A0A087X8I1_POEFO Loading...

DNA repair protein

Involved in the homologous recombination repair (HRR) pathway of double-stranded DNA, thought to repair chromosomal fragmentation, translocations and deletions.

AlphaFold DB , UniProt , Accession A0A087X8I1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 346 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
1M58Low79.9Confident188 Ų18898.8 Ų98.893%0.92648%0.479SS*.  0136.70-72.5-175.3-164.800107.2
2N71.6Confident81Confident73 Ų7390.6 Ų90.639%0.3944%0.439SS..  trans-120.8102.3-173.6-158.9-1.3000108.9D4 Q5N2-D4 PolarHBondContact O-N 3.49Å; N2-D4 VanDerWaalsContact O-N 3.15Å; N2-D4 VanDerWaalsContact OD1-CB 3.24Å; N2-D4 WeakPolarHBondContact OD1-CB 3.38Å; N2-D4 PolarHBondContact OD1-N 2.7Å; N2-D4 PolarHBondContact OD1-OD2 2.7Å; N2-Q5 HydrophobicContact CB-CG 4.03Å; N2-Q5 VanDerWaalsContact O-CB 3.25Å; N2-Q5 WeakPolarHBondContact O-CB 3.24Å; N2-Q5 PolarHBondContact O-N 3.11Å
3W77.3Confident81.8Confident23 Ų2385 Ų859%0.08741%0.413CS..G310 helixtrans-57.5-23.2174.1-68.8100000111.3Q5 L6 I13 V16 L21 S23 F24 V27 L49W3-Q5 PolarHBondContact O-N 2.65Å; W3-L6 HydrophobicContact CE3-CD1 3.88Å; W3-L6 HydrophobicContact CZ3-CD1 4.13Å; W3-L6 WeakPolarHBondContact O-CB 3.39Å; W3-L6 PolarHBondContact O-N 3.22Å; W3-I13 HydrophobicContact CB-CG2 4.01Å; W3-V16 HydrophobicContact CD2-CG1 3.88Å; W3-V16 HydrophobicContact CE3-CG1 3.79Å; W3-V16 HydrophobicContact CH2-CG1 3.61Å; W3-V16 HydrophobicContact CZ2-CG1 3.67Å; W3-V16 HydrophobicContact CZ3-CG1 3.65Å; W3-L21 HydrophobicContact CH2-CB 4.47Å; W3-L21 HydrophobicContact CZ2-CB 4.32Å; W3-L21 WeakPolarHBondContact CZ2-O 3.31Å; W3-S23 VanDerWaalsContact CH2-C 3.48Å; W3-S23 WeakPolarHBondContact CH2-O 3.41Å; W3-F24 HydrophobicContact CD2-CD1 4.36Å; W3-F24 AromaticContact CD2-CE1 3.96Å; W3-F24 HydrophobicContact CD2-CE1 3.96Å; W3-F24 AromaticContact CE3-CD1 3.71Å; W3-F24 HydrophobicContact CE3-CD1 3.71Å; W3-F24 AromaticContact CE3-CE1 3.55Å; W3-F24 HydrophobicContact CE3-CE1 3.55Å; W3-F24 AromaticContact CH2-CD1 3.86Å; W3-F24 HydrophobicContact CH2-CD1 3.86Å; W3-F24 HydrophobicContact CH2-CE1 4.42Å; W3-F24 HydrophobicContact CZ2-CD1 4.49Å; W3-F24 AromaticContact CZ3-CD1 3.44Å; W3-F24 HydrophobicContact CZ3-CD1 3.44Å; W3-F24 VanDerWaalsContact CZ3-CD1 3.44Å; W3-F24 AromaticContact CZ3-CE1 3.82Å; W3-F24 HydrophobicContact CZ3-CE1 3.82Å; W3-V27 HydrophobicContact CH2-CG2 3.66Å; W3-V27 HydrophobicContact CZ3-CG2 3.97Å; W3-L49 HydrophobicContact CZ3-CD1 4.5Å
