153-L312 HydrophobicContact CE-CD2 3.67Å; M153-L312 HydrophobicContact CE-CG 3.51Å; M153-L312 HydrophobicContact SD-CD2 4.45Å
154R98.6Very high98.5Very high137 Ų13739.2 Ų39.252%0.51723%0.225SC..Hα-helixtrans-64.9-38.3179-175.856.7176177.43.8111.7A149 G151 A156 D157 I158A149-R154 WeakPolarHBondContact O-CB 3.23Å; A149-R154 WeakPolarHBondContact O-CG 3.42Å; G151-R154 PolarHBondContact O-N 2.85Å; R154-A156 VanDerWaalsContact C-N 3.31Å; R154-D157 PolarHBondContact O-N 3.46Å; R154-I158 HydrophobicContact CG-CD1 4.35Å; R154-I158 WeakPolarHBondContact O-CG1 2.93Å; R154-I158 PolarHBondContact O-N 3.37Å
155L98.8Very high98.4Very high0 Ų040.3 Ų40.30%022%0.222CC..Hα-helixtrans-62.9-38.6171.8-176.862.2000111.9L145 Q146 A149 G151 A152 M153 I158 T159 S161 A163L145-L155 HydrophobicContact CD2-CD1 4.39Å; L145-L155 HydrophobicContact CD2-CD2 4.03Å; L145-L155 HydrophobicContact CG-CD1 4.23Å; L145-L155 HydrophobicContact CG-CD2 3.93Å; Q146-L155 HydrophobicContact CG-CD2 3.84Å; A149-L155 HydrophobicContact CB-CB 3.9Å; A149-L155 HydrophobicContact CB-CD1 4.05Å; A149-L155 HydrophobicContact CB-CG 4.5Å; G151-L155 PolarHBondContact O-N 3.47Å; A152-L155 PolarHBondContact O-N 3.23Å; M153-L155 VanDerWaalsContact C-N 3.31Å; M153-L155 PolarHBondContact O-N 3.15Å; L155-I158 PolarHBondContact O-N 3.42Å; L155-T159 HydrophobicContact CD1-CG2 3.77Å; L155-T159 WeakPolarHBondContact O-CB 3.33Å; L155-T159 PolarHBondContact O-N 3.07Å; L155-T159 PolarHBondContact O-OG1 3.33Å; L155-S161 CarbonylContact C-O 3.55Å; L155-A163 HydrophobicContact CD2-CB 3.74Å
156A98.6Very high98.3Very high0 Ų042.5 Ų42.50%023%0.229CC..Hα-helixtrans-65.3-42.5174.400000112.3A152 M153 R154 I158 T159 G160 S161 P310 S311A152-A156 PolarHBondContact O-N 2.88Å; M153-A156 CarbonylContact O-C 3.46Å; M153-A156 WeakPolarHBondContact O-CA 3.28Å; M153-A156 WeakPolarHBondContact O-CB 3.48Å; M153-A156 PolarHBondContact O-N 3.46Å; R154-A156 VanDerWaalsContact C-N 3.31Å; A156-I158 VanDerWaalsContact C-N 3.25Å; A156-I158 PolarHBondContact O-N 3.14Å; A156-T159 PolarHBondContact O-N 2.75Å; A156-G160 WeakPolarHBondContact O-CA 3.17Å; A156-G160 PolarHBondContact O-N 2.9Å; A156-S161 VanDerWaalsContact CA-C 3.43Å; A156-S161 VanDerWaalsContact CA-O 3.28Å; A156-S161 WeakPolarHBondContact CA-O 3.49Å; A156-S161 PolarHBondContact N-O 2.92Å; A156-P310 HydrophobicContact CB-CB 4.1Å; A156-P310 WeakPolarHBondContact O-CB 3.34Å; A156-P310 WeakPolarHBondContact O-CG 3.44Å; A156-S311 WeakPolarHBondContact CB-O 3.47Å
157D98.5Very high98.3Very high64 Ų6441.7 Ų41.734%0.34223%0.225SC..Hα-helixtrans-58.6-37.9176.8-70.2-31.3000112.6M153 R154M153-D157 PolarHBondContact O-N 3.12Å; R154-D157 PolarHBondContact O-N 3.46Å
158I98.6Very high98.3Very high10 Ų1034 Ų345%0.05119%0.19CC..Hα-helixtrans-76.4-54.6178.4-63.7165.4000110.4R154 L155 A156 D219 I220R154-I158 HydrophobicContact CG-CD1 4.35Å; R154-I158 WeakPolarHBondContact O-CG1 2.93Å; R154-I158 PolarHBondContact O-N 3.37Å; L155-I158 PolarHBondContact O-N 3.42Å; A156-I158 VanDerWaalsContact C-N 3.25Å; A156-I158 PolarHBondContact O-N 3.14Å; I158-D219 HydrophobicContact CG2-CB 4.19Å; I158-D219 WeakPolarHBondContact O-CA 3.38Å; I158-I220 PolarHBondContact O-N 2.97Å
159T98.8Very high98.3Very high0 Ų031.4 Ų31.40%017%0.168CC..Hα-helixtrans-103.8-1.4-163.5710000114.5L155 A156 S161 N216 L218L155-T159 HydrophobicContact CD1-CG2 3.77Å; L155-T159 WeakPolarHBondContact O-CB 3.33Å; L155-T159 PolarHBondContact O-N 3.07Å; L155-T159 PolarHBondContact O-OG1 3.33Å; A156-T159 PolarHBondContact O-N 2.75Å; T159-S161 PolarHBondContact O-N 3.05Å; T159-S161 PolarHBondContact OG1-O 2.96Å; T159-N216 PolarHBondContact OG1-ND2 2.87Å; T159-L218 WeakPolarHBondContact CA-O 3.5Å
160G98.4Very high98.4Very high1 Ų131.1 Ų31.11%0.0117%0.165CC..SBendtrans76.72.1-174.600000114.9A156 V316A156-G160 WeakPolarHBondContact O-CA 3.17Å; A156-G160 PolarHBondContact O-N 2.9Å; G160-V316 WeakPolarHBondContact CA-O 3.47Å; G160-V316 PolarHBondContact O-N 3.23Å
161S98.6Very high98.4Very high0 Ų028.2 Ų28.20%013%0.134CC..SBendtrans-153147.7177.4-69.40000111.3L155 A156 T159 N216 H315L155-S161 CarbonylContact C-O 3.55Å; A156-S161 VanDerWaalsContact CA-C 3.43Å; A156-S161 VanDerWaalsContact CA-O 3.28Å; A156-S161 WeakPolarHBondContact CA-O 3.49Å; A156-S161 PolarHBondContact N-O 2.92Å; T159-S161 PolarHBondContact O-N 3.05Å; T159-S161 PolarHBondContact OG1-O 2.96Å; S161-N216 PolarHBondContact O-ND2 2.87Å; S161-N216 VanDerWaalsContact O-ND2 3.16Å; S161-H315 WeakPolarHBondContact OG-CA 3.38Å; S161-H315 WeakPolarHBondContact OG-CB 3.34Å; S161-H315 PolarHBondContact OG-ND1 3.34Å
162R98.3Very high98.4Very high82 Ų8226.9 Ų26.931%0.30912%0.121SC..  trans-60.9176.5158.564166.3-76.5163-3.2110.3A152 Y164 N216 L312A152-R162 HydrophobicContact CB-CB 4.11Å; R162-Y164 HydrophobicContact CG-CD2 4.08Å; R162-Y164 HydrophobicContact CG-CE2 3.41Å; R162-Y164 VanDerWaalsContact CG-CE2 3.41Å; R162-Y164 WeakPolarHBondContact O-CD2 3.41Å; R162-Y164 PolarHBondContact O-N 2.87Å; R162-N216 PolarHBondContact O-ND2 2.9Å; R162-L312 HydrophobicContact CB-CD2 4.47Å; R162-L312 WeakPolarHBondContact CD-O 3.43Å
163A98.4Very high98.4Very high2 Ų226.1 Ų26.12%0.01711%0.114CC..  trans-71.1132.8175.200000110.3C142 Q146 L155 N216C142-A163 HydrophobicContact CB-CB 3.54Å; C142-A163 WeakPolarHBondContact O-CB 3.42Å; Q146-A163 HydrophobicContact CG-CB 3.59Å; L155-A163 HydrophobicContact CD2-CB 3.74Å; A163-N216 WeakPolarHBondContact CA-OD1 3.34Å
164Y97.4Very high98.4Very high31 Ų3123.6 Ų23.612%0.12210%0.101CC..  trans-127.4143172.7-72.6-86.9000109.4R162 R166 F167 N170 L312 H315R162-Y164 HydrophobicContact CG-CD2 4.08Å; R162-Y164 HydrophobicContact CG-CE2 3.41Å; R162-Y164 VanDerWaalsContact CG-CE2 3.41Å; R162-Y164 WeakPolarHBondContact O-CD2 3.41Å; R162-Y164 PolarHBondContact O-N 2.87Å; Y164-R166 VanDerWaalsContact C-N 3.3Å; Y164-R166 PolarHBondContact O-N 3.44Å; Y164-F167 HydrophobicContact CD2-CE1 4.21Å; Y164-F167 HydrophobicContact CD2-CZ 4.36Å; Y164-F167 HydrophobicContact CG-CD1 4.42Å; Y164-F167 HydrophobicContact CG-CE1 4.34Å; Y164-F167 WeakPolarHBondContact O-CB 3.35Å; Y164-F167 PolarHBondContact O-N 2.91Å; Y164-N170 PolarHBondContact O-ND2 2.79Å; Y164-L312 PolarHBondContact OH-O 2.84Å; Y164-H315 AromaticContact CD2-CE1 3.54Å; Y164-H315 AromaticContact CD2-ND1 3.93Å; Y164-H315 AromaticContact CE2-CE1 3.3Å; Y164-H315 WeakPolarHBondContact CE2-CE1 3.38Å; Y164-H315 AromaticContact CE2-ND1 3.64Å; Y164-H315 AromaticContact CZ-CE1 3.55Å
165E97.7Very high98.4Very high70 Ų7017.3 Ų17.333%0.3278%0.078SC..THydrogen-bonded Turntrans-59.4-42-170.1-65.780.5178.800112.1S138 C142 F167 Q171S138-E165 VanDerWaalsContact OG-CA 3.23Å; S138-E165 WeakPolarHBondContact OG-CA 3.46Å; S138-E165 PolarHBondContact OG-O 3.26Å; C142-E165 VanDerWaalsContact SG-CA 3.56Å; C142-E165 PolarHBondContact SG-N 3.17Å; E165-F167 PolarHBondContact O-N 3.01Å; E165-Q171 PolarHBondContact O-NE2 2.88Å
166R96.8Very high98.4Very high54 Ų5421.5 Ų21.520%0.2049%0.093CC..THydrogen-bonded Turntrans-67.5-21.6178.671.6-175.5-178.3-84.90.7114.1H95 W133 D135 Y164 H315H95-R166 HydrophobicContact CB-CG 4.49Å; H95-R166 WeakPolarHBondContact CB-O 3.46Å; H95-R166 PolarHBondContact CD2-NE 3.14Å; H95-R166 PolarHBondContact NE2-NE 3.35Å; H95-R166 VanDerWaalsContact NE2-NE 3.19Å; W133-R166 WeakPolarHBondContact O-CB 3.47Å; W133-R166 WeakPolarHBondContact O-CD 3.43Å; D135-R166 WeakPolarHBondContact O-CA 3.13Å; D135-R166 PolarHBondContact O-N 3.32Å; Y164-R166 VanDerWaalsContact C-N 3.3Å; Y164-R166 PolarHBondContact O-N 3.44Å; R166-H315 PolarHBondContact NH2-CE1 3.38Å; R166-H315 PolarHBondContact NH2-NE2 3.4Å
167F98.6Very high98.4Very high0 Ų026.1 Ų26.10%012%0.115CC..SBendtrans-66138-173.6-84.542.9000110.8H95 Y164 E165 G169 N170 Q171 G214 N216 H315 F317H95-F167 AromaticContact CE1-CD1 3.78Å; H95-F167 AromaticContact CE1-CE1 3.39Å; H95-F167 WeakPolarHBondContact CE1-CE1 3.22Å; H95-F167 AromaticContact CE1-CZ 3.88Å; H95-F167 AromaticContact ND1-CD1 3.76Å; H95-F167 AromaticContact ND1-CE1 3.84Å; H95-F167 AromaticContact NE2-CE1 3.99Å; Y164-F167 HydrophobicContact CD2-CE1 4.21Å; Y164-F167 HydrophobicContact CD2-CZ 4.36Å; Y164-F167 HydrophobicContact CG-CD1 4.42Å; Y164-F167 HydrophobicContact CG-CE1 4.34Å; Y164-F167 WeakPolarHBondContact O-CB 3.35Å; Y164-F167 PolarHBondContact O-N 2.91Å; E165-F167 PolarHBondContact O-N 3.01Å; F167-G169 VanDerWaalsContact C-N 3.34Å; F167-G169 PolarHBondContact O-N 2.93Å; F167-N170 WeakPolarHBondContact O-CB 3.35Å; F167-N170 PolarHBondContact O-N 3.31Å; F167-Q171 PolarHBondContact O-N 3.42Å; F167-G214 VanDerWaalsContact CD2-C 3.48Å; F167-G214 WeakPolarHBondContact CD2-O 3.42Å; F167-G214 WeakPolarHBondContact CG-O 3.38Å; F167-N216 WeakPolarHBondContact CB-OD1 3.27Å; F167-N216 HydrophobicContact CD2-CB 4.31Å; F167-N216 VanDerWaalsContact CD2-CG 3.45Å; F167-N216 VanDerWaalsContact CD2-OD1 3.3Å; F167-N216 WeakPolarHBondContact CD2-OD1 3.44Å; F167-N216 WeakPolarHBondContact CG-OD1 3.22Å; F167-H315 AromaticContact CE1-CE1 3.95Å; F167-H315 AromaticContact CE1-ND1 3.95Å; F167-H315 AromaticContact CZ-CE1 3.91Å; F167-H315 AromaticContact CZ-ND1 3.44Å; F167-H315 WeakPolarHBondContact CZ-ND1 3.25Å; F167-F317 HydrophobicContact CE2-CE1 4.41Å; F167-F317 HydrophobicContact CZ-CE1 4.19Å; F167-F317 HydrophobicContact CZ-CZ 4.34Å
168T98.8Very high98.4Very high0 Ų027 Ų270%012%0.123CC..Hα-helixtrans-61.2-36.8-159.8-42.60000114.1H95 A97 N170 Q171 I172 L191 M215H95-T168 WeakPolarHBondContact CA-OG1 3.35Å; H95-T168 PolarHBondContact O-OG1 2.66Å; A97-T168 HydrophobicContact CB-CG2 3.67Å; T168-N170 VanDerWaalsContact C-N 3.28Å; T168-N170 PolarHBondContact O-N 3.04Å; T168-Q171 PolarHBondContact O-N 3.4Å; T168-I172 HydrophobicContact CG2-CD1 3.92Å; T168-I172 HydrophobicContact CG2-CG1 4.25Å; T168-I172 VanDerWaalsContact O-CG1 3.25Å; T168-I172 WeakPolarHBondContact O-CG1 3.29Å; T168-I172 PolarHBondContact O-N 2.78Å; T168-L191 HydrophobicContact CG2-CD2 3.82Å; T168-L191 VanDerWaalsContact OG1-CD2 3.25Å; T168-L191 WeakPolarHBondContact OG1-CD2 3.22Å; T168-M215 HydrophobicContact CG2-CE 3.86Å
169G98.8Very high98.3Very high0 Ų030.2 Ų30.20%013%0.134CC..Hα-helixtrans-57.2-42176.700000112.4F167 Q171 I172 S173 M215 T233F167-G169 VanDerWaalsContact C-N 3.34Å; F167-G169 PolarHBondContact O-N 2.93Å; G169-Q171 PolarHBondContact O-N 3.14Å; G169-I172 PolarHBondContact O-N 2.9Å; G169-S173 WeakPolarHBondContact O-CB 3.42Å; G169-S173 PolarHBondContact O-N 3.05Å; G169-M215 WeakPolarHBondContact CA-O 3.01Å; G169-M215 PolarHBondContact N-O 2.82Å; G169-T233 WeakPolarHBondContact O-CG2 3.5Å
170N98.8Very high98.3Very high1 Ų133 Ų331%0.00515%0.152CC..Hα-helixtrans-68.4-39179.9-54.4-50.3000111.3S138 Q141 C142 L145 Y164 F167 T168 S173 K174 N216S138-N170 WeakPolarHBondContact OG-CB 3.22Å; Q141-N170 HydrophobicContact CB-CB 4.18Å; C142-N170 PolarHBondContact SG-ND2 3.01Å; C142-N170 VanDerWaalsContact SG-ND2 3.41Å; L145-N170 WeakPolarHBondContact CD2-OD1 3.36Å; Y164-N170 PolarHBondContact O-ND2 2.79Å; F167-N170 WeakPolarHBondContact O-CB 3.35Å; F167-N170 PolarHBondContact O-N 3.31Å; T168-N170 VanDerWaalsContact C-N 3.28Å; T168-N170 PolarHBondContact O-N 3.04Å; N170-S173 PolarHBondContact O-N 3.24Å; N170-K174 PolarHBondContact O-N 3.27Å; N170-N216 PolarHBondContact ND2-OD1 2.8Å
171Q98.8Very high98.3Very high4 Ų438.9 Ų38.92%0.01918%0.183CC..Hα-helixtrans-67.6-40175.3-65.3-63.7-31.700112.5P131 D135 S138 E165 F167 T168 G169 S173 K174 V175P131-Q171 HydrophobicContact CB-CB 4.3Å; P131-Q171 HydrophobicContact CB-CG 4.15Å; P131-Q171 HydrophobicContact CG-CB 4Å; P131-Q171 HydrophobicContact CG-CG 4.37Å; D135-Q171 PolarHBondContact OD1-NE2 3.13Å; S138-Q171 PolarHBondContact OG-NE2 3.49Å; E165-Q171 PolarHBondContact O-NE2 2.88Å; F167-Q171 PolarHBondContact O-N 3.42Å; T168-Q171 PolarHBondContact O-N 3.4Å; G169-Q171 PolarHBondContact O-N 3.14Å; Q171-S173 VanDerWaalsContact C-N 3.34Å; Q171-K174 PolarHBondContact O-N 2.97Å; Q171-V175 WeakPolarHBondContact O-CG2 3.31Å; Q171-V175 PolarHBondContact O-N 2.59Å
172I98.9Very high98.3Very high0 Ų042.3 Ų42.30%020%0.2CC..Hα-helixtrans-61.6-45.6173-69.2166.5000110.1F99 T168 G169 K174 V175 R176 F183 I189 L217 T233 L237F99-I172 HydrophobicContact CE1-CG1 4.18Å; F99-I172 HydrophobicContact CZ-CG1 4.15Å; T168-I172 HydrophobicContact CG2-CD1 3.92Å; T168-I172 HydrophobicContact CG2-CG1 4.25Å; T168-I172 VanDerWaalsContact O-CG1 3.25Å; T168-I172 WeakPolarHBondContact O-CG1 3.29Å; T168-I172 PolarHBondContact O-N 2.78Å; G169-I172 PolarHBondContact O-N 2.9Å; I172-K174 VanDerWaalsContact C-N 3.32Å; I172-K174 PolarHBondContact O-N 2.99Å; I172-V175 PolarHBondContact O-N 2.82Å; I172-R176 WeakPolarHBondContact O-CB 3.49Å; I172-R176 PolarHBondContact O-N 3.31Å; I172-F183 HydrophobicContact CG2-CE2 3.83Å; I172-F183 HydrophobicContact CG2-CZ 4.49Å; I172-I189 HydrophobicContact CD1-CD1 4.17Å; I172-I189 HydrophobicContact CD1-CG2 3.99Å; I172-I189 HydrophobicContact CG1-CD1 4.22Å; I172-I189 HydrophobicContact CG1-CG2 4.36Å; I172-I189 HydrophobicContact CG2-CD1 4.14Å; I172-L217 HydrophobicContact CD1-CD1 4.42Å; I172-T233 HydrophobicContact CB-CG2 3.99Å; I172-T233 HydrophobicContact CG2-CG2 3.76Å; I172-L237 HydrophobicContact CD1-CD1 4.28Å; I172-L237 HydrophobicContact CG2-CD1 4.02Å
173S98.7Very high98.3Very high7 Ų739.3 Ų39.35%0.04919%0.189CC..Hα-helixtrans-60.3-42.4177.2-1690000111.2G169 N170 Q171 R176 Q177G169-S173 WeakPolarHBondContact O-CB 3.42Å; G169-S173 PolarHBondContact O-N 3.05Å; N170-S173 PolarHBondContact O-N 3.24Å; Q171-S173 VanDerWaalsContact C-N 3.34Å; S173-R176 PolarHBondContact O-N 3.26Å; S173-Q177 VanDerWaalsContact O-CG 3.25Å; S173-Q177 WeakPolarHBondContact O-CG 3.26Å; S173-Q177 PolarHBondContact O-N 2.98Å; S173-Q177 VanDerWaalsContact O-N 3.07Å; S173-Q177 PolarHBondContact OG-NE2 2.77Å
174K98.7Very high98.2Very high32 Ų3246.3 Ų46.314%0.13922%0.221CC..Hα-helixtrans-61.7-47.8175.1-175.7-174.1173-168.50111.8T56 S137 Q141 N170 Q171 I172 R176 Q177 T178T56-K174 PolarHBondContact OG1-NZ 3.29Å; S137-K174 PolarHBondContact OG-NZ 3.37Å; Q141-K174 HydrophobicContact CG-CB 4.3Å; N170-K174 PolarHBondContact O-N 3.27Å; Q171-K174 PolarHBondContact O-N 2.97Å; I172-K174 VanDerWaalsContact C-N 3.32Å; I172-K174 PolarHBondContact O-N 2.99Å; K174-R176 PolarHBondContact O-N 3.38Å; K174-Q177 PolarHBondContact O-N 3.06Å; K174-T178 HydrophobicContact CG-CG2 4.22Å; K174-T178 WeakPolarHBondContact O-CB 3.2Å; K174-T178 WeakPolarHBondContact O-CG2 3.36Å; K174-T178 PolarHBondContact O-N 2.96Å; K174-T178 PolarHBondContact O-OG1 2.86Å
175V98.5Very high98.3Very high6 Ų647.4 Ų47.44%0.03623%0.229CC..Hα-helixtrans-60.6-44.9177.9169.80000110.9F99 V127 Q171 I172 Q177 T178 R179 F183F99-V175 HydrophobicContact CD1-CG1 4.35Å; F99-V175 HydrophobicContact CE1-CB 4.17Å; F99-V175 HydrophobicContact CE1-CG1 3.96Å; F99-V175 HydrophobicContact CE1-CG2 4.37Å; F99-V175 HydrophobicContact CE2-CG2 4.17Å; F99-V175 HydrophobicContact CZ-CB 4.06Å; F99-V175 HydrophobicContact CZ-CG1 4.19Å; F99-V175 HydrophobicContact CZ-CG2 3.78Å; V127-V175 HydrophobicContact CG2-CG1 3.84Å; Q171-V175 WeakPolarHBondContact O-CG2 3.31Å; Q171-V175 PolarHBondContact O-N 2.59Å; I172-V175 PolarHBondContact O-N 2.82Å; V175-Q177 VanDerWaalsContact C-N 3.28Å; V175-Q177 PolarHBondContact O-N 3.23Å; V175-T178 PolarHBondContact O-N 3.12Å; V175-R179 HydrophobicContact CG1-CB 4.47Å; V175-R179 CarbonylContact O-C 3.31Å; V175-R179 VanDerWaalsContact O-C 3.29Å; V175-R179 WeakPolarHBondContact O-CA 3.33Å; V175-R179 PolarHBondContact O-N 3.09Å; V175-F183 HydrophobicContact CG1-CB 4.39Å; V175-F183 HydrophobicContact CG1-CD2 4.47Å
176R98.2Very high98.3Very high88 Ų8844.3 Ų44.333%0.33222%0.215SC..Hα-helixtrans-56.9-41.9176179.2-177.568.286.9-3.7112.4I172 S173 K174 F183 T233I172-R176 WeakPolarHBondContact O-CB 3.49Å; I172-R176 PolarHBondContact O-N 3.31Å; S173-R176 PolarHBondContact O-N 3.26Å; K174-R176 PolarHBondContact O-N 3.38Å; R176-F183 HydrophobicContact CB-CD1 4.04Å; R176-F183 HydrophobicContact CB-CD2 4.1Å; R176-F183 HydrophobicContact CB-CE1 4.32Å; R176-F183 HydrophobicContact CB-CE2 4.38Å; R176-F183 HydrophobicContact CB-CG 3.93Å; R176-F183 HydrophobicContact CB-CZ 4.49Å; R176-F183 HydrophobicContact CG-CD1 3.83Å; R176-F183 HydrophobicContact CG-CE1 4.04Å; R176-F183 HydrophobicContact CG-CG 4.23Å; R176-T233 PolarHBondContact NE-O 2.94Å; R176-T233 PolarHBondContact NH2-O 3.25Å
177Q98.3Very high98.4Very high96 Ų9643.7 Ų43.745%0.44921%0.214SC..Hα-helixtrans-77.8-38.5-176.8-69.6171.16.200112.9S173 K174 V175S173-Q177 VanDerWaalsContact O-CG 3.25Å; S173-Q177 WeakPolarHBondContact O-CG 3.26Å; S173-Q177 PolarHBondContact O-N 2.98Å; S173-Q177 VanDerWaalsContact O-N 3.07Å; S173-Q177 PolarHBondContact OG-NE2 2.77Å; K174-Q177 PolarHBondContact O-N 3.06Å; V175-Q177 VanDerWaalsContact C-N 3.28Å; V175-Q177 PolarHBondContact O-N 3.23Å
178T97.9Very high98.4Very high84 Ų8445 Ų4552%0.51522%0.219SC..Hα-helixtrans-97.7-23-171.6590000113.7K174 V175K174-T178 HydrophobicContact CG-CG2 4.22Å; K174-T178 WeakPolarHBondContact O-CB 3.2Å; K174-T178 WeakPolarHBondContact O-CG2 3.36Å; K174-T178 PolarHBondContact O-N 2.96Å; K174-T178 PolarHBondContact O-OG1 2.86Å; V175-T178 PolarHBondContact O-N 3.12Å
179R97.7Very high98.5Very high77 Ų7745 Ų4529%0.29122%0.219SC..  trans-13658-177.8-55.6-179.3-168.4155.20.1110.2V175 D181 Q182 F183V175-R179 HydrophobicContact CG1-CB 4.47Å; V175-R179 CarbonylContact O-C 3.31Å; V175-R179 VanDerWaalsContact O-C 3.29Å; V175-R179 WeakPolarHBondContact O-CA 3.33Å; V175-R179 PolarHBondContact O-N 3.09Å; R179-D181 VanDerWaalsContact C-N 3.3Å; R179-D181 PolarHBondContact O-N 3.35Å; R179-Q182 HydrophobicContact CB-CB 4.21Å; R179-Q182 HydrophobicContact CB-CG 4.36Å; R179-Q182 VanDerWaalsContact CD-OE1 3.31Å; R179-Q182 PolarHBondContact O-N 3.39Å; R179-F183 PolarHBondContact O-N 3.06Å
180P97.9Very high98.5Very high58 Ų5845 Ų4538%0.37722%0.219SC..Hα-helixtrans-58.6-38.2-171.623.6-34.6000113.1Q182 F183 Q184P180-Q182 PolarHBondContact O-N 3.13Å; P180-F183 PolarHBondContact O-N 2.95Å; P180-Q184 WeakPolarHBondContact O-CB 3.3Å; P180-Q184 VanDerWaalsContact O-CG 3.28Å; P180-Q184 WeakPolarHBondContact O-CG 3.25Å; P180-Q184 PolarHBondContact O-N 3.14Å
181D98.2Very high98.5Very high124 Ų12445 Ų4566%0.66322%0.219SC*.Hα-helixtrans-64-42179.9-58.8-19.8000111.8R179 Q184 D185R179-D181 VanDerWaalsContact C-N 3.3Å; R179-D181 PolarHBondContact O-N 3.35Å; D181-Q184 PolarHBondContact O-N 3.4Å; D181-D185 WeakPolarHBondContact O-CB 3.21Å; D181-D185 PolarHBondContact O-N 3.31Å
182Q98.1Very high98.4Very high72 Ų7245 Ų4534%0.33622%0.22SC..Hα-helixtrans-66.2-41.1175.8-63.5179.611.200110.9S126 V127 R179 P180 D185 T186S126-Q182 VanDerWaalsContact CB-O 3.22Å; S126-Q182 WeakPolarHBondContact CB-O 3.39Å; S126-Q182 WeakPolarHBondContact O-CB 3.36Å; S126-Q182 VanDerWaalsContact O-CG 3.31Å; S126-Q182 WeakPolarHBondContact O-CG 3.29Å; S126-Q182 PolarHBondContact O-OE1 2.79Å; S126-Q182 PolarHBondContact OG-O 2.8Å; V127-Q182 HydrophobicContact CG2-CB 4.09Å; R179-Q182 HydrophobicContact CB-CB 4.21Å; R179-Q182 HydrophobicContact CB-CG 4.36Å; R179-Q182 VanDerWaalsContact CD-OE1 3.31Å; R179-Q182 PolarHBondContact O-N 3.39Å; P180-Q182 PolarHBondContact O-N 3.13Å; Q182-D185 PolarHBondContact O-N 3.06Å; Q182-T186 PolarHBondContact O-N 3.41Å; Q182-T186 PolarHBondContact O-OG1 3.1Å
183F98.4Very high98.4Very high20 Ų2045.1 Ų45.19%0.08822%0.22CC..Hα-helixtrans-64.4-41.3176-174.1-97.4000112I172 V175 R176 R179 P180 D185 T186 I189 A234 L240I172-F183 HydrophobicContact CG2-CE2 3.83Å; I172-F183 HydrophobicContact CG2-CZ 4.49Å; V175-F183 HydrophobicContact CG1-CB 4.39Å; V175-F183 HydrophobicContact CG1-CD2 4.47Å; R176-F183 HydrophobicContact CB-CD1 4.04Å; R176-F183 HydrophobicContact CB-CD2 4.1Å; R176-F183 HydrophobicContact CB-CE1 4.32Å; R176-F183 HydrophobicContact CB-CE2 4.38Å; R176-F183 HydrophobicContact CB-CG 3.93Å; R176-F183 HydrophobicContact CB-CZ 4.49Å; R176-F183 HydrophobicContact CG-CD1 3.83Å; R176-F183 HydrophobicContact CG-CE1 4.04Å; R176-F183 HydrophobicContact CG-CG 4.23Å; R179-F183 PolarHBondContact O-N 3.06Å; P180-F183 PolarHBondContact O-N 2.95Å; F183-D185 VanDerWaalsContact C-N 3.32Å; F183-D185 PolarHBondContact O-N 3.23Å; F183-T186 WeakPolarHBondContact O-CB 3.25Å; F183-T186 PolarHBondContact O-N 3.04Å; F183-T186 PolarHBondContact O-OG1 2.99Å; F183-I189 HydrophobicContact CE2-CD1 4.02Å; F183-A234 HydrophobicContact CE1-CB 4.09Å; F183-A234 HydrophobicContact CE2-CB 4.41Å; F183-A234 HydrophobicContact CZ-CB 3.55Å; F183-L240 HydrophobicContact CE1-CD1 4.45Å; F183-L240 HydrophobicContact CE2-CD1 4.13Å; F183-L240 HydrophobicContact CZ-CD1 3.73Å
184Q98.1Very high98.4Very high149 Ų14944.8 Ų44.870%0.69622%0.218SC*.Hα-helixtrans-64.7-35.2176.8-74.8177.414.100112.5P180 D181 T186P180-Q184 WeakPolarHBondContact O-CB 3.3Å; P180-Q184 VanDerWaalsContact O-CG 3.28Å; P180-Q184 WeakPolarHBondContact O-CG 3.25Å; P180-Q184 PolarHBondContact O-N 3.14Å; D181-Q184 PolarHBondContact O-N 3.4Å; Q184-T186 PolarHBondContact O-N 2.97Å
185D98.4Very high98.4Very high54 Ų5443.5 Ų43.529%0.28921%0.213SC..THydrogen-bonded Turntrans-75.83.5173.7-170.429.4000113.1R101 T102 D181 Q182 F183R101-D185 CarbonylContact C-O 3.58Å; R101-D185 WeakPolarHBondContact CA-O 3.39Å; R101-D185 WeakPolarHBondContact CD-OD2 3.27Å; R101-D185 VanDerWaalsContact CG-OD2 3.27Å; R101-D185 WeakPolarHBondContact CG-OD2 3.42Å; R101-D185 IonicContact CZ-OD2 3.75Å; R101-D185 IonicContact NE-OD2 3.56Å; R101-D185 PolarHBondContact NE-OD2 3.38Å; T102-D185 PolarHBondContact N-O 3.47Å; T102-D185 PolarHBondContact OG1-O 3.26Å; T102-D185 VanDerWaalsContact OG1-O 3.05Å; T102-D185 PolarHBondContact OG1-OD1 3.39Å; D181-D185 WeakPolarHBondContact O-CB 3.21Å; D181-D185 PolarHBondContact O-N 3.31Å; Q182-D185 PolarHBondContact O-N 3.06Å; F183-D185 VanDerWaalsContact C-N 3.32Å; F183-D185 PolarHBondContact O-N 3.23Å
186T98.8Very high98.4Very high5 Ų543.9 Ų43.93%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-89.5124.7-179.9-56.30000111.5F99 W100 S126 Q182 F183 Q184 R188 I189 L240F99-T186 HydrophobicContact CB-CG2 4.04Å; F99-T186 HydrophobicContact CD1-CG2 4.24Å; W100-T186 CarbonylContact O-C 3.55Å; W100-T186 VanDerWaalsContact O-CA 3.31Å; W100-T186 WeakPolarHBondContact O-CA 3.19Å; S126-T186 PolarHBondContact OG-OG1 2.93Å; Q182-T186 PolarHBondContact O-N 3.41Å; Q182-T186 PolarHBondContact O-OG1 3.1Å; F183-T186 WeakPolarHBondContact O-CB 3.25Å; F183-T186 PolarHBondContact O-N 3.04Å; F183-T186 PolarHBondContact O-OG1 2.99Å; Q184-T186 PolarHBondContact O-N 2.97Å; T186-R188 VanDerWaalsContact CG2-O 3.28Å; T186-R188 WeakPolarHBondContact CG2-O 3.4Å; T186-I189 HydrophobicContact CG2-CD1 4.45Å; T186-I189 HydrophobicContact CG2-CG1 3.74Å; T186-L240 VanDerWaalsContact O-CD2 3.29Å; T186-L240 WeakPolarHBondContact O-CD2 3.22Å
187E98.6Very high98.4Very high40 Ų4039.7 Ų39.719%0.18720%0.202CC..EExtended strand (participates in β ladder)trans-100-22.5174.270.9175.4-159.400113.8W100 R101 T102 G103 A104 A105 Y204 L240W100-E187 PolarHBondContact O-N 3.31Å; R101-E187 WeakPolarHBondContact O-CG 3.34Å; T102-E187 WeakPolarHBondContact CA-OE2 3.5Å; G103-E187 VanDerWaalsContact N-CD 3.33Å; G103-E187 PolarHBondContact N-OE2 3.44Å; A104-E187 PolarHBondContact N-OE1 3.4Å; A105-E187 VanDerWaalsContact CB-OE1 3.28Å; A105-E187 WeakPolarHBondContact CB-OE1 3.4Å; A105-E187 PolarHBondContact N-OE1 2.87Å; E187-Y204 HydrophobicContact CG-CE2 4.42Å; E187-Y204 PolarHBondContact OE1-OH 2.94Å; E187-L240 WeakPolarHBondContact O-CD2 3.45Å
188R98.9Very high98.5Very high28 Ų2835.1 Ų35.111%0.10618%0.181CC..EExtended strand (participates in β ladder)trans-147.7141.5-178.6-177.582.1177.9161.71.8110.3W100 T186 Y204 A205 L240 L241W100-R188 HydrophobicContact CB-CB 3.96Å; W100-R188 HydrophobicContact CG-CB 4.14Å; W100-R188 HydrophobicContact CG-CG 4.47Å; W100-R188 PolarHBondContact N-O 2.95Å; T186-R188 VanDerWaalsContact CG2-O 3.28Å; T186-R188 WeakPolarHBondContact CG2-O 3.4Å; R188-Y204 HydrophobicContact CB-CD1 4.26Å; R188-Y204 HydrophobicContact CB-CD2 3.95Å; R188-Y204 HydrophobicContact CB-CE1 3.95Å; R188-Y204 HydrophobicContact CB-CE2 3.57Å; R188-Y204 HydrophobicContact CB-CG 4.28Å; R188-Y204 HydrophobicContact CG-CD1 3.72Å; R188-Y204 HydrophobicContact CG-CD2 3.75Å; R188-Y204 HydrophobicContact CG-CE1 3.9Å; R188-Y204 HydrophobicContact CG-CE2 3.9Å; R188-Y204 HydrophobicContact CG-CG 3.66Å; R188-A205 PolarHBondContact NH2-O 2.56Å; R188-L240 WeakPolarHBondContact CA-O 3.45Å; R188-L240 WeakPolarHBondContact CD-O 3.42Å; R188-L241 PolarHBondContact NH1-O 3.02Å; R188-L241 PolarHBondContact NH2-O 2.7Å
189I98.9Very high98.5Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-116.8134.6169.1-61.1169.2000108.3A97 V98 F99 I172 F183 T186 L237 L240 L241A97-I189 HydrophobicContact CB-CG2 4.34Å; V98-I189 WeakPolarHBondContact O-CA 3.24Å; F99-I189 HydrophobicContact CD1-CD1 4.01Å; F99-I189 HydrophobicContact CD1-CG1 3.86Å; F99-I189 HydrophobicContact CE1-CD1 3.93Å; F99-I189 HydrophobicContact CE1-CG1 4.19Å; I172-I189 HydrophobicContact CD1-CD1 4.17Å; I172-I189 HydrophobicContact CD1-CG2 3.99Å; I172-I189 HydrophobicContact CG1-CD1 4.22Å; I172-I189 HydrophobicContact CG1-CG2 4.36Å; I172-I189 HydrophobicContact CG2-CD1 4.14Å; F183-I189 HydrophobicContact CE2-CD1 4.02Å; T186-I189 HydrophobicContact CG2-CD1 4.45Å; T186-I189 HydrophobicContact CG2-CG1 3.74Å; I189-L237 HydrophobicContact CD1-CD1 3.99Å; I189-L240 HydrophobicContact CD1-CB 4.13Å; I189-L240 HydrophobicContact CD1-CD1 3.93Å; I189-L240 HydrophobicContact CG1-CB 4.21Å; I189-L240 PolarHBondContact N-O 2.81Å; I189-L241 HydrophobicContact CB-CD2 4.17Å; I189-L241 HydrophobicContact CG2-CD2 4.3Å
190S98.9Very high98.5Very high0 Ų027.8 Ų27.80%014%0.144CC..EExtended strand (participates in β ladder)trans-126.3150.7178.4-59.40000110.3A97 V98 W100 S194A97-S190 CarbonylContact C-O 3.55Å; A97-S190 VanDerWaalsContact CA-O 3.32Å; A97-S190 WeakPolarHBondContact CA-O 3.3Å; V98-S190 PolarHBondContact N-O 2.92Å; V98-S190 PolarHBondContact O-N 3.26Å; W100-S190 PolarHBondContact NE1-OG 3.4Å; S190-S194 WeakPolarHBondContact CB-OG 3.39Å
191L98.9Very high98.6Very high1 Ų125.5 Ų25.51%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-74.4163.1159.5-68.7178000108.9G96 T168 S193 S194 F195 I207 D211 M215G96-L191 VanDerWaalsContact O-CA 3.32Å; G96-L191 WeakPolarHBondContact O-CA 3.47Å; T168-L191 HydrophobicContact CG2-CD2 3.82Å; T168-L191 VanDerWaalsContact OG1-CD2 3.25Å; T168-L191 WeakPolarHBondContact OG1-CD2 3.22Å; L191-S193 WeakPolarHBondContact CB-OG 3.1Å; L191-S193 PolarHBondContact O-N 2.55Å; L191-S193 VanDerWaalsContact O-N 3.17Å; L191-S194 PolarHBondContact N-OG 2.81Å; L191-S194 VanDerWaalsContact N-OG 3.1Å; L191-S194 PolarHBondContact O-N 2.91Å; L191-S194 PolarHBondContact O-OG 2.78Å; L191-F195 WeakPolarHBondContact O-CB 3.43Å; L191-F195 PolarHBondContact O-N 2.79Å; L191-I207 HydrophobicContact CD1-CG2 3.82Å; L191-I207 HydrophobicContact CG-CD1 4.47Å; L191-I207 HydrophobicContact CG-CG2 4.47Å; L191-D211 HydrophobicContact CD1-CB 3.81Å; L191-D211 WeakPolarHBondContact CD1-O 3.34Å; L191-D211 WeakPolarHBondContact CD1-OD2 3.32Å; L191-M215 HydrophobicContact CD1-CG 4.14Å; L191-M215 HydrophobicContact CD1-SD 3.98Å; L191-M215 HydrophobicContact CD2-CE 4.15Å; L191-M215 HydrophobicContact CD2-CG 4.19Å; L191-M215 HydrophobicContact CD2-SD 4.34Å; L191-M215 HydrophobicContact CG-CE 4.33Å; L191-M215 HydrophobicContact CG-SD 4.24Å
192V98.4Very high98.6Very high5 Ų520 Ų203%0.0310%0.1CC..Hα-helixtrans-55.1-35.2175.4-178.60000111.3V8 W64 Q93 G96 G196V8-V192 HydrophobicContact CB-CG1 4.42Å; V8-V192 HydrophobicContact CG2-CG1 4.34Å; W64-V192 HydrophobicContact CH2-CG2 3.84Å; W64-V192 HydrophobicContact CZ2-CG2 4.48Å; W64-V192 HydrophobicContact CZ3-CG2 4.02Å; Q93-V192 HydrophobicContact CG-CB 4.3Å; Q93-V192 HydrophobicContact CG-CG1 4.23Å; Q93-V192 HydrophobicContact CG-CG2 3.98Å; G96-V192 PolarHBondContact O-N 3.43Å; G96-V192 VanDerWaalsContact O-N 3.16Å; V192-G196 PolarHBondContact O-N 3.08Å
193S98.4Very high98.6Very high1 Ų122 Ų221%0.00711%0.105CC..Hα-helixtrans-60.5-60.3174.555.30000112.4L191 F195 G196 A197 D211 F273 T274L191-S193 WeakPolarHBondContact CB-OG 3.1Å; L191-S193 PolarHBondContact O-N 2.55Å; L191-S193 VanDerWaalsContact O-N 3.17Å; S193-F195 VanDerWaalsContact C-N 3.3Å; S193-F195 PolarHBondContact O-N 3.45Å; S193-G196 PolarHBondContact O-N 2.87Å; S193-G196 VanDerWaalsContact O-N 3.14Å; S193-A197 PolarHBondContact O-N 2.96Å; S193-D211 VanDerWaalsContact CB-OD2 3.24Å; S193-D211 WeakPolarHBondContact CB-OD2 3.28Å; S193-D211 PolarHBondContact OG-OD2 3.12Å; S193-F273 VanDerWaalsContact O-CB 3.23Å; S193-F273 WeakPolarHBondContact O-CB 3.38Å; S193-F273 WeakPolarHBondContact O-CD2 3.27Å; S193-T274 WeakPolarHBondContact CB-O 3.48Å
194S98.8Very high98.6Very high1 Ų123 Ų231%0.00711%0.108CC..Hα-helixtrans-69.6-26.3-179.663.10000113.1S190 L191 S198 A205 A206 I207S190-S194 WeakPolarHBondContact CB-OG 3.39Å; L191-S194 PolarHBondContact N-OG 2.81Å; L191-S194 VanDerWaalsContact N-OG 3.1Å; L191-S194 PolarHBondContact O-N 2.91Å; L191-S194 PolarHBondContact O-OG 2.78Å; S194-S198 WeakPolarHBondContact O-CB 3.35Å; S194-S198 PolarHBondContact O-N 3.47Å; S194-S198 PolarHBondContact O-OG 2.86Å; S194-A205 WeakPolarHBondContact O-CB 3.44Å; S194-A206 WeakPolarHBondContact CB-O 3.43Å; S194-I207 WeakPolarHBondContact OG-CG1 3.44Å
195F98.8Very high98.6Very high5 Ų515.9 Ų15.92%0.0228%0.076CC..Hα-helixtrans-60.3-51.3167165-103.3000110.8V61 W64 V65 V98 W100 F125 L191 S193 A197 S198 L199V61-F195 HydrophobicContact CG1-CE1 4.46Å; V61-F195 HydrophobicContact CG1-CE2 3.87Å; V61-F195 HydrophobicContact CG1-CZ 3.73Å; W64-F195 HydrophobicContact CB-CE1 4.13Å; W64-F195 HydrophobicContact CE3-CD1 4.43Å; W64-F195 HydrophobicContact CE3-CE1 4.11Å; V65-F195 HydrophobicContact CG2-CE2 4.47Å; V65-F195 HydrophobicContact CG2-CZ 3.72Å; V98-F195 HydrophobicContact CB-CB 4.28Å; V98-F195 HydrophobicContact CB-CD2 4.04Å; V98-F195 HydrophobicContact CB-CG 4.26Å; V98-F195 HydrophobicContact CG1-CD2 3.72Å; V98-F195 HydrophobicContact CG1-CE2 4.08Å; V98-F195 HydrophobicContact CG1-CG 4.41Å; V98-F195 HydrophobicContact CG2-CB 3.98Å; V98-F195 HydrophobicContact CG2-CD1 4.2Å; V98-F195 HydrophobicContact CG2-CD2 3.88Å; V98-F195 HydrophobicContact CG2-CE2 4.45Å; V98-F195 HydrophobicContact CG2-CG 3.75Å; W100-F195 AromaticContact CE2-CD2 3.96Å; W100-F195 AromaticContact CH2-CD2 3.82Å; W100-F195 HydrophobicContact CH2-CD2 3.82Å; W100-F195 AromaticContact CH2-CE2 3.73Å; W100-F195 HydrophobicContact CH2-CE2 3.73Å; W100-F195 AromaticContact CZ2-CD2 3.31Å; W100-F195 HydrophobicContact CZ2-CD2 3.31Å; W100-F195 AromaticContact CZ2-CE2 3.73Å; W100-F195 HydrophobicContact CZ2-CE2 3.73Å; W100-F195 HydrophobicContact CZ2-CG 4.44Å; F125-F195 HydrophobicContact CE1-CD2 4.43Å; F125-F195 AromaticContact CE1-CE2 3.7Å; F125-F195 HydrophobicContact CE1-CE2 3.7Å; F125-F195 AromaticContact CZ-CE2 3.81Å; F125-F195 HydrophobicContact CZ-CE2 3.81Å; F125-F195 HydrophobicContact CZ-CZ 4.31Å; L191-F195 WeakPolarHBondContact O-CB 3.43Å; L191-F195 PolarHBondContact O-N 2.79Å; S193-F195 VanDerWaalsContact C-N 3.3Å; S193-F195 PolarHBondContact O-N 3.45Å; F195-A197 PolarHBondContact O-N 3.37Å; F195-S198 WeakPolarHBondContact O-CB 3.49Å; F195-S198 PolarHBondContact O-N 2.87Å; F195-L199 HydrophobicContact CE1-CD1 3.89Å; F195-L199 HydrophobicContact CE2-CD1 4.35Å; F195-L199 HydrophobicContact CE2-CD2 4.22Å; F195-L199 HydrophobicContact CE2-CG 4.38Å; F195-L199 HydrophobicContact CZ-CD1 3.77Å; F195-L199 HydrophobicContact CZ-CD2 4.36Å; F195-L199 HydrophobicContact CZ-CG 4.29Å; F195-L199 PolarHBondContact O-N 3.46Å