4D72.6Confident82.5Confident102 Ų10283.2 Ų83.255%0.54541%0.413SS..G310 helixtrans-66.9-12.6173.8-49.9-23.9000113.1N2 L6N2-D4 PolarHBondContact O-N 3.49Å; N2-D4 VanDerWaalsContact O-N 3.15Å; N2-D4 VanDerWaalsContact OD1-CB 3.24Å; N2-D4 WeakPolarHBondContact OD1-CB 3.38Å; N2-D4 PolarHBondContact OD1-N 2.7Å; N2-D4 PolarHBondContact OD1-OD2 2.7Å; D4-L6 VanDerWaalsContact C-N 3.3Å
5Q76.9Confident83.2Confident141 Ų14177.7 Ų77.766%0.65939%0.386SS*.G310 helixtrans-73.1-24.9169.1-71.9171-6.700112.2N2 W3 Q7N2-Q5 HydrophobicContact CB-CG 4.03Å; N2-Q5 VanDerWaalsContact O-CB 3.25Å; N2-Q5 WeakPolarHBondContact O-CB 3.24Å; N2-Q5 PolarHBondContact O-N 3.11Å; W3-Q5 PolarHBondContact O-N 2.65Å; Q5-Q7 PolarHBondContact O-N 2.92Å
6L76.6Confident83.7Confident13 Ų1372.9 Ų72.97%0.06836%0.362CS..SBendtrans-80.2119.9170.1-57.8-179.5000106.4W3 D4 L8 F24 A52 A56W3-L6 HydrophobicContact CE3-CD1 3.88Å; W3-L6 HydrophobicContact CZ3-CD1 4.13Å; W3-L6 WeakPolarHBondContact O-CB 3.39Å; W3-L6 PolarHBondContact O-N 3.22Å; D4-L6 VanDerWaalsContact C-N 3.3Å; L6-L8 HydrophobicContact CB-CD1 3.69Å; L6-L8 HydrophobicContact CB-CG 3.83Å; L6-L8 HydrophobicContact CD1-CD1 3.77Å; L6-L8 HydrophobicContact CG-CD1 4.4Å; L6-L8 PolarHBondContact O-N 3.29Å; L6-F24 HydrophobicContact CD1-CD1 3.59Å; L6-F24 HydrophobicContact CD1-CE1 3.42Å; L6-F24 VanDerWaalsContact CD1-CE1 3.42Å; L6-F24 HydrophobicContact CD1-CG 4.41Å; L6-F24 HydrophobicContact CD1-CZ 4.11Å; L6-F24 HydrophobicContact CD2-CE1 4.23Å; L6-F24 HydrophobicContact CD2-CE2 4.35Å; L6-F24 HydrophobicContact CD2-CZ 4.12Å; L6-F24 HydrophobicContact CG-CD1 4.23Å; L6-F24 HydrophobicContact CG-CE1 3.66Å; L6-F24 HydrophobicContact CG-CZ 3.84Å; L6-A52 HydrophobicContact CB-CB 4.44Å; L6-A52 HydrophobicContact CD1-CB 4.43Å; L6-A52 HydrophobicContact CD2-CB 4.33Å; L6-A56 HydrophobicContact CD2-CB 3.44Å; L6-A56 VanDerWaalsContact CD2-CB 3.44Å
7Q82.7Confident84Confident199 Ų19974.5 Ų74.593%0.9337%0.369SS*.  trans-69.958176-63.9179.7-200111Q5Q5-Q7 PolarHBondContact O-N 2.92Å
8L89Confident84.5Confident17 Ų1779.7 Ų79.79%0.08938%0.383CS..  trans-98.3155-178.4-72.9171.9000110.1L6 I12 I13 E48 L49 A52L6-L8 HydrophobicContact CB-CD1 3.69Å; L6-L8 HydrophobicContact CB-CG 3.83Å; L6-L8 HydrophobicContact CD1-CD1 3.77Å; L6-L8 HydrophobicContact CG-CD1 4.4Å; L6-L8 PolarHBondContact O-N 3.29Å; L8-I12 HydrophobicContact CB-CB 4.44Å; L8-I12 HydrophobicContact CB-CG2 4.49Å; L8-I12 HydrophobicContact CD1-CG2 4.09Å; L8-I12 HydrophobicContact CD2-CD1 4.29Å; L8-I12 HydrophobicContact CD2-CG2 4.45Å; L8-I13 HydrophobicContact CB-CD1 4.34Å; L8-I13 HydrophobicContact CB-CG1 4Å; L8-E48 HydrophobicContact CD2-CG 3.83Å; L8-L49 HydrophobicContact CD1-CD1 3.76Å; L8-A52 HydrophobicContact CD1-CB 4.11Å; L8-A52 HydrophobicContact CD2-CB 3.64Å; L8-A52 HydrophobicContact CG-CB 3.92Å