196G98.1Very high98.7Very high14 Ų1414.6 Ų14.614%0.1447%0.072CC..Hα-helixtrans-56.1-48175.700000112V192 S193 S198 L199 F200V192-G196 PolarHBondContact O-N 3.08Å; S193-G196 PolarHBondContact O-N 2.87Å; S193-G196 VanDerWaalsContact O-N 3.14Å; G196-S198 VanDerWaalsContact C-N 3.27Å; G196-S198 PolarHBondContact O-N 3.47Å; G196-L199 PolarHBondContact O-N 3.26Å; G196-F200 WeakPolarHBondContact O-CD2 3.25Å; G196-F200 PolarHBondContact O-N 2.95Å
197A98.6Very high98.7Very high0 Ų014.3 Ų14.30%07%0.071CC..Hα-helixtrans-58.7-37.4175.200000112.7S193 F195 L199 F200 L201 A205 L251 F273S193-A197 PolarHBondContact O-N 2.96Å; F195-A197 PolarHBondContact O-N 3.37Å; A197-L199 VanDerWaalsContact C-N 3.34Å; A197-L199 PolarHBondContact O-N 3.07Å; A197-F200 PolarHBondContact O-N 2.9Å; A197-L201 WeakPolarHBondContact O-CG 3.47Å; A197-L201 PolarHBondContact O-N 3.39Å; A197-A205 HydrophobicContact CB-CB 3.56Å; A197-L251 HydrophobicContact CB-CD1 4.25Å; A197-F273 HydrophobicContact CB-CB 4.1Å; A197-F273 HydrophobicContact CB-CD1 3.62Å; A197-F273 HydrophobicContact CB-CD2 4.42Å; A197-F273 HydrophobicContact CB-CE1 4.07Å; A197-F273 HydrophobicContact CB-CG 3.8Å
198S98.9Very high98.7Very high0 Ų012.5 Ų12.50%06%0.062CC..Hα-helixtrans-64-37.7-179.8-57.70000112.6S194 F195 G196 F200 L201 G202 R203 A205S194-S198 WeakPolarHBondContact O-CB 3.35Å; S194-S198 PolarHBondContact O-N 3.47Å; S194-S198 PolarHBondContact O-OG 2.86Å; F195-S198 WeakPolarHBondContact O-CB 3.49Å; F195-S198 PolarHBondContact O-N 2.87Å; G196-S198 VanDerWaalsContact C-N 3.27Å; G196-S198 PolarHBondContact O-N 3.47Å; S198-F200 VanDerWaalsContact C-N 3.28Å; S198-F200 PolarHBondContact O-N 2.89Å; S198-L201 PolarHBondContact O-N 2.91Å; S198-G202 PolarHBondContact O-N 2.95Å; S198-R203 WeakPolarHBondContact CA-O 3.38Å; S198-R203 WeakPolarHBondContact CB-O 3.35Å; S198-R203 PolarHBondContact O-N 2.7Å; S198-A205 PolarHBondContact OG-N 3.02Å
199L98.7Very high98.7Very high5 Ų513.3 Ų13.33%0.0267%0.065CC..Hα-helixtrans-63.3-35.1176-60.6-179.6000111.9V65 L68 W100 L108 L121 F195 G196 A197V65-L199 HydrophobicContact CG2-CD1 4.47Å; L68-L199 HydrophobicContact CD2-CB 3.96Å; L68-L199 HydrophobicContact CD2-CD1 3.71Å; L68-L199 HydrophobicContact CD2-CG 4.49Å; W100-L199 HydrophobicContact CH2-CD2 4.12Å; L108-L199 HydrophobicContact CD2-CD2 4.45Å; L121-L199 HydrophobicContact CD1-CD2 3.53Å; F195-L199 HydrophobicContact CE1-CD1 3.89Å; F195-L199 HydrophobicContact CE2-CD1 4.35Å; F195-L199 HydrophobicContact CE2-CD2 4.22Å; F195-L199 HydrophobicContact CE2-CG 4.38Å; F195-L199 HydrophobicContact CZ-CD1 3.77Å; F195-L199 HydrophobicContact CZ-CD2 4.36Å; F195-L199 HydrophobicContact CZ-CG 4.29Å; F195-L199 PolarHBondContact O-N 3.46Å; G196-L199 PolarHBondContact O-N 3.26Å; A197-L199 VanDerWaalsContact C-N 3.34Å; A197-L199 PolarHBondContact O-N 3.07Å
200F98.4Very high98.7Very high1 Ų113.3 Ų13.30%0.0047%0.065CC..Hα-helixtrans-76.1-34.7176.3-81.2-92.4000113.5L6 L68 L72 L88 G196 A197 S198 V254 S255 L258 F264 I270 F273L6-F200 HydrophobicContact CD1-CD2 4.1Å; L6-F200 HydrophobicContact CD1-CE1 4.41Å; L6-F200 HydrophobicContact CD1-CE2 3Å; L6-F200 HydrophobicContact CD1-CZ 3.21Å; L6-F200 HydrophobicContact CG-CE2 4.23Å; L6-F200 HydrophobicContact CG-CZ 4.12Å; L68-F200 HydrophobicContact CD1-CE2 3.89Å; L68-F200 HydrophobicContact CD1-CZ 3.86Å; L68-F200 HydrophobicContact CD2-CE2 3.82Å; L68-F200 HydrophobicContact CD2-CZ 4.38Å; L72-F200 HydrophobicContact CD1-CZ 4.42Å; L88-F200 HydrophobicContact CD1-CD1 3.6Å; L88-F200 HydrophobicContact CD1-CE1 3.4Å; L88-F200 VanDerWaalsContact CD1-CE1 3.4Å; L88-F200 HydrophobicContact CD1-CG 4.4Å; L88-F200 HydrophobicContact CD1-CZ 4.11Å; L88-F200 HydrophobicContact CD2-CD1 4.03Å; L88-F200 HydrophobicContact CD2-CD2 4.44Å; L88-F200 HydrophobicContact CD2-CE1 4.45Å; L88-F200 HydrophobicContact CD2-CG 4.04Å; L88-F200 HydrophobicContact CG-CD1 4.43Å; G196-F200 WeakPolarHBondContact O-CD2 3.25Å; G196-F200 PolarHBondContact O-N 2.95Å; A197-F200 PolarHBondContact O-N 2.9Å; S198-F200 VanDerWaalsContact C-N 3.28Å; S198-F200 PolarHBondContact O-N 2.89Å; F200-V254 HydrophobicContact CD1-CG2 4.46Å; F200-S255 WeakPolarHBondContact O-CB 3.37Å; F200-S255 PolarHBondContact O-N 2.92Å; F200-S255 PolarHBondContact O-OG 3.22Å; F200-L258 HydrophobicContact CB-CD1 4.22Å; F200-L258 HydrophobicContact CD1-CD1 3.34Å; F200-L258 HydrophobicContact CE1-CD1 3.72Å; F200-L258 HydrophobicContact CG-CD1 3.96Å; F200-F264 HydrophobicContact CE1-CZ 4.28Å; F200-I270 HydrophobicContact CB-CD1 3.78Å; F200-I270 HydrophobicContact CB-CG1 4.12Å; F200-I270 HydrophobicContact CB-CG2 4.47Å; F200-I270 HydrophobicContact CD1-CD1 4.34Å; F200-I270 HydrophobicContact CG-CD1 4.42Å; F200-F273 HydrophobicContact CD2-CZ 4.34Å
201L98.4Very high98.6Very high11 Ų1113.3 Ų13.36%0.0587%0.065CC..Hα-helixtrans-77.1-27.1179-74.1169.1000113.1A197 S198 R203 A205 L251 I270A197-L201 WeakPolarHBondContact O-CG 3.47Å; A197-L201 PolarHBondContact O-N 3.39Å; S198-L201 PolarHBondContact O-N 2.91Å; L201-R203 HydrophobicContact CB-CG 3.95Å; L201-A205 HydrophobicContact CD1-CB 3.86Å; L201-L251 HydrophobicContact CD1-CB 3.76Å; L201-L251 HydrophobicContact CD1-CD1 3.89Å; L201-L251 HydrophobicContact CD2-CB 4.17Å; L201-I270 HydrophobicContact CD2-CB 3.73Å; L201-I270 HydrophobicContact CD2-CG1 3.79Å; L201-I270 HydrophobicContact CD2-CG2 4.26Å; L201-I270 HydrophobicContact CG-CB 4.11Å; L201-I270 HydrophobicContact CG-CG1 4.17Å; L201-I270 HydrophobicContact CG-CG2 4.1Å
202G98.4Very high98.6Very high7 Ų713.2 Ų13.27%0.0727%0.065CC..THydrogen-bonded Turntrans68.724.7-168.300000112.5L108 T109 S198L108-G202 CarbonylContact C-O 3.52Å; L108-G202 VanDerWaalsContact O-O 3.06Å; T109-G202 PolarHBondContact N-O 2.75Å; S198-G202 PolarHBondContact O-N 2.95Å
203R98.6Very high98.7Very high114 Ų11413 Ų1343%0.436%0.064SC..SBendtrans-165.8167.9175.158.9175.1175.294-3.5109.3S198 L201 A205 L251S198-R203 WeakPolarHBondContact CA-O 3.38Å; S198-R203 WeakPolarHBondContact CB-O 3.35Å; S198-R203 PolarHBondContact O-N 2.7Å; L201-R203 HydrophobicContact CB-CG 3.95Å; R203-A205 PolarHBondContact O-N 2.83Å; R203-L251 PolarHBondContact NH2-O 2.76Å
204Y98.8Very high98.7Very high41 Ų4113 Ų1316%0.1616%0.064CC..PPolyproline II helixtrans-62.2127.8179.5-59.6-43000113.2W100 A104 A105 L108 E187 R188W100-Y204 HydrophobicContact CB-CE1 4.05Å; W100-Y204 WeakPolarHBondContact CB-OH 3.21Å; W100-Y204 AromaticContact CD1-CE1 3.83Å; W100-Y204 HydrophobicContact CD2-CD1 4.36Å; W100-Y204 AromaticContact CD2-CE1 3.52Å; W100-Y204 HydrophobicContact CD2-CE1 3.52Å; W100-Y204 AromaticContact CE2-CE1 3.72Å; W100-Y204 HydrophobicContact CE3-CE1 4.01Å; W100-Y204 HydrophobicContact CG-CD1 4.44Å; W100-Y204 AromaticContact CG-CE1 3.55Å; W100-Y204 HydrophobicContact CG-CE1 3.55Å; W100-Y204 HydrophobicContact CZ2-CD1 4.5Å; W100-Y204 HydrophobicContact CZ2-CE1 4.32Å; W100-Y204 AromaticContact NE1-CE1 3.91Å; A104-Y204 WeakPolarHBondContact CB-OH 3.24Å; A105-Y204 HydrophobicContact CB-CD2 4.37Å; A105-Y204 HydrophobicContact CB-CE2 3.63Å; A105-Y204 PolarHBondContact N-OH 3.47Å; A105-Y204 VanDerWaalsContact N-OH 3.13Å; L108-Y204 HydrophobicContact CD1-CD1 3.78Å; L108-Y204 HydrophobicContact CD1-CE1 3.57Å; E187-Y204 HydrophobicContact CG-CE2 4.42Å; E187-Y204 PolarHBondContact OE1-OH 2.94Å; R188-Y204 HydrophobicContact CB-CD1 4.26Å; R188-Y204 HydrophobicContact CB-CD2 3.95Å; R188-Y204 HydrophobicContact CB-CE1 3.95Å; R188-Y204 HydrophobicContact CB-CE2 3.57Å; R188-Y204 HydrophobicContact CB-CG 4.28Å; R188-Y204 HydrophobicContact CG-CD1 3.72Å; R188-Y204 HydrophobicContact CG-CD2 3.75Å; R188-Y204 HydrophobicContact CG-CE1 3.9Å; R188-Y204 HydrophobicContact CG-CE2 3.9Å; R188-Y204 HydrophobicContact CG-CG 3.66Å
205A98.8Very high98.7Very high1 Ų113 Ų131%0.0086%0.064CC..PPolyproline II helixtrans-81.5152.5167.900000111.1R188 S194 A197 S198 L201 R203 L251R188-A205 PolarHBondContact NH2-O 2.56Å; S194-A205 WeakPolarHBondContact O-CB 3.44Å; A197-A205 HydrophobicContact CB-CB 3.56Å; S198-A205 PolarHBondContact OG-N 3.02Å; L201-A205 HydrophobicContact CD1-CB 3.86Å; R203-A205 PolarHBondContact O-N 2.83Å; A205-L251 HydrophobicContact CB-CD1 3.74Å
206A98.8Very high98.7Very high26 Ų2612.8 Ų12.822%0.2156%0.063CC..PPolyproline II helixtrans-72.1154.9165.500000110.5S194 C245 L251S194-A206 WeakPolarHBondContact CB-O 3.43Å; A206-C245 HydrophobicContact CB-CB 4.05Å; A206-C245 VanDerWaalsContact CB-SG 3.59Å; A206-L251 HydrophobicContact CB-CD2 4.39Å
207I98.9Very high98.7Very high0 Ų012.1 Ų12.10%06%0.056CC..PPolyproline II helixtrans-81.1135.6168.6-65.4167.2000107.3L191 S194 M215 W225 L241 P244 C245L191-I207 HydrophobicContact CD1-CG2 3.82Å; L191-I207 HydrophobicContact CG-CD1 4.47Å; L191-I207 HydrophobicContact CG-CG2 4.47Å; S194-I207 WeakPolarHBondContact OG-CG1 3.44Å; I207-M215 HydrophobicContact CD1-CE 4.09Å; I207-M215 HydrophobicContact CD1-SD 4.22Å; I207-M215 HydrophobicContact CG2-SD 4.29Å; I207-W225 HydrophobicContact CB-CH2 4.33Å; I207-W225 HydrophobicContact CB-CZ2 4.38Å; I207-W225 HydrophobicContact CD1-CH2 4.29Å; I207-W225 HydrophobicContact CD1-CZ2 4.3Å; I207-W225 HydrophobicContact CG2-CH2 4.09Å; I207-L241 HydrophobicContact CD1-CD2 4.14Å; I207-P244 CarbonylContact O-C 3.55Å; I207-P244 WeakPolarHBondContact O-CA 3.35Å; I207-C245 PolarHBondContact O-N 3.39Å
208D98.8Very high98.7Very high1 Ų112.1 Ų12.11%0.0056%0.056CC..BIsolated β-bridgetrans-79.9159.3176.185.6-46.9000111.7S210 D211 G212 C245 S247 A272 T274D208-S210 VanDerWaalsContact C-N 3.27Å; D208-S210 PolarHBondContact O-N 2.97Å; D208-S210 WeakPolarHBondContact OD2-CB 3.42Å; D208-S210 PolarHBondContact OD2-N 2.92Å; D208-D211 WeakPolarHBondContact OD1-CB 3.33Å; D208-D211 PolarHBondContact OD1-N 3.43Å; D208-G212 WeakPolarHBondContact O-CA 3.32Å; D208-G212 PolarHBondContact O-N 3.1Å; D208-C245 CarbonylContact C-O 3.59Å; D208-C245 VanDerWaalsContact CA-O 3.25Å; D208-C245 WeakPolarHBondContact CA-O 3.49Å; D208-S247 WeakPolarHBondContact OD2-CB 3.03Å; D208-S247 PolarHBondContact OD2-OG 3.08Å; D208-A272 HydrophobicContact CB-CB 4.31Å; D208-T274 PolarHBondContact OD1-OG1 3.05Å; D208-T274 VanDerWaalsContact OD2-CB 3.22Å; D208-T274 WeakPolarHBondContact OD2-CB 3.43Å; D208-T274 PolarHBondContact OD2-OG1 2.86Å
209Y98.8Very high98.7Very high45 Ų4513.5 Ų13.518%0.1766%0.063CC..Hα-helixtrans-60.5-37.2180-58.9-34.5000112.8S213 L218 R223 P244 C245 P246Y209-S213 PolarHBondContact O-N 3.17Å; Y209-S213 VanDerWaalsContact O-N 3.08Å; Y209-S213 PolarHBondContact O-OG 3.19Å; Y209-L218 VanDerWaalsContact O-CD2 3.23Å; Y209-L218 WeakPolarHBondContact O-CD2 3.36Å; Y209-R223 HydrophobicContact CD1-CB 4.01Å; Y209-R223 HydrophobicContact CD2-CB 4.24Å; Y209-R223 HydrophobicContact CD2-CG 4.32Å; Y209-R223 HydrophobicContact CE1-CB 3.89Å; Y209-R223 WeakPolarHBondContact CE1-O 3.37Å; Y209-R223 HydrophobicContact CE2-CB 4.1Å; Y209-R223 HydrophobicContact CE2-CG 4.45Å; Y209-R223 HydrophobicContact CG-CB 4.21Å; Y209-R223 HydrophobicContact CG-CG 4.49Å; Y209-P244 HydrophobicContact CD1-CB 3.89Å; Y209-P244 HydrophobicContact CD1-CG 4.34Å; Y209-P244 HydrophobicContact CE1-CB 3.87Å; Y209-P244 HydrophobicContact CE1-CG 4.01Å; Y209-C245 VanDerWaalsContact CD1-O 3.3Å; Y209-C245 WeakPolarHBondContact CD1-O 3.39Å; Y209-C245 VanDerWaalsContact CE1-C 3.46Å; Y209-C245 VanDerWaalsContact CG-O 3.27Å; Y209-C245 PolarHBondContact N-O 3.24Å; Y209-P246 HydrophobicContact CD2-CB 4.35Å; Y209-P246 VanDerWaalsContact CE2-CA 3.44Å; Y209-P246 HydrophobicContact CE2-CB 3.97Å; Y209-P246 HydrophobicContact CE2-CG 3.66Å; Y209-P246 VanDerWaalsContact CE2-N 3.28Å
210S98.6Very high98.7Very high0 Ų013.3 Ų13.30%06%0.062CC..Hα-helixtrans-68.9-54.4-175.2-161.10000111.8D208 G212 S213 P278 C318D208-S210 VanDerWaalsContact C-N 3.27Å; D208-S210 PolarHBondContact O-N 2.97Å; D208-S210 WeakPolarHBondContact OD2-CB 3.42Å; D208-S210 PolarHBondContact OD2-N 2.92Å; S210-G212 VanDerWaalsContact C-N 3.32Å; S210-G212 PolarHBondContact O-N 3.27Å; S210-S213 VanDerWaalsContact O-CB 3.27Å; S210-S213 WeakPolarHBondContact O-CB 3.44Å; S210-S213 PolarHBondContact O-N 3.41Å; S210-S213 PolarHBondContact O-OG 3.25Å; S210-P278 VanDerWaalsContact OG-CB 3.3Å; S210-P278 WeakPolarHBondContact OG-CB 3.5Å; S210-P278 VanDerWaalsContact OG-CG 3.24Å; S210-P278 WeakPolarHBondContact OG-CG 3.39Å; S210-C318 WeakPolarHBondContact CA-O 3.48Å; S210-C318 WeakPolarHBondContact CB-O 3.17Å; S210-C318 PolarHBondContact OG-O 3.11Å
211D98.6Very high98.6Very high0 Ų019.5 Ų19.50%09%0.086CC..Hα-helixtrans-72.3-30.4178.1-15224.5000111.8Q94 L191 S193 D208 S213 G214 G275Q94-D211 WeakPolarHBondContact CG-OD1 3.43Å; Q94-D211 PolarHBondContact NE2-OD1 2.97Å; Q94-D211 VanDerWaalsContact NE2-OD1 3.14Å; L191-D211 HydrophobicContact CD1-CB 3.81Å; L191-D211 WeakPolarHBondContact CD1-O 3.34Å; L191-D211 WeakPolarHBondContact CD1-OD2 3.32Å; S193-D211 VanDerWaalsContact CB-OD2 3.24Å; S193-D211 WeakPolarHBondContact CB-OD2 3.28Å; S193-D211 PolarHBondContact OG-OD2 3.12Å; D208-D211 WeakPolarHBondContact OD1-CB 3.33Å; D208-D211 PolarHBondContact OD1-N 3.43Å; D211-S213 PolarHBondContact O-N 2.62Å; D211-G214 PolarHBondContact O-N 3.46Å; D211-G275 VanDerWaalsContact CG-CA 3.49Å; D211-G275 WeakPolarHBondContact OD1-CA 3.39Å
212G98.8Very high98.6Very high0 Ų024 Ų240%011%0.11CC..Hα-helixtrans-59.8-24.9171.900000114D208 S210 G214 M215 L218D208-G212 WeakPolarHBondContact O-CA 3.32Å; D208-G212 PolarHBondContact O-N 3.1Å; S210-G212 VanDerWaalsContact C-N 3.32Å; S210-G212 PolarHBondContact O-N 3.27Å; G212-G214 PolarHBondContact O-N 3.28Å; G212-M215 WeakPolarHBondContact O-CB 3.31Å; G212-M215 VanDerWaalsContact O-CG 3.27Å; G212-M215 WeakPolarHBondContact O-CG 3.46Å; G212-L218 WeakPolarHBondContact O-CB 3.48Å
213S98.8Very high98.6Very high1 Ų126.7 Ų26.71%0.00712%0.117CC..G310 helixtrans-67.5-25173.2-54.80000112.2Y209 S210 D211 M215 C318Y209-S213 PolarHBondContact O-N 3.17Å; Y209-S213 VanDerWaalsContact O-N 3.08Å; Y209-S213 PolarHBondContact O-OG 3.19Å; S210-S213 VanDerWaalsContact O-CB 3.27Å; S210-S213 WeakPolarHBondContact O-CB 3.44Å; S210-S213 PolarHBondContact O-N 3.41Å; S210-S213 PolarHBondContact O-OG 3.25Å; D211-S213 PolarHBondContact O-N 2.62Å; S213-M215 PolarHBondContact O-N 2.96Å; S213-M215 VanDerWaalsContact O-N 3.08Å; S213-C318 PolarHBondContact OG-N 3.43Å
214G98.4Very high98.6Very high0 Ų026.5 Ų26.50%012%0.123CC..G310 helixtrans-77.519.7177.900000115.1H95 F167 D211 G212H95-G214 PolarHBondContact ND1-O 3.16Å; F167-G214 VanDerWaalsContact CD2-C 3.48Å; F167-G214 WeakPolarHBondContact CD2-O 3.42Å; F167-G214 WeakPolarHBondContact CG-O 3.38Å; D211-G214 PolarHBondContact O-N 3.46Å; G212-G214 PolarHBondContact O-N 3.28Å
215M98.9Very high98.6Very high1 Ų125.4 Ų25.41%0.00512%0.118CC..G310 helixtrans-113.6-14.6-170.4-57.7-178.479.900114.8T168 G169 L191 I207 G212 S213 L217 W225 L241T168-M215 HydrophobicContact CG2-CE 3.86Å; G169-M215 WeakPolarHBondContact CA-O 3.01Å; G169-M215 PolarHBondContact N-O 2.82Å; L191-M215 HydrophobicContact CD1-CG 4.14Å; L191-M215 HydrophobicContact CD1-SD 3.98Å; L191-M215 HydrophobicContact CD2-CE 4.15Å; L191-M215 HydrophobicContact CD2-CG 4.19Å; L191-M215 HydrophobicContact CD2-SD 4.34Å; L191-M215 HydrophobicContact CG-CE 4.33Å; L191-M215 HydrophobicContact CG-SD 4.24Å; I207-M215 HydrophobicContact CD1-CE 4.09Å; I207-M215 HydrophobicContact CD1-SD 4.22Å; I207-M215 HydrophobicContact CG2-SD 4.29Å; G212-M215 WeakPolarHBondContact O-CB 3.31Å; G212-M215 VanDerWaalsContact O-CG 3.27Å; G212-M215 WeakPolarHBondContact O-CG 3.46Å; S213-M215 PolarHBondContact O-N 2.96Å; S213-M215 VanDerWaalsContact O-N 3.08Å; M215-L217 HydrophobicContact CB-CB 4.04Å; M215-L217 HydrophobicContact CB-CD1 4.26Å; M215-L217 HydrophobicContact CB-CG 4.06Å; M215-L217 HydrophobicContact CE-CD1 4.07Å; M215-L217 PolarHBondContact O-N 3.39Å; M215-W225 HydrophobicContact SD-CH2 3.71Å; M215-W225 HydrophobicContact SD-CZ3 3.82Å; M215-L241 HydrophobicContact CE-CD2 3.94Å
216N98.8Very high98.6Very high0 Ų026 Ų260%012%0.122CC..THydrogen-bonded Turntrans55.131-161.6-64.1130.6000113L145 T159 S161 R162 A163 F167 N170 C229L145-N216 HydrophobicContact CD2-CB 3.64Å; T159-N216 PolarHBondContact OG1-ND2 2.87Å; S161-N216 PolarHBondContact O-ND2 2.87Å; S161-N216 VanDerWaalsContact O-ND2 3.16Å; R162-N216 PolarHBondContact O-ND2 2.9Å; A163-N216 WeakPolarHBondContact CA-OD1 3.34Å; F167-N216 WeakPolarHBondContact CB-OD1 3.27Å; F167-N216 HydrophobicContact CD2-CB 4.31Å; F167-N216 VanDerWaalsContact CD2-CG 3.45Å; F167-N216 VanDerWaalsContact CD2-OD1 3.3Å; F167-N216 WeakPolarHBondContact CD2-OD1 3.44Å; F167-N216 WeakPolarHBondContact CG-OD1 3.22Å; N170-N216 PolarHBondContact ND2-OD1 2.8Å; N216-C229 WeakPolarHBondContact O-CB 3.38Å
217L98.9Very high98.5Very high0 Ų029.8 Ų29.80%014%0.136CC..  trans-127.5-33-179.2-61.2180000113.6I172 M215 W225 S226 C229 L230 T233 L237 L241I172-L217 HydrophobicContact CD1-CD1 4.42Å; M215-L217 HydrophobicContact CB-CB 4.04Å; M215-L217 HydrophobicContact CB-CD1 4.26Å; M215-L217 HydrophobicContact CB-CG 4.06Å; M215-L217 HydrophobicContact CE-CD1 4.07Å; M215-L217 PolarHBondContact O-N 3.39Å; L217-W225 HydrophobicContact CB-CE3 3.99Å; L217-W225 HydrophobicContact CB-CZ3 4.22Å; L217-S226 PolarHBondContact O-N 3.05Å; L217-C229 HydrophobicContact CD2-CB 4.01Å; L217-L230 HydrophobicContact CD1-CD2 4.46Å; L217-L230 HydrophobicContact CD2-CD2 4.39Å; L217-T233 WeakPolarHBondContact CD2-OG1 3.37Å; L217-L237 HydrophobicContact CD1-CD2 3.95Å; L217-L237 HydrophobicContact CD2-CD2 4.31Å; L217-L241 HydrophobicContact CD1-CD1 3.88Å
218L98.9Very high98.5Very high0 Ų033.8 Ų33.80%016%0.156CC..EExtended strand (participates in β ladder)trans-79.3131178.9-168.573.7000109.7T159 Y209 G212 I220 W225 P244T159-L218 WeakPolarHBondContact CA-O 3.5Å; Y209-L218 VanDerWaalsContact O-CD2 3.23Å; Y209-L218 WeakPolarHBondContact O-CD2 3.36Å; G212-L218 WeakPolarHBondContact O-CB 3.48Å; L218-I220 PolarHBondContact O-N 2.88Å; L218-W225 HydrophobicContact CB-CE3 3.96Å; L218-W225 HydrophobicContact CB-CZ3 3.77Å; L218-W225 HydrophobicContact CD1-CD2 4.35Å; L218-W225 HydrophobicContact CD1-CE3 3.79Å; L218-W225 HydrophobicContact CD1-CH2 4.4Å; L218-W225 HydrophobicContact CD1-CZ3 3.83Å; L218-W225 HydrophobicContact CG-CZ3 4.39Å; L218-P244 HydrophobicContact CD1-CB 4.13Å; L218-P244 HydrophobicContact CD1-CG 3.84Å
219D98.8Very high98.5Very high30 Ų3033.8 Ų33.816%0.1616%0.156CC..EExtended strand (participates in β ladder)trans-74.1113.4159.3-170.8-57.3000108.1I158 R221 D222 R223 M224I158-D219 HydrophobicContact CG2-CB 4.19Å; I158-D219 WeakPolarHBondContact O-CA 3.38Å; D219-R221 VanDerWaalsContact C-N 3.26Å; D219-R221 PolarHBondContact O-N 2.88Å; D219-R221 PolarHBondContact OD1-N 3.07Å; D219-D222 HydrophobicContact CB-CB 4.27Å; D219-D222 PolarHBondContact OD1-N 3.11Å; D219-R223 VanDerWaalsContact O-CA 3.27Å; D219-R223 WeakPolarHBondContact O-CA 3.34Å; D219-R223 PolarHBondContact O-N 2.8Å; D219-M224 WeakPolarHBondContact CB-O 3.45Å; D219-M224 PolarHBondContact N-O 2.96Å
220I98.4Very high98.5Very high0 Ų031.8 Ų31.80%015%0.149CC..THydrogen-bonded Turntrans-72.2-21.2-172.559.8163.9000112.7I158 L218 P310 V316 C318 F326I158-I220 PolarHBondContact O-N 2.97Å; L218-I220 PolarHBondContact O-N 2.88Å; I220-P310 HydrophobicContact CD1-CG 4.39Å; I220-V316 HydrophobicContact CD1-CB 4.1Å; I220-V316 HydrophobicContact CD1-CG1 3.63Å; I220-C318 PolarHBondContact O-SG 3.2Å; I220-C318 VanDerWaalsContact O-SG 3.41Å; I220-F326 HydrophobicContact CB-CE1 4.14Å; I220-F326 HydrophobicContact CD1-CD1 4.16Å; I220-F326 HydrophobicContact CD1-CE1 4.03Å; I220-F326 HydrophobicContact CG1-CE1 4.18Å; I220-F326 WeakPolarHBondContact O-CE1 3.35Å
221R97.4Very high98.5Very high132 Ų13236.8 Ų36.850%0.49818%0.176SC..THydrogen-bonded Turntrans-84.7-46.5179.8-63.2-175.1-178.9-83.8-3.4110.5D219 P308D219-R221 VanDerWaalsContact C-N 3.26Å; D219-R221 PolarHBondContact O-N 2.88Å; D219-R221 PolarHBondContact OD1-N 3.07Å; R221-P308 PolarHBondContact NH2-O 3.11Å
222D97.3Very high98.4Very high106 Ų10638.4 Ų38.457%0.56719%0.189SC*.THydrogen-bonded Turntrans-84-14.6-178.4-70.8-12.5000112.8D219 M224D219-D222 HydrophobicContact CB-CB 4.27Å; D219-D222 PolarHBondContact OD1-N 3.11Å; D222-M224 HydrophobicContact CB-CE 4.01Å; D222-M224 PolarHBondContact O-N 3.36Å
223R97.9Very high98.4Very high62 Ų6238.5 Ų38.523%0.23419%0.189CC..THydrogen-bonded Turntrans5633.6-177.8-51.6-176.6-169.6148.618.3113.2Y209 D219 P323 D324Y209-R223 HydrophobicContact CD1-CB 4.01Å; Y209-R223 HydrophobicContact CD2-CB 4.24Å; Y209-R223 HydrophobicContact CD2-CG 4.32Å; Y209-R223 HydrophobicContact CE1-CB 3.89Å; Y209-R223 WeakPolarHBondContact CE1-O 3.37Å; Y209-R223 HydrophobicContact CE2-CB 4.1Å; Y209-R223 HydrophobicContact CE2-CG 4.45Å; Y209-R223 HydrophobicContact CG-CB 4.21Å; Y209-R223 HydrophobicContact CG-CG 4.49Å; D219-R223 VanDerWaalsContact O-CA 3.27Å; D219-R223 WeakPolarHBondContact O-CA 3.34Å; D219-R223 PolarHBondContact O-N 2.8Å; R223-P323 PolarHBondContact NH1-O 2.86Å; R223-P323 PolarHBondContact NH2-O 2.89Å; R223-D324 IonicContact CZ-OD1 3.69Å; R223-D324 IonicContact NH1-OD1 3.3Å; R223-D324 IonicContact NH2-OD1 3.75Å; R223-D324 PolarHBondContact NH2-OD1 3.19Å
224M98.3Very high98.3Very high110 Ų11038.6 Ų38.654%0.54219%0.19SC..EExtended strand (participates in β ladder)trans-127.2159.6176.6-67-171.8-6900109.5D219 D222 S226D219-M224 WeakPolarHBondContact CB-O 3.45Å; D219-M224 PolarHBondContact N-O 2.96Å; D222-M224 HydrophobicContact CB-CE 4.01Å; D222-M224 PolarHBondContact O-N 3.36Å; M224-S226 PolarHBondContact O-N 2.8Å
225W98.8Very high98Very high18 Ų1844 Ų447%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-65130172.9-56.3123.7000111.1I207 M215 L217 L218 Q227 L230 L241 G242 P244I207-W225 HydrophobicContact CB-CH2 4.33Å; I207-W225 HydrophobicContact CB-CZ2 4.38Å; I207-W225 HydrophobicContact CD1-CH2 4.29Å; I207-W225 HydrophobicContact CD1-CZ2 4.3Å; I207-W225 HydrophobicContact CG2-CH2 4.09Å; M215-W225 HydrophobicContact SD-CH2 3.71Å; M215-W225 HydrophobicContact SD-CZ3 3.82Å; L217-W225 HydrophobicContact CB-CE3 3.99Å; L217-W225 HydrophobicContact CB-CZ3 4.22Å; L218-W225 HydrophobicContact CB-CE3 3.96Å; L218-W225 HydrophobicContact CB-CZ3 3.77Å; L218-W225 HydrophobicContact CD1-CD2 4.35Å; L218-W225 HydrophobicContact CD1-CE3 3.79Å; L218-W225 HydrophobicContact CD1-CH2 4.4Å; L218-W225 HydrophobicContact CD1-CZ3 3.83Å; L218-W225 HydrophobicContact CG-CZ3 4.39Å; W225-Q227 PolarHBondContact O-N 3.4Å; W225-L230 HydrophobicContact CB-CD1 3.59Å; W225-L230 HydrophobicContact CB-CD2 4.15Å; W225-L230 HydrophobicContact CB-CG 3.99Å; W225-L230 HydrophobicContact CG-CD1 4.36Å; W225-L230 HydrophobicContact CG-CD2 4.48Å; W225-L241 HydrophobicContact CD2-CD1 4.09Å; W225-L241 HydrophobicContact CE3-CD1 4.37Å; W225-L241 HydrophobicContact CH2-CD1 4.48Å; W225-L241 HydrophobicContact CZ2-CB 4.14Å; W225-L241 HydrophobicContact CZ2-CD1 4.18Å; W225-G242 PolarHBondContact NE1-O 2.69Å; W225-P244 HydrophobicContact CD2-CG 4.38Å; W225-P244 HydrophobicContact CH2-CB 4.18Å; W225-P244 HydrophobicContact CZ2-CB 3.74Å; W225-P244 HydrophobicContact CZ2-CG 4.07Å
226S98.7Very high97.7Very high13 Ų1349.6 Ų49.69%0.09125%0.253CS..  trans-69.6117.3172.9167.40000109.8L217 M224 I228 C229 L230L217-S226 PolarHBondContact O-N 3.05Å; M224-S226 PolarHBondContact O-N 2.8Å; S226-I228 VanDerWaalsContact C-N 3.26Å; S226-I228 PolarHBondContact O-N 3.14Å; S226-C229 PolarHBondContact O-N 2.79Å; S226-C229 VanDerWaalsContact O-N 3.12Å; S226-C229 PolarHBondContact OG-N 2.82Å; S226-C229 PolarHBondContact OG-SG 2.91Å; S226-L230 WeakPolarHBondContact O-CG 3.39Å; S226-L230 PolarHBondContact O-N 2.68Å
227Q98.3Very high97.7Very high106 Ų10649.7 Ų49.750%0.49525%0.254SS..Hα-helixtrans-58.6-39.7-179.2-170.458.648.700111.9W225 C229 L230 D231W225-Q227 PolarHBondContact O-N 3.4Å; Q227-C229 VanDerWaalsContact C-N 3.35Å; Q227-C229 PolarHBondContact O-N 3.15Å; Q227-L230 PolarHBondContact O-N 3.16Å; Q227-D231 PolarHBondContact NE2-OD1 3.4Å; Q227-D231 PolarHBondContact NE2-OD2 2.91Å; Q227-D231 WeakPolarHBondContact O-CB 3.46Å; Q227-D231 VanDerWaalsContact O-CG 3.27Å; Q227-D231 PolarHBondContact O-N 2.78Å
228I98.3Very high97.6Very high85 Ų8554 Ų5444%0.43627%0.272SS..Hα-helixtrans-59.9-46177.1-63.9169.5000110.6S226 A232S226-I228 VanDerWaalsContact C-N 3.26Å; S226-I228 PolarHBondContact O-N 3.14Å; I228-A232 WeakPolarHBondContact O-CB 3.43Å; I228-A232 PolarHBondContact O-N 3.23Å; I228-A232 VanDerWaalsContact O-N 3.11Å
229C98.8Very high97.6Very high0 Ų061.4 Ų61.40%030%0.3CS..Hα-helixtrans-68.7-37.8-179.8-61.30000112L145 N216 L217 S226 Q227 T233L145-C229 HydrophobicContact CD1-CB 4.34Å; N216-C229 WeakPolarHBondContact O-CB 3.38Å; L217-C229 HydrophobicContact CD2-CB 4.01Å; S226-C229 PolarHBondContact O-N 2.79Å; S226-C229 VanDerWaalsContact O-N 3.12Å; S226-C229 PolarHBondContact OG-N 2.82Å; S226-C229 PolarHBondContact OG-SG 2.91Å; Q227-C229 VanDerWaalsContact C-N 3.35Å; Q227-C229 PolarHBondContact O-N 3.15Å; C229-T233 WeakPolarHBondContact O-CB 3.46Å; C229-T233 PolarHBondContact O-N 3.36Å; C229-T233 PolarHBondContact O-OG1 2.95Å
230L98.8Very high97.6Very high4 Ų460.3 Ų60.32%0.02129%0.294CS..Hα-helixtrans-63.8-50.2175.8-67.9-177.5000111.7L217 W225 S226 Q227 A232 T233 A234 L237 K238 L241L217-L230 HydrophobicContact CD1-CD2 4.46Å; L217-L230 HydrophobicContact CD2-CD2 4.39Å; W225-L230 HydrophobicContact CB-CD1 3.59Å; W225-L230 HydrophobicContact CB-CD2 4.15Å; W225-L230 HydrophobicContact CB-CG 3.99Å; W225-L230 HydrophobicContact CG-CD1 4.36Å; W225-L230 HydrophobicContact CG-CD2 4.48Å; S226-L230 WeakPolarHBondContact O-CG 3.39Å; S226-L230 PolarHBondContact O-N 2.68Å; Q227-L230 PolarHBondContact O-N 3.16Å; L230-A232 VanDerWaalsContact C-N 3.31Å; L230-A232 PolarHBondContact O-N 2.97Å; L230-T233 PolarHBondContact O-N 3.43Å; L230-A234 PolarHBondContact O-N 3.12Å; L230-L237 HydrophobicContact CD2-CB 4.11Å; L230-L237 HydrophobicContact CD2-CD2 3.73Å; L230-L237 HydrophobicContact CD2-CG 3.83Å; L230-K238 HydrophobicContact CD1-CB 3.77Å; L230-K238 HydrophobicContact CD1-CG 4.4Å; L230-L241 HydrophobicContact CD2-CD1 3.87Å
231D98.1Very high97.6Very high105 Ų10560.3 Ų60.356%0.56129%0.294SS*.Hα-helixtrans-63.7-37.1-177.3-70.1-24.7000112Q227 T233Q227-D231 PolarHBondContact NE2-OD1 3.4Å; Q227-D231 PolarHBondContact NE2-OD2 2.91Å; Q227-D231 WeakPolarHBondContact O-CB 3.46Å; Q227-D231 VanDerWaalsContact O-CG 3.27Å; Q227-D231 PolarHBondContact O-N 2.78Å; D231-T233 VanDerWaalsContact C-N 3.26Å; D231-T233 PolarHBondContact O-N 2.77Å
232A98Very high97.7Very high33 Ų3354.8 Ų54.827%0.27328%0.279SS..Hα-helixtrans-66.3-27.2173.800000113.2L145 A148 I228 L230L145-A232 HydrophobicContact CD1-CB 3.75Å; A148-A232 HydrophobicContact CB-CB 3.58Å; I228-A232 WeakPolarHBondContact O-CB 3.43Å; I228-A232 PolarHBondContact O-N 3.23Å; I228-A232 VanDerWaalsContact O-N 3.11Å; L230-A232 VanDerWaalsContact C-N 3.31Å; L230-A232 PolarHBondContact O-N 2.97Å
233T98.3Very high97.7Very high2 Ų255 Ų551%0.01228%0.276CS..Hα-helixtrans-88.6-59.8-174.6-60.10000111.9G169 I172 R176 L217 C229 L230 D231 L237G169-T233 WeakPolarHBondContact O-CG2 3.5Å; I172-T233 HydrophobicContact CB-CG2 3.99Å; I172-T233 HydrophobicContact CG2-CG2 3.76Å; R176-T233 PolarHBondContact NE-O 2.94Å; R176-T233 PolarHBondContact NH2-O 3.25Å; L217-T233 WeakPolarHBondContact CD2-OG1 3.37Å; C229-T233 WeakPolarHBondContact O-CB 3.46Å; C229-T233 PolarHBondContact O-N 3.36Å; C229-T233 PolarHBondContact O-OG1 2.95Å; L230-T233 PolarHBondContact O-N 3.43Å; D231-T233 VanDerWaalsContact C-N 3.26Å; D231-T233 PolarHBondContact O-N 2.77Å; T233-L237 HydrophobicContact CG2-CD2 3.51Å
234A96.7Very high97.8Very high3 Ų352.6 Ų52.63%0.02527%0.269CS..  trans-162.7147.7-176.300000112.9F183 L230 L237F183-A234 HydrophobicContact CE1-CB 4.09Å; F183-A234 HydrophobicContact CE2-CB 4.41Å; F183-A234 HydrophobicContact CZ-CB 3.55Å; L230-A234 PolarHBondContact O-N 3.12Å; A234-L237 HydrophobicContact CB-CB 4.23Å; A234-L237 HydrophobicContact CB-CD2 4.48Å; A234-L237 WeakPolarHBondContact O-CB 3.42Å; A234-L237 PolarHBondContact O-N 3.06Å
235T92.3Very high97.8Very high113 Ų11348.1 Ų48.169%0.69325%0.248SC*.THydrogen-bonded Turntrans-64.6140.7173.351.20000111.2L237T235-L237 PolarHBondContact O-N 2.86Å; T235-L237 VanDerWaalsContact O-N 3.11Å
236N91.8Very high97.7Very high119 Ų11949.9 Ų49.964%0.63626%0.262SS*.THydrogen-bonded Turntrans5720.4-178.8-61.4-45.7000115.2K238 R239N236-K238 VanDerWaalsContact C-N 3.26Å; N236-K238 PolarHBondContact O-N 3.46Å; N236-R239 WeakPolarHBondContact O-CB 3.27Å; N236-R239 PolarHBondContact O-N 3.01Å
237L98.3Very high97.7Very high2 Ų249.6 Ų49.61%0.0126%0.26CS..Hα-helixtrans-58.3-37.4-176.2-176.156.4000112.7I172 I189 L217 L230 T233 A234 T235 R239 L240 L241I172-L237 HydrophobicContact CD1-CD1 4.28Å; I172-L237 HydrophobicContact CG2-CD1 4.02Å; I189-L237 HydrophobicContact CD1-CD1 3.99Å; L217-L237 HydrophobicContact CD1-CD2 3.95Å; L217-L237 HydrophobicContact CD2-CD2 4.31Å; L230-L237 HydrophobicContact CD2-CB 4.11Å; L230-L237 HydrophobicContact CD2-CD2 3.73Å; L230-L237 HydrophobicContact CD2-CG 3.83Å; T233-L237 HydrophobicContact CG2-CD2 3.51Å; A234-L237 HydrophobicContact CB-CB 4.23Å; A234-L237 HydrophobicContact CB-CD2 4.48Å; A234-L237 WeakPolarHBondContact O-CB 3.42Å; A234-L237 PolarHBondContact O-N 3.06Å; T235-L237 PolarHBondContact O-N 2.86Å; T235-L237 VanDerWaalsContact O-N 3.11Å; L237-R239 PolarHBondContact O-N 3.01Å; L237-L240 HydrophobicContact CD1-CB 4.42Å; L237-L240 HydrophobicContact CD1-CD1 4.44Å; L237-L240 WeakPolarHBondContact O-CB 3.49Å; L237-L240 PolarHBondContact O-N 3.41Å; L237-L241 HydrophobicContact CD1-CD1 4.38Å; L237-L241 HydrophobicContact CD1-CD2 4.34Å; L237-L241 HydrophobicContact CD1-CG 4.08Å; L237-L241 HydrophobicContact CD2-CD1 4.49Å; L237-L241 HydrophobicContact CG-CD1 3.96Å; L237-L241 HydrophobicContact CG-CG 4.12Å; L237-L241 WeakPolarHBondContact O-CG 3.41Å; L237-L241 PolarHBondContact O-N 2.93Å
238K98.4Very high97.6Very high91 Ų9145.8 Ų45.840%0.39624%0.244SC..Hα-helixtrans-51.6-41.6175.2-172.6166.5177.1175.20112.7L230 N236 L241 G242 E243L230-K238 HydrophobicContact CD1-CB 3.77Å; L230-K238 HydrophobicContact CD1-CG 4.4Å; N236-K238 VanDerWaalsContact C-N 3.26Å; N236-K238 PolarHBondContact O-N 3.46Å; K238-L241 PolarHBondContact O-N 2.67Å; K238-G242 WeakPolarHBondContact O-CA 3.27Å; K238-G242 PolarHBondContact O-N 3.44Å; K238-E243 WeakPolarHBondContact CE-OE1 3.35Å; K238-E243 IonicContact NZ-OE1 2.66Å; K238-E243 PolarHBondContact NZ-OE1 2.65Å; K238-E243 IonicContact NZ-OE2 2.79Å
239R98.2Very high97.6Very high156 Ų15642.9 Ų42.959%0.58923%0.233SC*.Hα-helixtrans-65.1-41.6178.2-174.5-17464.675.9-1.1111.5N236 L237 L241N236-R239 WeakPolarHBondContact O-CB 3.27Å; N236-R239 PolarHBondContact O-N 3.01Å; L237-R239 PolarHBondContact O-N 3.01Å; R239-L241 VanDerWaalsContact C-N 3.33Å
240L98.7Very high97.6Very high6 Ų646 Ų463%0.03125%0.252CS..Hα-helixtrans-67.9-33.3179.4-58.4-179.9000112F183 T186 E187 R188 I189 L237F183-L240 HydrophobicContact CE1-CD1 4.45Å; F183-L240 HydrophobicContact CE2-CD1 4.13Å; F183-L240 HydrophobicContact CZ-CD1 3.73Å; T186-L240 VanDerWaalsContact O-CD2 3.29Å; T186-L240 WeakPolarHBondContact O-CD2 3.22Å; E187-L240 WeakPolarHBondContact O-CD2 3.45Å; R188-L240 WeakPolarHBondContact CA-O 3.45Å; R188-L240 WeakPolarHBondContact CD-O 3.42Å; I189-L240 HydrophobicContact CD1-CB 4.13Å; I189-L240 HydrophobicContact CD1-CD1 3.93Å; I189-L240 HydrophobicContact CG1-CB 4.21Å; I189-L240 PolarHBondContact N-O 2.81Å; L237-L240 HydrophobicContact CD1-CB 4.42Å; L237-L240 HydrophobicContact CD1-CD1 4.44Å; L237-L240 WeakPolarHBondContact O-CB 3.49Å; L237-L240 PolarHBondContact O-N 3.41Å
241L98.8Very high97.6Very high0 Ų047.1 Ų47.10%026%0.257CS..Hα-helixtrans-82.6-31.9177.6-61.5179.8000113.3R188 I189 I207 M215 L217 W225 L230 L237 K238 R239R188-L241 PolarHBondContact NH1-O 3.02Å; R188-L241 PolarHBondContact NH2-O 2.7Å; I189-L241 HydrophobicContact CB-CD2 4.17Å; I189-L241 HydrophobicContact CG2-CD2 4.3Å; I207-L241 HydrophobicContact CD1-CD2 4.14Å; M215-L241 HydrophobicContact CE-CD2 3.94Å; L217-L241 HydrophobicContact CD1-CD1 3.88Å; W225-L241 HydrophobicContact CD2-CD1 4.09Å; W225-L241 HydrophobicContact CE3-CD1 4.37Å; W225-L241 HydrophobicContact CH2-CD1 4.48Å; W225-L241 HydrophobicContact CZ2-CB 4.14Å; W225-L241 HydrophobicContact CZ2-CD1 4.18Å; L230-L241 HydrophobicContact CD2-CD1 3.87Å; L237-L241 HydrophobicContact CD1-CD1 4.38Å; L237-L241 HydrophobicContact CD1-CD2 4.34Å; L237-L241 HydrophobicContact CD1-CG 4.08Å; L237-L241 HydrophobicContact CD2-CD1 4.49Å; L237-L241 HydrophobicContact CG-CD1 3.96Å; L237-L241 HydrophobicContact CG-CG 4.12Å; L237-L241 WeakPolarHBondContact O-CG 3.41Å; L237-L241 PolarHBondContact O-N 2.93Å; K238-L241 PolarHBondContact O-N 2.67Å; R239-L241 VanDerWaalsContact C-N 3.33Å
242G98.5Very high97.6Very high17 Ų1742.7 Ų42.718%0.17524%0.237CC..  trans65.3-174.3-165.600000112.3W225 K238W225-G242 PolarHBondContact NE1-O 2.69Å; K238-G242 WeakPolarHBondContact O-CA 3.27Å; K238-G242 PolarHBondContact O-N 3.44Å
243E98.4Very high97.6Very high109 Ų10944.9 Ų44.951%0.50925%0.248SC..  trans-77.1139.6178.2-60.7-58.5157.500111.2K238K238-E243 WeakPolarHBondContact CE-OE1 3.35Å; K238-E243 IonicContact NZ-OE1 2.66Å; K238-E243 PolarHBondContact NZ-OE1 2.65Å; K238-E243 IonicContact NZ-OE2 2.79Å
244P98.6Very high97.5Very high13 Ų1344.9 Ų44.98%0.08425%0.248CC..  trans-76.4161.2172.732.9-28.6000110.4I207 Y209 L218 W225I207-P244 CarbonylContact O-C 3.55Å; I207-P244 WeakPolarHBondContact O-CA 3.35Å; Y209-P244 HydrophobicContact CD1-CB 3.89Å; Y209-P244 HydrophobicContact CD1-CG 4.34Å; Y209-P244 HydrophobicContact CE1-CB 3.87Å; Y209-P244 HydrophobicContact CE1-CG 4.01Å; L218-P244 HydrophobicContact CD1-CB 4.13Å; L218-P244 HydrophobicContact CD1-CG 3.84Å; W225-P244 HydrophobicContact CD2-CG 4.38Å; W225-P244 HydrophobicContact CH2-CB 4.18Å; W225-P244 HydrophobicContact CZ2-CB 3.74Å; W225-P244 HydrophobicContact CZ2-CG 4.07Å
245C98.5Very high97.6Very high15 Ų1545.2 Ų45.210%0.10125%0.251CS..BIsolated β-bridgetrans-136.8162.2-176.268.80000113.1A206 I207 D208 Y209 A249A206-C245 HydrophobicContact CB-CB 4.05Å; A206-C245 VanDerWaalsContact CB-SG 3.59Å; I207-C245 PolarHBondContact O-N 3.39Å; D208-C245 CarbonylContact C-O 3.59Å; D208-C245 VanDerWaalsContact CA-O 3.25Å; D208-C245 WeakPolarHBondContact CA-O 3.49Å; Y209-C245 VanDerWaalsContact CD1-O 3.3Å; Y209-C245 WeakPolarHBondContact CD1-O 3.39Å; Y209-C245 VanDerWaalsContact CE1-C 3.46Å; Y209-C245 VanDerWaalsContact CG-O 3.27Å; Y209-C245 PolarHBondContact N-O 3.24Å; C245-A249 HydrophobicContact CB-CB 4.24Å
246P98.3Very high97.9Very high55 Ų5543.2 Ų43.236%0.35724%0.241SC..  trans-57142.8170.5-21.431.3000111.7Y209 T248 A249Y209-P246 HydrophobicContact CD2-CB 4.35Å; Y209-P246 VanDerWaalsContact CE2-CA 3.44Å; Y209-P246 HydrophobicContact CE2-CB 3.97Å; Y209-P246 HydrophobicContact CE2-CG 3.66Å; Y209-P246 VanDerWaalsContact CE2-N 3.28Å; P246-T248 PolarHBondContact O-N 2.74Å; P246-T248 VanDerWaalsContact O-N 3.09Å; P246-A249 WeakPolarHBondContact O-CB 3.41Å; P246-A249 PolarHBondContact O-N 2.92Å
247S97.9Very high98.2Very high7 Ų737.7 Ų37.75%0.04921%0.211CC..THydrogen-bonded Turntrans-61.4-18.9176.1-54.90000113.2D208 P320 R472D208-S247 WeakPolarHBondContact OD2-CB 3.03Å; D208-S247 PolarHBondContact OD2-OG 3.08Å; S247-P320 VanDerWaalsContact CB-O 3.29Å; S247-P320 WeakPolarHBondContact CB-O 3.49Å; S247-R472 PolarHBondContact O-NH2 3.33Å
248T97.1Very high98.2Very high27 Ų2737.7 Ų37.717%0.16621%0.211CC..THydrogen-bonded Turntrans-87.4-5175.752.70000113.7P246 V250 G476 A479P246-T248 PolarHBondContact O-N 2.74Å; P246-T248 VanDerWaalsContact O-N 3.09Å; T248-V250 PolarHBondContact O-N 3.45Å; T248-G476 WeakPolarHBondContact O-CA 3.28Å; T248-A479 HydrophobicContact CG2-CB 4.13Å
249A98Very high98.1Very high24 Ų2436.1 Ų36.120%0.19821%0.206CC..  trans-63.1130.6-171.700000112.7C245 P246 L251 V271 A272C245-A249 HydrophobicContact CB-CB 4.24Å; P246-A249 WeakPolarHBondContact O-CB 3.41Å; P246-A249 PolarHBondContact O-N 2.92Å; A249-L251 HydrophobicContact CB-CD2 4.38Å; A249-L251 PolarHBondContact O-N 2.89Å; A249-V271 CarbonylContact O-C 3.51Å; A249-V271 WeakPolarHBondContact O-CA 3.3Å; A249-A272 PolarHBondContact O-N 3.35Å
250V98.3Very high98.1Very high65 Ų6535.6 Ų35.639%0.39421%0.209SC..EExtended strand (participates in β ladder)trans-79109.3166.4178.10000108.4T248 V271 G476T248-V250 PolarHBondContact O-N 3.45Å; V250-V271 HydrophobicContact CG2-CG2 4.21Å; V250-G476 WeakPolarHBondContact CG2-O 3.38Å
251L98.3Very high98.1Very high27 Ų2737.1 Ų37.114%0.14122%0.215CC..EExtended strand (participates in β ladder)trans-77.2-25.9-175.2-61-175.9000112.9A197 L201 R203 A205 A206 A249 I270 A272A197-L251 HydrophobicContact CB-CD1 4.25Å; L201-L251 HydrophobicContact CD1-CB 3.76Å; L201-L251 HydrophobicContact CD1-CD1 3.89Å; L201-L251 HydrophobicContact CD2-CB 4.17Å; R203-L251 PolarHBondContact NH2-O 2.76Å; A205-L251 HydrophobicContact CB-CD1 3.74Å; A206-L251 HydrophobicContact CB-CD2 4.39Å; A249-L251 HydrophobicContact CB-CD2 4.38Å; A249-L251 PolarHBondContact O-N 2.89Å; L251-I270 PolarHBondContact N-O 3.35Å; L251-A272 HydrophobicContact CD1-CB 4.2Å; L251-A272 HydrophobicContact CD2-CB 4.22Å; L251-A272 HydrophobicContact CG-CB 4.17Å
252G97.6Very high98Very high13 Ų1337.6 Ų37.613%0.13422%0.217CC..EExtended strand (participates in β ladder)trans150.2-178.3179.300000112.8I270G252-I270 PolarHBondContact O-N 2.7Å
253P97.7Very high98Very high78 Ų7838.5 Ų38.551%0.50623%0.226SC..EExtended strand (participates in β ladder)trans-71.3157.117531.9-35.4000111.3C268P253-C268 CarbonylContact C-O 3.5Å; P253-C268 WeakPolarHBondContact CA-O 3.22Å
254V97.6Very high97.9Very high2 Ų233.7 Ų33.71%0.01220%0.203CC..PPolyproline II helixtrans-59145.2169.672.40000111.2F200 L258 Q259 F264 S265 C268 I270F200-V254 HydrophobicContact CD1-CG2 4.46Å; V254-L258 HydrophobicContact CG2-CB 3.8Å; V254-L258 HydrophobicContact CG2-CD1 3.49Å; V254-L258 VanDerWaalsContact CG2-CD1 3.49Å; V254-L258 HydrophobicContact CG2-CG 4.26Å; V254-Q259 HydrophobicContact CG1-CG 3.9Å; V254-Q259 PolarHBondContact O-NE2 2.98Å; V254-F264 HydrophobicContact CG1-CB 3.93Å; V254-F264 HydrophobicContact CG2-CB 4.48Å; V254-F264 HydrophobicContact CG2-CD1 4.41Å; V254-F264 HydrophobicContact CG2-CG 4.36Å; V254-S265 WeakPolarHBondContact CG1-O 3.46Å; V254-C268 HydrophobicContact CB-CB 4.22Å; V254-C268 HydrophobicContact CG1-CB 3.8Å; V254-C268 PolarHBondContact N-O 2.89Å; V254-I270 HydrophobicContact CB-CD1 4.03Å; V254-I270 HydrophobicContact CB-CG1 4.45Å; V254-I270 HydrophobicContact CG2-CD1 4.17Å
255S98.3Very high97.8Very high11 Ų1134.9 Ų34.98%0.07721%0.212CC..PPolyproline II helixtrans-59.1148.3-176.670.70000113F200 F257 L258 Q259F200-S255 WeakPolarHBondContact O-CB 3.37Å; F200-S255 PolarHBondContact O-N 2.92Å; F200-S255 PolarHBondContact O-OG 3.22Å; S255-F257 PolarHBondContact O-N 2.89Å; S255-L258 PolarHBondContact O-N 2.81Å; S255-L258 VanDerWaalsContact O-N 3.12Å; S255-L258 WeakPolarHBondContact OG-CG 3.41Å; S255-L258 PolarHBondContact OG-N 3.48Å; S255-Q259 WeakPolarHBondContact O-CG 3.23Å; S255-Q259 PolarHBondContact O-N 3.22Å; S255-Q259 VanDerWaalsContact O-N 3.11Å
256S98Very high97.5Very high71 Ų7135.9 Ų35.950%0.49723%0.225SC..Hα-helixtrans-58.5-32.8172.753.30000112L258 Q259 H260S256-L258 PolarHBondContact O-N 2.95Å; S256-Q259 WeakPolarHBondContact O-CB 3.2Å; S256-Q259 PolarHBondContact O-N 2.86Å; S256-H260 PolarHBondContact O-CD2 3.04Å; S256-H260 PolarHBondContact O-N 2.99Å
257F98.4Very high97.3Very high3 Ų336.2 Ų36.21%0.01323%0.229CC..Hα-helixtrans-52.4-52.5171.8168.9-95.3000111.7L111 D112 P113 Q115 L117 S255 Q259 H260 R261 Y262L111-F257 HydrophobicContact CB-CB 3.87Å; L111-F257 HydrophobicContact CB-CD2 3.72Å; L111-F257 HydrophobicContact CB-CG 3.9Å; L111-F257 HydrophobicContact CD1-CB 4.38Å; L111-F257 HydrophobicContact CD1-CD1 4.48Å; L111-F257 HydrophobicContact CD1-CG 4.28Å; D112-F257 VanDerWaalsContact O-CE2 3.29Å; D112-F257 WeakPolarHBondContact O-CE2 3.39Å; P113-F257 HydrophobicContact CB-CD2 4.3Å; Q115-F257 WeakPolarHBondContact O-CE2 3.42Å; L117-F257 HydrophobicContact CD1-CE1 4.03Å; L117-F257 HydrophobicContact CD2-CD1 3.91Å; L117-F257 HydrophobicContact CD2-CE1 3.4Å; L117-F257 HydrophobicContact CD2-CE2 4.32Å; L117-F257 HydrophobicContact CD2-CZ 3.64Å; L117-F257 HydrophobicContact CG-CE1 3.57Å; L117-F257 HydrophobicContact CG-CZ 3.7Å; S255-F257 PolarHBondContact O-N 2.89Å; F257-Q259 PolarHBondContact O-N 3.4Å; F257-H260 PolarHBondContact O-N 3.19Å; F257-R261 VanDerWaalsContact CZ-CD 3.41Å; F257-R261 WeakPolarHBondContact O-CB 3.1Å; F257-R261 PolarHBondContact O-N 3.07Å; F257-Y262 HydrophobicContact CE1-CE2 4.32Å
258L98Very high97.2Very high1 Ų135.9 Ų35.91%0.00523%0.226CC..Hα-helixtrans-70.2-32.1-179.9-68.9178.1000112.6L72 F200 V254 S255 S256 Y262 G263 F264L72-L258 HydrophobicContact CD1-CD2 3.86Å; F200-L258 HydrophobicContact CB-CD1 4.22Å; F200-L258 HydrophobicContact CD1-CD1 3.34Å; F200-L258 HydrophobicContact CE1-CD1 3.72Å; F200-L258 HydrophobicContact CG-CD1 3.96Å; V254-L258 HydrophobicContact CG2-CB 3.8Å; V254-L258 HydrophobicContact CG2-CD1 3.49Å; V254-L258 VanDerWaalsContact CG2-CD1 3.49Å; V254-L258 HydrophobicContact CG2-CG 4.26Å; S255-L258 PolarHBondContact O-N 2.81Å; S255-L258 VanDerWaalsContact O-N 3.12Å; S255-L258 WeakPolarHBondContact OG-CG 3.41Å; S255-L258 PolarHBondContact OG-N 3.48Å; S256-L258 PolarHBondContact O-N 2.95Å; L258-Y262 HydrophobicContact CD2-CD2 3.49Å; L258-Y262 VanDerWaalsContact CD2-CD2 3.49Å; L258-Y262 HydrophobicContact CD2-CE2 3.62Å; L258-Y262 PolarHBondContact O-N 3.28Å; L258-G263 PolarHBondContact O-N 3.3Å; L258-F264 HydrophobicContact CB-CD2 3.95Å; L258-F264 HydrophobicContact CB-CE2 4.38Å
259Q97.9Very high97.2Very high59 Ų5935.9 Ų35.928%0.27623%0.227SC..Hα-helixtrans-61.6-51.3173.3-63.9173.54700110.9V254 S255 S256 F257 G263 G266V254-Q259 HydrophobicContact CG1-CG 3.9Å; V254-Q259 PolarHBondContact O-NE2 2.98Å; S255-Q259 WeakPolarHBondContact O-CG 3.23Å; S255-Q259 PolarHBondContact O-N 3.22Å; S255-Q259 VanDerWaalsContact O-N 3.11Å; S256-Q259 WeakPolarHBondContact O-CB 3.2Å; S256-Q259 PolarHBondContact O-N 2.86Å; F257-Q259 PolarHBondContact O-N 3.4Å; Q259-G263 WeakPolarHBondContact O-CA 3.45Å; Q259-G263 PolarHBondContact O-N 3.12Å; Q259-G266 VanDerWaalsContact CD-CA 3.44Å
260H98.3Very high97.3Very high144 Ų14434.8 Ų34.867%0.66722%0.218SC*.Hα-helixtrans-73.4-38.6-177.7-69.6-59000113.2P113 S256 F257P113-H260 HydrophobicContact CB-CB 3.74Å; P113-H260 HydrophobicContact CG-CB 3.88Å; S256-H260 PolarHBondContact O-CD2 3.04Å; S256-H260 PolarHBondContact O-N 2.99Å; F257-H260 PolarHBondContact O-N 3.19Å
261R97.8Very high97.3Very high38 Ų3831.7 Ų31.714%0.14320%0.199CC..Hα-helixtrans-77.9-42.8-176.1-173.7175.3173.687.34.8113.2D73 K76 P113 Q115 N116 F257D73-R261 IonicContact OD1-NH2 3.74Å; D73-R261 PolarHBondContact OD1-NH2 2.84Å; D73-R261 IonicContact OD2-NH2 2.84Å; K76-R261 PolarHBondContact NZ-O 3.35Å; P113-R261 HydrophobicContact CB-CB 4.04Å; P113-R261 PolarHBondContact O-NH1 2.82Å; P113-R261 VanDerWaalsContact O-NH1 3.08Å; Q115-R261 PolarHBondContact O-NH1 2.99Å; N116-R261 PolarHBondContact OD1-NH2 2.84Å; F257-R261 VanDerWaalsContact CZ-CD 3.41Å; F257-R261 WeakPolarHBondContact O-CB 3.1Å; F257-R261 PolarHBondContact O-N 3.07Å
262Y97.3Very high97.3Very high11 Ų1130.4 Ų30.44%0.04319%0.192CC..Hα-helixtrans-115-12.3-172.4-59.4-74.5000114.1L72 D73 K76 F82 F257 L258L72-Y262 HydrophobicContact CB-CD1 3.98Å; L72-Y262 HydrophobicContact CB-CD2 4.47Å; L72-Y262 HydrophobicContact CB-CE1 3.47Å; L72-Y262 VanDerWaalsContact CB-CE1 3.47Å; L72-Y262 HydrophobicContact CB-CE2 3.99Å; L72-Y262 HydrophobicContact CB-CG 4.47Å; L72-Y262 VanDerWaalsContact CB-CZ 3.47Å; L72-Y262 HydrophobicContact CD1-CD2 4.11Å; L72-Y262 HydrophobicContact CD1-CE2 3.64Å; L72-Y262 HydrophobicContact CG-CE2 4.46Å; D73-Y262 WeakPolarHBondContact OD1-CE1 3.44Å; D73-Y262 PolarHBondContact OD1-OH 3.39Å; K76-Y262 HydrophobicContact CB-CD1 4.39Å; K76-Y262 HydrophobicContact CD-CD1 4.04Å; F82-Y262 WeakPolarHBondContact CB-O 3.18Å; F82-Y262 VanDerWaalsContact CD2-O 3.24Å; F82-Y262 WeakPolarHBondContact CD2-O 2.8Å; F82-Y262 HydrophobicContact CE2-CD1 4.42Å; F257-Y262 HydrophobicContact CE1-CE2 4.32Å; L258-Y262 HydrophobicContact CD2-CD2 3.49Å; L258-Y262 VanDerWaalsContact CD2-CD2 3.49Å; L258-Y262 HydrophobicContact CD2-CE2 3.62Å; L258-Y262 PolarHBondContact O-N 3.28Å
263G97.4Very high97.3Very high36 Ų3630.1 Ų30.137%0.37119%0.188SC..  trans83.525.3178.300000114.2F82 S83 L258 Q259F82-G263 CarbonylContact C-O 3.52Å; S83-G263 VanDerWaalsContact CA-O 3.23Å; S83-G263 WeakPolarHBondContact CA-O 3.41Å; S83-G263 WeakPolarHBondContact CB-O 3.36Å; S83-G263 PolarHBondContact N-O 2.96Å; S83-G263 VanDerWaalsContact N-O 3.08Å; L258-G263 PolarHBondContact O-N 3.3Å; Q259-G263 WeakPolarHBondContact O-CA 3.45Å; Q259-G263 PolarHBondContact O-N 3.12Å
264F97.6Very high97.3Very high8 Ų826.4 Ų26.44%0.03516%0.163CC..  trans-59.5147169-79.3-97.5000111L4 F82 V85 L88 F200 V254 L258L4-F264 HydrophobicContact CD2-CE1 3.91Å; L4-F264 HydrophobicContact CD2-CZ 3.67Å; F82-F264 HydrophobicContact CB-CD2 4.11Å; F82-F264 HydrophobicContact CB-CE2 4.35Å; F82-F264 HydrophobicContact CB-CG 4.27Å; F82-F264 HydrophobicContact CD1-CD1 4.46Å; F82-F264 AromaticContact CD1-CD2 3.88Å; F82-F264 HydrophobicContact CD1-CD2 3.88Å; F82-F264 AromaticContact CD1-CE1 3.92Å; F82-F264 HydrophobicContact CD1-CE1 3.92Å; F82-F264 AromaticContact CD1-CE2 3.24Å; F82-F264 HydrophobicContact CD1-CE2 3.24Å; F82-F264 HydrophobicContact CD1-CG 4.45Å; F82-F264 AromaticContact CD1-CZ 3.28Å; F82-F264 HydrophobicContact CD1-CZ 3.28Å; F82-F264 AromaticContact CE1-CE2 3.65Å; F82-F264 HydrophobicContact CE1-CE2 3.65Å; F82-F264 AromaticContact CE1-CZ 3.65Å; F82-F264 HydrophobicContact CE1-CZ 3.65Å; F82-F264 HydrophobicContact CG-CD2 4.21Å; F82-F264 AromaticContact CG-CE2 3.98Å; F82-F264 HydrophobicContact CG-CE2 3.98Å; F82-F264 HydrophobicContact CG-CZ 4.34Å; V85-F264 HydrophobicContact CB-CD1 4.12Å; V85-F264 HydrophobicContact CB-CE1 4.15Å; V85-F264 HydrophobicContact CG1-CD1 4.4Å; V85-F264 HydrophobicContact CG1-CE1 4.15Å; V85-F264 HydrophobicContact CG2-CD1 4.45Å; V85-F264 HydrophobicContact CG2-CE1 4.16Å; L88-F264 HydrophobicContact CD1-CE1 4.49Å; F200-F264 HydrophobicContact CE1-CZ 4.28Å; V254-F264 HydrophobicContact CG1-CB 3.93Å; V254-F264 HydrophobicContact CG2-CB 4.48Å; V254-F264 HydrophobicContact CG2-CD1 4.41Å; V254-F264 HydrophobicContact CG2-CG 4.36Å; L258-F264 HydrophobicContact CB-CD2 3.95Å; L258-F264 HydrophobicContact CB-CE2 4.38Å
265S95.6Very high97.3Very high37 Ų3726.3 Ų26.326%0.25916%0.163SC..  trans-66.5137.2168.9-179.60000110.2V254 S267 C268V254-S265 WeakPolarHBondContact CG1-O 3.46Å; S265-S267 PolarHBondContact O-N 3.3Å; S265-S267 VanDerWaalsContact O-N 3.13Å; S265-S267 PolarHBondContact OG-N 2.99Å; S265-S267 VanDerWaalsContact OG-N 3.14Å; S265-S267 PolarHBondContact OG-OG 2.83Å; S265-C268 WeakPolarHBondContact O-CB 3.45Å; S265-C268 PolarHBondContact O-N 3.14Å
266G92.8Very high97Very high37 Ų3726.8 Ų26.838%0.38117%0.165SC..THydrogen-bonded Turntrans-63.1-14.2169.800000113.9Q259 C268Q259-G266 VanDerWaalsContact CD-CA 3.44Å; G266-C268 VanDerWaalsContact C-N 3.33Å
267S92.9Very high96.7Very high62 Ų6225.5 Ų25.543%0.43415%0.152SC..THydrogen-bonded Turntrans-86.92.2171.378.90000113.8S265 S269S265-S267 PolarHBondContact O-N 3.3Å; S265-S267 VanDerWaalsContact O-N 3.13Å; S265-S267 PolarHBondContact OG-N 2.99Å; S265-S267 VanDerWaalsContact OG-N 3.14Å; S265-S267 PolarHBondContact OG-OG 2.83Å; S267-S269 PolarHBondContact O-N 2.86Å
268C96.8Very high96.5Very high0 Ų025.4 Ų25.40%015%0.152CC..  trans-72.9115.1177.9176.50000109.4V85 R86 P253 V254 S265 G266V85-C268 WeakPolarHBondContact O-CB 3.24Å; R86-C268 WeakPolarHBondContact O-CA 3.41Å; P253-C268 CarbonylContact C-O 3.5Å; P253-C268 WeakPolarHBondContact CA-O 3.22Å; V254-C268 HydrophobicContact CB-CB 4.22Å; V254-C268 HydrophobicContact CG1-CB 3.8Å; V254-C268 PolarHBondContact N-O 2.89Å; S265-C268 WeakPolarHBondContact O-CB 3.45Å; S265-C268 PolarHBondContact O-N 3.14Å; G266-C268 VanDerWaalsContact C-N 3.33Å
269S97.6Very high96.3Very high27 Ų2725.3 Ų25.319%0.18915%0.151CC..EExtended strand (participates in β ladder)trans-85140179.5-670000112R86 A87 L88 S267R86-S269 PolarHBondContact O-N 3.4Å; R86-S269 VanDerWaalsContact O-N 3.08Å; A87-S269 CarbonylContact C-O 2.96Å; A87-S269 WeakPolarHBondContact CA-O 3.42Å; L88-S269 PolarHBondContact N-O 2.93Å; S267-S269 PolarHBondContact O-N 2.86Å
270I98.4Very high96Very high0 Ų023.1 Ų23.10%014%0.143CC..EExtended strand (participates in β ladder)trans-96.1111.9168.7-50.9-52.9000108.1L88 F200 L201 L251 G252 V254 F273L88-I270 HydrophobicContact CB-CD1 4.05Å; L88-I270 HydrophobicContact CD2-CD1 4.12Å; L88-I270 CarbonylContact O-C 3.57Å; L88-I270 WeakPolarHBondContact O-CA 2.94Å; F200-I270 HydrophobicContact CB-CD1 3.78Å; F200-I270 HydrophobicContact CB-CG1 4.12Å; F200-I270 HydrophobicContact CB-CG2 4.47Å; F200-I270 HydrophobicContact CD1-CD1 4.34Å; F200-I270 HydrophobicContact CG-CD1 4.42Å; L201-I270 HydrophobicContact CD2-CB 3.73Å; L201-I270 HydrophobicContact CD2-CG1 3.79Å; L201-I270 HydrophobicContact CD2-CG2 4.26Å; L201-I270 HydrophobicContact CG-CB 4.11Å; L201-I270 HydrophobicContact CG-CG1 4.17Å; L201-I270 HydrophobicContact CG-CG2 4.1Å; L251-I270 PolarHBondContact N-O 3.35Å; G252-I270 PolarHBondContact O-N 2.7Å; V254-I270 HydrophobicContact CB-CD1 4.03Å; V254-I270 HydrophobicContact CB-CG1 4.45Å; V254-I270 HydrophobicContact CG2-CD1 4.17Å; I270-F273 HydrophobicContact CG2-CE1 4.26Å
271V98.4Very high95.8Very high0 Ų016.3 Ų16.30%011%0.111CC..EExtended strand (participates in β ladder)trans-87.3141.8171.1177.40000108.2L88 S89 A249 V250 F273L88-V271 PolarHBondContact O-N 2.87Å; S89-V271 PolarHBondContact OG-O 3.37Å; A249-V271 CarbonylContact O-C 3.51Å; A249-V271 WeakPolarHBondContact O-CA 3.3Å; V250-V271 HydrophobicContact CG2-CG2 4.21Å; V271-F273 PolarHBondContact O-N 2.86Å
272A98.4Very high95.6Very high0 Ų014.5 Ų14.50%010%0.104CC..  trans-45.2132.1-177.400000112S89 D208 A249 L251 R472S89-A272 PolarHBondContact OG-O 2.62Å; D208-A272 HydrophobicContact CB-CB 4.31Å; A249-A272 PolarHBondContact O-N 3.35Å; L251-A272 HydrophobicContact CD1-CB 4.2Å; L251-A272 HydrophobicContact CD2-CB 4.22Å; L251-A272 HydrophobicContact CG-CB 4.17Å; A272-R472 PolarHBondContact O-NH1 3.42Å; A272-R472 PolarHBondContact O-NH2 3.42Å
273F98.5Very high95.3Very high7 Ų714 Ų143%0.03110%0.103CC..  trans-76.8159.4173-79.337.4000108.9L6 L88 S89 G90 S193 A197 F200 I270 V271L6-F273 HydrophobicContact CB-CE2 4.4Å; L88-F273 HydrophobicContact CD2-CE1 3.37Å; L88-F273 HydrophobicContact CD2-CZ 3.41Å; L88-F273 VanDerWaalsContact CD2-CZ 3.41Å; S89-F273 VanDerWaalsContact C-CE1 3.42Å; G90-F273 VanDerWaalsContact CA-CD2 3.48Å; G90-F273 VanDerWaalsContact O-CA 3.27Å; G90-F273 WeakPolarHBondContact O-CA 3.44Å; G90-F273 WeakPolarHBondContact O-CB 3.47Å; S193-F273 VanDerWaalsContact O-CB 3.23Å; S193-F273 WeakPolarHBondContact O-CB 3.38Å; S193-F273 WeakPolarHBondContact O-CD2 3.27Å; A197-F273 HydrophobicContact CB-CB 4.1Å; A197-F273 HydrophobicContact CB-CD1 3.62Å; A197-F273 HydrophobicContact CB-CD2 4.42Å; A197-F273 HydrophobicContact CB-CE1 4.07Å; A197-F273 HydrophobicContact CB-CG 3.8Å; F200-F273 HydrophobicContact CD2-CZ 4.34Å; I270-F273 HydrophobicContact CG2-CE1 4.26Å; V271-F273 PolarHBondContact O-N 2.86Å
274T98.4Very high94.9Very high0 Ų012.9 Ų12.90%09%0.088CC..EExtended strand (participates in β ladder)trans-137.7-176.2179.8-164.40000111.3G90 S91 G92 S193 D208 P278 A279 R472G90-T274 PolarHBondContact O-N 2.95Å; S91-T274 CarbonylContact C-O 3.45Å; S91-T274 WeakPolarHBondContact CA-O 2.97Å; G92-T274 PolarHBondContact N-O 3.48Å; S193-T274 WeakPolarHBondContact CB-O 3.48Å; D208-T274 PolarHBondContact OD1-OG1 3.05Å; D208-T274 VanDerWaalsContact OD2-CB 3.22Å; D208-T274 WeakPolarHBondContact OD2-CB 3.43Å; D208-T274 PolarHBondContact OD2-OG1 2.86Å; T274-P278 HydrophobicContact CG2-CB 4.01Å; T274-P278 WeakPolarHBondContact OG1-CB 3.41Å; T274-A279 HydrophobicContact CG2-CB 3.91Å; T274-R472 VanDerWaalsContact CG2-CZ 3.47Å
275G95.9Very high94.5Very high0 Ų013.7 Ų13.70%09%0.094CC..EExtended strand (participates in β ladder)trans-70.8156.9175.200000112.3G92 D211 N277 P278 A279G92-G275 CarbonylContact O-C 3.5Å; D211-G275 VanDerWaalsContact CG-CA 3.49Å; D211-G275 WeakPolarHBondContact OD1-CA 3.39Å; G275-N277 PolarHBondContact O-N 2.75Å; G275-P278 WeakPolarHBondContact O-CD 3.25Å; G275-A279 VanDerWaalsContact O-CB 3.27Å; G275-A279 WeakPolarHBondContact O-CB 3.35Å; G275-A279 PolarHBondContact O-N 3.35Å
276D91.6Very high94Very high22 Ų2212 Ų1212%0.1188%0.083CC..Hα-helixtrans-62.5-37.9176.560.20.1000113.8G92 Q94 A279 S280 A465G92-D276 PolarHBondContact O-N 3.4Å; Q94-D276 WeakPolarHBondContact CG-OD1 3.11Å; D276-A279 PolarHBondContact O-N 3.19Å; D276-S280 WeakPolarHBondContact O-CB 3.29Å; D276-S280 PolarHBondContact O-N 3.18Å; D276-S280 PolarHBondContact O-OG 2.94Å; D276-A465 HydrophobicContact CB-CB 4.26Å; D276-A465 WeakPolarHBondContact O-CB 3.46Å
277N92.1Very high93.6Very high44 Ų4413.6 Ų13.624%0.2358%0.08CC..Hα-helixtrans-68.2-49.2173.7-66.8-54.1000112.8Q94 G275 A279 S280 L281 F302 L329Q94-N277 PolarHBondContact OE1-ND2 3.27Å; G275-N277 PolarHBondContact O-N 2.75Å; N277-A279 VanDerWaalsContact C-N 3.3Å; N277-A279 PolarHBondContact O-N 3.29Å; N277-S280 WeakPolarHBondContact O-CB 3.23Å; N277-S280 PolarHBondContact O-N 2.81Å; N277-S280 VanDerWaalsContact O-N 3.07Å; N277-L281 PolarHBondContact O-N 3.49Å; N277-F302 HydrophobicContact CB-CE1 3.85Å; N277-L329 HydrophobicContact CB-CD1 3.55Å; N277-L329 HydrophobicContact CB-CD2 4.12Å; N277-L329 HydrophobicContact CB-CG 4.47Å
278P95.4Very high93.2Very high0 Ų016.9 Ų16.90%09%0.088CC..Hα-helixtrans-52.2-45.5168.2-29.633.5000113.8S210 T274 G275 S280 L281 A282 P320 M327S210-P278 VanDerWaalsContact OG-CB 3.3Å; S210-P278 WeakPolarHBondContact OG-CB 3.5Å; S210-P278 VanDerWaalsContact OG-CG 3.24Å; S210-P278 WeakPolarHBondContact OG-CG 3.39Å; T274-P278 HydrophobicContact CG2-CB 4.01Å; T274-P278 WeakPolarHBondContact OG1-CB 3.41Å; G275-P278 WeakPolarHBondContact O-CD 3.25Å; P278-S280 VanDerWaalsContact C-N 3.28Å; P278-S280 PolarHBondContact O-N 3.06Å; P278-L281 WeakPolarHBondContact O-CB 3.45Å; P278-L281 PolarHBondContact O-N 3.24Å; P278-A282 PolarHBondContact O-N 2.9Å; P278-A282 VanDerWaalsContact O-N 3.08Å; P278-P320 HydrophobicContact CB-CB 3.95Å; P278-P320 HydrophobicContact CB-CG 3.79Å; P278-P320 WeakPolarHBondContact O-CG 3.36Å; P278-M327 HydrophobicContact CB-SD 3.97Å; P278-M327 HydrophobicContact CG-SD 3.92Å
279A94.3Very high92.7Very high0 Ų017.8 Ų17.80%010%0.098CC..Hα-helixtrans-65-33.6177.100000111.9T274 G275 D276 N277 A282 G283 A465 G468T274-A279 HydrophobicContact CG2-CB 3.91Å; G275-A279 VanDerWaalsContact O-CB 3.27Å; G275-A279 WeakPolarHBondContact O-CB 3.35Å; G275-A279 PolarHBondContact O-N 3.35Å; D276-A279 PolarHBondContact O-N 3.19Å; N277-A279 VanDerWaalsContact C-N 3.3Å; N277-A279 PolarHBondContact O-N 3.29Å; A279-A282 PolarHBondContact O-N 3.5Å; A279-G283 PolarHBondContact O-N 3.37Å; A279-A465 HydrophobicContact CB-CB 4.3Å; A279-A465 VanDerWaalsContact CB-O 3.31Å; A279-A465 WeakPolarHBondContact CB-O 3.25Å; A279-G468 WeakPolarHBondContact O-CA 3.36Å
280S91.3Very high92.4Very high13 Ų1316.5 Ų16.59%0.0919%0.089CC..Hα-helixtrans-67-41.2175.7-62.10000111.4D276 N277 P278 A282 G283 M284 S464 A465D276-S280 WeakPolarHBondContact O-CB 3.29Å; D276-S280 PolarHBondContact O-N 3.18Å; D276-S280 PolarHBondContact O-OG 2.94Å; N277-S280 WeakPolarHBondContact O-CB 3.23Å; N277-S280 PolarHBondContact O-N 2.81Å; N277-S280 VanDerWaalsContact O-N 3.07Å; P278-S280 VanDerWaalsContact C-N 3.28Å; P278-S280 PolarHBondContact O-N 3.06Å; S280-A282 VanDerWaalsContact C-N 3.31Å; S280-A282 PolarHBondContact O-N 2.59Å; S280-G283 PolarHBondContact O-N 3.45Å; S280-G283 VanDerWaalsContact O-N 3.12Å; S280-M284 WeakPolarHBondContact O-CB 3.4Å; S280-M284 WeakPolarHBondContact O-CE 3.14Å; S280-M284 WeakPolarHBondContact O-CG 3.17Å; S280-M284 PolarHBondContact O-N 3.01Å; S280-S464 PolarHBondContact OG-OG 3.05Å; S280-A465 WeakPolarHBondContact OG-CA 3.39Å; S280-A465 WeakPolarHBondContact OG-CB 3.22Å; S280-A465 PolarHBondContact OG-N 3.36Å
281L93.1Very high92.2Very high0 Ų016.5 Ų16.50%09%0.089CC..Hα-helixtrans-56.9-46.5173.3-179.7150.1000111N277 P278 G283 M284 C285 L286 P320 V321 M327N277-L281 PolarHBondContact O-N 3.49Å; P278-L281 WeakPolarHBondContact O-CB 3.45Å; P278-L281 PolarHBondContact O-N 3.24Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 3.37Å; L281-M284 PolarHBondContact O-N 3.24Å; L281-C285 PolarHBondContact O-N 3.37Å; L281-L286 HydrophobicContact CD1-CD1 4.24Å; L281-L286 HydrophobicContact CG-CB 4.25Å; L281-L286 HydrophobicContact CG-CD1 4.01Å; L281-L286 HydrophobicContact CG-CG 4.34Å; L281-P320 HydrophobicContact CD2-CG 4.23Å; L281-V321 HydrophobicContact CD2-CG2 4.06Å; L281-M327 HydrophobicContact CB-CE 4.18Å; L281-M327 HydrophobicContact CD1-CB 3.52Å; L281-M327 HydrophobicContact CD1-CE 3.82Å; L281-M327 HydrophobicContact CD1-CG 4.34Å; L281-M327 HydrophobicContact CD1-SD 3.97Å
282A93Very high92Very high0 Ų016.5 Ų16.50%09%0.089CC..Hα-helixtrans-61.5-41.2175.100000111.9P278 A279 S280 M284 C285 V321 R472 F485P278-A282 PolarHBondContact O-N 2.9Å; P278-A282 VanDerWaalsContact O-N 3.08Å; A279-A282 PolarHBondContact O-N 3.5Å; S280-A282 VanDerWaalsContact C-N 3.31Å; S280-A282 PolarHBondContact O-N 2.59Å; A282-M284 VanDerWaalsContact C-N 3.33Å; A282-M284 PolarHBondContact O-N 2.78Å; A282-C285 PolarHBondContact O-N 2.88Å; A282-C285 VanDerWaalsContact O-N 3.15Å; A282-V321 HydrophobicContact CB-CG1 3.65Å; A282-R472 HydrophobicContact CB-CG 3.96Å; A282-F485 HydrophobicContact CB-CE1 4.34Å; A282-F485 HydrophobicContact CB-CE2 4.47Å; A282-F485 HydrophobicContact CB-CZ 3.81Å; A282-F485 WeakPolarHBondContact O-CE1 3.41Å; A282-F485 WeakPolarHBondContact O-CZ 3.32Å
283G91.2Very high91.9Very high2 Ų216.5 Ų16.52%0.0219%0.089CC..Hα-helixtrans-67.3-32.8179.200000113.4A279 S280 L281 C285 L461A279-G283 PolarHBondContact O-N 3.37Å; S280-G283 PolarHBondContact O-N 3.45Å; S280-G283 VanDerWaalsContact O-N 3.12Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 3.37Å; G283-C285 PolarHBondContact O-N 3.09Å; G283-L461 WeakPolarHBondContact O-CD1 3.45Å
284M89.3Confident91.6Very high11 Ų1118 Ų185%0.05410%0.1CC..THydrogen-bonded Turntrans-78.9-5.2174.7-68.6-177.4-64.600113.2S280 L281 A282 L286 A292 F302 L433 L461S280-M284 WeakPolarHBondContact O-CB 3.4Å; S280-M284 WeakPolarHBondContact O-CE 3.14Å; S280-M284 WeakPolarHBondContact O-CG 3.17Å; S280-M284 PolarHBondContact O-N 3.01Å; L281-M284 PolarHBondContact O-N 3.24Å; A282-M284 VanDerWaalsContact C-N 3.33Å; A282-M284 PolarHBondContact O-N 2.78Å; M284-L286 VanDerWaalsContact C-N 3.26Å; M284-L286 HydrophobicContact CB-CD2 4.13Å; M284-L286 HydrophobicContact CB-CG 4.09Å; M284-L286 HydrophobicContact CE-CD1 4.37Å; M284-L286 PolarHBondContact O-N 3.44Å; M284-A292 HydrophobicContact CE-CB 3.58Å; M284-A292 HydrophobicContact SD-CB 3.47Å; M284-A292 WeakPolarHBondContact SD-CB 3.09Å; M284-F302 HydrophobicContact CE-CB 4.38Å; M284-F302 HydrophobicContact CE-CD1 4.12Å; M284-F302 HydrophobicContact CE-CD2 4.05Å; M284-F302 HydrophobicContact CE-CE1 4.44Å; M284-F302 HydrophobicContact CE-CE2 4.39Å; M284-F302 HydrophobicContact CE-CG 3.93Å; M284-L433 HydrophobicContact CB-CD2 4.21Å; M284-L433 WeakPolarHBondContact O-CD2 3.28Å; M284-L461 HydrophobicContact CG-CD1 3.99Å
285C88.9Confident91.3Very high25 Ų2518 Ų1817%0.16910%0.1CC..THydrogen-bonded Turntrans51.842.8179.4-55.50000112.8L281 A282 G283 H287 R431 L486 L489L281-C285 PolarHBondContact O-N 3.37Å; A282-C285 PolarHBondContact O-N 2.88Å; A282-C285 VanDerWaalsContact O-N 3.15Å; G283-C285 PolarHBondContact O-N 3.09Å; C285-H287 PolarHBondContact O-CD2 2.85Å; C285-H287 VanDerWaalsContact O-CD2 3.29Å; C285-H287 PolarHBondContact O-N 3.2Å; C285-R431 PolarHBondContact O-NH2 3.09Å; C285-L486 HydrophobicContact CB-CD2 4.32Å; C285-L489 VanDerWaalsContact SG-CD1 3.59Å
286L86.3Confident90.9Very high3 Ų319 Ų192%0.01611%0.111CC..PPolyproline II helixtrans-65.5127-179.5-63.2-171.7000110.8L281 M284 D290 A292 F302 L433L281-L286 HydrophobicContact CD1-CD1 4.24Å; L281-L286 HydrophobicContact CG-CB 4.25Å; L281-L286 HydrophobicContact CG-CD1 4.01Å; L281-L286 HydrophobicContact CG-CG 4.34Å; M284-L286 VanDerWaalsContact C-N 3.26Å; M284-L286 HydrophobicContact CB-CD2 4.13Å; M284-L286 HydrophobicContact CB-CG 4.09Å; M284-L286 HydrophobicContact CE-CD1 4.37Å; M284-L286 PolarHBondContact O-N 3.44Å; L286-D290 HydrophobicContact CB-CB 4.24Å; L286-D290 HydrophobicContact CD2-CB 4.09Å; L286-A292 HydrophobicContact CD1-CB 3.88Å; L286-A292 HydrophobicContact CD2-CB 4.11Å; L286-F302 HydrophobicContact CD1-CB 4.06Å; L286-L433 HydrophobicContact CD2-CB 4.39Å; L286-L433 HydrophobicContact CD2-CD1 3.77Å; L286-L433 HydrophobicContact CD2-CD2 3.83Å; L286-L433 HydrophobicContact CD2-CG 4.2Å
287H84.5Confident90.5Very high70 Ų7021.8 Ų21.832%0.32413%0.129SC..PPolyproline II helixtrans-80.2166.6171.1-59.2178.6000110C285 G289 D290 S304 R431 L486C285-H287 PolarHBondContact O-CD2 2.85Å; C285-H287 VanDerWaalsContact O-CD2 3.29Å; C285-H287 PolarHBondContact O-N 3.2Å; H287-G289 PolarHBondContact O-N 2.92Å; H287-D290 VanDerWaalsContact CB-OD2 3.31Å; H287-D290 WeakPolarHBondContact CB-OD2 3.16Å; H287-D290 IonicContact CG-OD2 3.78Å; H287-D290 PolarHBondContact N-OD2 3.49Å; H287-D290 WeakPolarHBondContact O-CB 3.31Å; H287-D290 PolarHBondContact O-N 3.37Å; H287-S304 WeakPolarHBondContact O-CB 3.32Å; H287-S304 PolarHBondContact O-OG 3.41Å; H287-R431 PolarHBondContact CD2-NH2 3Å; H287-R431 PolarHBondContact CE1-NH2 2.81Å; H287-R431 VanDerWaalsContact CE1-NH2 3.26Å; H287-R431 PolarHBondContact ND1-NH2 2.94Å; H287-R431 PolarHBondContact NE2-NH2 3.12Å; H287-R431 VanDerWaalsContact NE2-NH2 3.13Å; H287-L486 HydrophobicContact CB-CD1 4.28Å; H287-L486 WeakPolarHBondContact CD2-CD1 3.27Å; H287-L486 WeakPolarHBondContact CD2-CD2 3.41Å
288Q84.2Confident90.3Very high130 Ų13022.1 Ų22.161%0.60713%0.134SC*.THydrogen-bonded Turntrans-57.1129.1167-170.4-1772.600110.4D290 S306Q288-D290 VanDerWaalsContact C-N 3.3Å; Q288-S306 PolarHBondContact NE2-OG 3.11Å
289G86.1Confident90.2Very high19 Ų1922.1 Ų22.120%0.19613%0.134CC..THydrogen-bonded Turntrans81.22.5-176.800000115.1H287 Y424 T430H287-G289 PolarHBondContact O-N 2.92Å; G289-Y424 PolarHBondContact O-OH 3.21Å; G289-Y424 VanDerWaalsContact O-OH 3.12Å; G289-T430 WeakPolarHBondContact O-CB 3.23Å; G289-T430 WeakPolarHBondContact O-CG2 3.34Å; G289-T430 PolarHBondContact O-OG1 2.92Å
290D91.5Very high90.2Very high1 Ų123.5 Ų23.51%0.00514%0.143CC..  trans-82.6159.6167.1-71.9-17.3000111.9L286 H287 Q288 S304 R431L286-D290 HydrophobicContact CB-CB 4.24Å; L286-D290 HydrophobicContact CD2-CB 4.09Å; H287-D290 VanDerWaalsContact CB-OD2 3.31Å; H287-D290 WeakPolarHBondContact CB-OD2 3.16Å; H287-D290 IonicContact CG-OD2 3.78Å; H287-D290 PolarHBondContact N-OD2 3.49Å; H287-D290 WeakPolarHBondContact O-CB 3.31Å; H287-D290 PolarHBondContact O-N 3.37Å; Q288-D290 VanDerWaalsContact C-N 3.3Å; D290-S304 PolarHBondContact O-N 3.22Å; D290-R431 WeakPolarHBondContact CA-O 3.37Å; D290-R431 VanDerWaalsContact OD1-CB 3.26Å; D290-R431 WeakPolarHBondContact OD1-CB 3.33Å; D290-R431 WeakPolarHBondContact OD1-CG 3.38Å; D290-R431 PolarHBondContact OD1-N 2.95Å; D290-R431 IonicContact OD1-NE 2.75Å; D290-R431 PolarHBondContact OD1-NE 3.09Å; D290-R431 IonicContact OD2-CZ 3.6Å; D290-R431 VanDerWaalsContact OD2-CZ 3.26Å; D290-R431 IonicContact OD2-NE 3.83Å; D290-R431 PolarHBondContact OD2-NE 3.48Å; D290-R431 IonicContact OD2-NH2 2.6Å; D290-R431 PolarHBondContact OD2-NH2 2.81Å