9K91.6Very high84.8Confident89 Ų8976.5 Ų76.539%0.38737%0.371SS..  trans-57.4139.7172.2-65.1166.9-175.3142.40110.4R11 I12 I13 D45 E48K9-R11 HydrophobicContact CB-CG 4Å; K9-R11 PolarHBondContact O-N 2.85Å; K9-I12 HydrophobicContact CB-CD1 4.11Å; K9-I12 HydrophobicContact CB-CG1 4.17Å; K9-I12 HydrophobicContact CD-CD1 4.33Å; K9-I12 WeakPolarHBondContact O-CB 3.37Å; K9-I12 PolarHBondContact O-N 3.05Å; K9-I13 PolarHBondContact O-N 2.97Å; K9-D45 IonicContact NZ-OD1 3.87Å; K9-E48 WeakPolarHBondContact CE-OE2 3.45Å; K9-E48 IonicContact NZ-OE2 2.7Å; K9-E48 PolarHBondContact NZ-OE2 3.08Å
10P90.7Very high85.1Confident102 Ų10280.4 Ų80.466%0.66239%0.388SS*.Hα-helixtrans-52.9-35.4179.1-28.434.3000113.5I12 I13 S14P10-I12 VanDerWaalsContact C-N 3.28Å; P10-I12 PolarHBondContact O-N 3.07Å; P10-I13 PolarHBondContact O-N 2.98Å; P10-S14 PolarHBondContact O-N 2.94Å; P10-S14 PolarHBondContact O-OG 2.93Å; P10-S14 VanDerWaalsContact O-OG 3.08Å
11R92.3Very high85.3Confident140 Ų14076.9 Ų76.953%0.52837%0.372SS..Hα-helixtrans-58.4-37.2175.574.3-177.9-176.3-174.8-0.4113.4K9 A15 D45K9-R11 HydrophobicContact CB-CG 4Å; K9-R11 PolarHBondContact O-N 2.85Å; R11-A15 WeakPolarHBondContact O-CB 3.49Å; R11-A15 PolarHBondContact O-N 3.14Å; R11-A15 VanDerWaalsContact O-N 3.11Å; R11-D45 IonicContact CZ-OD1 3.11Å; R11-D45 VanDerWaalsContact CZ-OD1 3.26Å; R11-D45 IonicContact CZ-OD2 3.06Å; R11-D45 VanDerWaalsContact CZ-OD2 3.31Å; R11-D45 IonicContact NE-OD1 3.3Å; R11-D45 PolarHBondContact NE-OD1 3.35Å; R11-D45 VanDerWaalsContact NE-OD1 3.14Å; R11-D45 IonicContact NE-OD2 3.18Å; R11-D45 PolarHBondContact NE-OD2 3.13Å; R11-D45 VanDerWaalsContact NH2-CG 3.27Å; R11-D45 IonicContact NH2-OD1 2.65Å; R11-D45 PolarHBondContact NH2-OD1 3.14Å; R11-D45 IonicContact NH2-OD2 3.11Å; R11-D45 PolarHBondContact NH2-OD2 3.41Å; R11-D45 VanDerWaalsContact NH2-OD2 3.11Å
12I93.1Very high86.5Confident0 Ų075.7 Ų75.70%036%0.361CS..Hα-helixtrans-72.6-46.8-179.5-61176.1000108.7L8 K9 P10 S14 A15 V16 L41 D45 E48 L49L8-I12 HydrophobicContact CB-CB 4.44Å; L8-I12 HydrophobicContact CB-CG2 4.49Å; L8-I12 HydrophobicContact CD1-CG2 4.09Å; L8-I12 HydrophobicContact CD2-CD1 4.29Å; L8-I12 HydrophobicContact CD2-CG2 4.45Å; K9-I12 HydrophobicContact CB-CD1 4.11Å; K9-I12 HydrophobicContact CB-CG1 4.17Å; K9-I12 HydrophobicContact CD-CD1 4.33Å; K9-I12 WeakPolarHBondContact O-CB 3.37Å; K9-I12 PolarHBondContact O-N 3.05Å; P10-I12 VanDerWaalsContact C-N 3.28Å; P10-I12 PolarHBondContact O-N 3.07Å; I12-S14 PolarHBondContact O-N 3.37Å; I12-A15 PolarHBondContact O-N 2.73Å; I12-A15 VanDerWaalsContact O-N 3.14Å; I12-V16 HydrophobicContact CG2-CG2 4.39Å; I12-V16 VanDerWaalsContact