291I94.5Very high90.4Very high0 Ų022.9 Ų22.90%014%0.138CC..EExtended strand (participates in β ladder)trans-125.5143.4172.6-53.7-178.8000108.8V293 L301 F302 L303 Y424 R431 V432 L433 F452I291-V293 HydrophobicContact CG2-CG2 4.18Å; I291-L301 HydrophobicContact CG2-CD1 3.36Å; I291-L301 HydrophobicContact CG2-CG 3.93Å; I291-F302 WeakPolarHBondContact CA-O 3.45Å; I291-L303 HydrophobicContact CB-CD2 4.4Å; I291-L303 HydrophobicContact CD1-CD2 4.2Å; I291-L303 HydrophobicContact CG1-CD2 3.88Å; I291-L303 HydrophobicContact CG2-CD2 4Å; I291-Y424 HydrophobicContact CD1-CD1 4.2Å; I291-Y424 HydrophobicContact CD1-CE1 3.44Å; I291-Y424 VanDerWaalsContact CD1-CE1 3.44Å; I291-Y424 HydrophobicContact CD1-CE2 3.98Å; I291-Y424 WeakPolarHBondContact CD1-OH 3.2Å; I291-Y424 HydrophobicContact CG1-CD2 4.38Å; I291-Y424 HydrophobicContact CG1-CE1 4.01Å; I291-Y424 HydrophobicContact CG1-CE2 3.56Å; I291-Y424 VanDerWaalsContact CG1-OH 3.3Å; I291-Y424 WeakPolarHBondContact CG1-OH 3.26Å; I291-R431 PolarHBondContact N-O 3.07Å; I291-V432 CarbonylContact O-C 3.38Å; I291-V432 WeakPolarHBondContact O-CA 3.47Å; I291-L433 PolarHBondContact O-N 3.11Å; I291-F452 HydrophobicContact CD1-CD1 3.28Å; I291-F452 HydrophobicContact CD1-CE1 3.17Å; I291-F452 HydrophobicContact CD1-CG 4.32Å; I291-F452 HydrophobicContact CD1-CZ 4.15Å
292A94.6Very high90.5Very high0 Ų023.4 Ų23.40%014%0.14CC..EExtended strand (participates in β ladder)trans-113.9141.1156.600000112.2M284 L286 L301 F302 L433M284-A292 HydrophobicContact CE-CB 3.58Å; M284-A292 HydrophobicContact SD-CB 3.47Å; M284-A292 WeakPolarHBondContact SD-CB 3.09Å; L286-A292 HydrophobicContact CD1-CB 3.88Å; L286-A292 HydrophobicContact CD2-CB 4.11Å; A292-L301 CarbonylContact O-C 3.59Å; A292-L301 WeakPolarHBondContact O-CA 3.19Å; A292-F302 HydrophobicContact CB-CB 4.07Å; A292-F302 HydrophobicContact CB-CD2 4.13Å; A292-F302 HydrophobicContact CB-CG 4.4Å; A292-F302 PolarHBondContact N-O 3.08Å; A292-F302 PolarHBondContact O-N 2.9Å; A292-L433 CarbonylContact C-O 3.52Å; A292-L433 VanDerWaalsContact CA-O 3.22Å; A292-L433 WeakPolarHBondContact CA-O 3.14Å; A292-L433 HydrophobicContact CB-CB 4.18Å
293V94.6Very high90.6Very high0 Ų023.4 Ų23.40%014%0.14CC..EExtended strand (participates in β ladder)trans-119110.6174.4-161.40000108.6I291 L295 L301 V432 L433 A434 T435 L448I291-V293 HydrophobicContact CG2-CG2 4.18Å; V293-L295 HydrophobicContact CG1-CD2 3.64Å; V293-L295 HydrophobicContact CG1-CG 4.05Å; V293-L301 HydrophobicContact CB-CD1 4.34Å; V293-L301 HydrophobicContact CG1-CD1 4.32Å; V293-L301 HydrophobicContact CG2-CD1 3.69Å; V293-V432 HydrophobicContact CG2-CG1 3.96Å; V293-L433 PolarHBondContact N-O 2.91Å; V293-A434 WeakPolarHBondContact O-CA 3.49Å; V293-T435 PolarHBondContact O-N 2.99Å; V293-L448 HydrophobicContact CG2-CD1 3.96Å; V293-L448 HydrophobicContact CG2-CD2 4.03Å
294S92.1Very high90.7Very high37 Ų3723.5 Ų23.526%0.25914%0.141SC..EExtended strand (participates in β ladder)trans-88.4115.7168.6-176.30000109.1D299 T300S294-D299 CarbonylContact O-C 3.5Å; S294-D299 WeakPolarHBondContact O-CA 3.35Å; S294-T300 PolarHBondContact N-O 2.8Å; S294-T300 PolarHBondContact O-N 3.47Å
295L93.1Very high90.8Very high1 Ų123.3 Ų23.31%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-103.194.5-174.9-61.3167.8000110.7V293 D299 F412 T435 G436 G437 A438 L445V293-L295 HydrophobicContact CG1-CD2 3.64Å; V293-L295 HydrophobicContact CG1-CG 4.05Å; L295-D299 VanDerWaalsContact CA-OD1 3.28Å; L295-D299 WeakPolarHBondContact CA-OD1 3.45Å; L295-D299 WeakPolarHBondContact CD2-OD2 3.31Å; L295-F412 HydrophobicContact CD2-CE1 4.11Å; L295-F412 HydrophobicContact CD2-CZ 4.46Å; L295-T435 WeakPolarHBondContact CB-O 3.33Å; L295-T435 PolarHBondContact N-O 2.85Å; L295-G436 CarbonylContact O-C 3.55Å; L295-G436 WeakPolarHBondContact O-CA 3.36Å; L295-G437 PolarHBondContact O-N 3.04Å; L295-A438 HydrophobicContact CB-CB 3.78Å; L295-A438 HydrophobicContact CD1-CB 3.94Å; L295-A438 HydrophobicContact CG-CB 4.42Å; L295-L445 HydrophobicContact CD1-CD2 4.36Å
296G88.5Confident91Very high22 Ų2225.1 Ų25.123%0.22715%0.153CC..SBendtrans-135.4-159.7-171.900000113.1S298 D299 S336G296-S298 CarbonylContact C-O 3.48Å; G296-S298 PolarHBondContact N-O 3.42Å; G296-S298 PolarHBondContact O-N 3.35Å; G296-D299 PolarHBondContact N-OD1 2.8Å; G296-S336 VanDerWaalsContact O-CB 3.23Å; G296-S336 WeakPolarHBondContact O-CB 3.36Å; G296-S336 PolarHBondContact O-N 2.9Å; G296-S336 PolarHBondContact O-OG 2.86Å
297T82.3Confident91.3Very high80 Ų8032.2 Ų32.249%0.49119%0.186SC..SBendtrans-51.5-47.4173.6-55.70000110.7G335 S336 L337T297-G335 WeakPolarHBondContact O-CA 3.34Å; T297-G335 PolarHBondContact O-N 2.82Å; T297-S336 WeakPolarHBondContact CA-OG 3.32Å; T297-L337 HydrophobicContact CG2-CD1 4.05Å; T297-L337 HydrophobicContact CG2-CG 4.32Å
298S87.1Confident91.8Very high51 Ų5129 Ų2936%0.35717%0.172SC..SBendtrans-110.8146.4159.2-59.80000107.5G296 F332 K333G296-S298 CarbonylContact C-O 3.48Å; G296-S298 PolarHBondContact N-O 3.42Å; G296-S298 PolarHBondContact O-N 3.35Å; S298-F332 CarbonylContact C-O 3.57Å; S298-F332 WeakPolarHBondContact CA-O 3.32Å; S298-F332 VanDerWaalsContact CB-O 3.25Å; S298-F332 WeakPolarHBondContact CB-O 3.27Å; S298-K333 PolarHBondContact OG-O 3.32Å
299D94.7Very high92.5Very high0 Ų030.8 Ų30.80%017%0.173CC..EExtended strand (participates in β ladder)trans-93.9142.6174.4-64.5-12.3000109.5S294 L295 G296 F332 R339 R415S294-D299 CarbonylContact O-C 3.5Å; S294-D299 WeakPolarHBondContact O-CA 3.35Å; L295-D299 VanDerWaalsContact CA-OD1 3.28Å; L295-D299 WeakPolarHBondContact CA-OD1 3.45Å; L295-D299 WeakPolarHBondContact CD2-OD2 3.31Å; G296-D299 PolarHBondContact N-OD1 2.8Å; D299-F332 HydrophobicContact CB-CB 4.35Å; D299-F332 PolarHBondContact N-O 2.83Å; D299-F332 PolarHBondContact O-N 2.89Å; D299-R339 IonicContact OD1-CZ 2.79Å; D299-R339 IonicContact OD1-NH1 3.52Å; D299-R339 IonicContact OD1-NH2 3.67Å; D299-R339 PolarHBondContact OD1-NH2 3.22Å; D299-R339 IonicContact OD2-CZ 2.88Å; D299-R339 IonicContact OD2-NH1 3.62Å; D299-R339 PolarHBondContact OD2-NH1 3.25Å; D299-R339 IonicContact OD2-NH2 3.06Å; D299-R415 IonicContact OD2-CZ 3.62Å; D299-R415 IonicContact OD2-NE 3.4Å; D299-R415 IonicContact OD2-NH2 2.67Å; D299-R415 PolarHBondContact OD2-NH2 2.91Å
300T93.3Very high93Very high28 Ų2830.4 Ų30.417%0.17217%0.167CC..EExtended strand (participates in β ladder)trans-126.2128.5178.7-53.80000109.7S294 F302 L329 L330S294-T300 PolarHBondContact N-O 2.8Å; S294-T300 PolarHBondContact O-N 3.47Å; T300-F302 HydrophobicContact CG2-CD2 4.26Å; T300-F302 HydrophobicContact CG2-CE2 3.67Å; T300-F302 HydrophobicContact CG2-CZ 3.84Å; T300-L329 HydrophobicContact CG2-CD2 4.47Å; T300-L330 WeakPolarHBondContact CA-O 3.31Å
301L95.8Very high93.2Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-98.1132.1173.2-158.967.1000109.5I291 A292 V293 L303 L329 L330 F332 R415 A419I291-L301 HydrophobicContact CG2-CD1 3.36Å; I291-L301 HydrophobicContact CG2-CG 3.93Å; A292-L301 CarbonylContact O-C 3.59Å; A292-L301 WeakPolarHBondContact O-CA 3.19Å; V293-L301 HydrophobicContact CB-CD1 4.34Å; V293-L301 HydrophobicContact CG1-CD1 4.32Å; V293-L301 HydrophobicContact CG2-CD1 3.69Å; L301-L303 HydrophobicContact CD2-CD1 4.43Å; L301-L303 HydrophobicContact CD2-CD2 3.81Å; L301-L303 HydrophobicContact CD2-CG 4.28Å; L301-L303 HydrophobicContact CG-CD2 3.95Å; L301-L303 HydrophobicContact CG-CG 4.35Å; L301-L329 VanDerWaalsContact O-CA 3.32Å; L301-L329 WeakPolarHBondContact O-CA 3.22Å; L301-L330 HydrophobicContact CB-CB 4.06Å; L301-L330 HydrophobicContact CD2-CD1 4.04Å; L301-L330 PolarHBondContact N-O 3.34Å; L301-L330 PolarHBondContact O-N 3.34Å; L301-L330 VanDerWaalsContact O-N 3.11Å; L301-F332 HydrophobicContact CB-CE2 4.36Å; L301-R415 HydrophobicContact CD2-CB 4.27Å; L301-A419 HydrophobicContact CD2-CB 3.85Å
302F95.6Very high93.2Very high11 Ų1135.1 Ų35.15%0.04819%0.194CC..EExtended strand (participates in β ladder)trans-112.8126.4171.9-57.3-105.8000108N277 M284 L286 I291 A292 T300 M327 A328 L329N277-F302 HydrophobicContact CB-CE1 3.85Å; M284-F302 HydrophobicContact CE-CB 4.38Å; M284-F302 HydrophobicContact CE-CD1 4.12Å; M284-F302 HydrophobicContact CE-CD2 4.05Å; M284-F302 HydrophobicContact CE-CE1 4.44Å; M284-F302 HydrophobicContact CE-CE2 4.39Å; M284-F302 HydrophobicContact CE-CG 3.93Å; L286-F302 HydrophobicContact CD1-CB 4.06Å; I291-F302 WeakPolarHBondContact CA-O 3.45Å; A292-F302 HydrophobicContact CB-CB 4.07Å; A292-F302 HydrophobicContact CB-CD2 4.13Å; A292-F302 HydrophobicContact CB-CG 4.4Å; A292-F302 PolarHBondContact N-O 3.08Å; A292-F302 PolarHBondContact O-N 2.9Å; T300-F302 HydrophobicContact CG2-CD2 4.26Å; T300-F302 HydrophobicContact CG2-CE2 3.67Å; T300-F302 HydrophobicContact CG2-CZ 3.84Å; F302-M327 HydrophobicContact CD1-CE 4.33Å; F302-A328 WeakPolarHBondContact CA-O 3.46Å; F302-L329 HydrophobicContact CB-CD2 4.5Å; F302-L329 HydrophobicContact CD1-CD2 3.3Å; F302-L329 HydrophobicContact CE1-CD2 3.55Å; F302-L329 HydrophobicContact CG-CD2 3.96Å; F302-L329 HydrophobicContact CZ-CD2 4.36Å
303L95Very high93.1Very high0 Ų036.9 Ų36.90%020%0.202CC..EExtended strand (participates in β ladder)trans-118.1139.9179.9-55.7173.5000109.4I291 L301 L305 M327 A328 L330 A419 L422 Y424I291-L303 HydrophobicContact CB-CD2 4.4Å; I291-L303 HydrophobicContact CD1-CD2 4.2Å; I291-L303 HydrophobicContact CG1-CD2 3.88Å; I291-L303 HydrophobicContact CG2-CD2 4Å; L301-L303 HydrophobicContact CD2-CD1 4.43Å; L301-L303 HydrophobicContact CD2-CD2 3.81Å; L301-L303 HydrophobicContact CD2-CG 4.28Å; L301-L303 HydrophobicContact CG-CD2 3.95Å; L301-L303 HydrophobicContact CG-CG 4.35Å; L303-L305 HydrophobicContact CB-CD2 4.11Å; L303-L305 HydrophobicContact CB-CG 4.11Å; L303-M327 CarbonylContact O-C 3.17Å; L303-M327 WeakPolarHBondContact O-CA 3.4Å; L303-M327 WeakPolarHBondContact O-CB 3.44Å; L303-A328 HydrophobicContact CB-CB 4.17Å; L303-A328 HydrophobicContact CD1-CB 4.18Å; L303-A328 PolarHBondContact N-O 3.47Å; L303-A328 PolarHBondContact O-N 3.48Å; L303-L330 HydrophobicContact CD1-CD1 4.27Å; L303-A419 HydrophobicContact CD1-CB 3.69Å; L303-A419 HydrophobicContact CD2-CB 3.92Å; L303-A419 HydrophobicContact CG-CB 4.47Å; L303-L422 HydrophobicContact CD1-CD1 4.43Å; L303-Y424 HydrophobicContact CD2-CD2 4.02Å; L303-Y424 HydrophobicContact CD2-CE2 4.49Å; L303-Y424 HydrophobicContact CD2-CG 4.16Å
304S92.6Very high93.2Very high5 Ų537.1 Ų37.14%0.03520%0.204CC..EExtended strand (participates in β ladder)trans-101.1119.8164.9-173.60000108.9H287 D290H287-S304 WeakPolarHBondContact O-CB 3.32Å; H287-S304 PolarHBondContact O-OG 3.41Å; D290-S304 PolarHBondContact O-N 3.22Å
305L92.3Very high93.4Very high6 Ų635.7 Ų35.73%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-124.8137.7-170.2-58.8175.8000110.7L303 P308 F326 A328 Y424L303-L305 HydrophobicContact CB-CD2 4.11Å; L303-L305 HydrophobicContact CB-CG 4.11Å; L305-P308 HydrophobicContact CD1-CB 4.05Å; L305-F326 HydrophobicContact CB-CB 4.19Å; L305-F326 PolarHBondContact N-O 3.47Å; L305-F326 WeakPolarHBondContact O-CA 3.46Å; L305-F326 PolarHBondContact O-N 3.09Å; L305-F326 VanDerWaalsContact O-O 3.14Å; L305-A328 HydrophobicContact CD1-CB 3.63Å; L305-Y424 HydrophobicContact CD2-CD2 4.14Å
306S92.1Very high93.7Very high63 Ų6335.6 Ų35.644%0.44119%0.193SC..SBendtrans-88-44.9164.3370000112.2Q288 P308 F326Q288-S306 PolarHBondContact NE2-OG 3.11Å; S306-P308 WeakPolarHBondContact O-CD 3.34Å; S306-F326 WeakPolarHBondContact O-CD2 3.39Å
307E93.2Very high94.1Very high152 Ų15234.6 Ų34.671%0.7118%0.183SC*.SBendtrans-121.286.3-176.4-67.1-171.3179.400109.7
308P95.4Very high94.9Very high4 Ų431 Ų313%0.02616%0.161CC..  trans-72.8148.9-179.832.5-38.2000111.1R221 L305 S306 P310 V316 F326R221-P308 PolarHBondContact NH2-O 3.11Å; L305-P308 HydrophobicContact CD1-CB 4.05Å; S306-P308 WeakPolarHBondContact O-CD 3.34Å; P308-P310 WeakPolarHBondContact O-CD 3.27Å; P308-V316 HydrophobicContact CB-CB 4.33Å; P308-V316 HydrophobicContact CB-CG1 3.36Å; P308-V316 HydrophobicContact CB-CG2 4.03Å; P308-V316 HydrophobicContact CG-CG1 3.78Å; P308-F326 HydrophobicContact CB-CB 4.3Å; P308-F326 HydrophobicContact CB-CG 4.33Å; P308-F326 HydrophobicContact CG-CB 3.99Å; P308-F326 HydrophobicContact CG-CD1 3.8Å; P308-F326 HydrophobicContact CG-CD2 3.6Å; P308-F326 HydrophobicContact CG-CE1 4.12Å; P308-F326 HydrophobicContact CG-CE2 3.94Å; P308-F326 HydrophobicContact CG-CG 3.51Å; P308-F326 HydrophobicContact CG-CZ 4.19Å
309R97.4Very high95.4Very high166 Ų16629 Ų2963%0.62615%0.146SC*.  trans-116.688.4168.4-61.9179.2-174.5175.11.6108.2L422R309-L422 PolarHBondContact N-O 2.91Å; R309-L422 WeakPolarHBondContact O-CA 3.34Å; R309-L422 WeakPolarHBondContact O-CD2 3.36Å
310P97.1Very high95.4Very high12 Ų1229.1 Ų29.18%0.07815%0.147CC..  trans-51.2146.7174.4-26.435.4000111.6A156 I220 P308 V316A156-P310 HydrophobicContact CB-CB 4.1Å; A156-P310 WeakPolarHBondContact O-CB 3.34Å; A156-P310 WeakPolarHBondContact O-CG 3.44Å; I220-P310 HydrophobicContact CD1-CG 4.39Å; P308-P310 WeakPolarHBondContact O-CD 3.27Å; P310-V316 HydrophobicContact CG-CG2 4.39Å
311S95.9Very high95.5Very high27 Ų2728 Ų2819%0.18914%0.14CC..  trans-141.5-179.9-177.198.50000110.8A156 E313A156-S311 WeakPolarHBondContact CB-O 3.47Å; S311-E313 PolarHBondContact O-N 2.87Å; S311-E313 PolarHBondContact OG-N 3.4Å; S311-E313 PolarHBondContact OG-O 3.08Å
312L95.3Very high95.3Very high73 Ų7330.8 Ų30.838%0.38215%0.153SC..SBendtrans-72.3-9.4172.6-58.9-175.6000112.9A152 M153 R162 Y164A152-L312 HydrophobicContact CB-CD2 3.74Å; M153-L312 HydrophobicContact CB-CD2 4.31Å; M153-L312 HydrophobicContact CE-CD1 4.28Å; M153-L312 HydrophobicContact CE-CD2 3.67Å; M153-L312 HydrophobicContact CE-CG 3.51Å; M153-L312 HydrophobicContact SD-CD2 4.45Å; R162-L312 HydrophobicContact CB-CD2 4.47Å; R162-L312 WeakPolarHBondContact CD-O 3.43Å; Y164-L312 PolarHBondContact OH-O 2.84Å
313E92.7Very high94.9Very high37 Ų3734.1 Ų34.117%0.17318%0.176CC..SBendtrans-124.5149179.9-60.9176.8-148.600110.1S311 T379 H418S311-E313 PolarHBondContact O-N 2.87Å; S311-E313 PolarHBondContact OG-N 3.4Å; S311-E313 PolarHBondContact OG-O 3.08Å; E313-T379 WeakPolarHBondContact OE2-CG2 3.49Å; E313-H418 IonicContact OE2-CE1 2.83Å; E313-H418 PolarHBondContact OE2-CE1 3.24Å; E313-H418 IonicContact OE2-ND1 3.62Å; E313-H418 PolarHBondContact OE2-ND1 3.44Å
314G94.9Very high94.7Very high4 Ų440 Ų404%0.04121%0.207CC..SBendtrans71.8178.5-17700000113.9L329G314-L329 CarbonylContact C-O 3.57Å; G314-L329 VanDerWaalsContact CA-O 3.27Å; G314-L329 WeakPolarHBondContact CA-O 3.48Å
315H97.6Very high94.8Very high7 Ų740.3 Ų40.33%0.03221%0.211CC..EExtended strand (participates in β ladder)trans-134.4124.8-175.9-48.2-62.7000109.7S161 Y164 R166 F167 F317 A328 L329S161-H315 WeakPolarHBondContact OG-CA 3.38Å; S161-H315 WeakPolarHBondContact OG-CB 3.34Å; S161-H315 PolarHBondContact OG-ND1 3.34Å; Y164-H315 AromaticContact CD2-CE1 3.54Å; Y164-H315 AromaticContact CD2-ND1 3.93Å; Y164-H315 AromaticContact CE2-CE1 3.3Å; Y164-H315 WeakPolarHBondContact CE2-CE1 3.38Å; Y164-H315 AromaticContact CE2-ND1 3.64Å; Y164-H315 AromaticContact CZ-CE1 3.55Å; R166-H315 PolarHBondContact NH2-CE1 3.38Å; R166-H315 PolarHBondContact NH2-NE2 3.4Å; F167-H315 AromaticContact CE1-CE1 3.95Å; F167-H315 AromaticContact CE1-ND1 3.95Å; F167-H315 AromaticContact CZ-CE1 3.91Å; F167-H315 AromaticContact CZ-ND1 3.44Å; F167-H315 WeakPolarHBondContact CZ-ND1 3.25Å; H315-F317 HydrophobicContact CB-CD1 4.34Å; H315-F317 HydrophobicContact CB-CE1 3.57Å; H315-F317 HydrophobicContact CB-CE2 4.4Å; H315-F317 HydrophobicContact CB-CZ 3.59Å; H315-A328 CarbonylContact O-C 3.46Å; H315-A328 WeakPolarHBondContact O-CA 3.35Å; H315-A328 WeakPolarHBondContact O-CB 3.39Å; H315-L329 HydrophobicContact CB-CB 4.45Å; H315-L329 PolarHBondContact N-O 2.84Å; H315-L329 PolarHBondContact O-N 2.73Å
316V98.3Very high95Very high0 Ų040.8 Ų40.80%021%0.213CC..EExtended strand (participates in β ladder)trans-102.4123.8172.2179.90000108.6G160 I220 P308 P310 F326 M327 A328 L422G160-V316 WeakPolarHBondContact CA-O 3.47Å; G160-V316 PolarHBondContact O-N 3.23Å; I220-V316 HydrophobicContact CD1-CB 4.1Å; I220-V316 HydrophobicContact CD1-CG1 3.63Å; P308-V316 HydrophobicContact CB-CB 4.33Å; P308-V316 HydrophobicContact CB-CG1 3.36Å; P308-V316 HydrophobicContact CB-CG2 4.03Å; P308-V316 HydrophobicContact CG-CG1 3.78Å; P310-V316 HydrophobicContact CG-CG2 4.39Å; V316-F326 HydrophobicContact CG1-CB 4.08Å; V316-F326 HydrophobicContact CG1-CD1 4.04Å; V316-F326 HydrophobicContact CG1-CG 4.37Å; V316-M327 CarbonylContact C-O 3.44Å; V316-M327 WeakPolarHBondContact CA-O 3.34Å; V316-A328 HydrophobicContact CG2-CB 4.3Å; V316-L422 HydrophobicContact CG2-CD2 4.48Å
317F98.4Very high95.2Very high1 Ų137.8 Ų37.80%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-119.2157.1176.9-54.9-28.5000110.8F167 H315 F326 M327 L329F167-F317 HydrophobicContact CE2-CE1 4.41Å; F167-F317 HydrophobicContact CZ-CE1 4.19Å; F167-F317 HydrophobicContact CZ-CZ 4.34Å; H315-F317 HydrophobicContact CB-CD1 4.34Å; H315-F317 HydrophobicContact CB-CE1 3.57Å; H315-F317 HydrophobicContact CB-CE2 4.4Å; H315-F317 HydrophobicContact CB-CZ 3.59Å; F317-F326 CarbonylContact O-C 3.45Å; F317-F326 VanDerWaalsContact O-CA 3.27Å; F317-F326 WeakPolarHBondContact O-CA 3.34Å; F317-F326 WeakPolarHBondContact O-CB 3.17Å; F317-M327 HydrophobicContact CB-CG 3.86Å; F317-M327 PolarHBondContact N-O 3.18Å; F317-M327 PolarHBondContact O-N 2.86Å; F317-L329 HydrophobicContact CD2-CD1 4.2Å; F317-L329 HydrophobicContact CE2-CD1 3.54Å; F317-L329 HydrophobicContact CE2-CG 4.28Å; F317-L329 HydrophobicContact CZ-CD1 4.35Å
318C98.3Very high95.4Very high4 Ų430.6 Ų30.63%0.02716%0.158CC..EExtended strand (participates in β ladder)trans-58.7139.9164.7-60.70000109.7S210 S213 I220S210-C318 WeakPolarHBondContact CA-O 3.48Å; S210-C318 WeakPolarHBondContact CB-O 3.17Å; S210-C318 PolarHBondContact OG-O 3.11Å; S213-C318 PolarHBondContact OG-N 3.43Å; I220-C318 PolarHBondContact O-SG 3.2Å; I220-C318 VanDerWaalsContact O-SG 3.41Å
319N97Very high95.4Very high9 Ų930.6 Ų30.65%0.04816%0.158CC..  trans-73135.6-179.5-170.6-56.6000110.5V321 E322 G325 F326N319-V321 VanDerWaalsContact C-N 3.31Å; N319-V321 PolarHBondContact O-N 2.91Å; N319-V321 WeakPolarHBondContact OD1-CG2 3.49Å; N319-V321 PolarHBondContact OD1-N 3.34Å; N319-E322 HydrophobicContact CB-CB 4.11Å; N319-E322 PolarHBondContact OD1-N 3.24Å; N319-G325 WeakPolarHBondContact CB-O 3.17Å; N319-G325 PolarHBondContact N-O 2.89Å; N319-F326 PolarHBondContact ND2-O 3.47Å
320P95.9Very high95.4Very high2 Ų222.8 Ų22.81%0.01313%0.129CC..SBendtrans-78.2-10.6-176.231.9-38.7000114.8S247 P278 L281 M327S247-P320 VanDerWaalsContact CB-O 3.29Å; S247-P320 WeakPolarHBondContact CB-O 3.49Å; P278-P320 HydrophobicContact CB-CB 3.95Å; P278-P320 HydrophobicContact CB-CG 3.79Å; P278-P320 WeakPolarHBondContact O-CG 3.36Å; L281-P320 HydrophobicContact CD2-CG 4.23Å; P320-M327 HydrophobicContact CG-SD 4.43Å
321V93.9Very high95.2Very high5 Ų523.8 Ų23.83%0.0314%0.136CC..SBendtrans-129.3-22.4-174.4-64.40000113.7L281 A282 N319 R472 F485L281-V321 HydrophobicContact CD2-CG2 4.06Å; A282-V321 HydrophobicContact CB-CG1 3.65Å; N319-V321 VanDerWaalsContact C-N 3.31Å; N319-V321 PolarHBondContact O-N 2.91Å; N319-V321 WeakPolarHBondContact OD1-CG2 3.49Å; N319-V321 PolarHBondContact OD1-N 3.34Å; V321-R472 HydrophobicContact CG1-CG 3.99Å; V321-F485 HydrophobicContact CB-CB 3.89Å; V321-F485 HydrophobicContact CB-CD1 3.87Å; V321-F485 HydrophobicContact CB-CD2 3.99Å; V321-F485 HydrophobicContact CB-CE1 4.37Å; V321-F485 HydrophobicContact CB-CE2 4.49Å; V321-F485 HydrophobicContact CB-CG 3.65Å; V321-F485 HydrophobicContact CG1-CB 4.44Å; V321-F485 HydrophobicContact CG1-CD1 3.88Å; V321-F485 HydrophobicContact CG1-CD2 3.58Å; V321-F485 HydrophobicContact CG1-CE1 3.91Å; V321-F485 HydrophobicContact CG1-CE2 3.63Å; V321-F485 HydrophobicContact CG1-CG 3.71Å; V321-F485 HydrophobicContact CG1-CZ 3.79Å; V321-F485 HydrophobicContact CG2-CD1 4.08Å; V321-F485 HydrophobicContact CG2-CE1 4.5Å; V321-F485 HydrophobicContact CG2-CG 4.35Å
322E91.8Very high95.2Very high59 Ų5922.6 Ų22.628%0.27613%0.127SC..SBendtrans-105.2109.3173.2-66.8-58.5147.400109.8N319 D324 G325N319-E322 HydrophobicContact CB-CB 4.11Å; N319-E322 PolarHBondContact OD1-N 3.24Å; E322-D324 VanDerWaalsContact C-N 3.26Å; E322-D324 PolarHBondContact O-N 2.96Å; E322-D324 VanDerWaalsContact O-N 3.14Å; E322-G325 PolarHBondContact O-N 3.23Å
323P87.7Confident95Very high81 Ų8123.6 Ų23.653%0.52613%0.128SC..THydrogen-bonded Turntrans-51.9-42.4-173.6-29.735.6000113.8R223R223-P323 PolarHBondContact NH1-O 2.86Å; R223-P323 PolarHBondContact NH2-O 2.89Å
324D91.6Very high95.1Very high122 Ų12222.2 Ų22.265%0.65212%0.122SC*.THydrogen-bonded Turntrans-100.62.7-178.1-59.1-38.7000114.5R223 E322R223-D324 IonicContact CZ-OD1 3.69Å; R223-D324 IonicContact NH1-OD1 3.3Å; R223-D324 IonicContact NH2-OD1 3.75Å; R223-D324 PolarHBondContact NH2-OD1 3.19Å; E322-D324 VanDerWaalsContact C-N 3.26Å; E322-D324 PolarHBondContact O-N 2.96Å; E322-D324 VanDerWaalsContact O-N 3.14Å
325G94.1Very high95.1Very high12 Ų1222 Ų2212%0.12412%0.12CC..  trans-86.1166.4178.200000112.9N319 E322N319-G325 WeakPolarHBondContact CB-O 3.17Å; N319-G325 PolarHBondContact N-O 2.89Å; E322-G325 PolarHBondContact O-N 3.23Å
326F96.6Very high95Very high17 Ų1722.8 Ų22.88%0.07513%0.126CC..EExtended strand (participates in β ladder)trans-120.7162168.1-59.4-94.1000109.3I220 L305 S306 P308 V316 F317 N319I220-F326 HydrophobicContact CB-CE1 4.14Å; I220-F326 HydrophobicContact CD1-CD1 4.16Å; I220-F326 HydrophobicContact CD1-CE1 4.03Å; I220-F326 HydrophobicContact CG1-CE1 4.18Å; I220-F326 WeakPolarHBondContact O-CE1 3.35Å; L305-F326 HydrophobicContact CB-CB 4.19Å; L305-F326 PolarHBondContact N-O 3.47Å; L305-F326 WeakPolarHBondContact O-CA 3.46Å; L305-F326 PolarHBondContact O-N 3.09Å; L305-F326 VanDerWaalsContact O-O 3.14Å; S306-F326 WeakPolarHBondContact O-CD2 3.39Å; P308-F326 HydrophobicContact CB-CB 4.3Å; P308-F326 HydrophobicContact CB-CG 4.33Å; P308-F326 HydrophobicContact CG-CB 3.99Å; P308-F326 HydrophobicContact CG-CD1 3.8Å; P308-F326 HydrophobicContact CG-CD2 3.6Å; P308-F326 HydrophobicContact CG-CE1 4.12Å; P308-F326 HydrophobicContact CG-CE2 3.94Å; P308-F326 HydrophobicContact CG-CG 3.51Å; P308-F326 HydrophobicContact CG-CZ 4.19Å; V316-F326 HydrophobicContact CG1-CB 4.08Å; V316-F326 HydrophobicContact CG1-CD1 4.04Å; V316-F326 HydrophobicContact CG1-CG 4.37Å; F317-F326 CarbonylContact O-C 3.45Å; F317-F326 VanDerWaalsContact O-CA 3.27Å; F317-F326 WeakPolarHBondContact O-CA 3.34Å; F317-F326 WeakPolarHBondContact O-CB 3.17Å; N319-F326 PolarHBondContact ND2-O 3.47Å
327M96.8Very high94.8Very high0 Ų027.7 Ų27.70%015%0.152CC..EExtended strand (participates in β ladder)trans-124.415716465.3176-71.300109.3P278 L281 F302 L303 V316 F317 P320 L329P278-M327 HydrophobicContact CB-SD 3.97Å; P278-M327 HydrophobicContact CG-SD 3.92Å; L281-M327 HydrophobicContact CB-CE 4.18Å; L281-M327 HydrophobicContact CD1-CB 3.52Å; L281-M327 HydrophobicContact CD1-CE 3.82Å; L281-M327 HydrophobicContact CD1-CG 4.34Å; L281-M327 HydrophobicContact CD1-SD 3.97Å; F302-M327 HydrophobicContact CD1-CE 4.33Å; L303-M327 CarbonylContact O-C 3.17Å; L303-M327 WeakPolarHBondContact O-CA 3.4Å; L303-M327 WeakPolarHBondContact O-CB 3.44Å; V316-M327 CarbonylContact C-O 3.44Å; V316-M327 WeakPolarHBondContact CA-O 3.34Å; F317-M327 HydrophobicContact CB-CG 3.86Å; F317-M327 PolarHBondContact N-O 3.18Å; F317-M327 PolarHBondContact O-N 2.86Å; P320-M327 HydrophobicContact CG-SD 4.43Å; M327-L329 HydrophobicContact CE-CD2 3.78Å; M327-L329 HydrophobicContact CE-CG 4.15Å
328A96.6Very high94.7Very high0 Ų027.8 Ų27.80%015%0.153CC..EExtended strand (participates in β ladder)trans-132150.4169.200000113.3F302 L303 L305 H315 V316 L422F302-A328 WeakPolarHBondContact CA-O 3.46Å; L303-A328 HydrophobicContact CB-CB 4.17Å; L303-A328 HydrophobicContact CD1-CB 4.18Å; L303-A328 PolarHBondContact N-O 3.47Å; L303-A328 PolarHBondContact O-N 3.48Å; L305-A328 HydrophobicContact CD1-CB 3.63Å; H315-A328 CarbonylContact O-C 3.46Å; H315-A328 WeakPolarHBondContact O-CA 3.35Å; H315-A328 WeakPolarHBondContact O-CB 3.39Å; V316-A328 HydrophobicContact CG2-CB 4.3Å; A328-L422 HydrophobicContact CB-CD1 3.81Å
329L96.2Very high94.7Very high5 Ų527.7 Ų27.73%0.02615%0.152CC..EExtended strand (participates in β ladder)trans-118.5129.4175.6-59.1178.1000109.8N277 T300 L301 F302 G314 H315 F317 M327N277-L329 HydrophobicContact CB-CD1 3.55Å; N277-L329 HydrophobicContact CB-CD2 4.12Å; N277-L329 HydrophobicContact CB-CG 4.47Å; T300-L329 HydrophobicContact CG2-CD2 4.47Å; L301-L329 VanDerWaalsContact O-CA 3.32Å; L301-L329 WeakPolarHBondContact O-CA 3.22Å; F302-L329 HydrophobicContact CB-CD2 4.5Å; F302-L329 HydrophobicContact CD1-CD2 3.3Å; F302-L329 HydrophobicContact CE1-CD2 3.55Å; F302-L329 HydrophobicContact CG-CD2 3.96Å; F302-L329 HydrophobicContact CZ-CD2 4.36Å; G314-L329 CarbonylContact C-O 3.57Å; G314-L329 VanDerWaalsContact CA-O 3.27Å; G314-L329 WeakPolarHBondContact CA-O 3.48Å; H315-L329 HydrophobicContact CB-CB 4.45Å; H315-L329 PolarHBondContact N-O 2.84Å; H315-L329 PolarHBondContact O-N 2.73Å; F317-L329 HydrophobicContact CD2-CD1 4.2Å; F317-L329 HydrophobicContact CE2-CD1 3.54Å; F317-L329 HydrophobicContact CE2-CG 4.28Å; F317-L329 HydrophobicContact CZ-CD1 4.35Å; M327-L329 HydrophobicContact CE-CD2 3.78Å; M327-L329 HydrophobicContact CE-CG 4.15Å
330L96.5Very high94.7Very high1 Ų130.7 Ų30.71%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-121.3131.1167.4-69.7160000108.5T300 L301 L303 F332 T379 H418 L422T300-L330 WeakPolarHBondContact CA-O 3.31Å; L301-L330 HydrophobicContact CB-CB 4.06Å; L301-L330 HydrophobicContact CD2-CD1 4.04Å; L301-L330 PolarHBondContact N-O 3.34Å; L301-L330 PolarHBondContact O-N 3.34Å; L301-L330 VanDerWaalsContact O-N 3.11Å; L303-L330 HydrophobicContact CD1-CD1 4.27Å; L330-F332 HydrophobicContact CB-CE2 3.69Å; L330-F332 HydrophobicContact CB-CZ 4.06Å; L330-T379 HydrophobicContact CD2-CG2 3.92Å; L330-H418 HydrophobicContact CD1-CB 3.85Å; L330-H418 HydrophobicContact CD2-CB 4.29Å; L330-L422 HydrophobicContact CD1-CD1 3.91Å; L330-L422 HydrophobicContact CD2-CD1 3.84Å; L330-L422 HydrophobicContact CG-CD1 3.8Å
331C93.9Very high94.8Very high33 Ų3334.3 Ų34.322%0.22318%0.179CC..EExtended strand (participates in β ladder)trans-112.7129.2-177.2-66.60000109.7I378 T379C331-I378 HydrophobicContact CB-CD1 4.2Å; C331-I378 WeakPolarHBondContact O-CB 3.44Å; C331-T379 PolarHBondContact O-OG1 3.45Å
332F95.6Very high95Very high2 Ų234.2 Ų34.21%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-119.7110.2178.6-58.3-91.4000108.4S298 D299 L301 L330 N334 E377 T379 S414 R415 H418S298-F332 CarbonylContact C-O 3.57Å; S298-F332 WeakPolarHBondContact CA-O 3.32Å; S298-F332 VanDerWaalsContact CB-O 3.25Å; S298-F332 WeakPolarHBondContact CB-O 3.27Å; D299-F332 HydrophobicContact CB-CB 4.35Å; D299-F332 PolarHBondContact N-O 2.83Å; D299-F332 PolarHBondContact O-N 2.89Å; L301-F332 HydrophobicContact CB-CE2 4.36Å; L330-F332 HydrophobicContact CB-CE2 3.69Å; L330-F332 HydrophobicContact CB-CZ 4.06Å; F332-N334 PolarHBondContact O-N 3.01Å; F332-E377 WeakPolarHBondContact CA-OE1 3.27Å; F332-T379 HydrophobicContact CD1-CG2 4.43Å; F332-T379 WeakPolarHBondContact CD1-O 3.07Å; F332-T379 HydrophobicContact CE1-CG2 3.64Å; F332-T379 WeakPolarHBondContact CE1-O 3.49Å; F332-T379 HydrophobicContact CZ-CG2 3.87Å; F332-S414 WeakPolarHBondContact CE1-OG 3.37Å; F332-R415 HydrophobicContact CD2-CG 3.96Å; F332-R415 HydrophobicContact CE1-CG 4.25Å; F332-R415 HydrophobicContact CE2-CB 4.42Å; F332-R415 HydrophobicContact CE2-CG 3.52Å; F332-R415 HydrophobicContact CZ-CB 4.3Å; F332-R415 HydrophobicContact CZ-CG 3.68Å; F332-H418 HydrophobicContact CZ-CB 4.48Å
333K90.8Very high95.3Very high94 Ų9433.5 Ų33.541%0.40917%0.173SC..SBendtrans-64.4-40.6-175.9-166.9178.8-175172.40111.9S298 G335 T375 M376 E377 I378S298-K333 PolarHBondContact OG-O 3.32Å; K333-G335 PolarHBondContact O-N 3.41Å; K333-G335 VanDerWaalsContact O-N 3.11Å; K333-T375 WeakPolarHBondContact CD-OG1 3.27Å; K333-M376 WeakPolarHBondContact CD-O 3.39Å; K333-E377 WeakPolarHBondContact CB-OE1 3.16Å; K333-E377 PolarHBondContact N-OE1 3.46Å; K333-I378 HydrophobicContact CB-CD1 4.23Å; K333-I378 HydrophobicContact CB-CG1 4.25Å
334N94.7Very high95.8Very high8 Ų833.8 Ų33.84%0.04317%0.17CC..SBendtrans-86.975.4-176.5-60.3-79.9000111.1F332 D374 T375 E377 Q411F332-N334 PolarHBondContact O-N 3.01Å; N334-D374 PolarHBondContact OD1-N 2.94Å; N334-D374 VanDerWaalsContact OD1-N 3.07Å; N334-T375 PolarHBondContact ND2-O 3.32Å; N334-T375 PolarHBondContact OD1-N 3.31Å; N334-T375 PolarHBondContact OD1-O 3.39Å; N334-T375 PolarHBondContact OD1-OG1 2.94Å; N334-E377 WeakPolarHBondContact CB-OE2 3.43Å; N334-E377 PolarHBondContact N-OE2 2.86Å; N334-E377 VanDerWaalsContact N-OE2 3.09Å; N334-E377 PolarHBondContact ND2-OE2 3.31Å; N334-Q411 PolarHBondContact O-NE2 3.33Å
335G95.8Very high96.1Very high0 Ų036.1 Ų36.10%017%0.17CC..SBendtrans-97.7-110.4-179.600000113.8T297 K333 T338 R339T297-G335 WeakPolarHBondContact O-CA 3.34Å; T297-G335 PolarHBondContact O-N 2.82Å; K333-G335 PolarHBondContact O-N 3.41Å; K333-G335 VanDerWaalsContact O-N 3.11Å; G335-T338 PolarHBondContact O-N 3.49Å; G335-R339 PolarHBondContact O-N 3.33Å
336S94.1Very high96.3Very high23 Ų2336.8 Ų36.816%0.16117%0.172CC..Hα-helixtrans-67.4-38.1-170.771.20000113.7G296 T297 T338 R339 E340G296-S336 VanDerWaalsContact O-CB 3.23Å; G296-S336 WeakPolarHBondContact O-CB 3.36Å; G296-S336 PolarHBondContact O-N 2.9Å; G296-S336 PolarHBondContact O-OG 2.86Å; T297-S336 WeakPolarHBondContact CA-OG 3.32Å; S336-T338 PolarHBondContact O-N 3.12Å; S336-R339 CarbonylContact O-C 3.29Å; S336-R339 WeakPolarHBondContact O-CA 3.44Å; S336-R339 WeakPolarHBondContact O-CB 3.39Å; S336-R339 PolarHBondContact O-N 3.24Å; S336-E340 WeakPolarHBondContact O-CG 3.25Å; S336-E340 PolarHBondContact O-N 2.75Å
337L93.9Very high96.3Very high104 Ų10436 Ų3655%0.54517%0.169SC..Hα-helixtrans-62.3-36.1-179.8-63.9178.4000111.4T297 E340 R341T297-L337 HydrophobicContact CG2-CD1 4.05Å; T297-L337 HydrophobicContact CG2-CG 4.32Å; L337-E340 PolarHBondContact O-N 2.85Å; L337-R341 WeakPolarHBondContact O-CB 3.42Å; L337-R341 PolarHBondContact O-N 3.37Å
338T97.1Very high96.3Very high2 Ų242 Ų421%0.01221%0.21CC..Hα-helixtrans-67.3-41.5173.8-610000111.3G335 S336 R341 V342 Y372 D374 L407G335-T338 PolarHBondContact O-N 3.49Å; S336-T338 PolarHBondContact O-N 3.12Å; T338-R341 PolarHBondContact O-N 2.65Å; T338-V342 PolarHBondContact O-N 2.83Å; T338-V342 VanDerWaalsContact O-N 3.09Å; T338-Y372 HydrophobicContact CG2-CG 4.47Å; T338-D374 WeakPolarHBondContact CA-OD2 3.4Å; T338-D374 WeakPolarHBondContact CB-OD2 3.41Å; T338-D374 WeakPolarHBondContact CG2-OD2 3.43Å; T338-D374 PolarHBondContact OG1-OD2 2.84Å; T338-L407 HydrophobicContact CG2-CD1 3.65Å
339R98.4Very high96.3Very high3 Ų343.4 Ų43.41%0.01123%0.225CC..Hα-helixtrans-63.4-43.6173.7-65.3-175.9-75.4-89.32.6112.5D299 G335 S336 V342 R343 W351 L407D299-R339 IonicContact OD1-CZ 2.79Å; D299-R339 IonicContact OD1-NH1 3.52Å; D299-R339 IonicContact OD1-NH2 3.67Å; D299-R339 PolarHBondContact OD1-NH2 3.22Å; D299-R339 IonicContact OD2-CZ 2.88Å; D299-R339 IonicContact OD2-NH1 3.62Å; D299-R339 PolarHBondContact OD2-NH1 3.25Å; D299-R339 IonicContact OD2-NH2 3.06Å; G335-R339 PolarHBondContact O-N 3.33Å; S336-R339 CarbonylContact O-C 3.29Å; S336-R339 WeakPolarHBondContact O-CA 3.44Å; S336-R339 WeakPolarHBondContact O-CB 3.39Å; S336-R339 PolarHBondContact O-N 3.24Å; R339-V342 PolarHBondContact O-N 3.48Å; R339-R343 WeakPolarHBondContact O-CB 3.3Å; R339-R343 PolarHBondContact O-N 2.95Å; R339-W351 HydrophobicContact CB-CH2 3.84Å; R339-W351 HydrophobicContact CB-CZ3 4.33Å; R339-L407 HydrophobicContact CB-CD2 4.39Å; R339-L407 HydrophobicContact CG-CD2 4.08Å
340E97.9Very high96.4Very high72 Ų7244.9 Ų44.934%0.33624%0.236SC..Hα-helixtrans-62.3-45.8176.2-75.1172.1-169.700111.6S336 L337 V342 R343 D344 W351S336-E340 WeakPolarHBondContact O-CG 3.25Å; S336-E340 PolarHBondContact O-N 2.75Å; L337-E340 PolarHBondContact O-N 2.85Å; E340-V342 PolarHBondContact O-N 3.4Å; E340-R343 WeakPolarHBondContact O-CB 3.47Å; E340-R343 PolarHBondContact O-N 3.31Å; E340-D344 WeakPolarHBondContact O-CB 3.49Å; E340-D344 PolarHBondContact O-N 2.93Å; E340-W351 HydrophobicContact CG-CH2 4.3Å; E340-W351 HydrophobicContact CG-CZ2 3.83Å
341R97.9Very high96.5Very high78 Ų7849 Ų4929%0.29425%0.252SS..Hα-helixtrans-59.1-44.5176.8-179.9-174.862.392.83.8112.2L337 T338 D344 R345 D374L337-R341 WeakPolarHBondContact O-CB 3.42Å; L337-R341 PolarHBondContact O-N 3.37Å; T338-R341 PolarHBondContact O-N 2.65Å; R341-D344 PolarHBondContact O-N 3.08Å; R341-R345 WeakPolarHBondContact O-CB 3.47Å; R341-R345 PolarHBondContact O-N 3.42Å; R341-R345 VanDerWaalsContact O-N 3.08Å; R341-D374 VanDerWaalsContact CZ-CG 3.44Å; R341-D374 IonicContact CZ-OD1 3.38Å; R341-D374 IonicContact CZ-OD2 3.56Å; R341-D374 VanDerWaalsContact CZ-OD2 3.28Å; R341-D374 IonicContact NE-OD1 2.84Å; R341-D374 PolarHBondContact NE-OD1 2.98Å; R341-D374 IonicContact NE-OD2 2.86Å; R341-D374 PolarHBondContact NE-OD2 2.82Å; R341-D374 IonicContact NH1-OD1 3Å; R341-D374 IonicContact NH2-OD1 2.75Å; R341-D374 PolarHBondContact NH2-OD1 3.46Å; R341-D374 IonicContact NH2-OD2 3.52Å; R341-D374 PolarHBondContact NH2-OD2 3.43Å
342V98.1Very high96.7Very high3 Ų353 Ų532%0.01827%0.271CS..Hα-helixtrans-68.1-41.6177.3172.30000110.6T338 R339 E340 D344 R345 C346 F354 Y372 E403 V404 L407T338-V342 PolarHBondContact O-N 2.83Å; T338-V342 VanDerWaalsContact O-N 3.09Å; R339-V342 PolarHBondContact O-N 3.48Å; E340-V342 PolarHBondContact O-N 3.4Å; V342-D344 VanDerWaalsContact C-N 3.34Å; V342-D344 PolarHBondContact O-N 2.89Å; V342-R345 PolarHBondContact O-N 3.06Å; V342-C346 HydrophobicContact CG1-CB 4.4Å; V342-C346 WeakPolarHBondContact O-CB 3.5Å; V342-C346 PolarHBondContact O-N 3.33Å; V342-F354 HydrophobicContact CG1-CE2 4.3Å; V342-Y372 HydrophobicContact CG2-CD1 4.03Å; V342-Y372 HydrophobicContact CG2-CE1 4Å; V342-E403 HydrophobicContact CG1-CG 4.37Å; V342-V404 HydrophobicContact CG1-CG2 4.13Å; V342-L407 HydrophobicContact CB-CD2 3.63Å; V342-L407 HydrophobicContact CG1-CD2 3.95Å; V342-L407 HydrophobicContact CG2-CD2 3.71Å
343R98.3Very high96.8Very high44 Ų4455.8 Ų55.817%0.16629%0.288CS..Hα-helixtrans-56.5-46172.4178-152.569.6-174-2.4112.1R339 E340 R345 C347 S348 G349 W351 F354R339-R343 WeakPolarHBondContact O-CB 3.3Å; R339-R343 PolarHBondContact O-N 2.95Å; E340-R343 WeakPolarHBondContact O-CB 3.47Å; E340-R343 PolarHBondContact O-N 3.31Å; R343-R345 VanDerWaalsContact C-N 3.34Å; R343-R345 PolarHBondContact O-N 3.49Å; R343-C347 HydrophobicContact CG-CB 4.31Å; R343-C347 CarbonylContact O-C 3.56Å; R343-C347 VanDerWaalsContact O-C 3.31Å; R343-C347 VanDerWaalsContact O-CA 3.24Å; R343-C347 WeakPolarHBondContact O-CA 3.48Å; R343-C347 VanDerWaalsContact O-CB 3.22Å; R343-C347 WeakPolarHBondContact O-CB 3.04Å; R343-C347 PolarHBondContact O-N 2.79Å; R343-S348 PolarHBondContact O-N 2.78Å; R343-G349 WeakPolarHBondContact CD-O 3.19Å; R343-G349 PolarHBondContact NE-O 3.31Å; R343-G349 PolarHBondContact O-N 3.32Å; R343-W351 HydrophobicContact CB-CE3 4.41Å; R343-W351 HydrophobicContact CB-CH2 4.33Å; R343-W351 HydrophobicContact CB-CZ3 4.14Å; R343-W351 HydrophobicContact CG-CD2 4.25Å; R343-W351 HydrophobicContact CG-CE3 4.15Å; R343-W351 HydrophobicContact CG-CZ3 4.37Å; R343-F354 HydrophobicContact CB-CD2 3.9Å; R343-F354 HydrophobicContact CB-CE2 4.44Å; R343-F354 HydrophobicContact CG-CD2 4.43Å
344D98.1Very high97.2Very high86 Ų8651.3 Ų51.346%0.4627%0.268SS..Hα-helixtrans-65.3-41-178.2-68.7-9.8000111.3E340 R341 V342 G349E340-D344 WeakPolarHBondContact O-CB 3.49Å; E340-D344 PolarHBondContact O-N 2.93Å; R341-D344 PolarHBondContact O-N 3.08Å; V342-D344 VanDerWaalsContact C-N 3.34Å; V342-D344 PolarHBondContact O-N 2.89Å; D344-G349 WeakPolarHBondContact OD1-CA 3.2Å
345R97.6Very high97.4Very high172 Ų17251.6 Ų51.665%0.64927%0.271SS*.Hα-helixtrans-75.5-42-179.3-174.6179.4178.7-175.8-0.6113.8R341 V342 R343R341-R345 WeakPolarHBondContact O-CB 3.47Å; R341-R345 PolarHBondContact O-N 3.42Å; R341-R345 VanDerWaalsContact O-N 3.08Å; V342-R345 PolarHBondContact O-N 3.06Å; R343-R345 VanDerWaalsContact C-N 3.34Å; R343-R345 PolarHBondContact O-N 3.49Å
346C97.7Very high97.5Very high25 Ų2557.6 Ų57.617%0.16930%0.299CS..Hα-helixtrans-103.6-18.4-168.1-64.50000113.1V342 P400 V404V342-C346 HydrophobicContact CG1-CB 4.4Å; V342-C346 WeakPolarHBondContact O-CB 3.5Å; V342-C346 PolarHBondContact O-N 3.33Å; C346-P400 HydrophobicContact CB-CB 3.84Å; C346-P400 WeakPolarHBondContact O-CB 3.47Å; C346-V404 HydrophobicContact CB-CG2 4.09Å
347C97.4Very high97.7Very high2 Ų256.9 Ų56.91%0.01429%0.294CS..SBendtrans-131.919.4-169.4-52.10000112.6R343 G349 S350 V353 F354 V404R343-C347 HydrophobicContact CG-CB 4.31Å; R343-C347 CarbonylContact O-C 3.56Å; R343-C347 VanDerWaalsContact O-C 3.31Å; R343-C347 VanDerWaalsContact O-CA 3.24Å; R343-C347 WeakPolarHBondContact O-CA 3.48Å; R343-C347 VanDerWaalsContact O-CB 3.22Å; R343-C347 WeakPolarHBondContact O-CB 3.04Å; R343-C347 PolarHBondContact O-N 2.79Å; C347-G349 PolarHBondContact O-N 3.38Å; C347-G349 VanDerWaalsContact O-N 3.07Å; C347-S350 WeakPolarHBondContact CB-O 3.25Å; C347-S350 WeakPolarHBondContact O-CB 3.5Å; C347-S350 PolarHBondContact O-N 3.42Å; C347-V353 HydrophobicContact CB-CB 3.91Å; C347-V353 HydrophobicContact CB-CG1 3.76Å; C347-F354 HydrophobicContact CB-CB 4.31Å; C347-F354 VanDerWaalsContact SG-CA 3.57Å; C347-V404 VanDerWaalsContact SG-CG2 3.51Å
348S96.1Very high97.9Very high124 Ų12452 Ų5287%0.86727%0.269SS*.THydrogen-bonded Turntrans52.332.5-179.1-54.90000113.5R343 S350R343-S348 PolarHBondContact O-N 2.78Å; S348-S350 VanDerWaalsContact C-N 3.28Å; S348-S350 PolarHBondContact O-N 3.29Å
349G96.2Very high97.9Very high30 Ų3057.1 Ų57.131%0.30930%0.296SS..THydrogen-bonded Turntrans76.16.4-178.400000115.4R343 D344 C347R343-G349 WeakPolarHBondContact CD-O 3.19Å; R343-G349 PolarHBondContact NE-O 3.31Å; R343-G349 PolarHBondContact O-N 3.32Å; D344-G349 WeakPolarHBondContact OD1-CA 3.2Å; C347-G349 PolarHBondContact O-N 3.38Å; C347-G349 VanDerWaalsContact O-N 3.07Å
350S98.2Very high97.9Very high37 Ų3760.2 Ų60.226%0.25933%0.329SS..  trans-97.2124.8-178.6177.40000112.7C347 S348 D352 V353 F354C347-S350 WeakPolarHBondContact CB-O 3.25Å; C347-S350 WeakPolarHBondContact O-CB 3.5Å; C347-S350 PolarHBondContact O-N 3.42Å; S348-S350 VanDerWaalsContact C-N 3.28Å; S348-S350 PolarHBondContact O-N 3.29Å; S350-D352 VanDerWaalsContact C-N 3.27Å; S350-D352 PolarHBondContact O-N 2.97Å; S350-D352 PolarHBondContact OG-N 3.42Å; S350-V353 PolarHBondContact O-N 3.28Å; S350-V353 PolarHBondContact OG-N 2.93Å; S350-F354 PolarHBondContact O-N 3.05Å; S350-F354 VanDerWaalsContact O-N 3.08Å
351W97.9Very high97.9Very high88 Ų8857.4 Ų57.433%0.33332%0.316SS..Hα-helixtrans-69.4-23.8170.2-71.1120.6000112.9R339 E340 R343 F354 S355R339-W351 HydrophobicContact CB-CH2 3.84Å; R339-W351 HydrophobicContact CB-CZ3 4.33Å; E340-W351 HydrophobicContact CG-CH2 4.3Å; E340-W351 HydrophobicContact CG-CZ2 3.83Å; R343-W351 HydrophobicContact CB-CE3 4.41Å; R343-W351 HydrophobicContact CB-CH2 4.33Å; R343-W351 HydrophobicContact CB-CZ3 4.14Å; R343-W351 HydrophobicContact CG-CD2 4.25Å; R343-W351 HydrophobicContact CG-CE3 4.15Å; R343-W351 HydrophobicContact CG-CZ3 4.37Å; W351-F354 HydrophobicContact CE3-CB 4.09Å; W351-F354 HydrophobicContact CE3-CD1 4.15Å; W351-F354 HydrophobicContact CE3-CD2 4.37Å; W351-F354 AromaticContact CE3-CG 3.97Å; W351-F354 HydrophobicContact CE3-CG 3.97Å; W351-F354 HydrophobicContact CZ3-CD1 4.2Å; W351-F354 HydrophobicContact CZ3-CD2 4.15Å; W351-F354 HydrophobicContact CZ3-CE1 4.33Å; W351-F354 HydrophobicContact CZ3-CE2 4.27Å; W351-F354 HydrophobicContact CZ3-CG 4.11Å; W351-F354 HydrophobicContact CZ3-CZ 4.37Å; W351-F354 PolarHBondContact O-N 3.33Å; W351-S355 WeakPolarHBondContact O-CB 3.41Å; W351-S355 PolarHBondContact O-N 3.38Å; W351-S355 PolarHBondContact O-OG 3.17Å
352D98.3Very high97.9Very high117 Ų11756.3 Ų56.363%0.62632%0.32SS*.Hα-helixtrans-70.3-43.5175.4-64.5-26.8000110.4S350 F354 S355 Q356S350-D352 VanDerWaalsContact C-N 3.27Å; S350-D352 PolarHBondContact O-N 2.97Å; S350-D352 PolarHBondContact OG-N 3.42Å; D352-F354 VanDerWaalsContact C-N 3.33Å; D352-S355 WeakPolarHBondContact O-CB 3.28Å; D352-S355 PolarHBondContact O-N 2.99Å; D352-Q356 WeakPolarHBondContact O-CG 3.33Å; D352-Q356 PolarHBondContact O-N 2.9Å
353V98.5Very high97.9Very high60 Ų6058.1 Ų58.136%0.36433%0.329SS..Hα-helixtrans-66.3-37.7174.9177.50000110.7C347 S350 S355 Q356 A357C347-V353 HydrophobicContact CB-CB 3.91Å; C347-V353 HydrophobicContact CB-CG1 3.76Å; S350-V353 PolarHBondContact O-N 3.28Å; S350-V353 PolarHBondContact OG-N 2.93Å; V353-S355 VanDerWaalsContact C-N 3.3Å; V353-S355 PolarHBondContact O-N 3.25Å; V353-Q356 PolarHBondContact O-N 3.39Å; V353-A357 PolarHBondContact O-N 3.07Å
354F98.7Very high97.9Very high0 Ų056.3 Ų56.30%032%0.324CS..Hα-helixtrans-59.5-41.4172.1-168.2-81.6000111.8V342 R343 C347 S350 W351 D352 A357 L358 V404 L407 V408 I444V342-F354 HydrophobicContact CG1-CE2 4.3Å; R343-F354 HydrophobicContact CB-CD2 3.9Å; R343-F354 HydrophobicContact CB-CE2 4.44Å; R343-F354 HydrophobicContact CG-CD2 4.43Å; C347-F354 HydrophobicContact CB-CB 4.31Å; C347-F354 VanDerWaalsContact SG-CA 3.57Å; S350-F354 PolarHBondContact O-N 3.05Å; S350-F354 VanDerWaalsContact O-N 3.08Å; W351-F354 HydrophobicContact CE3-CB 4.09Å; W351-F354 HydrophobicContact CE3-CD1 4.15Å; W351-F354 HydrophobicContact CE3-CD2 4.37Å; W351-F354 AromaticContact CE3-CG 3.97Å; W351-F354 HydrophobicContact CE3-CG 3.97Å; W351-F354 HydrophobicContact CZ3-CD1 4.2Å; W351-F354 HydrophobicContact CZ3-CD2 4.15Å; W351-F354 HydrophobicContact CZ3-CE1 4.33Å; W351-F354 HydrophobicContact CZ3-CE2 4.27Å; W351-F354 HydrophobicContact CZ3-CG 4.11Å; W351-F354 HydrophobicContact CZ3-CZ 4.37Å; W351-F354 PolarHBondContact O-N 3.33Å; D352-F354 VanDerWaalsContact C-N 3.33Å; F354-A357 WeakPolarHBondContact O-CB 3.48Å; F354-A357 PolarHBondContact O-N 2.81Å; F354-L358 HydrophobicContact CD1-CD1 4.12Å; F354-L358 HydrophobicContact CE1-CD1 3.94Å; F354-L358 HydrophobicContact CE1-CG 4.44Å; F354-L358 PolarHBondContact O-N 3.41Å; F354-V404 HydrophobicContact CD1-CG1 3.88Å; F354-V404 HydrophobicContact CD2-CB 4.49Å; F354-V404 HydrophobicContact CD2-CG1 3.85Å; F354-V404 HydrophobicContact CD2-CG2 3.86Å; F354-V404 HydrophobicContact CE1-CG1 3.76Å; F354-V404 HydrophobicContact CE2-CB 4.32Å; F354-V404 HydrophobicContact CE2-CG1 3.73Å; F354-V404 HydrophobicContact CE2-CG2 3.97Å; F354-V404 HydrophobicContact CG-CG1 3.93Å; F354-V404 HydrophobicContact CZ-CG1 3.69Å; F354-L407 HydrophobicContact CE2-CD2 4.46Å; F354-L407 HydrophobicContact CZ-CD2 4.35Å; F354-V408 HydrophobicContact CE1-CG2 3.75Å; F354-V408 HydrophobicContact CZ-CG2 3.68Å; F354-I444 HydrophobicContact CD1-CD1 4.5Å; F354-I444 HydrophobicContact CE1-CD1 3.94Å; F354-I444 HydrophobicContact CE1-CG1 4.02Å
355S98.6Very high97.9Very high13 Ų1352.2 Ų52.29%0.09130%0.302CS..Hα-helixtrans-67.9-42.9177.4-53.80000111.6W351 D352 V353 A357 L358 D359 N441W351-S355 WeakPolarHBondContact O-CB 3.41Å; W351-S355 PolarHBondContact O-N 3.38Å; W351-S355 PolarHBondContact O-OG 3.17Å; D352-S355 WeakPolarHBondContact O-CB 3.28Å; D352-S355 PolarHBondContact O-N 2.99Å; V353-S355 VanDerWaalsContact C-N 3.3Å; V353-S355 PolarHBondContact O-N 3.25Å; S355-A357 VanDerWaalsContact C-N 3.29Å; S355-A357 PolarHBondContact O-N 3.22Å; S355-L358 WeakPolarHBondContact O-CB 3.44Å; S355-L358 PolarHBondContact O-N 3.48Å; S355-L358 VanDerWaalsContact O-N 3.12Å; S355-D359 PolarHBondContact O-N 3.32Å; S355-N441 PolarHBondContact OG-ND2 3.26Å
356Q98.3Very high97.9Very high126 Ų12650.1 Ų50.159%0.58930%0.299SS*.Hα-helixtrans-61.2-37174.8-70.9169.914.600112.3D352 V353 L358 D359 G360D352-Q356 WeakPolarHBondContact O-CG 3.33Å; D352-Q356 PolarHBondContact O-N 2.9Å; V353-Q356 PolarHBondContact O-N 3.39Å; Q356-L358 VanDerWaalsContact C-N 3.33Å; Q356-L358 PolarHBondContact O-N 3.42Å; Q356-D359 PolarHBondContact O-N 3.02Å; Q356-G360 PolarHBondContact O-N 3.3Å
357A98.4Very high97.9Very high8 Ų849.9 Ų49.97%0.06630%0.301CS..Hα-helixtrans-62.8-38.417400000112.4V353 F354 S355 T361 E401 V404V353-A357 PolarHBondContact O-N 3.07Å; F354-A357 WeakPolarHBondContact O-CB 3.48Å; F354-A357 PolarHBondContact O-N 2.81Å; S355-A357 VanDerWaalsContact C-N 3.29Å; S355-A357 PolarHBondContact O-N 3.22Å; A357-T361 WeakPolarHBondContact O-CG2 3.48Å; A357-T361 PolarHBondContact O-N 3.42Å; A357-T361 PolarHBondContact O-OG1 3.06Å; A357-E401 HydrophobicContact CB-CB 4.17Å; A357-E401 HydrophobicContact CB-CG 4.28Å; A357-V404 HydrophobicContact CB-CB 3.97Å; A357-V404 HydrophobicContact CB-CG1 3.9Å; A357-V404 HydrophobicContact CB-CG2 4.15Å
358L98.6Very high98Very high3 Ų350.6 Ų50.62%0.01631%0.305CS..Hα-helixtrans-68.4-39.3174.6-68.8175.9000112.5F354 S355 Q356 T361 V404 R405 V408 Q443 I444 V447F354-L358 HydrophobicContact CD1-CD1 4.12Å; F354-L358 HydrophobicContact CE1-CD1 3.94Å; F354-L358 HydrophobicContact CE1-CG 4.44Å; F354-L358 PolarHBondContact O-N 3.41Å; S355-L358 WeakPolarHBondContact O-CB 3.44Å; S355-L358 PolarHBondContact O-N 3.48Å; S355-L358 VanDerWaalsContact O-N 3.12Å; Q356-L358 VanDerWaalsContact C-N 3.33Å; Q356-L358 PolarHBondContact O-N 3.42Å; L358-T361 PolarHBondContact O-OG1 3.49Å; L358-V404 HydrophobicContact CD2-CG1 3.83Å; L358-V404 HydrophobicContact CG-CG1 3.87Å; L358-R405 HydrophobicContact CD2-CB 4.25Å; L358-R405 PolarHBondContact O-NH2 2.98Å; L358-V408 HydrophobicContact CD1-CG2 4.39Å; L358-V408 HydrophobicContact CD2-CB 4.19Å; L358-V408 HydrophobicContact CD2-CG2 4.12Å; L358-Q443 HydrophobicContact CB-CB 3.95Å; L358-Q443 HydrophobicContact CB-CG 4.5Å; L358-Q443 HydrophobicContact CD1-CB 3.73Å; L358-Q443 HydrophobicContact CG-CB 4.5Å; L358-I444 HydrophobicContact CD1-CG1 3.94Å; L358-V447 HydrophobicContact CD2-CG2 4.26Å
359D97.1Very high98.1Very high109 Ų10944.8 Ų44.858%0.58326%0.264SS*.Hα-helixtrans-69.9-34.8176.6-74.9-24.6000112.1S355 Q356 T361 Q443S355-D359 PolarHBondContact O-N 3.32Å; Q356-D359 PolarHBondContact O-N 3.02Å; D359-T361 VanDerWaalsContact C-N 3.32Å; D359-T361 PolarHBondContact O-N 3Å; D359-Q443 VanDerWaalsContact OD1-CG 3.23Å; D359-Q443 WeakPolarHBondContact OD1-CG 3.48Å; D359-Q443 PolarHBondContact OD2-NE2 3.33Å
360G97.1Very high98.2Very high67 Ų6743.4 Ų43.469%0.69125%0.25SC*.THydrogen-bonded Turntrans-80.6-5.2-178.200000115.1Q356Q356-G360 PolarHBondContact O-N 3.3Å
361T98.3Very high98.2Very high13 Ų1341.9 Ų41.98%0.0824%0.239CC..SBendtrans-116.9137.4-178.248.50000111.3A357 L358 D359 E401 L402 R405A357-T361 WeakPolarHBondContact O-CG2 3.48Å; A357-T361 PolarHBondContact O-N 3.42Å; A357-T361 PolarHBondContact O-OG1 3.06Å; L358-T361 PolarHBondContact O-OG1 3.49Å; D359-T361 VanDerWaalsContact C-N 3.32Å; D359-T361 PolarHBondContact O-N 3Å; T361-E401 HydrophobicContact CG2-CB 3.76Å; T361-L402 HydrophobicContact CG2-CD2 4.29Å; T361-R405 PolarHBondContact O-NE 2.99Å; T361-R405 PolarHBondContact O-NH2 2.77Å; T361-R405 WeakPolarHBondContact OG1-CD 3.43Å; T361-R405 PolarHBondContact OG1-NE 3.19Å
362P97.8Very high98.2Very high56 Ų5638.2 Ų38.236%0.36423%0.225SC..  trans-72.5159-17830.8-35.2000112.1G364 N365 H366 R405P362-G364 PolarHBondContact O-N 3.08Å; P362-N365 PolarHBondContact O-N 3.35Å; P362-H366 WeakPolarHBondContact CD-NE2 3.22Å; P362-H366 WeakPolarHBondContact CG-CE1 3.33Å; P362-H366 WeakPolarHBondContact CG-NE2 3.49Å; P362-R405 WeakPolarHBondContact O-CD 3.1Å; P362-R405 PolarHBondContact O-NE 3.25Å
363L98.3Very high98.1Very high41 Ų4133.3 Ų33.322%0.21520%0.198CC..THydrogen-bonded Turntrans-52.1134.2170.7-69.372.4000110.2N365 H502 A505 V508 Y509L363-N365 PolarHBondContact O-N 3.15Å; L363-H502 HydrophobicContact CD2-CB 3.83Å; L363-A505 HydrophobicContact CD2-CB 4.12Å; L363-V508 HydrophobicContact CB-CB 4.5Å; L363-V508 HydrophobicContact CB-CG1 4.18Å; L363-V508 HydrophobicContact CB-CG2 4.27Å; L363-Y509 HydrophobicContact CB-CE2 4.22Å; L363-Y509 HydrophobicContact CD2-CE2 4.02Å; L363-Y509 HydrophobicContact CG-CE2 4.27Å
364G98.2Very high97.8Very high5 Ų533.6 Ų33.65%0.05220%0.197CC..THydrogen-bonded Turntrans76.75.9-178.800000114.5P362 H366 G367 E409P362-G364 PolarHBondContact O-N 3.08Å; G364-H366 VanDerWaalsContact C-N 3.29Å; G364-H366 PolarHBondContact O-N 3.5Å; G364-H366 VanDerWaalsContact O-N 3.13Å; G364-G367 WeakPolarHBondContact O-CA 3.23Å; G364-G367 PolarHBondContact O-N 3.39Å; G364-E409 WeakPolarHBondContact CA-OE1 3.44Å; G364-E409 WeakPolarHBondContact CA-OE2 3.38Å; G364-E409 PolarHBondContact N-OE1 2.87Å
365N98.4Very high97.4Very high0 Ų036.7 Ų36.70%022%0.216CC..G310 helixtrans53.538.5168.6-155.824.7000114.8P362 L363 G367 N368 L402 R405 A406 E409P362-N365 PolarHBondContact O-N 3.35Å; L363-N365 PolarHBondContact O-N 3.15Å; N365-G367 PolarHBondContact O-N 2.83Å; N365-G367 VanDerWaalsContact O-N 3.17Å; N365-N368 HydrophobicContact CB-CB 4.41Å; N365-N368 WeakPolarHBondContact O-CB 3.33Å; N365-N368 PolarHBondContact O-N 3.38Å; N365-N368 PolarHBondContact O-ND2 2.88Å; N365-L402 PolarHBondContact ND2-O 3.32Å; N365-L402 WeakPolarHBondContact OD1-CD2 3.26Å; N365-R405 HydrophobicContact CB-CB 4.43Å; N365-R405 HydrophobicContact CB-CG 3.79Å; N365-A406 PolarHBondContact ND2-N 3.05Å; N365-E409 WeakPolarHBondContact CB-OE2 3.46Å
366H97.8Very high97.1Very high128 Ų12840.6 Ų40.659%0.59323%0.234SC*.G310 helixtrans56.325.2-172.1-52.3-81.2000114.5P362 G364 A390P362-H366 WeakPolarHBondContact CD-NE2 3.22Å; P362-H366 WeakPolarHBondContact CG-CE1 3.33Å; P362-H366 WeakPolarHBondContact CG-NE2 3.49Å; G364-H366 VanDerWaalsContact C-N 3.29Å; G364-H366 PolarHBondContact O-N 3.5Å; G364-H366 VanDerWaalsContact O-N 3.13Å; H366-A390 WeakPolarHBondContact O-CB 3.47Å
367G98Very high96.9Very high21 Ų2135 Ų3522%0.21621%0.208CC..G310 helixtrans84.38-175.200000114.5G364 N365 R515G364-G367 WeakPolarHBondContact O-CA 3.23Å; G364-G367 PolarHBondContact O-N 3.39Å; N365-G367 PolarHBondContact O-N 2.83Å; N365-G367 VanDerWaalsContact O-N 3.17Å; G367-R515 PolarHBondContact O-NH1 2.85Å
368N98.8Very high96.5Very high17 Ų1738.3 Ų38.39%0.09122%0.224CC..  trans-80.2128.2175.9-63.1-69.8000111N365 F388 D389 W398N365-N368 HydrophobicContact CB-CB 4.41Å; N365-N368 WeakPolarHBondContact O-CB 3.33Å; N365-N368 PolarHBondContact O-N 3.38Å; N365-N368 PolarHBondContact O-ND2 2.88Å; N368-F388 WeakPolarHBondContact CA-O 3.41Å; N368-D389 WeakPolarHBondContact OD1-CA 3.46Å; N368-W398 HydrophobicContact CB-CH2 4.32Å; N368-W398 HydrophobicContact CB-CZ2 3.76Å; N368-W398 PolarHBondContact OD1-NE1 3.46Å; N368-W398 VanDerWaalsContact OD1-NE1 3.07Å
369I98.8Very high96.3Very high2 Ų238.2 Ų38.21%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-122129.6-180-70.1172.6000110F371 F388 W398 M512 R515 F516 L519I369-F371 HydrophobicContact CG2-CD2 4.39Å; I369-F371 HydrophobicContact CG2-CE2 3.73Å; I369-F371 HydrophobicContact CG2-CZ 4.14Å; I369-F388 PolarHBondContact N-O 3.31Å; I369-F388 PolarHBondContact O-N 2.79Å; I369-W398 WeakPolarHBondContact O-CH2 3.37Å; I369-M512 HydrophobicContact CD1-CE 4.18Å; I369-M512 HydrophobicContact CD1-CG 4.05Å; I369-M512 HydrophobicContact CG1-CE 3.53Å; I369-M512 HydrophobicContact CG1-CG 4.45Å; I369-R515 HydrophobicContact CD1-CG 4.23Å; I369-F516 HydrophobicContact CD1-CB 4.41Å; I369-F516 HydrophobicContact CG2-CD2 3.59Å; I369-F516 HydrophobicContact CG2-CE2 4Å; I369-L519 HydrophobicContact CB-CD1 3.97Å; I369-L519 HydrophobicContact CD1-CD1 3.8Å; I369-L519 HydrophobicContact CG1-CD1 4.45Å; I369-L519 HydrophobicContact CG2-CD1 3.99Å
370G98.5Very high96.2Very high1 Ų133 Ų331%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-124.1145.5177.300000113.8H386G370-H386 CarbonylContact C-O 3.53Å; G370-H386 VanDerWaalsContact CA-O 3.29Å; G370-H386 WeakPolarHBondContact CA-O 3.48Å
371F98.6Very high95.9Very high5 Ų533.4 Ų33.42%0.02219%0.186CC..EExtended strand (participates in β ladder)trans-119.5124.2171.7-57.7-98.3000108.8I369 F373 L385 H386 F388 F516 L519 E520 V523I369-F371 HydrophobicContact CG2-CD2 4.39Å; I369-F371 HydrophobicContact CG2-CE2 3.73Å; I369-F371 HydrophobicContact CG2-CZ 4.14Å; F371-F373 HydrophobicContact CB-CD2 4.24Å; F371-F373 HydrophobicContact CB-CE2 3.74Å; F371-F373 HydrophobicContact CB-CZ 4.06Å; F371-F373 HydrophobicContact CD1-CE2 4.02Å; F371-F373 AromaticContact CD1-CZ 3.9Å; F371-F373 HydrophobicContact CD1-CZ 3.9Å; F371-F373 HydrophobicContact CG-CE2 4.3Å; F371-F373 HydrophobicContact CG-CZ 4.48Å; F371-L385 WeakPolarHBondContact O-CA 3.36Å; F371-L385 WeakPolarHBondContact O-CD1 3.26Å; F371-H386 HydrophobicContact CB-CB 4.18Å; F371-H386 HydrophobicContact CD2-CB 4.19Å; F371-H386 PolarHBondContact N-O 3.12Å; F371-H386 PolarHBondContact O-N 3.42Å; F371-F388 HydrophobicContact CD2-CD2 4.22Å; F371-F388 AromaticContact CD2-CE2 3.94Å; F371-F388 HydrophobicContact CD2-CE2 3.94Å; F371-F388 HydrophobicContact CE2-CD2 4.02Å; F371-F388 AromaticContact CE2-CE2 3.85Å; F371-F388 HydrophobicContact CE2-CE2 3.85Å; F371-F516 HydrophobicContact CD1-CE1 4.5Å; F371-F516 HydrophobicContact CD1-CE2 4.08Å; F371-F516 AromaticContact CD1-CZ 3.76Å; F371-F516 HydrophobicContact CD1-CZ 3.76Å; F371-F516 HydrophobicContact CE1-CD1 4.27Å; F371-F516 HydrophobicContact CE1-CD2 4.17Å; F371-F516 AromaticContact CE1-CE1 3.62Å; F371-F516 HydrophobicContact CE1-CE1 3.62Å; F371-F516 AromaticContact CE1-CE2 3.5Å; F371-F516 HydrophobicContact CE1-CE2 3.5Å; F371-F516 AromaticContact CE1-CZ 3.19Å; F371-F516 HydrophobicContact CE1-CZ 3.19Å; F371-F516 HydrophobicContact CE2-CE2 4.46Å; F371-F516 HydrophobicContact CZ-CD1 4.45Å; F371-F516 AromaticContact CZ-CD2 3.98Å; F371-F516 HydrophobicContact CZ-CD2 3.98Å; F371-F516 HydrophobicContact CZ-CE1 4.23Å; F371-F516 AromaticContact CZ-CE2 3.72Å; F371-F516 HydrophobicContact CZ-CE2 3.72Å; F371-F516 HydrophobicContact CZ-CG 4.33Å; F371-F516 AromaticContact CZ-CZ 3.86Å; F371-F516 HydrophobicContact CZ-CZ 3.86Å; F371-L519 HydrophobicContact CE2-CB 3.82Å; F371-L519 HydrophobicContact CZ-CB 3.88Å; F371-E520 HydrophobicContact CE1-CB 3.83Å; F371-E520 HydrophobicContact CE1-CG 4.22Å; F371-E520 HydrophobicContact CZ-CB 4.1Å; F371-V523 HydrophobicContact CD2-CG2 3.97Å; F371-V523 HydrophobicContact CE2-CG2 4.2Å; F371-V523 HydrophobicContact CG-CG2 4.28Å
372Y97.9Very high95.7Very high11 Ų1132.8 Ų32.84%0.04318%0.182CC..EExtended strand (participates in β ladder)trans-120.775.7-168.7-66.8-106.8000110.8T338 V342 L385 E403 A406 L407T338-Y372 HydrophobicContact CG2-CG 4.47Å; V342-Y372 HydrophobicContact CG2-CD1 4.03Å; V342-Y372 HydrophobicContact CG2-CE1 4Å; Y372-L385 HydrophobicContact CD1-CD1 3.33Å; Y372-L385 HydrophobicContact CD2-CD1 4.26Å; Y372-L385 HydrophobicContact CE1-CD1 3.46Å; Y372-L385 VanDerWaalsContact CE1-CD1 3.46Å; Y372-L385 HydrophobicContact CE2-CD1 4.37Å; Y372-L385 HydrophobicContact CG-CD1 3.72Å; Y372-E403 HydrophobicContact CE1-CG 4.38Å; Y372-E403 WeakPolarHBondContact CE1-OE1 3.44Å; Y372-E403 VanDerWaalsContact CZ-OE1 3.25Å; Y372-E403 PolarHBondContact OH-O 3.08Å; Y372-E403 PolarHBondContact OH-OE1 2.84Å; Y372-A406 HydrophobicContact CE2-CB 4.26Å; Y372-L407 HydrophobicContact CD1-CB 4.38Å; Y372-L407 HydrophobicContact CD1-CD1 4.04Å; Y372-L407 HydrophobicContact CD2-CB 4.06Å; Y372-L407 HydrophobicContact CD2-CD1 3.85Å; Y372-L407 HydrophobicContact CE1-CB 4.2Å; Y372-L407 VanDerWaalsContact CE2-CA 3.43Å; Y372-L407 HydrophobicContact CE2-CB 3.87Å; Y372-L407 HydrophobicContact CG-CB 4.36Å; Y372-L407 HydrophobicContact CG-CD1 3.62Å
373F96.3Very high95.5Very high14 Ų1433.1 Ų33.16%0.06118%0.183CC..EExtended strand (participates in β ladder)trans-103.878.3-178.3-51.2-46.5000110.1F371 T375 E377 A382 G384 V523F371-F373 HydrophobicContact CB-CD2 4.24Å; F371-F373 HydrophobicContact CB-CE2 3.74Å; F371-F373 HydrophobicContact CB-CZ 4.06Å; F371-F373 HydrophobicContact CD1-CE2 4.02Å; F371-F373 AromaticContact CD1-CZ 3.9Å; F371-F373 HydrophobicContact CD1-CZ 3.9Å; F371-F373 HydrophobicContact CG-CE2 4.3Å; F371-F373 HydrophobicContact CG-CZ 4.48Å; F373-T375 CarbonylContact C-O 3.51Å; F373-T375 PolarHBondContact O-N 3.37Å; F373-E377 HydrophobicContact CB-CB 4.3Å; F373-E377 HydrophobicContact CD1-CB 3.7Å; F373-E377 HydrophobicContact CD1-CG 3.73Å; F373-E377 HydrophobicContact CE1-CB 4.17Å; F373-E377 HydrophobicContact CE1-CG 3.76Å; F373-E377 HydrophobicContact CG-CB 4Å; F373-E377 HydrophobicContact CG-CG 4.49Å; F373-A382 HydrophobicContact CD2-CB 3.61Å; F373-A382 HydrophobicContact CE2-CB 3.67Å; F373-G384 PolarHBondContact N-O 3.42Å; F373-G384 PolarHBondContact O-N 3.29Å; F373-V523 HydrophobicContact CE2-CG1 4.3Å
374D91.1Very high95.4Very high65 Ų6532.5 Ų32.535%0.34819%0.186SC..SBendtrans-60.6-32-178.8-68.1-38.6000112.6N334 T338 R341N334-D374 PolarHBondContact OD1-N 2.94Å; N334-D374 VanDerWaalsContact OD1-N 3.07Å; T338-D374 WeakPolarHBondContact CA-OD2 3.4Å; T338-D374 WeakPolarHBondContact CB-OD2 3.41Å; T338-D374 WeakPolarHBondContact CG2-OD2 3.43Å; T338-D374 PolarHBondContact OG1-OD2 2.84Å; R341-D374 VanDerWaalsContact CZ-CG 3.44Å; R341-D374 IonicContact CZ-OD1 3.38Å; R341-D374 IonicContact CZ-OD2 3.56Å; R341-D374 VanDerWaalsContact CZ-OD2 3.28Å; R341-D374 IonicContact NE-OD1 2.84Å; R341-D374 PolarHBondContact NE-OD1 2.98Å; R341-D374 IonicContact NE-OD2 2.86Å; R341-D374 PolarHBondContact NE-OD2 2.82Å; R341-D374 IonicContact NH1-OD1 3Å; R341-D374 IonicContact NH2-OD1 2.75Å; R341-D374 PolarHBondContact NH2-OD1 3.46Å; R341-D374 IonicContact NH2-OD2 3.52Å; R341-D374 PolarHBondContact NH2-OD2 3.43Å
375T91.6Very high95.3Very high65 Ų6534.5 Ų34.540%0.39920%0.196SC..SBendtrans-124.3165.9169.863.30000109.3K333 N334 F373 E377K333-T375 WeakPolarHBondContact CD-OG1 3.27Å; N334-T375 PolarHBondContact ND2-O 3.32Å; N334-T375 PolarHBondContact OD1-N 3.31Å; N334-T375 PolarHBondContact OD1-O 3.39Å; N334-T375 PolarHBondContact OD1-OG1 2.94Å; F373-T375 CarbonylContact C-O 3.51Å; F373-T375 PolarHBondContact O-N 3.37Å; T375-E377 PolarHBondContact O-N 2.77Å
376M91.8Very high95.3Very high96 Ų9635.4 Ų35.447%0.47320%0.2SC..  trans-51114172.9-179.859.672.600110.2K333 P381 V383K333-M376 WeakPolarHBondContact CD-O 3.39Å; M376-P381 HydrophobicContact SD-CB 4.5Å; M376-V383 HydrophobicContact CE-CB 4.36Å; M376-V383 HydrophobicContact CE-CG1 4.3Å
377E93.7Very high95.3Very high8 Ų830.2 Ų30.24%0.03718%0.175CC..  trans-73.8158.5178.8-174.153.7-90.100110.9F332 K333 N334 F373 T375 P380 P381 A382F332-E377 WeakPolarHBondContact CA-OE1 3.27Å; K333-E377 WeakPolarHBondContact CB-OE1 3.16Å; K333-E377 PolarHBondContact N-OE1 3.46Å; N334-E377 WeakPolarHBondContact CB-OE2 3.43Å; N334-E377 PolarHBondContact N-OE2 2.86Å; N334-E377 VanDerWaalsContact N-OE2 3.09Å; N334-E377 PolarHBondContact ND2-OE2 3.31Å; F373-E377 HydrophobicContact CB-CB 4.3Å; F373-E377 HydrophobicContact CD1-CB 3.7Å; F373-E377 HydrophobicContact CD1-CG 3.73Å; F373-E377 HydrophobicContact CE1-CB 4.17Å; F373-E377 HydrophobicContact CE1-CG 3.76Å; F373-E377 HydrophobicContact CG-CB 4Å; F373-E377 HydrophobicContact CG-CG 4.49Å; T375-E377 PolarHBondContact O-N 2.77Å; E377-P380 CarbonylContact C-O 3.45Å; E377-P380 WeakPolarHBondContact CB-O 3.28Å; E377-P380 VanDerWaalsContact CG-O 3.31Å; E377-P380 WeakPolarHBondContact CG-O 3.35Å; E377-P381 WeakPolarHBondContact O-CA 3.48Å; E377-A382 WeakPolarHBondContact CB-O 3.47Å; E377-A382 PolarHBondContact N-O 2.82Å
378I89.6Confident95.3Very high77 Ų7729.5 Ų29.540%0.39517%0.166SC..SBendtrans-93.1-44.9176.1-62.4168.5000109.9C331 K333 P380C331-I378 HydrophobicContact CB-CD1 4.2Å; C331-I378 WeakPolarHBondContact O-CB 3.44Å; K333-I378 HydrophobicContact CB-CD1 4.23Å; K333-I378 HydrophobicContact CB-CG1 4.25Å; I378-P380 CarbonylContact O-C 3.53Å
379T95.1Very high95.3Very high1 Ų130.3 Ų30.31%0.00617%0.17CC..SBendtrans-12894.8-175.2-60.60000109.8E313 L330 C331 F332 H418E313-T379 WeakPolarHBondContact OE2-CG2 3.49Å; L330-T379 HydrophobicContact CD2-CG2 3.92Å; C331-T379 PolarHBondContact O-OG1 3.45Å; F332-T379 HydrophobicContact CD1-CG2 4.43Å; F332-T379 WeakPolarHBondContact CD1-O 3.07Å; F332-T379 HydrophobicContact CE1-CG2 3.64Å; F332-T379 WeakPolarHBondContact CE1-O 3.49Å; F332-T379 HydrophobicContact CZ-CG2 3.87Å; T379-H418 HydrophobicContact CG2-CB 3.81Å; T379-H418 VanDerWaalsContact CG2-CG 3.41Å
380P93.9Very high95.2Very high0 Ų032.7 Ų32.70%019%0.19CC..SBendcis-87.5172-6.639.8-37.7000112.1E377 I378 A382 E520 L524E377-P380 CarbonylContact C-O 3.45Å; E377-P380 WeakPolarHBondContact CB-O 3.28Å; E377-P380 VanDerWaalsContact CG-O 3.31Å; E377-P380 WeakPolarHBondContact CG-O 3.35Å; I378-P380 CarbonylContact O-C 3.53Å; P380-A382 VanDerWaalsContact C-N 3.32Å; P380-A382 PolarHBondContact O-N 3.2Å; P380-E520 HydrophobicContact CG-CG 3.89Å; P380-L524 HydrophobicContact CB-CD1 4.04Å; P380-L524 HydrophobicContact CB-CD2 3.78Å; P380-L524 HydrophobicContact CB-CG 4.4Å; P380-L524 HydrophobicContact CG-CD1 4.27Å; P380-L524 HydrophobicContact CG-CD2 3.9Å; P380-L524 HydrophobicContact CG-CG 4.33Å
381P91.4Very high95.2Very high75 Ų7538.1 Ų38.149%0.48722%0.219SC..  trans-7281.4177.830.2-36.5000112.3M376 E377M376-P381 HydrophobicContact SD-CB 4.5Å; E377-P381 WeakPolarHBondContact O-CA 3.48Å
382A93.4Very high95.1Very high0 Ų040.4 Ų40.40%023%0.231CC..  trans-135.6159.4179.500000111.7F373 E377 P380 V523 L524F373-A382 HydrophobicContact CD2-CB 3.61Å; F373-A382 HydrophobicContact CE2-CB 3.67Å; E377-A382 WeakPolarHBondContact CB-O 3.47Å; E377-A382 PolarHBondContact N-O 2.82Å; P380-A382 VanDerWaalsContact C-N 3.32Å; P380-A382 PolarHBondContact O-N 3.2Å; A382-V523 HydrophobicContact CB-CG1 4Å; A382-L524 HydrophobicContact CB-CD2 3.95Å
383V94.7Very high95.1Very high64 Ų6448.1 Ų48.139%0.38826%0.26SS..  trans-139.4155.3176.968.20000110.6M376 H386M376-V383 HydrophobicContact CE-CB 4.36Å; M376-V383 HydrophobicContact CE-CG1 4.3Å; V383-H386 PolarHBondContact O-NE2 3.44Å
384G95Very high95.1Very high27 Ų2752.2 Ų52.228%0.27828%0.28SS..EExtended strand (participates in β ladder)trans100.7179.2176.400000113.9F373F373-G384 PolarHBondContact N-O 3.42Å; F373-G384 PolarHBondContact O-N 3.29Å
385L96.7Very high95.4Very high48 Ų4851.2 Ų51.225%0.25128%0.276SS..EExtended strand (participates in β ladder)trans-113.8109.3-176.2-177.951.1000109.7F371 Y372F371-L385 WeakPolarHBondContact O-CA 3.36Å; F371-L385 WeakPolarHBondContact O-CD1 3.26Å; Y372-L385 HydrophobicContact CD1-CD1 3.33Å; Y372-L385 HydrophobicContact CD2-CD1 4.26Å; Y372-L385 HydrophobicContact CE1-CD1 3.46Å; Y372-L385 VanDerWaalsContact CE1-CD1 3.46Å; Y372-L385 HydrophobicContact CE2-CD1 4.37Å; Y372-L385 HydrophobicContact CG-CD1 3.72Å
386H97.9Very high95.6Very high19 Ų1953.2 Ų53.29%0.08829%0.292CS..EExtended strand (participates in β ladder)trans-116.7124.6-173.1-51.5-91000109.3G370 F371 V383 F388 V523G370-H386 CarbonylContact C-O 3.53Å; G370-H386 VanDerWaalsContact CA-O 3.29Å; G370-H386 WeakPolarHBondContact CA-O 3.48Å; F371-H386 HydrophobicContact CB-CB 4.18Å; F371-H386 HydrophobicContact CD2-CB 4.19Å; F371-H386 PolarHBondContact N-O 3.12Å; F371-H386 PolarHBondContact O-N 3.42Å; V383-H386 PolarHBondContact O-NE2 3.44Å; H386-F388 HydrophobicContact CB-CE2 3.86Å; H386-F388 HydrophobicContact CB-CZ 4.39Å; H386-V523 HydrophobicContact CB-CG2 3.77Å