O-CG2 3.3Å; I12-V16 WeakPolarHBondContact O-CG2 3.4Å; I12-V16 PolarHBondContact O-N 3.33Å; I12-L41 HydrophobicContact CB-CD1 4.47Å; I12-L41 HydrophobicContact CG1-CD2 4.4Å; I12-L41 HydrophobicContact CG2-CD1 3.99Å; I12-D45 HydrophobicContact CD1-CB 4.03Å; I12-D45 HydrophobicContact CG1-CB 4.06Å; I12-E48 HydrophobicContact CD1-CB 4.18Å; I12-E48 HydrophobicContact CD1-CG 4.24Å; I12-L49 HydrophobicContact CG2-CB 3.93Å; I12-L49 HydrophobicContact CG2-CD1 4.14Å; I12-L49 HydrophobicContact CG2-CD2 4.5Å; I12-L49 HydrophobicContact CG2-CG 4.4Å
13I91.8Very high87.3Confident18 Ų1873.6 Ų73.69%0.09235%0.352CS..Hα-helixtrans-57.8-48.7177.9-61.7174.6000110.4W3 L8 K9 P10 A15 V16 Q17W3-I13 HydrophobicContact CB-CG2 4.01Å; L8-I13 HydrophobicContact CB-CD1 4.34Å; L8-I13 HydrophobicContact CB-CG1 4Å; K9-I13 PolarHBondContact O-N 2.97Å; P10-I13 PolarHBondContact O-N 2.98Å; I13-A15 VanDerWaalsContact C-N 3.31Å; I13-A15 PolarHBondContact O-N 3.43Å; I13-V16 PolarHBondContact O-N 3.15Å; I13-Q17 WeakPolarHBondContact O-CG 3.36Å; I13-Q17 PolarHBondContact O-N 3.38Å
14S91.2Very high87.9Confident60 Ų6074.2 Ų74.242%0.4236%0.355SS..Hα-helixtrans-62.8-35.6177.7-58.10000112.8P10 I12 R18P10-S14 PolarHBondContact O-N 2.94Å; P10-S14 PolarHBondContact O-OG 2.93Å; P10-S14 VanDerWaalsContact O-OG 3.08Å; I12-S14 PolarHBondContact O-N 3.37Å; S14-R18 WeakPolarHBondContact O-CB 3.42Å; S14-R18 VanDerWaalsContact O-CG 3.31Å; S14-R18 WeakPolarHBondContact O-CG 3.25Å; S14-R18 PolarHBondContact O-N 3.3Å
15A92.5Very high88.6Confident1 Ų177.8 Ų77.81%0.00836%0.361CS..Hα-helixtrans-69.4-40.4176.800000112.5R11 I12 I13 R18 A19 L41R11-A15 WeakPolarHBondContact O-CB 3.49Å; R11-A15 PolarHBondContact O-N 3.14Å; R11-A15 VanDerWaalsContact O-N 3.11Å; I12-A15 PolarHBondContact O-N 2.73Å; I12-A15 VanDerWaalsContact O-N 3.14Å; I13-A15 VanDerWaalsContact C-N 3.31Å; I13-A15 PolarHBondContact O-N 3.43Å; A15-R18 PolarHBondContact O-N 3.32Å; A15-A19 WeakPolarHBondContact O-CB 3.3Å; A15-A19 PolarHBondContact O-N 3.36Å; A15-L41 HydrophobicContact CB-CD1 3.98Å; A15-L41 HydrophobicContact CB-CD2 3.63Å; A15-L41 HydrophobicContact CB-CG 3.72Å
16V90.9Very high89.2Confident0 Ų073.8 Ų73.80%034%0.343CS..Hα-helixtrans-64.4-43.9175.81710000111.1W3 I12 I13 A19 H20 L21 L49W3-V16 HydrophobicContact CD2-CG1 3.88Å; W3-V16 HydrophobicContact CE3-CG1 3.79Å; W3-V16 HydrophobicContact CH2-CG1 3.61Å; W3-V16 HydrophobicContact CZ2-CG1 3.67Å; W3-V16 HydrophobicContact CZ3-CG1 3.65Å; I12-V16 HydrophobicContact CG2-CG2 4.39Å; I12-V16 VanDerWaalsContact O-CG2 3.3Å; I12-V16 WeakPolarHBondContact O-CG2 3.4Å; I12-V16 PolarHBondContact O-N 3.33Å; I13-V16 PolarHBondContact O-N 3.15Å; V16-A19 PolarHBondContact O-N 3.11Å; V16-H20 PolarHBondContact O-N 3.05Å; V16-L21 HydrophobicContact CG1-CB 3.9Å; V16-L21 HydrophobicContact CG1-CD1 4.08Å; V16-L21 PolarHBondContact O-N 2.97Å; V16-L49 HydrophobicContact CG2-CD1 3.74Å; V16-L49 HydrophobicContact CG2-CD2 3.5Å; V16-L49 VanDerWaalsContact CG2-CD2 3.5Å; V16-L49 HydrophobicContact CG2-CG 4.27Å