387R98.4Very high95.7Very high18 Ų1852 Ų527%0.06829%0.294CS..EExtended strand (participates in β ladder)trans-125.7131.7-176.2-66.4-173.2-175.976.83.4110.1Q394 V395 S396 W398 E403R387-Q394 VanDerWaalsContact O-CA 3.23Å; R387-Q394 WeakPolarHBondContact O-CA 3.43Å; R387-V395 HydrophobicContact CB-CG2 3.73Å; R387-V395 WeakPolarHBondContact CB-O 3.44Å; R387-V395 PolarHBondContact O-N 2.81Å; R387-S396 PolarHBondContact NH1-O 3.3Å; R387-W398 HydrophobicContact CB-CE3 4.46Å; R387-W398 HydrophobicContact CB-CH2 3.36Å; R387-W398 HydrophobicContact CB-CZ2 3.6Å; R387-W398 HydrophobicContact CB-CZ3 3.83Å; R387-W398 HydrophobicContact CG-CE3 4.03Å; R387-W398 HydrophobicContact CG-CH2 3.57Å; R387-W398 HydrophobicContact CG-CZ2 4.2Å; R387-W398 HydrophobicContact CG-CZ3 3.47Å; R387-W398 VanDerWaalsContact CG-CZ3 3.47Å; R387-E403 IonicContact CZ-OE1 2.99Å; R387-E403 VanDerWaalsContact CZ-OE1 3.26Å; R387-E403 IonicContact CZ-OE2 3.08Å; R387-E403 IonicContact NE-OE1 2.82Å; R387-E403 PolarHBondContact NE-OE1 2.97Å; R387-E403 VanDerWaalsContact NE-OE1 3.08Å; R387-E403 IonicContact NE-OE2 2.68Å; R387-E403 PolarHBondContact NE-OE2 2.7Å; R387-E403 IonicContact NH2-OE1 3.28Å; R387-E403 PolarHBondContact NH2-OE1 3.12Å; R387-E403 IonicContact NH2-OE2 2.65Å; R387-E403 PolarHBondContact NH2-OE2 3.02Å
388F98.6Very high95.9Very high6 Ų653.6 Ų53.63%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-128.7128.3-179.6-59.7-86.7000110.8N368 I369 F371 H386 R393 Q394 W398 L519 V523N368-F388 WeakPolarHBondContact CA-O 3.41Å; I369-F388 PolarHBondContact N-O 3.31Å; I369-F388 PolarHBondContact O-N 2.79Å; F371-F388 HydrophobicContact CD2-CD2 4.22Å; F371-F388 AromaticContact CD2-CE2 3.94Å; F371-F388 HydrophobicContact CD2-CE2 3.94Å; F371-F388 HydrophobicContact CE2-CD2 4.02Å; F371-F388 AromaticContact CE2-CE2 3.85Å; F371-F388 HydrophobicContact CE2-CE2 3.85Å; H386-F388 HydrophobicContact CB-CE2 3.86Å; H386-F388 HydrophobicContact CB-CZ 4.39Å; F388-R393 WeakPolarHBondContact CA-O 3.44Å; F388-Q394 HydrophobicContact CD1-CB 4.44Å; F388-Q394 HydrophobicContact CE1-CB 4.3Å; F388-W398 WeakPolarHBondContact O-CZ2 3.05Å; F388-L519 HydrophobicContact CB-CD1 3.89Å; F388-L519 HydrophobicContact CB-CD2 4.42Å; F388-L519 HydrophobicContact CD1-CD2 3.83Å; F388-L519 HydrophobicContact CD2-CB 4.42Å; F388-L519 HydrophobicContact CD2-CD1 4.04Å; F388-L519 HydrophobicContact CD2-CD2 4.3Å; F388-L519 HydrophobicContact CD2-CG 4.5Å; F388-L519 HydrophobicContact CE1-CD2 4.1Å; F388-L519 HydrophobicContact CE2-CB 4.41Å; F388-L519 HydrophobicContact CG-CD1 3.96Å; F388-L519 HydrophobicContact CG-CD2 3.93Å; F388-L519 HydrophobicContact CG-CG 4.46Å; F388-L519 HydrophobicContact CZ-CD2 4.44Å; F388-V523 HydrophobicContact CE2-CG2 3.97Å; F388-V523 HydrophobicContact CZ-CG2 4.14Å
389D98.2Very high96.3Very high34 Ų3452.3 Ų52.318%0.18230%0.297CS..  trans-71.6179.3172.875.46000111.9N368 N391 D392 R393 V395 R515N368-D389 WeakPolarHBondContact OD1-CA 3.46Å; D389-N391 PolarHBondContact O-N 3.3Å; D389-N391 WeakPolarHBondContact OD1-CA 3.37Å; D389-N391 PolarHBondContact OD1-N 2.57Å; D389-D392 PolarHBondContact O-N 3.02Å; D389-D392 VanDerWaalsContact O-N 3.12Å; D389-D392 PolarHBondContact OD1-N 2.81Å; D389-R393 PolarHBondContact N-O 2.95Å; D389-R393 WeakPolarHBondContact OD1-CB 3.17Å; D389-R393 PolarHBondContact OD1-N 2.92Å; D389-V395 HydrophobicContact CB-CG1 4.07Å; D389-R515 PolarHBondContact O-NH2 3.06Å
390A97.4Very high96.4Very high52 Ų5255 Ų5543%0.4332%0.315SS..THydrogen-bonded Turntrans-60.7-15.3179.700000115.1H366H366-A390 WeakPolarHBondContact O-CB 3.47Å
391N97.4Very high96.6Very high116 Ų11659.2 Ų59.262%0.6234%0.335SS*.THydrogen-bonded Turntrans-106.319.1-179.7-57.4-65.1000112.3D389 R393D389-N391 PolarHBondContact O-N 3.3Å; D389-N391 WeakPolarHBondContact OD1-CA 3.37Å; D389-N391 PolarHBondContact OD1-N 2.57Å; N391-R393 HydrophobicContact CB-CG 4.37Å; N391-R393 PolarHBondContact O-N 3.29Å
392D97.4Very high96.9Very high52 Ų5257.2 Ų57.228%0.27832%0.32SS..SBendtrans62.618.3-177.9-59.9-27.2000114.9D389 R515 L519D389-D392 PolarHBondContact O-N 3.02Å; D389-D392 VanDerWaalsContact O-N 3.12Å; D389-D392 PolarHBondContact OD1-N 2.81Å; D392-R515 IonicContact OD1-CZ 2.65Å; D392-R515 IonicContact OD1-NE 2.99Å; D392-R515 PolarHBondContact OD1-NE 3.19Å; D392-R515 IonicContact OD1-NH2 3.34Å; D392-R515 PolarHBondContact OD1-NH2 2.65Å; D392-L519 HydrophobicContact CB-CD2 4.18Å
393R97.3Very high97.2Very high173 Ų17357.8 Ų57.865%0.65332%0.322SS*.  trans-86.6133.7177.4-59.4178179.3177.3-0.1109.4F388 D389 N391 V395F388-R393 WeakPolarHBondContact CA-O 3.44Å; D389-R393 PolarHBondContact N-O 2.95Å; D389-R393 WeakPolarHBondContact OD1-CB 3.17Å; D389-R393 PolarHBondContact OD1-N 2.92Å; N391-R393 HydrophobicContact CB-CG 4.37Å; N391-R393 PolarHBondContact O-N 3.29Å; R393-V395 PolarHBondContact O-N 2.67Å
394Q96.9Very high97.4Very high101 Ų10154.7 Ų54.747%0.47230%0.304SS..BIsolated β-bridgetrans-69.7131.2176.6-169.7169.22.800110R387 F388R387-Q394 VanDerWaalsContact O-CA 3.23Å; R387-Q394 WeakPolarHBondContact O-CA 3.43Å; F388-Q394 HydrophobicContact CD1-CB 4.44Å; F388-Q394 HydrophobicContact CE1-CB 4.3Å
395V97.6Very high97.6Very high44 Ų4454 Ų5427%0.26729%0.292SS..  trans-122.9156-179.3-63.20000111.4R387 D389 R393 W398R387-V395 HydrophobicContact CB-CG2 3.73Å; R387-V395 WeakPolarHBondContact CB-O 3.44Å; R387-V395 PolarHBondContact O-N 2.81Å; D389-V395 HydrophobicContact CB-CG1 4.07Å; R393-V395 PolarHBondContact O-N 2.67Å; V395-W398 HydrophobicContact CG2-CZ2 3.83Å
396S95.1Very high97.6Very high106 Ų10651.8 Ų51.874%0.74128%0.281SS*.SBendtrans-84.5-29.4-176.155.70000113.6R387R387-S396 PolarHBondContact NH1-O 3.3Å
397S94.2Very high97.7Very high71 Ų7150.9 Ų50.950%0.49728%0.277SS..  trans-163.4160.9-176.256.60000112.3
398W96.8Very high97.7Very high41 Ų4150 Ų5016%0.15527%0.273CS..  trans-126.6179.3166.6-62.4-61.3000111.2N368 I369 R387 F388 V395 L402 A406N368-W398 HydrophobicContact CB-CH2 4.32Å; N368-W398 HydrophobicContact CB-CZ2 3.76Å; N368-W398 PolarHBondContact OD1-NE1 3.46Å; N368-W398 VanDerWaalsContact OD1-NE1 3.07Å; I369-W398 WeakPolarHBondContact O-CH2 3.37Å; R387-W398 HydrophobicContact CB-CE3 4.46Å; R387-W398 HydrophobicContact CB-CH2 3.36Å; R387-W398 HydrophobicContact CB-CZ2 3.6Å; R387-W398 HydrophobicContact CB-CZ3 3.83Å; R387-W398 HydrophobicContact CG-CE3 4.03Å; R387-W398 HydrophobicContact CG-CH2 3.57Å; R387-W398 HydrophobicContact CG-CZ2 4.2Å; R387-W398 HydrophobicContact CG-CZ3 3.47Å; R387-W398 VanDerWaalsContact CG-CZ3 3.47Å; F388-W398 WeakPolarHBondContact O-CZ2 3.05Å; V395-W398 HydrophobicContact CG2-CZ2 3.83Å; W398-L402 HydrophobicContact CB-CB 3.74Å; W398-L402 HydrophobicContact CB-CD1 4.15Å; W398-L402 HydrophobicContact CG-CB 4.23Å; W398-L402 HydrophobicContact CG-CD1 4.43Å; W398-A406 HydrophobicContact CE3-CB 4.12Å; W398-A406 HydrophobicContact CH2-CB 4.17Å; W398-A406 HydrophobicContact CZ3-CB 3.51Å
399S97.6Very high97.7Very high51 Ų5149.8 Ų49.836%0.35727%0.272SS..  trans-61.7154.8165.385.10000110.6E401 L402 E403S399-E401 VanDerWaalsContact CB-OE2 3.27Å; S399-E401 WeakPolarHBondContact CB-OE2 3.35Å; S399-E401 PolarHBondContact O-N 2.78Å; S399-E401 PolarHBondContact OG-OE2 3.27Å; S399-L402 PolarHBondContact O-N 2.86Å; S399-E403 PolarHBondContact O-N 3.35Å; S399-E403 VanDerWaalsContact O-N 3.07Å
400P98Very high97.7Very high58 Ų5848.5 Ų48.538%0.37727%0.267SS..Hα-helixtrans-52.2-37.3179.4-28.637.1000114.2C346 E403 V404C346-P400 HydrophobicContact CB-CB 3.84Å; C346-P400 WeakPolarHBondContact O-CB 3.47Å; P400-E403 WeakPolarHBondContact O-CB 3.4Å; P400-E403 PolarHBondContact O-N 3Å; P400-V404 WeakPolarHBondContact O-CG2 3.39Å; P400-V404 PolarHBondContact O-N 3.16Å; P400-V404 VanDerWaalsContact O-N 3.09Å
401E98.2Very high97.8Very high88 Ų8846.7 Ų46.741%0.41125%0.25SC..Hα-helixtrans-71-43.9-176.6-5273.1-160.400111.5A357 T361 S399 E403 V404 R405A357-E401 HydrophobicContact CB-CB 4.17Å; A357-E401 HydrophobicContact CB-CG 4.28Å; T361-E401 HydrophobicContact CG2-CB 3.76Å; S399-E401 VanDerWaalsContact CB-OE2 3.27Å; S399-E401 WeakPolarHBondContact CB-OE2 3.35Å; S399-E401 PolarHBondContact O-N 2.78Å; S399-E401 PolarHBondContact OG-OE2 3.27Å; E401-E403 VanDerWaalsContact C-N 3.28Å; E401-E403 PolarHBondContact O-N 2.91Å; E401-V404 PolarHBondContact O-N 3.29Å; E401-R405 PolarHBondContact O-N 2.95Å; E401-R405 VanDerWaalsContact O-N 3.11Å
402L98.5Very high97.9Very high33 Ų3341.1 Ų41.117%0.17322%0.22CC..Hα-helixtrans-64.6-35.5175.9-63.5-178.8000111.4T361 N365 W398 S399 A406T361-L402 HydrophobicContact CG2-CD2 4.29Å; N365-L402 PolarHBondContact ND2-O 3.32Å; N365-L402 WeakPolarHBondContact OD1-CD2 3.26Å; W398-L402 HydrophobicContact CB-CB 3.74Å; W398-L402 HydrophobicContact CB-CD1 4.15Å; W398-L402 HydrophobicContact CG-CB 4.23Å; W398-L402 HydrophobicContact CG-CD1 4.43Å; S399-L402 PolarHBondContact O-N 2.86Å; L402-A406 WeakPolarHBondContact O-CB 3.37Å; L402-A406 PolarHBondContact O-N 3.36Å
403E98.6Very high97.9Very high11 Ų1138.7 Ų38.75%0.05121%0.207CC..Hα-helixtrans-65.4-43.2177.1-167.475.2-158.200111.7V342 Y372 R387 S399 P400 E401 A406 L407V342-E403 HydrophobicContact CG1-CG 4.37Å; Y372-E403 HydrophobicContact CE1-CG 4.38Å; Y372-E403 WeakPolarHBondContact CE1-OE1 3.44Å; Y372-E403 VanDerWaalsContact CZ-OE1 3.25Å; Y372-E403 PolarHBondContact OH-O 3.08Å; Y372-E403 PolarHBondContact OH-OE1 2.84Å; R387-E403 IonicContact CZ-OE1 2.99Å; R387-E403 VanDerWaalsContact CZ-OE1 3.26Å; R387-E403 IonicContact CZ-OE2 3.08Å; R387-E403 IonicContact NE-OE1 2.82Å; R387-E403 PolarHBondContact NE-OE1 2.97Å; R387-E403 VanDerWaalsContact NE-OE1 3.08Å; R387-E403 IonicContact NE-OE2 2.68Å; R387-E403 PolarHBondContact NE-OE2 2.7Å; R387-E403 IonicContact NH2-OE1 3.28Å; R387-E403 PolarHBondContact NH2-OE1 3.12Å; R387-E403 IonicContact NH2-OE2 2.65Å; R387-E403 PolarHBondContact NH2-OE2 3.02Å; S399-E403 PolarHBondContact O-N 3.35Å; S399-E403 VanDerWaalsContact O-N 3.07Å; P400-E403 WeakPolarHBondContact O-CB 3.4Å; P400-E403 PolarHBondContact O-N 3Å; E401-E403 VanDerWaalsContact C-N 3.28Å; E401-E403 PolarHBondContact O-N 2.91Å; E403-A406 PolarHBondContact O-N 3.41Å; E403-L407 PolarHBondContact O-N 3Å
404V98.8Very high98Very high0 Ų030.7 Ų30.70%018%0.178CC..Hα-helixtrans-61.3-49.3176166.80000111V342 C346 C347 F354 A357 L358 P400 E401 L407 V408V342-V404 HydrophobicContact CG1-CG2 4.13Å; C346-V404 HydrophobicContact CB-CG2 4.09Å; C347-V404 VanDerWaalsContact SG-CG2 3.51Å; F354-V404 HydrophobicContact CD1-CG1 3.88Å; F354-V404 HydrophobicContact CD2-CB 4.49Å; F354-V404 HydrophobicContact CD2-CG1 3.85Å; F354-V404 HydrophobicContact CD2-CG2 3.86Å; F354-V404 HydrophobicContact CE1-CG1 3.76Å; F354-V404 HydrophobicContact CE2-CB 4.32Å; F354-V404 HydrophobicContact CE2-CG1 3.73Å; F354-V404 HydrophobicContact CE2-CG2 3.97Å; F354-V404 HydrophobicContact CG-CG1 3.93Å; F354-V404 HydrophobicContact CZ-CG1 3.69Å; A357-V404 HydrophobicContact CB-CB 3.97Å; A357-V404 HydrophobicContact CB-CG1 3.9Å; A357-V404 HydrophobicContact CB-CG2 4.15Å; L358-V404 HydrophobicContact CD2-CG1 3.83Å; L358-V404 HydrophobicContact CG-CG1 3.87Å; P400-V404 WeakPolarHBondContact O-CG2 3.39Å; P400-V404 PolarHBondContact O-N 3.16Å; P400-V404 VanDerWaalsContact O-N 3.09Å; E401-V404 PolarHBondContact O-N 3.29Å; V404-L407 PolarHBondContact O-N 3.22Å; V404-V408 WeakPolarHBondContact O-CG2 3.39Å; V404-V408 PolarHBondContact O-N 3.02Å
405R98.8Very high98Very high12 Ų1226.1 Ų26.15%0.04516%0.156CC..Hα-helixtrans-65.6-42.8178.2178.2166-80.4-87.2-1.6112.2L358 T361 P362 N365 E401 L407 V408 E409 Y509L358-R405 HydrophobicContact CD2-CB 4.25Å; L358-R405 PolarHBondContact O-NH2 2.98Å; T361-R405 PolarHBondContact O-NE 2.99Å; T361-R405 PolarHBondContact O-NH2 2.77Å; T361-R405 WeakPolarHBondContact OG1-CD 3.43Å; T361-R405 PolarHBondContact OG1-NE 3.19Å; P362-R405 WeakPolarHBondContact O-CD 3.1Å; P362-R405 PolarHBondContact O-NE 3.25Å; N365-R405 HydrophobicContact CB-CB 4.43Å; N365-R405 HydrophobicContact CB-CG 3.79Å; E401-R405 PolarHBondContact O-N 2.95Å; E401-R405 VanDerWaalsContact O-N 3.11Å; R405-L407 VanDerWaalsContact C-N 3.27Å; R405-L407 PolarHBondContact O-N 2.95Å; R405-V408 PolarHBondContact O-N 2.75Å; R405-E409 HydrophobicContact CG-CG 3.86Å; R405-E409 IonicContact CZ-OE1 2.85Å; R405-E409 IonicContact NH1-OE1 3.58Å; R405-E409 PolarHBondContact NH1-OE1 3.34Å; R405-E409 WeakPolarHBondContact O-CB 3.47Å; R405-E409 PolarHBondContact O-N 2.75Å; R405-Y509 PolarHBondContact NH1-OH 2.74Å
406A98.8Very high98.1Very high1 Ų125 Ų251%0.00815%0.147CC..Hα-helixtrans-58.6-39.5178.800000112.1N365 Y372 W398 L402 E403 G410N365-A406 PolarHBondContact ND2-N 3.05Å; Y372-A406 HydrophobicContact CE2-CB 4.26Å; W398-A406 HydrophobicContact CE3-CB 4.12Å; W398-A406 HydrophobicContact CH2-CB 4.17Å; W398-A406 HydrophobicContact CZ3-CB 3.51Å; L402-A406 WeakPolarHBondContact O-CB 3.37Å; L402-A406 PolarHBondContact O-N 3.36Å; E403-A406 PolarHBondContact O-N 3.41Å; A406-G410 WeakPolarHBondContact O-CA 3.5Å; A406-G410 PolarHBondContact O-N 3.23Å
407L98.8Very high98.2Very high0 Ų020.7 Ų20.70%012%0.116CC..Hα-helixtrans-61-53.9174.316765.4000111.7T338 R339 V342 F354 Y372 E403 V404 R405 G410 Q411T338-L407 HydrophobicContact CG2-CD1 3.65Å; R339-L407 HydrophobicContact CB-CD2 4.39Å; R339-L407 HydrophobicContact CG-CD2 4.08Å; V342-L407 HydrophobicContact CB-CD2 3.63Å; V342-L407 HydrophobicContact CG1-CD2 3.95Å; V342-L407 HydrophobicContact CG2-CD2 3.71Å; F354-L407 HydrophobicContact CE2-CD2 4.46Å; F354-L407 HydrophobicContact CZ-CD2 4.35Å; Y372-L407 HydrophobicContact CD1-CB 4.38Å; Y372-L407 HydrophobicContact CD1-CD1 4.04Å; Y372-L407 HydrophobicContact CD2-CB 4.06Å; Y372-L407 HydrophobicContact CD2-CD1 3.85Å; Y372-L407 HydrophobicContact CE1-CB 4.2Å; Y372-L407 VanDerWaalsContact CE2-CA 3.43Å; Y372-L407 HydrophobicContact CE2-CB 3.87Å; Y372-L407 HydrophobicContact CG-CB 4.36Å; Y372-L407 HydrophobicContact CG-CD1 3.62Å; E403-L407 PolarHBondContact O-N 3Å; V404-L407 PolarHBondContact O-N 3.22Å; R405-L407 VanDerWaalsContact C-N 3.27Å; R405-L407 PolarHBondContact O-N 2.95Å; L407-G410 PolarHBondContact O-N 3.38Å; L407-Q411 HydrophobicContact CD1-CG 4.16Å; L407-Q411 WeakPolarHBondContact O-CB 3.3Å; L407-Q411 WeakPolarHBondContact O-CG 3.2Å; L407-Q411 PolarHBondContact O-N 3.29Å
408V98.8Very high98.4Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-70.6-44.8-172.3-179.20000111.1F354 L358 V404 R405 Q411 F412 I444 V447F354-V408 HydrophobicContact CE1-CG2 3.75Å; F354-V408 HydrophobicContact CZ-CG2 3.68Å; L358-V408 HydrophobicContact CD1-CG2 4.39Å; L358-V408 HydrophobicContact CD2-CB 4.19Å; L358-V408 HydrophobicContact CD2-CG2 4.12Å; V404-V408 WeakPolarHBondContact O-CG2 3.39Å; V404-V408 PolarHBondContact O-N 3.02Å; R405-V408 PolarHBondContact O-N 2.75Å; V408-Q411 PolarHBondContact O-N 3.01Å; V408-F412 HydrophobicContact CG1-CD2 3.8Å; V408-F412 HydrophobicContact CG1-CE2 3.46Å; V408-F412 VanDerWaalsContact CG1-CE2 3.46Å; V408-F412 VanDerWaalsContact O-CD2 3.25Å; V408-F412 WeakPolarHBondContact O-CD2 3.2Å; V408-F412 PolarHBondContact O-N 3.21Å; V408-F412 VanDerWaalsContact O-N 3.13Å; V408-I444 HydrophobicContact CG1-CG2 4.3Å; V408-I444 HydrophobicContact CG2-CG1 4.5Å; V408-V447 HydrophobicContact CG1-CB 3.8Å; V408-V447 HydrophobicContact CG1-CG1 3.92Å; V408-V447 HydrophobicContact CG1-CG2 4.02Å
409E98.8Very high98.4Very high1 Ų115.5 Ų15.51%0.0059%0.086CC..Hα-helixtrans-62.7-44.2174.2-74.1-173.9158.900111.5G364 N365 R405 Q411 F412 L413 V447 Y509G364-E409 WeakPolarHBondContact CA-OE1 3.44Å; G364-E409 WeakPolarHBondContact CA-OE2 3.38Å; G364-E409 PolarHBondContact N-OE1 2.87Å; N365-E409 WeakPolarHBondContact CB-OE2 3.46Å; R405-E409 HydrophobicContact CG-CG 3.86Å; R405-E409 IonicContact CZ-OE1 2.85Å; R405-E409 IonicContact NH1-OE1 3.58Å; R405-E409 PolarHBondContact NH1-OE1 3.34Å; R405-E409 WeakPolarHBondContact O-CB 3.47Å; R405-E409 PolarHBondContact O-N 2.75Å; E409-Q411 VanDerWaalsContact C-N 3.34Å; E409-Q411 PolarHBondContact O-N 2.87Å; E409-F412 PolarHBondContact O-N 3.25Å; E409-L413 HydrophobicContact CB-CD1 4.44Å; E409-L413 VanDerWaalsContact O-CB 3.25Å; E409-L413 WeakPolarHBondContact O-CB 3.44Å; E409-L413 VanDerWaalsContact O-CG 3.22Å; E409-L413 WeakPolarHBondContact O-CG 3.36Å; E409-L413 PolarHBondContact O-N 3.44Å; E409-V447 HydrophobicContact CB-CG1 4.43Å; E409-V447 HydrophobicContact CG-CG1 3.62Å; E409-Y509 HydrophobicContact CG-CE1 4.09Å; E409-Y509 WeakPolarHBondContact OE1-CE1 3.32Å; E409-Y509 PolarHBondContact OE1-OH 2.91Å
410G98.7Very high98.4Very high7 Ų716 Ų167%0.0728%0.082CC..Hα-helixtrans-60.9-41.7178.500000112.7A406 L407 S414 F516A406-G410 WeakPolarHBondContact O-CA 3.5Å; A406-G410 PolarHBondContact O-N 3.23Å; L407-G410 PolarHBondContact O-N 3.38Å; G410-S414 VanDerWaalsContact O-CB 3.31Å; G410-S414 WeakPolarHBondContact O-CB 3.35Å; G410-S414 PolarHBondContact O-N 2.96Å; G410-F516 WeakPolarHBondContact O-CZ 3.47Å
411Q98.7Very high98.3Very high14 Ų1417.3 Ų17.37%0.0658%0.08CC..Hα-helixtrans-59.6-50.4173.9-79.6-174.4-22.800111.3N334 L407 V408 E409 S414 R415N334-Q411 PolarHBondContact O-NE2 3.33Å; L407-Q411 HydrophobicContact CD1-CG 4.16Å; L407-Q411 WeakPolarHBondContact O-CB 3.3Å; L407-Q411 WeakPolarHBondContact O-CG 3.2Å; L407-Q411 PolarHBondContact O-N 3.29Å; V408-Q411 PolarHBondContact O-N 3.01Å; E409-Q411 VanDerWaalsContact C-N 3.34Å; E409-Q411 PolarHBondContact O-N 2.87Å; Q411-S414 PolarHBondContact O-N 2.7Å; Q411-R415 VanDerWaalsContact C-NH1 3.28Å; Q411-R415 WeakPolarHBondContact O-CD 3.22Å; Q411-R415 WeakPolarHBondContact O-CG 3.36Å; Q411-R415 PolarHBondContact O-N 3.4Å; Q411-R415 VanDerWaalsContact O-N 3.08Å; Q411-R415 PolarHBondContact O-NH1 3.43Å
412F98.8Very high98.2Very high0 Ų013.1 Ų13.10%06%0.06CC..Hα-helixtrans-73.7-33.7-177.4-64-47.4000113.8L295 V408 E409 R415 R416 I444 V447 L448 V451L295-F412 HydrophobicContact CD2-CE1 4.11Å; L295-F412 HydrophobicContact CD2-CZ 4.46Å; V408-F412 HydrophobicContact CG1-CD2 3.8Å; V408-F412 HydrophobicContact CG1-CE2 3.46Å; V408-F412 VanDerWaalsContact CG1-CE2 3.46Å; V408-F412 VanDerWaalsContact O-CD2 3.25Å; V408-F412 WeakPolarHBondContact O-CD2 3.2Å; V408-F412 PolarHBondContact O-N 3.21Å; V408-F412 VanDerWaalsContact O-N 3.13Å; E409-F412 PolarHBondContact O-N 3.25Å; F412-R415 PolarHBondContact O-N 3.13Å; F412-R416 PolarHBondContact O-N 3.43Å; F412-I444 HydrophobicContact CE2-CG2 3.87Å; F412-I444 WeakPolarHBondContact CE2-O 3.42Å; F412-I444 HydrophobicContact CZ-CG2 3.73Å; F412-V447 HydrophobicContact CD2-CB 4.15Å; F412-V447 HydrophobicContact CD2-CG1 3.94Å; F412-V447 HydrophobicContact CE2-CB 4.34Å; F412-L448 HydrophobicContact CD1-CB 4.23Å; F412-L448 HydrophobicContact CD1-CD1 3.48Å; F412-L448 VanDerWaalsContact CD1-CD1 3.48Å; F412-L448 HydrophobicContact CD1-CG 4.4Å; F412-L448 HydrophobicContact CD2-CB 4Å; F412-L448 HydrophobicContact CE1-CB 4.02Å; F412-L448 HydrophobicContact CE1-CD1 3.68Å; F412-L448 HydrophobicContact CE1-CD2 4.43Å; F412-L448 HydrophobicContact CE1-CG 4.25Å; F412-L448 HydrophobicContact CE2-CB 3.74Å; F412-L448 HydrophobicContact CG-CB 4.24Å; F412-L448 HydrophobicContact CG-CD1 4.02Å; F412-L448 HydrophobicContact CZ-CB 3.77Å; F412-L448 HydrophobicContact CZ-CD1 4.32Å; F412-L448 HydrophobicContact CZ-CG 4.45Å; F412-V451 HydrophobicContact CB-CB 4.01Å; F412-V451 HydrophobicContact CB-CG1 3.96Å; F412-V451 HydrophobicContact CB-CG2 4.03Å
413L98.8Very high98Very high1 Ų112.6 Ų12.61%0.0056%0.062CC..Hα-helixtrans-62.2-43.8172.4-76.1168.3000111E409 R416 L417 V451 Y509 M512 L513 F516E409-L413 HydrophobicContact CB-CD1 4.44Å; E409-L413 VanDerWaalsContact O-CB 3.25Å; E409-L413 WeakPolarHBondContact O-CB 3.44Å; E409-L413 VanDerWaalsContact O-CG 3.22Å; E409-L413 WeakPolarHBondContact O-CG 3.36Å; E409-L413 PolarHBondContact O-N 3.44Å; L413-R416 PolarHBondContact O-N 3.41Å; L413-L417 VanDerWaalsContact O-CB 3.29Å; L413-L417 WeakPolarHBondContact O-CB 3.45Å; L413-L417 PolarHBondContact O-N 3.38Å; L413-V451 HydrophobicContact CD2-CG1 4.15Å; L413-V451 HydrophobicContact CG-CG1 4.4Å; L413-Y509 HydrophobicContact CD2-CD1 4.22Å; L413-M512 HydrophobicContact CD1-CE 3.77Å; L413-M512 HydrophobicContact CD1-CG 3.98Å; L413-M512 HydrophobicContact CD1-SD 3.94Å; L413-L513 HydrophobicContact CB-CD1 4.32Å; L413-L513 HydrophobicContact CD2-CB 4.18Å; L413-L513 HydrophobicContact CD2-CD1 3.75Å; L413-L513 WeakPolarHBondContact O-CD1 3.47Å; L413-F516 HydrophobicContact CB-CD1 4.22Å; L413-F516 HydrophobicContact CB-CD2 3.84Å; L413-F516 HydrophobicContact CB-CE1 4.41Å; L413-F516 HydrophobicContact CB-CE2 4.04Å; L413-F516 HydrophobicContact CB-CG 3.95Å; L413-F516 HydrophobicContact CB-CZ 4.31Å; L413-F516 HydrophobicContact CD1-CB 4.47Å; L413-F516 HydrophobicContact CD1-CD2 3.88Å; L413-F516 HydrophobicContact CD1-CG 4.36Å
414S98.3Very high97.9Very high5 Ų512.6 Ų12.64%0.0356%0.062CC..Hα-helixtrans-58.1-49.5173.3178.80000111.1F332 G410 Q411 R416 L417 H418F332-S414 WeakPolarHBondContact CE1-OG 3.37Å; G410-S414 VanDerWaalsContact O-CB 3.31Å; G410-S414 WeakPolarHBondContact O-CB 3.35Å; G410-S414 PolarHBondContact O-N 2.96Å; Q411-S414 PolarHBondContact O-N 2.7Å; S414-R416 VanDerWaalsContact C-N 3.35Å; S414-R416 PolarHBondContact O-N 2.81Å; S414-L417 PolarHBondContact O-N 2.86Å; S414-H418 PolarHBondContact O-CD2 2.83Å; S414-H418 PolarHBondContact O-N 3.3Å
415R98Very high97.6Very high5 Ų516.7 Ų16.72%0.0199%0.091CC..Hα-helixtrans-58.2-44.9178-73.7148.9-172.261.1-0.7112.2D299 L301 F332 Q411 F412 A419 F452D299-R415 IonicContact OD2-CZ 3.62Å; D299-R415 IonicContact OD2-NE 3.4Å; D299-R415 IonicContact OD2-NH2 2.67Å; D299-R415 PolarHBondContact OD2-NH2 2.91Å; L301-R415 HydrophobicContact CD2-CB 4.27Å; F332-R415 HydrophobicContact CD2-CG 3.96Å; F332-R415 HydrophobicContact CE1-CG 4.25Å; F332-R415 HydrophobicContact CE2-CB 4.42Å; F332-R415 HydrophobicContact CE2-CG 3.52Å; F332-R415 HydrophobicContact CZ-CB 4.3Å; F332-R415 HydrophobicContact CZ-CG 3.68Å; Q411-R415 VanDerWaalsContact C-NH1 3.28Å; Q411-R415 WeakPolarHBondContact O-CD 3.22Å; Q411-R415 WeakPolarHBondContact O-CG 3.36Å; Q411-R415 PolarHBondContact O-N 3.4Å; Q411-R415 VanDerWaalsContact O-N 3.08Å; Q411-R415 PolarHBondContact O-NH1 3.43Å; F412-R415 PolarHBondContact O-N 3.13Å; R415-A419 VanDerWaalsContact O-CB 3.28Å; R415-A419 WeakPolarHBondContact O-CB 3.48Å; R415-A419 PolarHBondContact O-N 3.29Å; R415-F452 HydrophobicContact CB-CE2 4.34Å; R415-F452 HydrophobicContact CB-CZ 4.05Å
416R98.2Very high97.3Very high19 Ų1918.3 Ų18.37%0.07210%0.1CC..Hα-helixtrans-64.2-48.1177.5179.5173.7170.9-169.9-8.4111.6F412 L413 S414 H418 A419 E420 V451 F452 D510 L513F412-R416 PolarHBondContact O-N 3.43Å; L413-R416 PolarHBondContact O-N 3.41Å; S414-R416 VanDerWaalsContact C-N 3.35Å; S414-R416 PolarHBondContact O-N 2.81Å; R416-H418 PolarHBondContact O-N 3.35Å; R416-A419 PolarHBondContact O-N 3.02Å; R416-E420 HydrophobicContact CG-CG 4.47Å; R416-E420 IonicContact CZ-OE1 3.91Å; R416-E420 IonicContact NE-OE1 3.99Å; R416-E420 PolarHBondContact NE-OE1 3.37Å; R416-E420 IonicContact NH2-OE1 3.94Å; R416-E420 PolarHBondContact NH2-OE1 3.5Å; R416-E420 WeakPolarHBondContact O-CG 3.47Å; R416-E420 PolarHBondContact O-N 2.92Å; R416-V451 HydrophobicContact CB-CG1 4.12Å; R416-V451 WeakPolarHBondContact CD-O 3.37Å; R416-V451 PolarHBondContact NH1-O 2.84Å; R416-F452 HydrophobicContact CB-CD1 4.39Å; R416-F452 HydrophobicContact CB-CE1 3.86Å; R416-F452 HydrophobicContact CB-CE2 4.14Å; R416-F452 HydrophobicContact CB-CZ 3.74Å; R416-F452 HydrophobicContact CG-CD1 4.44Å; R416-F452 HydrophobicContact CG-CE1 4.22Å; R416-D510 IonicContact CZ-OD1 3.08Å; R416-D510 IonicContact NH1-OD1 2.7Å; R416-D510 PolarHBondContact NH1-OD1 3.47Å; R416-D510 IonicContact NH2-OD1 3Å; R416-D510 PolarHBondContact NH2-OD1 3.27Å; R416-L513 HydrophobicContact CB-CD1 4.23Å; R416-L513 HydrophobicContact CG-CD1 4.24Å; R416-L513 HydrophobicContact CG-CD2 3.95Å
417L98.1Very high97Very high16 Ų1620.2 Ų20.28%0.08412%0.119CC..Hα-helixtrans-57.1-49.2-179.7176.460.5000111.4L413 S414 E420 R421 L513 F516 A517L413-L417 VanDerWaalsContact O-CB 3.29Å; L413-L417 WeakPolarHBondContact O-CB 3.45Å; L413-L417 PolarHBondContact O-N 3.38Å; S414-L417 PolarHBondContact O-N 2.86Å; L417-E420 PolarHBondContact O-N 3.09Å; L417-R421 WeakPolarHBondContact O-CG 3.39Å; L417-R421 PolarHBondContact O-N 3.11Å; L417-L513 HydrophobicContact CB-CD1 3.88Å; L417-F516 HydrophobicContact CD2-CD1 3.92Å; L417-F516 HydrophobicContact CD2-CE1 4.27Å; L417-A517 HydrophobicContact CD1-CB 3.79Å; L417-A517 HydrophobicContact CD2-CB 3.72Å; L417-A517 HydrophobicContact CG-CB 4.44Å
418H97.8Very high96.4Very high4 Ų427 Ų272%0.01917%0.167CC..Hα-helixtrans-72.6-31.3-177.9-72.8-73.9000112.6E313 L330 F332 T379 S414 R416 R421 L422 E520E313-H418 IonicContact OE2-CE1 2.83Å; E313-H418 PolarHBondContact OE2-CE1 3.24Å; E313-H418 IonicContact OE2-ND1 3.62Å; E313-H418 PolarHBondContact OE2-ND1 3.44Å; L330-H418 HydrophobicContact CD1-CB 3.85Å; L330-H418 HydrophobicContact CD2-CB 4.29Å; F332-H418 HydrophobicContact CZ-CB 4.48Å; T379-H418 HydrophobicContact CG2-CB 3.81Å; T379-H418 VanDerWaalsContact CG2-CG 3.41Å; S414-H418 PolarHBondContact O-CD2 2.83Å; S414-H418 PolarHBondContact O-N 3.3Å; R416-H418 PolarHBondContact O-N 3.35Å; H418-R421 PolarHBondContact CE1-NH1 3.43Å; H418-R421 PolarHBondContact ND1-NH1 3.35Å; H418-R421 PolarHBondContact O-N 3.49Å; H418-L422 PolarHBondContact O-N 3.25Å; H418-E520 IonicContact CD2-OE1 3.68Å; H418-E520 IonicContact CE1-OE1 3.69Å; H418-E520 IonicContact CE1-OE2 2.89Å; H418-E520 IonicContact NE2-OE1 3.95Å; H418-E520 PolarHBondContact NE2-OE1 2.94Å; H418-E520 IonicContact NE2-OE2 3.51Å
419A97.4Very high95.9Very high0 Ų029.9 Ų29.90%020%0.197CC..Hα-helixtrans-62.4-49169.400000111.6L301 L303 R415 R416 R421 L422 G423 Y424L301-A419 HydrophobicContact CD2-CB 3.85Å; L303-A419 HydrophobicContact CD1-CB 3.69Å; L303-A419 HydrophobicContact CD2-CB 3.92Å; L303-A419 HydrophobicContact CG-CB 4.47Å; R415-A419 VanDerWaalsContact O-CB 3.28Å; R415-A419 WeakPolarHBondContact O-CB 3.48Å; R415-A419 PolarHBondContact O-N 3.29Å; R416-A419 PolarHBondContact O-N 3.02Å; A419-R421 VanDerWaalsContact C-N 3.25Å; A419-R421 PolarHBondContact O-N 2.83Å; A419-L422 WeakPolarHBondContact O-CA 3.4Å; A419-L422 PolarHBondContact O-N 3.4Å; A419-G423 PolarHBondContact O-N 3.49Å; A419-Y424 HydrophobicContact CB-CD1 4.04Å; A419-Y424 HydrophobicContact CB-CG 4.19Å; A419-Y424 WeakPolarHBondContact O-CB 3.48Å; A419-Y424 PolarHBondContact O-N 3.47Å; A419-Y424 VanDerWaalsContact O-N 3.15Å
420E96.9Very high95.7Very high61 Ų6130.2 Ų30.229%0.28520%0.199SC..Hα-helixtrans-60.9-34.4179.1-72.1-179.8-170.900111.9R416 L417 L422 G423 Y424 L513R416-E420 HydrophobicContact CG-CG 4.47Å; R416-E420 IonicContact CZ-OE1 3.91Å; R416-E420 IonicContact NE-OE1 3.99Å; R416-E420 PolarHBondContact NE-OE1 3.37Å; R416-E420 IonicContact NH2-OE1 3.94Å; R416-E420 PolarHBondContact NH2-OE1 3.5Å; R416-E420 WeakPolarHBondContact O-CG 3.47Å; R416-E420 PolarHBondContact O-N 2.92Å; L417-E420 PolarHBondContact O-N 3.09Å; E420-L422 VanDerWaalsContact C-N 3.28Å; E420-L422 PolarHBondContact O-N 2.67Å; E420-G423 PolarHBondContact O-N 2.8Å; E420-G423 VanDerWaalsContact O-N 3.08Å; E420-Y424 WeakPolarHBondContact CA-O 3.25Å; E420-L513 WeakPolarHBondContact OE2-CD2 3.29Å
421R96Very high95.5Very high85 Ų8532 Ų3232%0.32120%0.204SC..Hα-helixtrans-62.1-32.3172.5-75.5178.2178.2159.25113.2L417 H418 A419 G423 E520L417-R421 WeakPolarHBondContact O-CG 3.39Å; L417-R421 PolarHBondContact O-N 3.11Å; H418-R421 PolarHBondContact CE1-NH1 3.43Å; H418-R421 PolarHBondContact ND1-NH1 3.35Å; H418-R421 PolarHBondContact O-N 3.49Å; A419-R421 VanDerWaalsContact C-N 3.25Å; A419-R421 PolarHBondContact O-N 2.83Å; R421-G423 PolarHBondContact O-N 2.81Å; R421-E520 IonicContact CZ-OE2 3.55Å; R421-E520 IonicContact NH1-OE2 2.81Å; R421-E520 PolarHBondContact NH1-OE2 3.35Å; R421-E520 IonicContact NH2-OE2 3.43Å; R421-E520 PolarHBondContact NH2-OE2 3.16Å
422L96.4Very high95.4Very high1 Ų131.4 Ų31.41%0.00520%0.201CC..THydrogen-bonded Turntrans-81.24.6175.5-66.8-175.3000114.1L303 R309 V316 A328 L330 H418 A419 E420L303-L422 HydrophobicContact CD1-CD1 4.43Å; R309-L422 PolarHBondContact N-O 2.91Å; R309-L422 WeakPolarHBondContact O-CA 3.34Å; R309-L422 WeakPolarHBondContact O-CD2 3.36Å; V316-L422 HydrophobicContact CG2-CD2 4.48Å; A328-L422 HydrophobicContact CB-CD1 3.81Å; L330-L422 HydrophobicContact CD1-CD1 3.91Å; L330-L422 HydrophobicContact CD2-CD1 3.84Å; L330-L422 HydrophobicContact CG-CD1 3.8Å; H418-L422 PolarHBondContact O-N 3.25Å; A419-L422 WeakPolarHBondContact O-CA 3.4Å; A419-L422 PolarHBondContact O-N 3.4Å; E420-L422 VanDerWaalsContact C-N 3.28Å; E420-L422 PolarHBondContact O-N 2.67Å
423G94.7Very high95.2Very high21 Ų2131.6 Ų31.622%0.21620%0.202CC..THydrogen-bonded Turntrans91.97.8-179.700000114.2A419 E420 R421A419-G423 PolarHBondContact O-N 3.49Å; E420-G423 PolarHBondContact O-N 2.8Å; E420-G423 VanDerWaalsContact O-N 3.08Å; R421-G423 PolarHBondContact O-N 2.81Å
424Y95.5Very high95Very high11 Ų1131.6 Ų31.64%0.04320%0.202CC..  trans-67.7145.9171.7-179.7-99.4000111.1G289 I291 L303 L305 A419 E420 I426 T430G289-Y424 PolarHBondContact O-OH 3.21Å; G289-Y424 VanDerWaalsContact O-OH 3.12Å; I291-Y424 HydrophobicContact CD1-CD1 4.2Å; I291-Y424 HydrophobicContact CD1-CE1 3.44Å; I291-Y424 VanDerWaalsContact CD1-CE1 3.44Å; I291-Y424 HydrophobicContact CD1-CE2 3.98Å; I291-Y424 WeakPolarHBondContact CD1-OH 3.2Å; I291-Y424 HydrophobicContact CG1-CD2 4.38Å; I291-Y424 HydrophobicContact CG1-CE1 4.01Å; I291-Y424 HydrophobicContact CG1-CE2 3.56Å; I291-Y424 VanDerWaalsContact CG1-OH 3.3Å; I291-Y424 WeakPolarHBondContact CG1-OH 3.26Å; L303-Y424 HydrophobicContact CD2-CD2 4.02Å; L303-Y424 HydrophobicContact CD2-CE2 4.49Å; L303-Y424 HydrophobicContact CD2-CG 4.16Å; L305-Y424 HydrophobicContact CD2-CD2 4.14Å; A419-Y424 HydrophobicContact CB-CD1 4.04Å; A419-Y424 HydrophobicContact CB-CG 4.19Å; A419-Y424 WeakPolarHBondContact O-CB 3.48Å; A419-Y424 PolarHBondContact O-N 3.47Å; A419-Y424 VanDerWaalsContact O-N 3.15Å; E420-Y424 WeakPolarHBondContact CA-O 3.25Å; Y424-I426 HydrophobicContact CE1-CG1 3.72Å; Y424-T430 WeakPolarHBondContact OH-CG2 3.25Å; Y424-T430 PolarHBondContact OH-OG1 3.41Å
425S93.3Very high94.7Very high87 Ų8733.1 Ų33.161%0.60821%0.211SC*.  trans-140.7143.4172.159.60000110.5G427S425-G427 PolarHBondContact O-N 3.44Å
426I93.6Very high94.1Very high45 Ų4534.3 Ų34.323%0.23123%0.225CC..  trans-81.9113.7177.3-61.8159.3000108.1Y424 T430 F452Y424-I426 HydrophobicContact CE1-CG1 3.72Å; I426-T430 HydrophobicContact CG2-CG2 4.46Å; I426-F452 HydrophobicContact CD1-CD1 4.4Å; I426-F452 WeakPolarHBondContact CD1-O 3.24Å; I426-F452 WeakPolarHBondContact CG2-O 3.47Å
427G91.1Very high93.6Very high41 Ų4136.7 Ų36.742%0.42326%0.255SS..  trans-100.9170.6176.700000112.6S425 G429 T430S425-G427 PolarHBondContact O-N 3.44Å; G427-G429 PolarHBondContact O-N 3.43Å; G427-G429 VanDerWaalsContact O-N 3.14Å; G427-T430 PolarHBondContact N-OG1 3.48Å; G427-T430 WeakPolarHBondContact O-CB 3.37Å; G427-T430 PolarHBondContact O-N 3.3Å; G427-T430 VanDerWaalsContact O-N 3.15Å; G427-T430 PolarHBondContact O-OG1 2.92Å
428S86.8Confident93.3Very high143 Ų14336.5 Ų36.5100%126%0.256SS*.THydrogen-bonded Turntrans-63.4-19178.457.30000114.3
429G88.1Confident93.1Very high61 Ų6137.6 Ų37.663%0.62926%0.264SS*.THydrogen-bonded Turntrans-102.40.9178.100000114.8G427 R431G427-G429 PolarHBondContact O-N 3.43Å; G427-G429 VanDerWaalsContact O-N 3.14Å; G429-R431 PolarHBondContact O-N 3.36Å
430T94.1Very high92.9Very high7 Ų742.1 Ų42.14%0.04330%0.301CS..  trans-59.9131.8-175.6-72.90000111.5G289 Y424 I426 G427 A454 P455G289-T430 WeakPolarHBondContact O-CB 3.23Å; G289-T430 WeakPolarHBondContact O-CG2 3.34Å; G289-T430 PolarHBondContact O-OG1 2.92Å; Y424-T430 WeakPolarHBondContact OH-CG2 3.25Å; Y424-T430 PolarHBondContact OH-OG1 3.41Å; I426-T430 HydrophobicContact CG2-CG2 4.46Å; G427-T430 PolarHBondContact N-OG1 3.48Å; G427-T430 WeakPolarHBondContact O-CB 3.37Å; G427-T430 PolarHBondContact O-N 3.3Å; G427-T430 VanDerWaalsContact O-N 3.15Å; G427-T430 PolarHBondContact O-OG1 2.92Å; T430-A454 HydrophobicContact CG2-CB 3.66Å; T430-P455 WeakPolarHBondContact O-CD 3.49Å
431R94.8Very high92.9Very high46 Ų4640.1 Ų40.117%0.17429%0.293CS..  trans-113.9146.5166.7-50.8178.5-63.2178.85.1109.8C285 H287 D290 I291 G429 L433 Y457C285-R431 PolarHBondContact O-NH2 3.09Å; H287-R431 PolarHBondContact CD2-NH2 3Å; H287-R431 PolarHBondContact CE1-NH2 2.81Å; H287-R431 VanDerWaalsContact CE1-NH2 3.26Å; H287-R431 PolarHBondContact ND1-NH2 2.94Å; H287-R431 PolarHBondContact NE2-NH2 3.12Å; H287-R431 VanDerWaalsContact NE2-NH2 3.13Å; D290-R431 WeakPolarHBondContact CA-O 3.37Å; D290-R431 VanDerWaalsContact OD1-CB 3.26Å; D290-R431 WeakPolarHBondContact OD1-CB 3.33Å; D290-R431 WeakPolarHBondContact OD1-CG 3.38Å; D290-R431 PolarHBondContact OD1-N 2.95Å; D290-R431 IonicContact OD1-NE 2.75Å; D290-R431 PolarHBondContact OD1-NE 3.09Å; D290-R431 IonicContact OD2-CZ 3.6Å; D290-R431 VanDerWaalsContact OD2-CZ 3.26Å; D290-R431 IonicContact OD2-NE 3.83Å; D290-R431 PolarHBondContact OD2-NE 3.48Å; D290-R431 IonicContact OD2-NH2 2.6Å; D290-R431 PolarHBondContact OD2-NH2 2.81Å; I291-R431 PolarHBondContact N-O 3.07Å; G429-R431 PolarHBondContact O-N 3.36Å; R431-L433 HydrophobicContact CB-CD1 4.18Å; R431-Y457 HydrophobicContact CB-CD2 3.97Å; R431-Y457 HydrophobicContact CB-CE2 3.76Å; R431-Y457 HydrophobicContact CG-CD2 4.44Å; R431-Y457 HydrophobicContact CG-CE2 3.79Å
432V96.4Very high92.9Very high0 Ų043.5 Ų43.50%031%0.305CS..EExtended strand (participates in β ladder)trans-112.3118171.3179.80000108.6I291 V293 L448 F452 A454 P455 V456 Y457I291-V432 CarbonylContact O-C 3.38Å; I291-V432 WeakPolarHBondContact O-CA 3.47Å; V293-V432 HydrophobicContact CG2-CG1 3.96Å; V432-L448 HydrophobicContact CG1-CD1 4.14Å; V432-L448 HydrophobicContact CG1-CD2 3.66Å; V432-L448 HydrophobicContact CG1-CG 3.9Å; V432-F452 HydrophobicContact CG2-CB 3.98Å; V432-F452 HydrophobicContact CG2-CG 4.34Å; V432-A454 HydrophobicContact CG2-CB 3.9Å; V432-P455 PolarHBondContact N-O 2.77Å; V432-V456 HydrophobicContact CB-CG2 3.94Å; V432-V456 HydrophobicContact CG1-CG2 4.11Å; V432-V456 CarbonylContact O-C 3.46Å; V432-V456 VanDerWaalsContact O-CA 3.25Å; V432-V456 WeakPolarHBondContact O-CA 3.44Å; V432-Y457 PolarHBondContact O-N 3.39Å
433L95.4Very high93Very high4 Ų445.7 Ų45.72%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-94.9126.4174-75.673.7000108.8M284 L286 I291 A292 V293 R431 Y457M284-L433 HydrophobicContact CB-CD2 4.21Å; M284-L433 WeakPolarHBondContact O-CD2 3.28Å; L286-L433 HydrophobicContact CD2-CB 4.39Å; L286-L433 HydrophobicContact CD2-CD1 3.77Å; L286-L433 HydrophobicContact CD2-CD2 3.83Å; L286-L433 HydrophobicContact CD2-CG 4.2Å; I291-L433 PolarHBondContact O-N 3.11Å; A292-L433 CarbonylContact C-O 3.52Å; A292-L433 VanDerWaalsContact CA-O 3.22Å; A292-L433 WeakPolarHBondContact CA-O 3.14Å; A292-L433 HydrophobicContact CB-CB 4.18Å; V293-L433 PolarHBondContact N-O 2.91Å; R431-L433 HydrophobicContact CB-CD1 4.18Å; L433-Y457 CarbonylContact C-O 3.59Å; L433-Y457 WeakPolarHBondContact CA-O 3.36Å
434A94.4Very high93.2Very high1 Ų144.9 Ų44.91%0.00831%0.306CS..EExtended strand (participates in β ladder)trans-112.7136.2176.500000110.8V293 L445 L448 V456 Y457 T458V293-A434 WeakPolarHBondContact O-CA 3.49Å; A434-L445 HydrophobicContact CB-CD1 4.47Å; A434-L445 HydrophobicContact CB-CD2 3.44Å; A434-L445 VanDerWaalsContact CB-CD2 3.44Å; A434-L448 HydrophobicContact CB-CD2 4.1Å; A434-V456 HydrophobicContact CB-CG1 4Å; A434-Y457 PolarHBondContact N-O 3.41Å; A434-T458 HydrophobicContact CB-CG2 4.44Å
435T90.9Very high93.4Very high38 Ų3844.3 Ų44.323%0.23330%0.304CS..EExtended strand (participates in β ladder)trans-139.9177.4174.4-169.60000110.7V293 L295V293-T435 PolarHBondContact O-N 2.99Å; L295-T435 WeakPolarHBondContact CB-O 3.33Å; L295-T435 PolarHBondContact N-O 2.85Å
436G86.6Confident93.6Very high30 Ų3042.2 Ų42.231%0.30928%0.284SS..EExtended strand (participates in β ladder)trans82.9175.7-176.500000113.4L295 A438 S439L295-G436 CarbonylContact O-C 3.55Å; L295-G436 WeakPolarHBondContact O-CA 3.36Å; G436-A438 VanDerWaalsContact C-N 3.3Å; G436-A438 PolarHBondContact O-N 2.52Å; G436-S439 WeakPolarHBondContact O-CB 3.45Å; G436-S439 PolarHBondContact O-N 2.62Å; G436-S439 PolarHBondContact O-OG 2.81Å
437G86.9Confident93.9Very high68 Ų6840.1 Ų40.170%0.70127%0.274SS*.G310 helixtrans-58.8-36.9-16700000114.3L295 S439 A440L295-G437 PolarHBondContact O-N 3.04Å; G437-S439 VanDerWaalsContact C-N 3.26Å; G437-S439 PolarHBondContact O-N 3.39Å; G437-A440 PolarHBondContact O-N 2.7Å
438A92.8Very high94.2Very high13 Ų1338.2 Ų38.211%0.10725%0.254CS..G310 helixtrans-74.9-13.1179.200000113.8L295 G436 A440 N441 I444L295-A438 HydrophobicContact CB-CB 3.78Å; L295-A438 HydrophobicContact CD1-CB 3.94Å; L295-A438 HydrophobicContact CG-CB 4.42Å; G436-A438 VanDerWaalsContact C-N 3.3Å; G436-A438 PolarHBondContact O-N 2.52Å; A438-A440 PolarHBondContact O-N 3.44Å; A438-N441 PolarHBondContact O-N 2.88Å; A438-N441 VanDerWaalsContact O-N 3.12Å; A438-I444 HydrophobicContact CB-CD1 4.28Å
439S92.6Very high94.8Very high26 Ų2631.4 Ų31.418%0.18221%0.206CC..G310 helixtrans-69-13.9174.172.10000113.6G436 G437 N441 L445G436-S439 WeakPolarHBondContact O-CB 3.45Å; G436-S439 PolarHBondContact O-N 2.62Å; G436-S439 PolarHBondContact O-OG 2.81Å; G437-S439 VanDerWaalsContact C-N 3.26Å; G437-S439 PolarHBondContact O-N 3.39Å; S439-N441 VanDerWaalsContact C-N 3.26Å; S439-N441 PolarHBondContact O-N 3.32Å; S439-L445 VanDerWaalsContact O-CD1 3.25Å; S439-L445 WeakPolarHBondContact O-CD1 3.4Å
440A93.1Very high95.3Very high95 Ų9528.6 Ų28.679%0.78518%0.177SC*.G310 helixtrans-73.3-16.6171.300000113.2G437 A438G437-A440 PolarHBondContact O-N 2.7Å; A438-A440 PolarHBondContact O-N 3.44Å
441N97Very high95.5Very high20 Ų2028.2 Ų28.211%0.10718%0.175CC..  trans-95.2108.3-178.5-173.1-55.9000110.9S355 A438 S439 Q443 I444 L445S355-N441 PolarHBondContact OG-ND2 3.26Å; A438-N441 PolarHBondContact O-N 2.88Å; A438-N441 VanDerWaalsContact O-N 3.12Å; S439-N441 VanDerWaalsContact C-N 3.26Å; S439-N441 PolarHBondContact O-N 3.32Å; N441-Q443 VanDerWaalsContact C-N 3.32Å; N441-Q443 PolarHBondContact O-N 2.81Å; N441-Q443 PolarHBondContact OD1-N 3.17Å; N441-I444 HydrophobicContact CB-CB 4.15Å; N441-I444 HydrophobicContact CB-CD1 3.88Å; N441-I444 HydrophobicContact CB-CG1 4.04Å; N441-I444 PolarHBondContact O-N 3.08Å; N441-I444 PolarHBondContact OD1-N 3.43Å; N441-L445 WeakPolarHBondContact O-CG 3.21Å; N441-L445 PolarHBondContact O-N 3.46Å; N441-L445 VanDerWaalsContact O-N 3.12Å
442R97.6Very high95.7Very high156 Ų15626 Ų2659%0.58917%0.167SC*.Hα-helixtrans-62.4-35.9-176.3-171.3175.2-172.3-153.70.4113.2L445 Q446 V498R442-L445 CarbonylContact O-C 3.44Å; R442-L445 PolarHBondContact O-N 3.23Å; R442-Q446 PolarHBondContact O-N 2.85Å; R442-V498 HydrophobicContact CG-CG1 4.1Å
443Q98.4Very high95.7Very high47 Ų4729.2 Ų29.222%0.2218%0.183CC..Hα-helixtrans-69.8-38.1-179.8-76.275.94.300111.7L358 D359 N441 L445 Q446 V447L358-Q443 HydrophobicContact CB-CB 3.95Å; L358-Q443 HydrophobicContact CB-CG 4.5Å; L358-Q443 HydrophobicContact CD1-CB 3.73Å; L358-Q443 HydrophobicContact CG-CB 4.5Å; D359-Q443 VanDerWaalsContact OD1-CG 3.23Å; D359-Q443 WeakPolarHBondContact OD1-CG 3.48Å; D359-Q443 PolarHBondContact OD2-NE2 3.33Å; N441-Q443 VanDerWaalsContact C-N 3.32Å; N441-Q443 PolarHBondContact O-N 2.81Å; N441-Q443 PolarHBondContact OD1-N 3.17Å; Q443-L445 VanDerWaalsContact C-N 3.34Å; Q443-Q446 PolarHBondContact O-N 3.48Å; Q443-V447 PolarHBondContact O-N 3.47Å
444I98.6Very high95.8Very high3 Ų329.1 Ų29.12%0.01518%0.183CC..Hα-helixtrans-60.7-46.2170.2-67.5178.8000110F354 L358 V408 F412 A438 N441 Q446 V447 L448F354-I444 HydrophobicContact CD1-CD1 4.5Å; F354-I444 HydrophobicContact CE1-CD1 3.94Å; F354-I444 HydrophobicContact CE1-CG1 4.02Å; L358-I444 HydrophobicContact CD1-CG1 3.94Å; V408-I444 HydrophobicContact CG1-CG2 4.3Å; V408-I444 HydrophobicContact CG2-CG1 4.5Å; F412-I444 HydrophobicContact CE2-CG2 3.87Å; F412-I444 WeakPolarHBondContact CE2-O 3.42Å; F412-I444 HydrophobicContact CZ-CG2 3.73Å; A438-I444 HydrophobicContact CB-CD1 4.28Å; N441-I444 HydrophobicContact CB-CB 4.15Å; N441-I444 HydrophobicContact CB-CD1 3.88Å; N441-I444 HydrophobicContact CB-CG1 4.04Å; N441-I444 PolarHBondContact O-N 3.08Å; N441-I444 PolarHBondContact OD1-N 3.43Å; I444-Q446 VanDerWaalsContact C-N 3.29Å; I444-Q446 PolarHBondContact O-N 3.24Å; I444-V447 PolarHBondContact O-N 2.62Å; I444-L448 PolarHBondContact O-N 3Å; I444-L448 VanDerWaalsContact O-N 3.09Å
445L98.5Very high96Very high0 Ų030.3 Ų30.30%019%0.191CC..Hα-helixtrans-65-31.1178.3-65.3-169.5000113.3L295 A434 S439 N441 R442 Q443 L448 S449 V456 T458 V498 C499L295-L445 HydrophobicContact CD1-CD2 4.36Å; A434-L445 HydrophobicContact CB-CD1 4.47Å; A434-L445 HydrophobicContact CB-CD2 3.44Å; A434-L445 VanDerWaalsContact CB-CD2 3.44Å; S439-L445 VanDerWaalsContact O-CD1 3.25Å; S439-L445 WeakPolarHBondContact O-CD1 3.4Å; N441-L445 WeakPolarHBondContact O-CG 3.21Å; N441-L445 PolarHBondContact O-N 3.46Å; N441-L445 VanDerWaalsContact O-N 3.12Å; R442-L445 CarbonylContact O-C 3.44Å; R442-L445 PolarHBondContact O-N 3.23Å; Q443-L445 VanDerWaalsContact C-N 3.34Å; L445-L448 HydrophobicContact CD2-CD2 4.16Å; L445-L448 WeakPolarHBondContact O-CB 3.24Å; L445-L448 PolarHBondContact O-N 2.9Å; L445-S449 WeakPolarHBondContact O-CB 3.34Å; L445-S449 PolarHBondContact O-N 2.8Å; L445-V456 HydrophobicContact CB-CG1 4.21Å; L445-V456 HydrophobicContact CD1-CG1 4.16Å; L445-V456 HydrophobicContact CD2-CG1 4.15Å; L445-V456 HydrophobicContact CG-CG1 4.41Å; L445-T458 HydrophobicContact CD1-CG2 3.61Å; L445-V498 HydrophobicContact CD1-CB 4.26Å; L445-V498 HydrophobicContact CD1-CG1 4.01Å; L445-V498 HydrophobicContact CD1-CG2 4.4Å; L445-C499 VanDerWaalsContact C-SG 3.57Å; L445-C499 PolarHBondContact O-SG 3.22Å; L445-C499 VanDerWaalsContact O-SG 3.35Å
446Q98.8Very high96.3Very high42 Ų4228.5 Ų28.520%0.19618%0.18CC..Hα-helixtrans-63.4-43.9173.8-172.660.759.800111.3R442 Q443 I444 L448 S449 D450 C499 R500 H502R442-Q446 PolarHBondContact O-N 2.85Å; Q443-Q446 PolarHBondContact O-N 3.48Å; I444-Q446 VanDerWaalsContact C-N 3.29Å; I444-Q446 PolarHBondContact O-N 3.24Å; Q446-L448 VanDerWaalsContact C-N 3.33Å; Q446-L448 PolarHBondContact O-N 3.44Å; Q446-S449 WeakPolarHBondContact O-CB 3.5Å; Q446-S449 PolarHBondContact O-N 3.09Å; Q446-D450 PolarHBondContact NE2-OD1 2.94Å; Q446-D450 WeakPolarHBondContact O-CB 3.29Å; Q446-D450 PolarHBondContact O-N 3.2Å; Q446-C499 VanDerWaalsContact OE1-CB 3.26Å; Q446-R500 PolarHBondContact NE2-O 3.06Å; Q446-H502 PolarHBondContact NE2-ND1 2.93Å
447V98.8Very high96.8Very high2 Ų228.9 Ų28.91%0.01217%0.172CC..Hα-helixtrans-63.5-40.5175.3-175.30000111.2L358 V408 E409 F412 Q443 I444 S449 D450 V451L358-V447 HydrophobicContact CD2-CG2 4.26Å; V408-V447 HydrophobicContact CG1-CB 3.8Å; V408-V447 HydrophobicContact CG1-CG1 3.92Å; V408-V447 HydrophobicContact CG1-CG2 4.02Å; E409-V447 HydrophobicContact CB-CG1 4.43Å; E409-V447 HydrophobicContact CG-CG1 3.62Å; F412-V447 HydrophobicContact CD2-CB 4.15Å; F412-V447 HydrophobicContact CD2-CG1 3.94Å; F412-V447 HydrophobicContact CE2-CB 4.34Å; Q443-V447 PolarHBondContact O-N 3.47Å; I444-V447 PolarHBondContact O-N 2.62Å; V447-S449 VanDerWaalsContact C-N 3.34Å; V447-S449 PolarHBondContact O-N 3.36Å; V447-D450 PolarHBondContact O-N 2.79Å; V447-V451 HydrophobicContact CG1-CG2 4.16Å; V447-V451 WeakPolarHBondContact O-CB 3.34Å; V447-V451 VanDerWaalsContact O-CG2 3.31Å; V447-V451 WeakPolarHBondContact O-CG2 3.4Å; V447-V451 PolarHBondContact O-N 3.45Å
448L98.7Very high97Very high0 Ų027.1 Ų27.10%015%0.148CC..Hα-helixtrans-57.8-48.1173.6175.163.7000111.3V293 F412 V432 A434 I444 L445 Q446 D450 V451 F452 V456V293-L448 HydrophobicContact CG2-CD1 3.96Å; V293-L448 HydrophobicContact CG2-CD2 4.03Å; F412-L448 HydrophobicContact CD1-CB 4.23Å; F412-L448 HydrophobicContact CD1-CD1 3.48Å; F412-L448 VanDerWaalsContact CD1-CD1 3.48Å; F412-L448 HydrophobicContact CD1-CG 4.4Å; F412-L448 HydrophobicContact CD2-CB 4Å; F412-L448 HydrophobicContact CE1-CB 4.02Å; F412-L448 HydrophobicContact CE1-CD1 3.68Å; F412-L448 HydrophobicContact CE1-CD2 4.43Å; F412-L448 HydrophobicContact CE1-CG 4.25Å; F412-L448 HydrophobicContact CE2-CB 3.74Å; F412-L448 HydrophobicContact CG-CB 4.24Å; F412-L448 HydrophobicContact CG-CD1 4.02Å; F412-L448 HydrophobicContact CZ-CB 3.77Å; F412-L448 HydrophobicContact CZ-CD1 4.32Å; F412-L448 HydrophobicContact CZ-CG 4.45Å; V432-L448 HydrophobicContact CG1-CD1 4.14Å; V432-L448 HydrophobicContact CG1-CD2 3.66Å; V432-L448 HydrophobicContact CG1-CG 3.9Å; A434-L448 HydrophobicContact CB-CD2 4.1Å; I444-L448 PolarHBondContact O-N 3Å; I444-L448 VanDerWaalsContact O-N 3.09Å; L445-L448 HydrophobicContact CD2-CD2 4.16Å; L445-L448 WeakPolarHBondContact O-CB 3.24Å; L445-L448 PolarHBondContact O-N 2.9Å; Q446-L448 VanDerWaalsContact C-N 3.33Å; Q446-L448 PolarHBondContact O-N 3.44Å; L448-D450 VanDerWaalsContact C-N 3.33Å; L448-D450 PolarHBondContact O-N 3.45Å; L448-V451 PolarHBondContact O-N 3.36Å; L448-F452 HydrophobicContact CD1-CD2 3.51Å; L448-F452 HydrophobicContact CD1-CE2 3.63Å; L448-F452 PolarHBondContact O-N 3.06Å; L448-F452 VanDerWaalsContact O-N 3.08Å; L448-V456 HydrophobicContact CB-CG2 4.34Å; L448-V456 HydrophobicContact CD2-CG1 4.27Å; L448-V456 HydrophobicContact CD2-CG2 4.03Å; L448-V456 HydrophobicContact CG-CG2 3.94Å
449S98.6Very high96.5Very high0 Ų027.8 Ų27.80%015%0.149CC..Hα-helixtrans-60.2-44.6178.9-168.70000111.5L445 Q446 V447 N453 A454 P501L445-S449 WeakPolarHBondContact O-CB 3.34Å; L445-S449 PolarHBondContact O-N 2.8Å; Q446-S449 WeakPolarHBondContact O-CB 3.5Å; Q446-S449 PolarHBondContact O-N 3.09Å; V447-S449 VanDerWaalsContact C-N 3.34Å; V447-S449 PolarHBondContact O-N 3.36Å; S449-N453 WeakPolarHBondContact O-CA 3.2Å; S449-N453 PolarHBondContact O-N 3.03Å; S449-A454 WeakPolarHBondContact CA-O 3.33Å; S449-A454 WeakPolarHBondContact CB-O 3.42Å; S449-A454 PolarHBondContact O-N 3.42Å; S449-A454 VanDerWaalsContact O-N 3.12Å; S449-A454 PolarHBondContact OG-O 3.49Å; S449-P501 WeakPolarHBondContact OG-CD 3.29Å
450D98.7Very high95.6Very high2 Ų233.9 Ų33.91%0.01118%0.18CC..Hα-helixtrans-66.9-45.7-179.4-64.1-27.3000112.1Q446 V447 L448 F452 N453 P501 H502 A505 Y509Q446-D450 PolarHBondContact NE2-OD1 2.94Å; Q446-D450 WeakPolarHBondContact O-CB 3.29Å; Q446-D450 PolarHBondContact O-N 3.2Å; V447-D450 PolarHBondContact O-N 2.79Å; L448-D450 VanDerWaalsContact C-N 3.33Å; L448-D450 PolarHBondContact O-N 3.45Å; D450-F452 PolarHBondContact O-N 3.04Å; D450-N453 PolarHBondContact O-N 3.38Å; D450-P501 WeakPolarHBondContact OD1-CA 3.41Å; D450-H502 IonicContact OD1-CE1 3.88Å; D450-H502 IonicContact OD1-CG 3.26Å; D450-H502 PolarHBondContact OD1-N 3.47Å; D450-H502 IonicContact OD1-ND1 2.99Å; D450-H502 PolarHBondContact OD1-ND1 2.69Å; D450-H502 IonicContact OD2-CE1 2.68Å; D450-H502 IonicContact OD2-CG 2.64Å; D450-H502 IonicContact OD2-ND1 3.61Å; D450-H502 PolarHBondContact OD2-ND1 3.43Å; D450-A505 HydrophobicContact CB-CB 3.85Å; D450-A505 WeakPolarHBondContact O-CB 3.41Å; D450-Y509 HydrophobicContact CB-CD2 4.14Å; D450-Y509 HydrophobicContact CB-CE2 3.52Å; D450-Y509 WeakPolarHBondContact O-CD2 3.37Å
451V98.6Very high94.4Very high0 Ų030.4 Ų30.40%015%0.148CC..Hα-helixtrans-64.3-42-179.6169.20000111.6F412 L413 R416 V447 L448 N453 Y509F412-V451 HydrophobicContact CB-CB 4.01Å; F412-V451 HydrophobicContact CB-CG1 3.96Å; F412-V451 HydrophobicContact CB-CG2 4.03Å; L413-V451 HydrophobicContact CD2-CG1 4.15Å; L413-V451 HydrophobicContact CG-CG1 4.4Å; R416-V451 HydrophobicContact CB-CG1 4.12Å; R416-V451 WeakPolarHBondContact CD-O 3.37Å; R416-V451 PolarHBondContact NH1-O 2.84Å; V447-V451 HydrophobicContact CG1-CG2 4.16Å; V447-V451 WeakPolarHBondContact O-CB 3.34Å; V447-V451 VanDerWaalsContact O-CG2 3.31Å; V447-V451 WeakPolarHBondContact O-CG2 3.4Å; V447-V451 PolarHBondContact O-N 3.45Å; L448-V451 PolarHBondContact O-N 3.36Å; V451-N453 VanDerWaalsContact C-N 3.3Å; V451-Y509 HydrophobicContact CG2-CD1 3.74Å; V451-Y509 HydrophobicContact CG2-CD2 4.49Å; V451-Y509 HydrophobicContact CG2-CE1 3.71Å; V451-Y509 HydrophobicContact CG2-CE2 4.49Å; V451-Y509 HydrophobicContact CG2-CG 4.14Å
452F97.9Very high92.8Very high0 Ų034 Ų340%018%0.175CC..THydrogen-bonded Turntrans-85.7-0.6178.1-79.8-90.4000113.7I291 R415 R416 I426 V432 L448 D450 A454I291-F452 HydrophobicContact CD1-CD1 3.28Å; I291-F452 HydrophobicContact CD1-CE1 3.17Å; I291-F452 HydrophobicContact CD1-CG 4.32Å; I291-F452 HydrophobicContact CD1-CZ 4.15Å; R415-F452 HydrophobicContact CB-CE2 4.34Å; R415-F452 HydrophobicContact CB-CZ 4.05Å; R416-F452 HydrophobicContact CB-CD1 4.39Å; R416-F452 HydrophobicContact CB-CE1 3.86Å; R416-F452 HydrophobicContact CB-CE2 4.14Å; R416-F452 HydrophobicContact CB-CZ 3.74Å; R416-F452 HydrophobicContact CG-CD1 4.44Å; R416-F452 HydrophobicContact CG-CE1 4.22Å; I426-F452 HydrophobicContact CD1-CD1 4.4Å; I426-F452 WeakPolarHBondContact CD1-O 3.24Å; I426-F452 WeakPolarHBondContact CG2-O 3.47Å; V432-F452 HydrophobicContact CG2-CB 3.98Å; V432-F452 HydrophobicContact CG2-CG 4.34Å; L448-F452 HydrophobicContact CD1-CD2 3.51Å; L448-F452 HydrophobicContact CD1-CE2 3.63Å; L448-F452 PolarHBondContact O-N 3.06Å; L448-F452 VanDerWaalsContact O-N 3.08Å; D450-F452 PolarHBondContact O-N 3.04Å; F452-A454 HydrophobicContact CB-CB 4.48Å; F452-A454 PolarHBondContact O-N 3.05Å; F452-A454 VanDerWaalsContact O-N 3.11Å
453N97.3Very high91.9Very high66 Ų6627.9 Ų27.935%0.35315%0.153SC..THydrogen-bonded Turntrans4542.8-175.5-173.440.3000112.9S449 D450 V451 P506S449-N453 WeakPolarHBondContact O-CA 3.2Å; S449-N453 PolarHBondContact O-N 3.03Å; D450-N453 PolarHBondContact O-N 3.38Å; V451-N453 VanDerWaalsContact C-N 3.3Å; N453-P506 HydrophobicContact CB-CG 4.26Å; N453-P506 VanDerWaalsContact CG-CG 3.47Å; N453-P506 WeakPolarHBondContact OD1-CG 3.41Å
454A97.6Very high91.2Very high2 Ų227 Ų272%0.01715%0.152CC..SBendtrans-145.1147.3-173.900000111.5T430 V432 S449 F452 V456T430-A454 HydrophobicContact CG2-CB 3.66Å; V432-A454 HydrophobicContact CG2-CB 3.9Å; S449-A454 WeakPolarHBondContact CA-O 3.33Å; S449-A454 WeakPolarHBondContact CB-O 3.42Å; S449-A454 PolarHBondContact O-N 3.42Å; S449-A454 VanDerWaalsContact O-N 3.12Å; S449-A454 PolarHBondContact OG-O 3.49Å; F452-A454 HydrophobicContact CB-CB 4.48Å; F452-A454 PolarHBondContact O-N 3.05Å; F452-A454 VanDerWaalsContact O-N 3.11Å; A454-V456 PolarHBondContact O-N 3.13Å
455P97.6Very high90.6Very high26 Ų2627.3 Ų27.317%0.16916%0.156CC..  trans-60.2135174.625.5-34.1000111.1T430 V432 Y457 Q497 R500T430-P455 WeakPolarHBondContact O-CD 3.49Å; V432-P455 PolarHBondContact N-O 2.77Å; P455-Y457 HydrophobicContact CB-CE2 3.74Å; P455-Y457 HydrophobicContact CG-CE2 3.84Å; P455-Q497 HydrophobicContact CB-CG 4.37Å; P455-R500 HydrophobicContact CB-CG 4.3Å
456V98.1Very high90Very high0 Ų027.4 Ų27.40%016%0.156CC..EExtended strand (participates in β ladder)trans-100.2134.2176.21740000109.9V432 A434 L445 L448 A454 V498 C499V432-V456 HydrophobicContact CB-CG2 3.94Å; V432-V456 HydrophobicContact CG1-CG2 4.11Å; V432-V456 CarbonylContact O-C 3.46Å; V432-V456 VanDerWaalsContact O-CA 3.25Å; V432-V456 WeakPolarHBondContact O-CA 3.44Å; A434-V456 HydrophobicContact CB-CG1 4Å; L445-V456 HydrophobicContact CB-CG1 4.21Å; L445-V456 HydrophobicContact CD1-CG1 4.16Å; L445-V456 HydrophobicContact CD2-CG1 4.15Å; L445-V456 HydrophobicContact CG-CG1 4.41Å; L448-V456 HydrophobicContact CB-CG2 4.34Å; L448-V456 HydrophobicContact CD2-CG1 4.27Å; L448-V456 HydrophobicContact CD2-CG2 4.03Å; L448-V456 HydrophobicContact CG-CG2 3.94Å; A454-V456 PolarHBondContact O-N 3.13Å; V456-V498 PolarHBondContact O-N 2.98Å; V456-C499 PolarHBondContact N-O 3.19Å; V456-C499 VanDerWaalsContact N-O 3.1Å; V456-C499 PolarHBondContact O-N 3.3Å
457Y96Very high89.5Confident39 Ų3926.5 Ų26.515%0.15315%0.153CC..EExtended strand (participates in β ladder)trans-119.3150.6176-56.4-107.1000110R431 V432 L433 A434 P455 P495 Q496 Q497R431-Y457 HydrophobicContact CB-CD2 3.97Å; R431-Y457 HydrophobicContact CB-CE2 3.76Å; R431-Y457 HydrophobicContact CG-CD2 4.44Å; R431-Y457 HydrophobicContact CG-CE2 3.79Å; V432-Y457 PolarHBondContact O-N 3.39Å; L433-Y457 CarbonylContact C-O 3.59Å; L433-Y457 WeakPolarHBondContact CA-O 3.36Å; A434-Y457 PolarHBondContact N-O 3.41Å; P455-Y457 HydrophobicContact CB-CE2 3.74Å; P455-Y457 HydrophobicContact CG-CE2 3.84Å; Y457-P495 HydrophobicContact CD1-CB 4.45Å; Y457-P495 HydrophobicContact CD1-CG 4.26Å; Y457-P495 HydrophobicContact CG-CB 4.5Å; Y457-P495 HydrophobicContact CG-CG 4.47Å; Y457-Q496 CarbonylContact C-O 3.43Å; Y457-Q496 WeakPolarHBondContact CA-O 3.46Å; Y457-Q497 VanDerWaalsContact CD1-CA 3.47Å; Y457-Q497 HydrophobicContact CD1-CB 3.68Å; Y457-Q497 HydrophobicContact CD1-CG 4.17Å; Y457-Q497 HydrophobicContact CE1-CB 3.5Å; Y457-Q497 HydrophobicContact CE1-CG 3.8Å; Y457-Q497 HydrophobicContact CE2-CG 4.43Å; Y457-Q497 HydrophobicContact CG-CB 4.45Å
458T92.8Very high89.2Confident31 Ų3126.4 Ų26.419%0.1915%0.152CC..EExtended strand (participates in β ladder)trans-116150167.854.50000109.5A434 L445 P495 Q496 V498A434-T458 HydrophobicContact CB-CG2 4.44Å; L445-T458 HydrophobicContact CD1-CG2 3.61Å; T458-P495 CarbonylContact O-C 3.57Å; T458-Q496 PolarHBondContact N-O 3.3Å; T458-Q496 PolarHBondContact O-N 3.34Å; T458-V498 HydrophobicContact CG2-CG2 3.66Å; T458-V498 VanDerWaalsContact OG1-CG2 3.23Å; T458-V498 WeakPolarHBondContact OG1-CG2 3.45Å
459I81.9Confident89Confident26 Ų2626.4 Ų26.413%0.13315%0.152CC..  trans-137.3130.2175.2-161.9172.9000108.6L461 P495I459-L461 HydrophobicContact CB-CG 4.25Å; I459-L461 HydrophobicContact CD1-CD1 3.78Å; I459-L461 HydrophobicContact CD1-CD2 4.02Å; I459-L461 HydrophobicContact CD1-CG 3.79Å; I459-L461 HydrophobicContact CG1-CD1 4.19Å; I459-L461 HydrophobicContact CG1-CD2 4.19Å; I459-L461 HydrophobicContact CG1-CG 3.75Å; I459-L461 HydrophobicContact CG2-CB 4.38Å; I459-L461 HydrophobicContact CG2-CD1 3.66Å; I459-L461 HydrophobicContact CG2-CG 3.72Å; I459-L461 PolarHBondContact O-N 3.46Å; I459-P495 HydrophobicContact CB-CB 4.01Å; I459-P495 HydrophobicContact CD1-CB 4.24Å; I459-P495 HydrophobicContact CG1-CB 4.33Å
460D73.7Confident88.7Confident155 Ų15526.4 Ų26.483%0.82915%0.152SC*.  trans-8077.8175.3-169.26.1000109.2
461L67.8Low88.4Confident22 Ų2226.7 Ų26.712%0.11515%0.153CC..  trans-109.781.3172.3-62.2177.4000108.7G283 M284 I459 D463 L467G283-L461 WeakPolarHBondContact O-CD1 3.45Å; M284-L461 HydrophobicContact CG-CD1 3.99Å; I459-L461 HydrophobicContact CB-CG 4.25Å; I459-L461 HydrophobicContact CD1-CD1 3.78Å; I459-L461 HydrophobicContact CD1-CD2 4.02Å; I459-L461 HydrophobicContact CD1-CG 3.79Å; I459-L461 HydrophobicContact CG1-CD1 4.19Å; I459-L461 HydrophobicContact CG1-CD2 4.19Å; I459-L461 HydrophobicContact CG1-CG 3.75Å; I459-L461 HydrophobicContact CG2-CB 4.38Å; I459-L461 HydrophobicContact CG2-CD1 3.66Å; I459-L461 HydrophobicContact CG2-CG 3.72Å; I459-L461 PolarHBondContact O-N 3.46Å; L461-D463 PolarHBondContact O-N 3Å; L461-L467 HydrophobicContact CD2-CD1 3.51Å
462S63.5Low88.3Confident96 Ų9626.9 Ų26.967%0.67115%0.154SC*.THydrogen-bonded Turntrans-56.8-19.8171.164.60000112.9
463D77.1Confident88.2Confident26 Ų2626.9 Ų26.914%0.13915%0.154CC..THydrogen-bonded Turntrans-14357.4-174.2-63.5-83.4000112.9K17 L461 C466 L467K17-D463 VanDerWaalsContact CD-OD1 3.3Å; K17-D463 WeakPolarHBondContact CD-OD1 3.33Å; K17-D463 WeakPolarHBondContact CE-OD1 3.01Å; K17-D463 IonicContact NZ-OD1 2.81Å; K17-D463 PolarHBondContact NZ-OD1 2.81Å; K17-D463 IonicContact NZ-OD2 3.58Å; K17-D463 PolarHBondContact NZ-OD2 3.01Å; L461-D463 PolarHBondContact O-N 3Å; D463-C466 HydrophobicContact CB-CB 3.63Å; D463-C466 CarbonylContact O-C 3.52Å; D463-C466 WeakPolarHBondContact O-CA 3.29Å; D463-C466 WeakPolarHBondContact O-CB 3.28Å; D463-C466 PolarHBondContact O-N 2.97Å; D463-L467 PolarHBondContact O-N 3.11Å
464S84.6Confident88Confident28 Ų2824.7 Ų24.720%0.19614%0.142CC..Hα-helixtrans-57.4-53-177.3570000114.3S280 C466 L467 G468S280-S464 PolarHBondContact OG-OG 3.05Å; S464-C466 CarbonylContact O-C 3.45Å; S464-C466 PolarHBondContact O-N 3.33Å; S464-L467 PolarHBondContact O-N 3.41Å; S464-G468 PolarHBondContact O-N 2.81Å
465A86.6Confident87.9Confident10 Ų1025 Ų258%0.08314%0.143CC..Hα-helixtrans-52.1-42.6176.700000111.8D276 A279 S280 S469D276-A465 HydrophobicContact CB-CB 4.26Å; D276-A465 WeakPolarHBondContact O-CB 3.46Å; A279-A465 HydrophobicContact CB-CB 4.3Å; A279-A465 VanDerWaalsContact CB-O 3.31Å; A279-A465 WeakPolarHBondContact CB-O 3.25Å; S280-A465 WeakPolarHBondContact OG-CA 3.39Å; S280-A465 WeakPolarHBondContact OG-CB 3.22Å; S280-A465 PolarHBondContact OG-N 3.36Å; A465-S469 PolarHBondContact O-N 2.99Å; A465-S469 VanDerWaalsContact O-N 3.14Å; A465-S469 PolarHBondContact O-OG 3.3Å
466C86.2Confident87.8Confident2 Ų223.9 Ų23.91%0.01414%0.137CC..Hα-helixtrans-58.5-67.2174.1-114.80000108.3K5 C7 D463 S464 G468 S469 A470K5-C466 HydrophobicContact CD-CB 4.41Å; K5-C466 WeakPolarHBondContact CD-O 3.31Å; K5-C466 WeakPolarHBondContact CE-O 3.36Å; K5-C466 WeakPolarHBondContact CE-SG 3.15Å; K5-C466 VanDerWaalsContact NZ-CA 3.29Å; K5-C466 PolarHBondContact NZ-O 2.98Å; C7-C466 HydrophobicContact CB-CB 4.37Å; C7-C466 WeakPolarHBondContact CB-SG 3.37Å; D463-C466 HydrophobicContact CB-CB 3.63Å; D463-C466 CarbonylContact O-C 3.52Å; D463-C466 WeakPolarHBondContact O-CA 3.29Å; D463-C466 WeakPolarHBondContact O-CB 3.28Å; D463-C466 PolarHBondContact O-N 2.97Å; S464-C466 CarbonylContact O-C 3.45Å; S464-C466 PolarHBondContact O-N 3.33Å; C466-G468 VanDerWaalsContact C-N 3.29Å; C466-G468 PolarHBondContact O-N 3.47Å; C466-S469 WeakPolarHBondContact O-CB 3.37Å; C466-S469 PolarHBondContact O-N 3.48Å; C466-A470 PolarHBondContact O-N 3.18Å
467L87.8Confident87.6Confident24 Ų2427.2 Ų27.213%0.12615%0.154CC..Hα-helixtrans-55.6-42.4-173.8-82.8160.5000112.6I21 L461 D463 S464 S469 A470 Y471I21-L467 HydrophobicContact CG2-CD2 4.05Å; L461-L467 HydrophobicContact CD2-CD1 3.51Å; D463-L467 PolarHBondContact O-N 3.11Å; S464-L467 PolarHBondContact O-N 3.41Å; L467-S469 VanDerWaalsContact C-N 3.29Å; L467-S469 PolarHBondContact O-N 2.87Å; L467-A470 PolarHBondContact O-N 3.39Å; L467-Y471 HydrophobicContact CB-CE2 4.3Å; L467-Y471 PolarHBondContact O-N 3.01Å
468G91.8Very high87.6Confident0 Ų027.5 Ų27.50%016%0.16CC..Hα-helixtrans-61.8-33.1176.900000114.2A279 S464 C466 Y471 R472A279-G468 WeakPolarHBondContact O-CA 3.36Å; S464-G468 PolarHBondContact O-N 2.81Å; C466-G468 VanDerWaalsContact C-N 3.29Å; C466-G468 PolarHBondContact O-N 3.47Å; G468-Y471 PolarHBondContact O-N 3.28Å; G468-R472 WeakPolarHBondContact O-CB 3.38Å; G468-R472 VanDerWaalsContact O-CG 3.24Å; G468-R472 WeakPolarHBondContact O-CG 3.38Å; G468-R472 PolarHBondContact O-N 3.5Å
469S94.3Very high87.6Confident0 Ų026.9 Ų26.90%016%0.158CC..Hα-helixtrans-63.5-40.7172.3-61.60000112.1S89 G90 S91 A465 C466 L467 R472 A473S89-S469 WeakPolarHBondContact CB-O 3.1Å; G90-S469 VanDerWaalsContact C-OG 3.32Å; S91-S469 PolarHBondContact N-OG 2.94Å; A465-S469 PolarHBondContact O-N 2.99Å; A465-S469 VanDerWaalsContact O-N 3.14Å; A465-S469 PolarHBondContact O-OG 3.3Å; C466-S469 WeakPolarHBondContact O-CB 3.37Å; C466-S469 PolarHBondContact O-N 3.48Å; L467-S469 VanDerWaalsContact C-N 3.29Å; L467-S469 PolarHBondContact O-N 2.87Å; S469-R472 PolarHBondContact O-N 2.96Å; S469-A473 PolarHBondContact O-N 3.07Å
470A92.3Very high88Confident0 Ų033.2 Ų33.20%019%0.192CC..Hα-helixtrans-70-38.5177.900000111.9K5 I21 C466 L467 A473 L474K5-A470 HydrophobicContact CB-CB 4.38Å; K5-A470 HydrophobicContact CD-CB 3.81Å; I21-A470 HydrophobicContact CD1-CB 3.53Å; I21-A470 HydrophobicContact CG1-CB 3.81Å; I21-A470 HydrophobicContact CG2-CB 4.01Å; C466-A470 PolarHBondContact O-N 3.18Å; L467-A470 PolarHBondContact O-N 3.39Å; A470-A473 WeakPolarHBondContact O-CB 3.47Å; A470-A473 PolarHBondContact O-N 2.9Å; A470-L474 PolarHBondContact O-N 3.25Å
471Y93.9Very high88.9Confident7 Ų730.6 Ų30.63%0.02719%0.186CC..Hα-helixtrans-63-42.4173.1-63.6-19.5000112.3I21 L25 L467 G468 A473 L474 H475 L489I21-Y471 HydrophobicContact CD1-CD1 3.64Å; I21-Y471 HydrophobicContact CD1-CE1 3.82Å; L25-Y471 HydrophobicContact CB-CE1 3.97Å; L25-Y471 HydrophobicContact CD2-CD1 4.29Å; L25-Y471 HydrophobicContact CD2-CE1 4.24Å; L467-Y471 HydrophobicContact CB-CE2 4.3Å; L467-Y471 PolarHBondContact O-N 3.01Å; G468-Y471 PolarHBondContact O-N 3.28Å; Y471-A473 VanDerWaalsContact C-N 3.32Å; Y471-A473 PolarHBondContact O-N 3.37Å; Y471-L474 WeakPolarHBondContact O-CB 3.31Å; Y471-L474 PolarHBondContact O-N 3.07Å; Y471-H475 PolarHBondContact O-N 2.83Å; Y471-L489 HydrophobicContact CD1-CD2 3.69Å; Y471-L489 HydrophobicContact CD2-CD1 3.57Å; Y471-L489 HydrophobicContact CD2-CD2 4.13Å; Y471-L489 HydrophobicContact CE1-CD2 4.25Å; Y471-L489 HydrophobicContact CE2-CD1 4.28Å; Y471-L489 HydrophobicContact CG-CD1 3.78Å; Y471-L489 HydrophobicContact CG-CD2 3.63Å; Y471-L489 HydrophobicContact CG-CG 4.37Å
472R96Very high90Very high5 Ų532.9 Ų32.92%0.01922%0.215CC..Hα-helixtrans-64-35.5174-74.8175.860.6-98.4-6.2112.7S89 S247 A272 T274 A282 V321 G468 S469 L474 H475 G476 F485S89-R472 PolarHBondContact OG-NH1 3.08Å; S247-R472 PolarHBondContact O-NH2 3.33Å; A272-R472 PolarHBondContact O-NH1 3.42Å; A272-R472 PolarHBondContact O-NH2 3.42Å; T274-R472 VanDerWaalsContact CG2-CZ 3.47Å; A282-R472 HydrophobicContact CB-CG 3.96Å; V321-R472 HydrophobicContact CG1-CG 3.99Å; G468-R472 WeakPolarHBondContact O-CB 3.38Å; G468-R472 VanDerWaalsContact O-CG 3.24Å; G468-R472 WeakPolarHBondContact O-CG 3.38Å; G468-R472 PolarHBondContact O-N 3.5Å; S469-R472 PolarHBondContact O-N 2.96Å; R472-L474 VanDerWaalsContact C-N 3.31Å; R472-L474 PolarHBondContact O-N 3.49Å; R472-H475 PolarHBondContact O-N 3.34Å; R472-G476 PolarHBondContact O-N 3.33Å; R472-F485 HydrophobicContact CG-CE2 4.02Å
473A95.6Very high91.4Very high0 Ų031 Ų310%020%0.199CC..Hα-helixtrans-61.3-40.6174.100000111.9C3 A87 S469 A470 Y471C3-A473 HydrophobicContact CB-CB 4.5Å; A87-A473 HydrophobicContact CB-CB 4.13Å; A87-A473 VanDerWaalsContact CB-O 3.29Å; A87-A473 WeakPolarHBondContact CB-O 3.45Å; S469-A473 PolarHBondContact O-N 3.07Å; A470-A473 WeakPolarHBondContact O-CB 3.47Å; A470-A473 PolarHBondContact O-N 2.9Å; Y471-A473 VanDerWaalsContact C-N 3.32Å; Y471-A473 PolarHBondContact O-N 3.37Å
474L93.8Very high92.2Very high19 Ų1931.6 Ų31.610%0.09921%0.205CC..Hα-helixtrans-67.7-45.8173.3-70.8170.2000111.4C3 I21 L25 A470 Y471 R472 G476 L477 L488C3-L474 HydrophobicContact CB-CD2 4.36Å; C3-L474 HydrophobicContact CB-CG 4.22Å; C3-L474 WeakPolarHBondContact SG-CD2 3.18Å; C3-L474 VanDerWaalsContact SG-CG 3.51Å; I21-L474 HydrophobicContact CD1-CD1 3.68Å; L25-L474 HydrophobicContact CD2-CD1 3.45Å; L25-L474 VanDerWaalsContact CD2-CD1 3.45Å; A470-L474 PolarHBondContact O-N 3.25Å; Y471-L474 WeakPolarHBondContact O-CB 3.31Å; Y471-L474 PolarHBondContact O-N 3.07Å; R472-L474 VanDerWaalsContact C-N 3.31Å; R472-L474 PolarHBondContact O-N 3.49Å; L474-G476 PolarHBondContact O-N 3.31Å; L474-L477 WeakPolarHBondContact O-CB 3.45Å; L474-L477 PolarHBondContact O-N 2.66Å; L474-L488 HydrophobicContact CB-CD2 3.92Å
475H95.3Very high92.6Very high8 Ų830.4 Ų30.44%0.03720%0.197CC..Hα-helixtrans-63.3-42.2-177.5-177.8-132.7000112.8Y471 R472 L477 V478 A479 V483 F485 L488Y471-H475 PolarHBondContact O-N 2.83Å; R472-H475 PolarHBondContact O-N 3.34Å; H475-L477 PolarHBondContact O-N 3.12Å; H475-V478 CarbonylContact O-C 3.57Å; H475-V478 WeakPolarHBondContact O-CG2 3.2Å; H475-V478 PolarHBondContact O-N 3.06Å; H475-A479 WeakPolarHBondContact O-CB 3.44Å; H475-A479 PolarHBondContact O-N 3.17Å; H475-V483 PolarHBondContact NE2-O 2.7Å; H475-F485 HydrophobicContact CB-CD2 3.79Å; H475-F485 HydrophobicContact CB-CE2 4.35Å; H475-F485 AromaticContact CG-CD2 3.8Å; H475-F485 AromaticContact ND1-CD2 3.73Å; H475-F485 PolarHBondContact NE2-N 3.02Å; H475-L488 HydrophobicContact CB-CD2 3.68Å
476G95.1Very high92.8Very high4 Ų431.9 Ų31.94%0.04120%0.203CC..Hα-helixtrans-57.3-26.1177.300000113.9T248 V250 R472 L474 V478T248-G476 WeakPolarHBondContact O-CA 3.28Å; V250-G476 WeakPolarHBondContact CG2-O 3.38Å; R472-G476 PolarHBondContact O-N 3.33Å; L474-G476 PolarHBondContact O-N 3.31Å; G476-V478 VanDerWaalsContact C-N 3.27Å; G476-V478 PolarHBondContact O-N 3.32Å
477L94.3Very high93.1Very high69 Ų6937 Ų3736%0.36123%0.23SC..THydrogen-bonded Turntrans-71.1-20.7175.6-64.7-178.4000114.1A87 L474 H475A87-L477 HydrophobicContact CB-CD1 3.77Å; A87-L477 HydrophobicContact CB-CD2 3.99Å; A87-L477 HydrophobicContact CB-CG 3.86Å; L474-L477 WeakPolarHBondContact O-CB 3.45Å; L474-L477 PolarHBondContact O-N 2.66Å; H475-L477 PolarHBondContact O-N 3.12Å
478V94.9Very high93.2Very high46 Ų4638.3 Ų38.328%0.27924%0.237SC..THydrogen-bonded Turntrans-127-4-173.2-61.80000113.4H475 G476 D480 S481 V483 L488H475-V478 CarbonylContact O-C 3.57Å; H475-V478 WeakPolarHBondContact O-CG2 3.2Å; H475-V478 PolarHBondContact O-N 3.06Å; G476-V478 VanDerWaalsContact C-N 3.27Å; G476-V478 PolarHBondContact O-N 3.32Å; V478-D480 VanDerWaalsContact C-N 3.34Å; V478-D480 PolarHBondContact O-N 3.25Å; V478-S481 WeakPolarHBondContact O-CA 3.31Å; V478-S481 VanDerWaalsContact O-CB 3.3Å; V478-S481 WeakPolarHBondContact O-CB 3.22Å; V478-S481 PolarHBondContact O-N 2.71Å; V478-V483 HydrophobicContact CB-CB 4.37Å; V478-V483 HydrophobicContact CB-CG2 4.39Å; V478-V483 HydrophobicContact CG2-CB 4.07Å; V478-V483 HydrophobicContact CG2-CG1 4.25Å; V478-L488 HydrophobicContact CG2-CD1 4.34Å; V478-L488 HydrophobicContact CG2-CD2 4.31Å
479A92.6Very high93.1Very high18 Ų1838.7 Ų38.715%0.14924%0.239CC..G310 helixtrans-57.9-43.5-175.600000112.3T248 H475 S481 G482T248-A479 HydrophobicContact CG2-CB 4.13Å; H475-A479 WeakPolarHBondContact O-CB 3.44Å; H475-A479 PolarHBondContact O-N 3.17Å; A479-S481 PolarHBondContact O-N 2.67Å; A479-S481 VanDerWaalsContact O-N 3.14Å; A479-G482 PolarHBondContact O-N 3.08Å
480D91.8Very high92.7Very high158 Ų15848 Ų4885%0.84527%0.274SS*.G310 helixtrans-67.2-14.3178.4-66.3-14.8000113.2V478 G482V478-D480 VanDerWaalsContact C-N 3.34Å; V478-D480 PolarHBondContact O-N 3.25Å; D480-G482 VanDerWaalsContact C-N 3.28Å
481S92.6Very high92.3Very high100 Ų10053.8 Ų53.870%0.69931%0.305SS*.G310 helixtrans-85.82173.5-53.90000113.1V478 A479V478-S481 WeakPolarHBondContact O-CA 3.31Å; V478-S481 VanDerWaalsContact O-CB 3.3Å; V478-S481 WeakPolarHBondContact O-CB 3.22Å; V478-S481 PolarHBondContact O-N 2.71Å; A479-S481 PolarHBondContact O-N 2.67Å; A479-S481 VanDerWaalsContact O-N 3.14Å
482G90Very high91.8Very high70 Ų7054.1 Ų54.172%0.72231%0.309SS*.THydrogen-bonded Turntrans81.910.6178.500000115A479 D480 S484A479-G482 PolarHBondContact O-N 3.08Å; D480-G482 VanDerWaalsContact C-N 3.28Å; G482-S484 PolarHBondContact O-N 3Å
483V93.3Very high90.9Very high56 Ų5658.2 Ų58.234%0.33934%0.337SS..  trans-74.7124.2175.6179.80000109.4H475 V478 L488H475-V483 PolarHBondContact NE2-O 2.7Å; V478-V483 HydrophobicContact CB-CB 4.37Å; V478-V483 HydrophobicContact CB-CG2 4.39Å; V478-V483 HydrophobicContact CG2-CB 4.07Å; V478-V483 HydrophobicContact CG2-CG1 4.25Å; V483-L488 HydrophobicContact CG1-CB 4.34Å
484S93.3Very high90.2Very high40 Ų4066.1 Ų66.128%0.2837%0.373SS..  trans-70.2153.9176.681.80000111.5G482 L486 D487 L488G482-S484 PolarHBondContact O-N 3Å; S484-L486 VanDerWaalsContact C-N 3.27Å; S484-L486 PolarHBondContact O-N 3.28Å; S484-D487 WeakPolarHBondContact CB-OD2 3.06Å; S484-D487 PolarHBondContact O-N 2.8Å; S484-D487 VanDerWaalsContact OG-CB 3.32Å; S484-D487 WeakPolarHBondContact OG-CB 3.49Å; S484-D487 PolarHBondContact OG-N 2.94Å; S484-D487 VanDerWaalsContact OG-N 3.08Å; S484-D487 PolarHBondContact OG-OD2 3.14Å; S484-L488 PolarHBondContact O-N 3.48Å
485F94Very high90Very high2 Ų266.5 Ų66.51%0.00938%0.377CS..Hα-helixtrans-59.6-41.1178.2-179.7-102.3000111.6A282 V321 R472 H475 L488 L489A282-F485 HydrophobicContact CB-CE1 4.34Å; A282-F485 HydrophobicContact CB-CE2 4.47Å; A282-F485 HydrophobicContact CB-CZ 3.81Å; A282-F485 WeakPolarHBondContact O-CE1 3.41Å; A282-F485 WeakPolarHBondContact O-CZ 3.32Å; V321-F485 HydrophobicContact CB-CB 3.89Å; V321-F485 HydrophobicContact CB-CD1 3.87Å; V321-F485 HydrophobicContact CB-CD2 3.99Å; V321-F485 HydrophobicContact CB-CE1 4.37Å; V321-F485 HydrophobicContact CB-CE2 4.49Å; V321-F485 HydrophobicContact CB-CG 3.65Å; V321-F485 HydrophobicContact CG1-CB 4.44Å; V321-F485 HydrophobicContact CG1-CD1 3.88Å; V321-F485 HydrophobicContact CG1-CD2 3.58Å; V321-F485 HydrophobicContact CG1-CE1 3.91Å; V321-F485 HydrophobicContact CG1-CE2 3.63Å; V321-F485 HydrophobicContact CG1-CG 3.71Å; V321-F485 HydrophobicContact CG1-CZ 3.79Å; V321-F485 HydrophobicContact CG2-CD1 4.08Å; V321-F485 HydrophobicContact CG2-CE1 4.5Å; V321-F485 HydrophobicContact CG2-CG 4.35Å; R472-F485 HydrophobicContact CG-CE2 4.02Å; H475-F485 HydrophobicContact CB-CD2 3.79Å; H475-F485 HydrophobicContact CB-CE2 4.35Å; H475-F485 AromaticContact CG-CD2 3.8Å; H475-F485 AromaticContact ND1-CD2 3.73Å; H475-F485 PolarHBondContact NE2-N 3.02Å; F485-L488 PolarHBondContact O-N 2.99Å; F485-L489 HydrophobicContact CD1-CD1 3.95Å; F485-L489 HydrophobicContact CD2-CD1 4.49Å; F485-L489 HydrophobicContact CE1-CD1 3.33Å; F485-L489 HydrophobicContact CE1-CG 4.49Å; F485-L489 HydrophobicContact CE2-CD1 3.95Å; F485-L489 HydrophobicContact CG-CD1 4.49Å; F485-L489 HydrophobicContact CZ-CD1 3.34Å; F485-L489 HydrophobicContact CZ-CG 4.45Å; F485-L489 WeakPolarHBondContact O-CG 3.32Å; F485-L489 PolarHBondContact O-N 3Å
486L90.8Very high89.8Confident41 Ų4173 Ų7322%0.21541%0.408CS..Hα-helixtrans-71.7-38.3-178.2-61.3173.4000112.5C285 H287 S484 L488 L489 R490C285-L486 HydrophobicContact CB-CD2 4.32Å; H287-L486 HydrophobicContact CB-CD1 4.28Å; H287-L486 WeakPolarHBondContact CD2-CD1 3.27Å; H287-L486 WeakPolarHBondContact CD2-CD2 3.41Å; S484-L486 VanDerWaalsContact C-N 3.27Å; S484-L486 PolarHBondContact O-N 3.28Å; L486-L488 VanDerWaalsContact C-N 3.27Å; L486-L488 PolarHBondContact O-N 3.07Å; L486-L489 CarbonylContact O-C 3.51Å; L486-L489 PolarHBondContact O-N 2.99Å; L486-L489 VanDerWaalsContact O-N 3.08Å; L486-R490 PolarHBondContact O-N 2.82Å; L486-R490 VanDerWaalsContact O-N 3.11Å
487D91.1Very high89.9Confident109 Ų10976.8 Ų76.858%0.58342%0.424SS*.Hα-helixtrans-62.7-37.2176.5-70.1-40.5000111.9S484 L489 R490S484-D487 WeakPolarHBondContact CB-OD2 3.06Å; S484-D487 PolarHBondContact O-N 2.8Å; S484-D487 VanDerWaalsContact OG-CB 3.32Å; S484-D487 WeakPolarHBondContact OG-CB 3.49Å; S484-D487 PolarHBondContact OG-N 2.94Å; S484-D487 VanDerWaalsContact OG-N 3.08Å; S484-D487 PolarHBondContact OG-OD2 3.14Å; D487-L489 VanDerWaalsContact C-N 3.27Å; D487-L489 PolarHBondContact O-N 2.98Å; D487-R490 WeakPolarHBondContact O-CG 3.47Å
488L90.3Very high90Very high52 Ų5275.2 Ų75.227%0.27242%0.417SS..Hα-helixtrans-63.8-34.9175.1-178.268000112L474 H475 V478 V483 S484 F485 L486L474-L488 HydrophobicContact CB-CD2 3.92Å; H475-L488 HydrophobicContact CB-CD2 3.68Å; V478-L488 HydrophobicContact CG2-CD1 4.34Å; V478-L488 HydrophobicContact CG2-CD2 4.31Å; V483-L488 HydrophobicContact CG1-CB 4.34Å; S484-L488 PolarHBondContact O-N 3.48Å; F485-L488 PolarHBondContact O-N 2.99Å; L486-L488 VanDerWaalsContact C-N 3.27Å; L486-L488 PolarHBondContact O-N 3.07Å
489L89.9Confident90.1Very high9 Ų973.3 Ų73.35%0.04741%0.406CS..THydrogen-bonded Turntrans-98.114.8-175.9-60-176.1000113.9L25 C285 Y471 F485 L486 D487 N491 A492L25-L489 HydrophobicContact CD1-CD2 3.79Å; L25-L489 HydrophobicContact CD2-CD2 3.97Å; C285-L489 VanDerWaalsContact SG-CD1 3.59Å; Y471-L489 HydrophobicContact CD1-CD2 3.69Å; Y471-L489 HydrophobicContact CD2-CD1 3.57Å; Y471-L489 HydrophobicContact CD2-CD2 4.13Å; Y471-L489 HydrophobicContact CE1-CD2 4.25Å; Y471-L489 HydrophobicContact CE2-CD1 4.28Å; Y471-L489 HydrophobicContact CG-CD1 3.78Å; Y471-L489 HydrophobicContact CG-CD2 3.63Å; Y471-L489 HydrophobicContact CG-CG 4.37Å; F485-L489 HydrophobicContact CD1-CD1 3.95Å; F485-L489 HydrophobicContact CD2-CD1 4.49Å; F485-L489 HydrophobicContact CE1-CD1 3.33Å; F485-L489 HydrophobicContact CE1-CG 4.49Å; F485-L489 HydrophobicContact CE2-CD1 3.95Å; F485-L489 HydrophobicContact CG-CD1 4.49Å; F485-L489 HydrophobicContact CZ-CD1 3.34Å; F485-L489 HydrophobicContact CZ-CG 4.45Å; F485-L489 WeakPolarHBondContact O-CG 3.32Å; F485-L489 PolarHBondContact O-N 3Å; L486-L489 CarbonylContact O-C 3.51Å; L486-L489 PolarHBondContact O-N 2.99Å; L486-L489 VanDerWaalsContact O-N 3.08Å; D487-L489 VanDerWaalsContact C-N 3.27Å; D487-L489 PolarHBondContact O-N 2.98Å; L489-N491 PolarHBondContact O-N 3.38Å; L489-A492 HydrophobicContact CB-CB 4.13Å; L489-A492 WeakPolarHBondContact O-CB 3.47Å; L489-A492 PolarHBondContact O-N 3.22Å
490R86.6Confident90.4Very high195 Ų19579.8 Ų79.874%0.73643%0.427SS*.THydrogen-bonded Turntrans-54.9-20.1179.571.1-175.5-171.2-171.7-0.3115.1L486 D487L486-R490 PolarHBondContact O-N 2.82Å; L486-R490 VanDerWaalsContact O-N 3.11Å; D487-R490 WeakPolarHBondContact O-CG 3.47Å
491N83.3Confident90.6Very high122 Ų12274 Ų7465%0.65240%0.397SS*.THydrogen-bonded Turntrans-103.43.4177.9-65.9-19.2000113L489L489-N491 PolarHBondContact O-N 3.38Å
492A82.5Confident90.9Very high13 Ų1373.2 Ų73.211%0.10738%0.383CS..SBendtrans-66.1155175.200000109.9L25 L489 E494L25-A492 HydrophobicContact CD1-CB 3.96Å; L489-A492 HydrophobicContact CB-CB 4.13Å; L489-A492 WeakPolarHBondContact O-CB 3.47Å; L489-A492 PolarHBondContact O-N 3.22Å; A492-E494 PolarHBondContact O-N 3.36Å; A492-E494 VanDerWaalsContact O-N 3.14Å
493P77.9Confident91.1Very high92 Ų9281.5 Ų81.560%0.59739%0.392SS*.PPolyproline II helixtrans-53.8121.4176.6-26.234.9000111.8
494E81.8Confident91.3Very high165 Ų16581.8 Ų81.877%0.77140%0.397SS*.PPolyproline II helixtrans-74.6140.9178.2-70.8-164.7159.300111.4A492A492-E494 PolarHBondContact O-N 3.36Å; A492-E494 VanDerWaalsContact O-N 3.14Å
495P88.3Confident91.5Very high27 Ų2779.9 Ų79.918%0.17538%0.383CS..PPolyproline II helixtrans-67.514517432.8-37.6000110.4Y457 T458 I459Y457-P495 HydrophobicContact CD1-CB 4.45Å; Y457-P495 HydrophobicContact CD1-CG 4.26Å; Y457-P495 HydrophobicContact CG-CB 4.5Å; Y457-P495 HydrophobicContact CG-CG 4.47Å; T458-P495 CarbonylContact O-C 3.57Å; I459-P495 HydrophobicContact CB-CB 4.01Å; I459-P495 HydrophobicContact CD1-CB 4.24Å; I459-P495 HydrophobicContact CG1-CB 4.33Å
496Q92Very high91.6Very high146 Ų14681 Ų8168%0.68239%0.391SS*.EExtended strand (participates in β ladder)trans-89.1125.1-177.3-66.9-172.9-6.600110.9Y457 T458 V498Y457-Q496 CarbonylContact C-O 3.43Å; Y457-Q496 WeakPolarHBondContact CA-O 3.46Å; T458-Q496 PolarHBondContact N-O 3.3Å; T458-Q496 PolarHBondContact O-N 3.34Å; Q496-V498 PolarHBondContact O-N 3.29Å
497Q96.1Very high91.9Very high82 Ų8285.3 Ų85.338%0.38341%0.41SS..EExtended strand (participates in β ladder)trans-70.7121.3176.3-163.2-161.7-91.100110.4P455 Y457 R500P455-Q497 HydrophobicContact CB-CG 4.37Å; Y457-Q497 VanDerWaalsContact CD1-CA 3.47Å; Y457-Q497 HydrophobicContact CD1-CB 3.68Å; Y457-Q497 HydrophobicContact CD1-CG 4.17Å; Y457-Q497 HydrophobicContact CE1-CB 3.5Å; Y457-Q497 HydrophobicContact CE1-CG 3.8Å; Y457-Q497 HydrophobicContact CE2-CG 4.43Å; Y457-Q497 HydrophobicContact CG-CB 4.45Å; Q497-R500 VanDerWaalsContact NE2-NE 3.19Å; Q497-R500 VanDerWaalsContact OE1-CZ 3.26Å
498V96.6Very high92.2Very high37 Ų3782.2 Ų82.222%0.22440%0.395CS..EExtended strand (participates in β ladder)trans-99-38.2-176-178.40000112.2R442 L445 V456 T458 Q496R442-V498 HydrophobicContact CG-CG1 4.1Å; L445-V498 HydrophobicContact CD1-CB 4.26Å; L445-V498 HydrophobicContact CD1-CG1 4.01Å; L445-V498 HydrophobicContact CD1-CG2 4.4Å; V456-V498 PolarHBondContact O-N 2.98Å; T458-V498 HydrophobicContact CG2-CG2 3.66Å; T458-V498 VanDerWaalsContact OG1-CG2 3.23Å; T458-V498 WeakPolarHBondContact OG1-CG2 3.45Å; Q496-V498 PolarHBondContact O-N 3.29Å
499C97.4Very high92.6Very high6 Ų679.7 Ų79.74%0.04138%0.382CS..EExtended strand (participates in β ladder)trans-154.8168.218054.60000112.7L445 Q446 V456L445-C499 VanDerWaalsContact C-SG 3.57Å; L445-C499 PolarHBondContact O-SG 3.22Å; L445-C499 VanDerWaalsContact O-SG 3.35Å; Q446-C499 VanDerWaalsContact OE1-CB 3.26Å; V456-C499 PolarHBondContact N-O 3.19Å; V456-C499 VanDerWaalsContact N-O 3.1Å; V456-C499 PolarHBondContact O-N 3.3Å
500R98.1Very high92.9Very high154 Ų15482.2 Ų82.258%0.58140%0.395SS*.  trans-129.9152.5176.9-74.3-174.8171.2-119.5-1.3109.1Q446 P455 Q497Q446-R500 PolarHBondContact NE2-O 3.06Å; P455-R500 HydrophobicContact CB-CG 4.3Å; Q497-R500 VanDerWaalsContact NE2-NE 3.19Å; Q497-R500 VanDerWaalsContact OE1-CZ 3.26Å
501P97.6Very high93.5Very high35 Ų3575.7 Ų75.723%0.22738%0.378CS..  trans-64.5145-179.826.4-34.8000110.5S449 D450S449-P501 WeakPolarHBondContact OG-CD 3.29Å; D450-P501 WeakPolarHBondContact OD1-CA 3.41Å
502H97.4Very high94.2Very high85 Ų8570.7 Ų70.739%0.39435%0.351SS..  trans-59.6141.6165.4-69.493.1000110.1L363 Q446 D450 S504 A505L363-H502 HydrophobicContact CD2-CB 3.83Å; Q446-H502 PolarHBondContact NE2-ND1 2.93Å; D450-H502 IonicContact OD1-CE1 3.88Å; D450-H502 IonicContact OD1-CG 3.26Å; D450-H502 PolarHBondContact OD1-N 3.47Å; D450-H502 IonicContact OD1-ND1 2.99Å; D450-H502 PolarHBondContact OD1-ND1 2.69Å; D450-H502 IonicContact OD2-CE1 2.68Å; D450-H502 IonicContact OD2-CG 2.64Å; D450-H502 IonicContact OD2-ND1 3.61Å; D450-H502 PolarHBondContact OD2-ND1 3.43Å; H502-S504 PolarHBondContact O-N 2.85Å; H502-S504 VanDerWaalsContact O-N 3.09Å; H502-A505 HydrophobicContact CB-CB 4.29Å; H502-A505 WeakPolarHBondContact O-CB 3.49Å; H502-A505 PolarHBondContact O-N 3.17Å
503R95.8Very high95Very high244 Ų24470.5 Ų70.592%0.92135%0.348SS*.THydrogen-bonded Turntrans-58.9-27179.6-67.4-175.5-179.9-175.20.1113.6Q507R503-Q507 PolarHBondContact O-OE1 3.31Å
504S96.4Very high95.9Very high62 Ų6274.2 Ų74.243%0.43435%0.35SS..THydrogen-bonded Turntrans-90.7-1178.957.50000113.7H502 Q507 V508H502-S504 PolarHBondContact O-N 2.85Å; H502-S504 VanDerWaalsContact O-N 3.09Å; S504-Q507 PolarHBondContact O-N 2.84Å; S504-Q507 PolarHBondContact O-OE1 3.45Å; S504-V508 PolarHBondContact O-N 3.46Å
505A97.1Very high96.7Very high0 Ų068.5 Ų68.50%032%0.321CS..Hα-helixtrans-62.4-45.1-174.800000113.1L363 D450 H502 Q507 V508 Y509L363-A505 HydrophobicContact CD2-CB 4.12Å; D450-A505 HydrophobicContact CB-CB 3.85Å; D450-A505 WeakPolarHBondContact O-CB 3.41Å; H502-A505 HydrophobicContact CB-CB 4.29Å; H502-A505 WeakPolarHBondContact O-CB 3.49Å; H502-A505 PolarHBondContact O-N 3.17Å; A505-Q507 VanDerWaalsContact C-N 3.3Å; A505-Q507 PolarHBondContact O-N 3.21Å; A505-V508 PolarHBondContact O-N 2.76Å; A505-Y509 HydrophobicContact CB-CD2 3.96Å; A505-Y509 HydrophobicContact CB-CE2 4.19Å; A505-Y509 VanDerWaalsContact O-CD2 3.27Å; A505-Y509 WeakPolarHBondContact O-CD2 3.32Å; A505-Y509 PolarHBondContact O-N 3.05Å
506P95.6Very high97.2Very high26 Ų2667.3 Ų67.317%0.16931%0.313CS..Hα-helixtrans-58.7-39.8178.1-26.737000113.4N453 V508 D510N453-P506 HydrophobicContact CB-CG 4.26Å; N453-P506 VanDerWaalsContact CG-CG 3.47Å; N453-P506 WeakPolarHBondContact OD1-CG 3.41Å; P506-V508 PolarHBondContact O-N 3.27Å; P506-D510 VanDerWaalsContact O-CB 3.26Å; P506-D510 WeakPolarHBondContact O-CB 3.48Å; P506-D510 VanDerWaalsContact O-CG 3.3Å; P506-D510 PolarHBondContact O-N 3Å
507Q97.5Very high97.5Very high131 Ų13161.3 Ų61.361%0.61229%0.289SS*.Hα-helixtrans-64.1-23.5179.8-61.583-10.100112.2R503 S504 A505 P511R503-Q507 PolarHBondContact O-OE1 3.31Å; S504-Q507 PolarHBondContact O-N 2.84Å; S504-Q507 PolarHBondContact O-OE1 3.45Å; A505-Q507 VanDerWaalsContact C-N 3.3Å; A505-Q507 PolarHBondContact O-N 3.21Å; Q507-P511 VanDerWaalsContact O-CG 3.29Å; Q507-P511 WeakPolarHBondContact O-CG 3.38Å
508V98.2Very high97.6Very high43 Ų4362.9 Ų62.926%0.26130%0.296SS..Hα-helixtrans-93.6-54.9176.9176.90000110.9L363 S504 A505 P506 P511 M512L363-V508 HydrophobicContact CB-CB 4.5Å; L363-V508 HydrophobicContact CB-CG1 4.18Å; L363-V508 HydrophobicContact CB-CG2 4.27Å; S504-V508 PolarHBondContact O-N 3.46Å; A505-V508 PolarHBondContact O-N 2.76Å; P506-V508 PolarHBondContact O-N 3.27Å; V508-P511 WeakPolarHBondContact O-CD 3.5Å; V508-P511 WeakPolarHBondContact O-CG 3.36Å; V508-M512 WeakPolarHBondContact O-CB 3.41Å; V508-M512 PolarHBondContact O-N 3.07Å
509Y98.4Very high97.7Very high0 Ų061.1 Ų61.10%029%0.286CS..Hα-helixtrans-80.9-28.2-167.3-66.2-67000114L363 R405 E409 L413 D450 V451 A505 M512 L513L363-Y509 HydrophobicContact CB-CE2 4.22Å; L363-Y509 HydrophobicContact CD2-CE2 4.02Å; L363-Y509 HydrophobicContact CG-CE2 4.27Å; R405-Y509 PolarHBondContact NH1-OH 2.74Å; E409-Y509 HydrophobicContact CG-CE1 4.09Å; E409-Y509 WeakPolarHBondContact OE1-CE1 3.32Å; E409-Y509 PolarHBondContact OE1-OH 2.91Å; L413-Y509 HydrophobicContact CD2-CD1 4.22Å; D450-Y509 HydrophobicContact CB-CD2 4.14Å; D450-Y509 HydrophobicContact CB-CE2 3.52Å; D450-Y509 WeakPolarHBondContact O-CD2 3.37Å; V451-Y509 HydrophobicContact CG2-CD1 3.74Å; V451-Y509 HydrophobicContact CG2-CD2 4.49Å; V451-Y509 HydrophobicContact CG2-CE1 3.71Å; V451-Y509 HydrophobicContact CG2-CE2 4.49Å; V451-Y509 HydrophobicContact CG2-CG 4.14Å; A505-Y509 HydrophobicContact CB-CD2 3.96Å; A505-Y509 HydrophobicContact CB-CE2 4.19Å; A505-Y509 VanDerWaalsContact O-CD2 3.27Å; A505-Y509 WeakPolarHBondContact O-CD2 3.32Å; A505-Y509 PolarHBondContact O-N 3.05Å; Y509-M512 HydrophobicContact CD1-SD 4.08Å; Y509-M512 HydrophobicContact CE1-SD 4.21Å; Y509-M512 PolarHBondContact O-N 2.96Å; Y509-L513 VanDerWaalsContact O-CB 3.24Å; Y509-L513 WeakPolarHBondContact O-CB 3.37Å; Y509-L513 PolarHBondContact O-N 3.32Å
510D97.1Very high97.7Very high62 Ų6260.9 Ų60.933%0.33228%0.284SS..Hα-helixtrans-66.5-45.1177.1-64.4-15.8000113.4R416 P506 R514R416-D510 IonicContact CZ-OD1 3.08Å; R416-D510 IonicContact NH1-OD1 2.7Å; R416-D510 PolarHBondContact NH1-OD1 3.47Å; R416-D510 IonicContact NH2-OD1 3Å; R416-D510 PolarHBondContact NH2-OD1 3.27Å; P506-D510 VanDerWaalsContact O-CB 3.26Å; P506-D510 WeakPolarHBondContact O-CB 3.48Å; P506-D510 VanDerWaalsContact O-CG 3.3Å; P506-D510 PolarHBondContact O-N 3Å; D510-R514 PolarHBondContact O-NE 2.91Å
511P97.9Very high97.6Very high58 Ų5857.4 Ų57.438%0.37727%0.274SS..Hα-helixtrans-69.9-3617025.5-31.3000112.4Q507 V508 L513 R514 R515Q507-P511 VanDerWaalsContact O-CG 3.29Å; Q507-P511 WeakPolarHBondContact O-CG 3.38Å; V508-P511 WeakPolarHBondContact O-CD 3.5Å; V508-P511 WeakPolarHBondContact O-CG 3.36Å; P511-L513 VanDerWaalsContact C-N 3.34Å; P511-L513 PolarHBondContact O-N 2.87Å; P511-R514 PolarHBondContact O-N 3.31Å; P511-R515 PolarHBondContact O-N 2.98Å
512M98.4Very high97.5Very high16 Ų1659.7 Ų59.78%0.07928%0.281CS..Hα-helixtrans-65.2-35.1178.8-171177-17700112.6I369 L413 V508 Y509 R515 F516I369-M512 HydrophobicContact CD1-CE 4.18Å; I369-M512 HydrophobicContact CD1-CG 4.05Å; I369-M512 HydrophobicContact CG1-CE 3.53Å; I369-M512 HydrophobicContact CG1-CG 4.45Å; L413-M512 HydrophobicContact CD1-CE 3.77Å; L413-M512 HydrophobicContact CD1-CG 3.98Å; L413-M512 HydrophobicContact CD1-SD 3.94Å; V508-M512 WeakPolarHBondContact O-CB 3.41Å; V508-M512 PolarHBondContact O-N 3.07Å; Y509-M512 HydrophobicContact CD1-SD 4.08Å; Y509-M512 HydrophobicContact CE1-SD 4.21Å; Y509-M512 PolarHBondContact O-N 2.96Å; M512-R515 PolarHBondContact O-N 2.86Å; M512-F516 VanDerWaalsContact O-CB 3.29Å; M512-F516 WeakPolarHBondContact O-CB 3.35Å; M512-F516 PolarHBondContact O-N 2.64Å
513L98.6Very high97.4Very high9 Ų955.7 Ų55.75%0.04726%0.262CS..Hα-helixtrans-63.9-41.6176.9-171.572.2000111.9L413 R416 L417 E420 Y509 P511 F516 A517L413-L513 HydrophobicContact CB-CD1 4.32Å; L413-L513 HydrophobicContact CD2-CB 4.18Å; L413-L513 HydrophobicContact CD2-CD1 3.75Å; L413-L513 WeakPolarHBondContact O-CD1 3.47Å; R416-L513 HydrophobicContact CB-CD1 4.23Å; R416-L513 HydrophobicContact CG-CD1 4.24Å; R416-L513 HydrophobicContact CG-CD2 3.95Å; L417-L513 HydrophobicContact CB-CD1 3.88Å; E420-L513 WeakPolarHBondContact OE2-CD2 3.29Å; Y509-L513 VanDerWaalsContact O-CB 3.24Å; Y509-L513 WeakPolarHBondContact O-CB 3.37Å; Y509-L513 PolarHBondContact O-N 3.32Å; P511-L513 VanDerWaalsContact C-N 3.34Å; P511-L513 PolarHBondContact O-N 2.87Å; L513-F516 WeakPolarHBondContact O-CB 3.49Å; L513-F516 PolarHBondContact O-N 3.13Å; L513-A517 PolarHBondContact O-N 3Å
514R98.1Very high97.3Very high171 Ų17145 Ų4565%0.64522%0.223SC*.Hα-helixtrans-60.5-47.2174.8-73-179.8-82.2170.4-5.4111.1D510 P511 A517 E518D510-R514 PolarHBondContact O-NE 2.91Å; P511-R514 PolarHBondContact O-N 3.31Å; R514-A517 WeakPolarHBondContact O-CB 3.41Å; R514-A517 PolarHBondContact O-N 2.83Å; R514-E518 PolarHBondContact O-N 2.97Å
515R98.3Very high97Very high44 Ų4447.9 Ų47.917%0.16623%0.23CC..Hα-helixtrans-64.6-39.5175.8-175.9174.7168.8-112.7-10.2112.6G367 I369 D389 D392 P511 M512 A517 E518 L519G367-R515 PolarHBondContact O-NH1 2.85Å; I369-R515 HydrophobicContact CD1-CG 4.23Å; D389-R515 PolarHBondContact O-NH2 3.06Å; D392-R515 IonicContact OD1-CZ 2.65Å; D392-R515 IonicContact OD1-NE 2.99Å; D392-R515 PolarHBondContact OD1-NE 3.19Å; D392-R515 IonicContact OD1-NH2 3.34Å; D392-R515 PolarHBondContact OD1-NH2 2.65Å; P511-R515 PolarHBondContact O-N 2.98Å; M512-R515 PolarHBondContact O-N 2.86Å; R515-A517 VanDerWaalsContact C-N 3.3Å; R515-A517 PolarHBondContact O-N 3.27Å; R515-E518 PolarHBondContact O-N 3.43Å; R515-L519 HydrophobicContact CG-CD1 4.4Å; R515-L519 WeakPolarHBondContact O-CG 3.42Å; R515-L519 PolarHBondContact O-N 2.81Å
516F98.7Very high96.2Very high2 Ų253 Ų531%0.00925%0.252CS..Hα-helixtrans-58.9-42.8175.2-175.9-85.2000111I369 F371 G410 L413 L417 M512 L513 E518 L519 E520I369-F516 HydrophobicContact CD1-CB 4.41Å; I369-F516 HydrophobicContact CG2-CD2 3.59Å; I369-F516 HydrophobicContact CG2-CE2 4Å; F371-F516 HydrophobicContact CD1-CE1 4.5Å; F371-F516 HydrophobicContact CD1-CE2 4.08Å; F371-F516 AromaticContact CD1-CZ 3.76Å; F371-F516 HydrophobicContact CD1-CZ 3.76Å; F371-F516 HydrophobicContact CE1-CD1 4.27Å; F371-F516 HydrophobicContact CE1-CD2 4.17Å; F371-F516 AromaticContact CE1-CE1 3.62Å; F371-F516 HydrophobicContact CE1-CE1 3.62Å; F371-F516 AromaticContact CE1-CE2 3.5Å; F371-F516 HydrophobicContact CE1-CE2 3.5Å; F371-F516 AromaticContact CE1-CZ 3.19Å; F371-F516 HydrophobicContact CE1-CZ 3.19Å; F371-F516 HydrophobicContact CE2-CE2 4.46Å; F371-F516 HydrophobicContact CZ-CD1 4.45Å; F371-F516 AromaticContact CZ-CD2 3.98Å; F371-F516 HydrophobicContact CZ-CD2 3.98Å; F371-F516 HydrophobicContact CZ-CE1 4.23Å; F371-F516 AromaticContact CZ-CE2 3.72Å; F371-F516 HydrophobicContact CZ-CE2 3.72Å; F371-F516 HydrophobicContact CZ-CG 4.33Å; F371-F516 AromaticContact CZ-CZ 3.86Å; F371-F516 HydrophobicContact CZ-CZ 3.86Å; G410-F516 WeakPolarHBondContact O-CZ 3.47Å; L413-F516 HydrophobicContact CB-CD1 4.22Å; L413-F516 HydrophobicContact CB-CD2 3.84Å; L413-F516 HydrophobicContact CB-CE1 4.41Å; L413-F516 HydrophobicContact CB-CE2 4.04Å; L413-F516 HydrophobicContact CB-CG 3.95Å; L413-F516 HydrophobicContact CB-CZ 4.31Å; L413-F516 HydrophobicContact CD1-CB 4.47Å; L413-F516 HydrophobicContact CD1-CD2 3.88Å; L413-F516 HydrophobicContact CD1-CG 4.36Å; L417-F516 HydrophobicContact CD2-CD1 3.92Å; L417-F516 HydrophobicContact CD2-CE1 4.27Å; M512-F516 VanDerWaalsContact O-CB 3.29Å; M512-F516 WeakPolarHBondContact O-CB 3.35Å; M512-F516 PolarHBondContact O-N 2.64Å; L513-F516 WeakPolarHBondContact O-CB 3.49Å; L513-F516 PolarHBondContact O-N 3.13Å; F516-E518 PolarHBondContact O-N 2.68Å; F516-L519 PolarHBondContact O-N 3.38Å; F516-E520 WeakPolarHBondContact O-CB 3.49Å; F516-E520 PolarHBondContact O-N 3.43Å
517A98.2Very high95.1Very high20 Ų2053.4 Ų53.417%0.16526%0.255CS..Hα-helixtrans-61.9-40.7177.400000112.8L417 L513 R514 R515 E520 Q521L417-A517 HydrophobicContact CD1-CB 3.79Å; L417-A517 HydrophobicContact CD2-CB 3.72Å; L417-A517 HydrophobicContact CG-CB 4.44Å; L513-A517 PolarHBondContact O-N 3Å; R514-A517 WeakPolarHBondContact O-CB 3.41Å; R514-A517 PolarHBondContact O-N 2.83Å; R515-A517 VanDerWaalsContact C-N 3.3Å; R515-A517 PolarHBondContact O-N 3.27Å; A517-E520 PolarHBondContact O-N 2.91Å; A517-Q521 WeakPolarHBondContact O-CG 3.37Å; A517-Q521 PolarHBondContact O-N 3.25Å
518E98.1Very high93.4Very high116 Ų11656.8 Ų56.854%0.54226%0.262SS..Hα-helixtrans-66-42176-67.2172.8-172.800112R514 R515 F516 Q521 K522R514-E518 PolarHBondContact O-N 2.97Å; R515-E518 PolarHBondContact O-N 3.43Å; F516-E518 PolarHBondContact O-N 2.68Å; E518-Q521 PolarHBondContact O-N 2.98Å; E518-K522 PolarHBondContact O-N 3.12Å
519L98.3Very high90.6Very high0 Ų066.5 Ų66.50%030%0.302CS..Hα-helixtrans-67.8-36.6176.4-66.3177000112I369 F371 F388 D392 R515 F516 Q521 K522 V523I369-L519 HydrophobicContact CB-CD1 3.97Å; I369-L519 HydrophobicContact CD1-CD1 3.8Å; I369-L519 HydrophobicContact CG1-CD1 4.45Å; I369-L519 HydrophobicContact CG2-CD1 3.99Å; F371-L519 HydrophobicContact CE2-CB 3.82Å; F371-L519 HydrophobicContact CZ-CB 3.88Å; F388-L519 HydrophobicContact CB-CD1 3.89Å; F388-L519 HydrophobicContact CB-CD2 4.42Å; F388-L519 HydrophobicContact CD1-CD2 3.83Å; F388-L519 HydrophobicContact CD2-CB 4.42Å; F388-L519 HydrophobicContact CD2-CD1 4.04Å; F388-L519 HydrophobicContact CD2-CD2 4.3Å; F388-L519 HydrophobicContact CD2-CG 4.5Å; F388-L519 HydrophobicContact CE1-CD2 4.1Å; F388-L519 HydrophobicContact CE2-CB 4.41Å; F388-L519 HydrophobicContact CG-CD1 3.96Å; F388-L519 HydrophobicContact CG-CD2 3.93Å; F388-L519 HydrophobicContact CG-CG 4.46Å; F388-L519 HydrophobicContact CZ-CD2 4.44Å; D392-L519 HydrophobicContact CB-CD2 4.18Å; R515-L519 HydrophobicContact CG-CD1 4.4Å; R515-L519 WeakPolarHBondContact O-CG 3.42Å; R515-L519 PolarHBondContact O-N 2.81Å; F516-L519 PolarHBondContact O-N 3.38Å; L519-Q521 VanDerWaalsContact C-N 3.3Å; L519-Q521 PolarHBondContact O-N 3.46Å; L519-K522 HydrophobicContact CD2-CD 4.16Å; L519-K522 WeakPolarHBondContact O-CB 3.46Å; L519-K522 PolarHBondContact O-N 2.95Å; L519-V523 WeakPolarHBondContact O-CG2 3.47Å; L519-V523 PolarHBondContact O-N 3.47Å
520E97.9Very high90.2Very high1 Ų169.8 Ų69.81%0.00532%0.317CS..Hα-helixtrans-59-42.2174.3-173.3-176.2-109.300110.9F371 P380 H418 R421 F516 A517 K522 V523 L524F371-E520 HydrophobicContact CE1-CB 3.83Å; F371-E520 HydrophobicContact CE1-CG 4.22Å; F371-E520 HydrophobicContact CZ-CB 4.1Å; P380-E520 HydrophobicContact CG-CG 3.89Å; H418-E520 IonicContact CD2-OE1 3.68Å; H418-E520 IonicContact CE1-OE1 3.69Å; H418-E520 IonicContact CE1-OE2 2.89Å; H418-E520 IonicContact NE2-OE1 3.95Å; H418-E520 PolarHBondContact NE2-OE1 2.94Å; H418-E520 IonicContact NE2-OE2 3.51Å; R421-E520 IonicContact CZ-OE2 3.55Å; R421-E520 IonicContact NH1-OE2 2.81Å; R421-E520 PolarHBondContact NH1-OE2 3.35Å; R421-E520 IonicContact NH2-OE2 3.43Å; R421-E520 PolarHBondContact NH2-OE2 3.16Å; F516-E520 WeakPolarHBondContact O-CB 3.49Å; F516-E520 PolarHBondContact O-N 3.43Å; A517-E520 PolarHBondContact O-N 2.91Å; E520-K522 PolarHBondContact O-N 3.17Å; E520-V523 WeakPolarHBondContact O-CB 3.47Å; E520-V523 PolarHBondContact O-N 3.46Å; E520-V523 VanDerWaalsContact O-N 3.16Å; E520-L524 HydrophobicContact CG-CD1 4.27Å; E520-L524 WeakPolarHBondContact O-CG 3.46Å; E520-L524 PolarHBondContact O-N 2.97Å
521Q96.1Very high89.8Confident81 Ų8170.2 Ų70.238%0.37932%0.316SS..Hα-helixtrans-61.8-42.8175.1-66.6-56.1-46.200112.2A517 E518 L519 V523 L524 E525A517-Q521 WeakPolarHBondContact O-CG 3.37Å; A517-Q521 PolarHBondContact O-N 3.25Å; E518-Q521 PolarHBondContact O-N 2.98Å; L519-Q521 VanDerWaalsContact C-N 3.3Å; L519-Q521 PolarHBondContact O-N 3.46Å; Q521-V523 VanDerWaalsContact C-N 3.27Å; Q521-V523 PolarHBondContact O-N 3Å; Q521-L524 PolarHBondContact O-N 3.47Å; Q521-E525 WeakPolarHBondContact O-CG 3.43Å; Q521-E525 PolarHBondContact O-N 3.18Å
522K95.4Very high89.4Confident82 Ų8270.9 Ų70.936%0.35731%0.313SS..Hα-helixtrans-61.4-35.3174.7-65.6177-172.6168.30112.4E518 L519 E520 K526E518-K522 PolarHBondContact O-N 3.12Å; L519-K522 HydrophobicContact CD2-CD 4.16Å; L519-K522 WeakPolarHBondContact O-CB 3.46Å; L519-K522 PolarHBondContact O-N 2.95Å; E520-K522 PolarHBondContact O-N 3.17Å; K522-K526 WeakPolarHBondContact O-CG 3.45Å; K522-K526 PolarHBondContact O-N 2.93Å
523V95.6Very high88.8Confident1 Ų174.1 Ų74.11%0.00633%0.326CS..Hα-helixtrans-67.2-45.3174.9169.90000110.4F371 F373 A382 H386 F388 L519 E520 Q521 E525 K526 S527F371-V523 HydrophobicContact CD2-CG2 3.97Å; F371-V523 HydrophobicContact CE2-CG2 4.2Å; F371-V523 HydrophobicContact CG-CG2 4.28Å; F373-V523 HydrophobicContact CE2-CG1 4.3Å; A382-V523 HydrophobicContact CB-CG1 4Å; H386-V523 HydrophobicContact CB-CG2 3.77Å; F388-V523 HydrophobicContact CE2-CG2 3.97Å; F388-V523 HydrophobicContact CZ-CG2 4.14Å; L519-V523 WeakPolarHBondContact O-CG2 3.47Å; L519-V523 PolarHBondContact O-N 3.47Å; E520-V523 WeakPolarHBondContact O-CB 3.47Å; E520-V523 PolarHBondContact O-N 3.46Å; E520-V523 VanDerWaalsContact O-N 3.16Å; Q521-V523 VanDerWaalsContact C-N 3.27Å; Q521-V523 PolarHBondContact O-N 3Å; V523-E525 PolarHBondContact O-N 3.49Å; V523-K526 PolarHBondContact O-N 3.2Å; V523-S527 PolarHBondContact O-N 3.35Å; V523-S527 VanDerWaalsContact O-N 3.11Å; V523-S527 PolarHBondContact O-OG 3.11Å
524L93Very high88.2Confident20 Ų2078.2 Ų78.211%0.10534%0.344CS..Hα-helixtrans-64.3-39.1180-70.1169.4000113P380 A382 E520 Q521 K526 S527 R528P380-L524 HydrophobicContact CB-CD1 4.04Å; P380-L524 HydrophobicContact CB-CD2 3.78Å; P380-L524 HydrophobicContact CB-CG 4.4Å; P380-L524 HydrophobicContact CG-CD1 4.27Å; P380-L524 HydrophobicContact CG-CD2 3.9Å; P380-L524 HydrophobicContact CG-CG 4.33Å; A382-L524 HydrophobicContact CB-CD2 3.95Å; E520-L524 HydrophobicContact CG-CD1 4.27Å; E520-L524 WeakPolarHBondContact O-CG 3.46Å; E520-L524 PolarHBondContact O-N 2.97Å; Q521-L524 PolarHBondContact O-N 3.47Å; L524-K526 VanDerWaalsContact C-N 3.27Å; L524-K526 PolarHBondContact O-N 3.38Å; L524-S527 PolarHBondContact O-N 3.21Å; L524-R528 WeakPolarHBondContact O-CG 3.23Å; L524-R528 PolarHBondContact O-N 3.39Å
525E90.6Very high87.6Confident122 Ų12272 Ų7257%0.5732%0.324SS*.Hα-helixtrans-60.6-36.4175-73.9174.2174.900112.4Q521 V523Q521-E525 WeakPolarHBondContact O-CG 3.43Å; Q521-E525 PolarHBondContact O-N 3.18Å; V523-E525 PolarHBondContact O-N 3.49Å
526K80.8Confident86.8Confident108 Ų10874 Ų7447%0.4734%0.335SS..Hα-helixtrans-74.2-30176.6-70.8178.9-179.8178.10113.1K522 V523 L524 R528K522-K526 WeakPolarHBondContact O-CG 3.45Å; K522-K526 PolarHBondContact O-N 2.93Å; V523-K526 PolarHBondContact O-N 3.2Å; L524-K526 VanDerWaalsContact C-N 3.27Å; L524-K526 PolarHBondContact O-N 3.38Å; K526-R528 VanDerWaalsContact C-N 3.29Å; K526-R528 PolarHBondContact O-N 3.21Å
527S72.6Confident85.9Confident34 Ų3479.5 Ų79.524%0.23836%0.36CS..Hα-helixtrans-80.4-4.7179.6-65.60000114.3V523 L524 F529V523-S527 PolarHBondContact O-N 3.35Å; V523-S527 VanDerWaalsContact O-N 3.11Å; V523-S527 PolarHBondContact O-OG 3.11Å; L524-S527 PolarHBondContact O-N 3.21Å; S527-F529 PolarHBondContact O-N 3.37Å
528R61Low84.9Confident202 Ų20284.5 Ų84.576%0.76238%0.376SS*.THydrogen-bonded Turntrans-80.65.6177.6-76.2178.8-177.8-168.32.3114.6L524 K526L524-R528 WeakPolarHBondContact O-CG 3.23Å; L524-R528 PolarHBondContact O-N 3.39Å; K526-R528 VanDerWaalsContact C-N 3.29Å; K526-R528 PolarHBondContact O-N 3.21Å
529F39.1Very low83.7Confident247 Ų24781.6 Ų81.6100%1.08336%0.361SS*.  trans-116.30-176.7-66.3-76.8000112.9S527S527-F529 PolarHBondContact O-N 3.37Å

Retrieved 529 of 529 residues in 988.9 ms (Link to these results)

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