17Q89.8Confident89.9Confident101 Ų10173.2 Ų73.247%0.47234%0.34SS..Hα-helixtrans-62.9-42.1176.2-71.7175.1-6.300111.9I13 A19 H20I13-Q17 WeakPolarHBondContact O-CG 3.36Å; I13-Q17 PolarHBondContact O-N 3.38Å; Q17-A19 VanDerWaalsContact C-N 3.3Å; Q17-A19 PolarHBondContact O-N 2.92Å; Q17-H20 PolarHBondContact O-N 3.27Å; Q17-H20 VanDerWaalsContact O-N 3.13Å
18R92.3Very high90.2Very high168 Ų16867.2 Ų67.263%0.63431%0.313SS*.Hα-helixtrans-64-33.3173.8-77-173.9-58.7115.41.9113S14 A15 H20S14-R18 WeakPolarHBondContact O-CB 3.42Å; S14-R18 VanDerWaalsContact O-CG 3.31Å; S14-R18 WeakPolarHBondContact O-CG 3.25Å; S14-R18 PolarHBondContact O-N 3.3Å; A15-R18 PolarHBondContact O-N 3.32Å; R18-H20 PolarHBondContact O-N 3.38Å
19A91.1Very high90.3Very high19 Ų1972 Ų7216%0.15734%0.343CS..THydrogen-bonded Turntrans-781.3175.900000113.4A15 V16 Q17 L21 T39A15-A19 WeakPolarHBondContact O-CB 3.3Å; A15-A19 PolarHBondContact O-N 3.36Å; V16-A19 PolarHBondContact O-N 3.11Å; Q17-A19 VanDerWaalsContact C-N 3.3Å; Q17-A19 PolarHBondContact O-N 2.92Å; A19-L21 HydrophobicContact CB-CD1 4.3Å; A19-L21 HydrophobicContact CB-CG 4.25Å; A19-L21 PolarHBondContact O-N 3.25Å; A19-L21 VanDerWaalsContact O-N 3.16Å; A19-T39 HydrophobicContact CB-CG2 3.88Å
20H90Very high90.3Very high154 Ų15470.7 Ų70.771%0.71334%0.338SS*.THydrogen-bonded Turntrans5627.8179.5-61.1-65000115.1V16 Q17 R18 K22V16-H20 PolarHBondContact O-N 3.05Å; Q17-H20 PolarHBondContact O-N 3.27Å; Q17-H20 VanDerWaalsContact O-N 3.13Å; R18-H20 PolarHBondContact O-N 3.38Å; H20-K22 PolarHBondContact O-N 2.85Å
21L88.8Confident90.4Very high7 Ų768.3 Ų68.34%0.03732%0.323CS..  trans-69.2124.9173.2-66167.4000109.2W3 V16 A19 E26 V27 F30 L35 M38 T39W3-L21 HydrophobicContact CH2-CB 4.47Å; W3-L21 HydrophobicContact CZ2-CB 4.32Å; W3-L21 WeakPolarHBondContact CZ2-O 3.31Å; V16-L21 HydrophobicContact CG1-CB 3.9Å; V16-L21 HydrophobicContact CG1-CD1 4.08Å; V16-L21 PolarHBondContact O-N 2.97Å; A19-L21 HydrophobicContact CB-CD1 4.3Å; A19-L21 HydrophobicContact CB-CG 4.25Å; A19-L21 PolarHBondContact O-N 3.25Å; A19-L21 VanDerWaalsContact O-N 3.16Å; L21-E26 HydrophobicContact CD2-CG 4.01Å; L21-V27 HydrophobicContact CD1-CG2 4.16Å; L21-F30 HydrophobicContact CD2-CD2 4.15Å; L21-F30 HydrophobicContact CD2-CE2 3.75Å; L21-L35 HydrophobicContact CD1-CD2 4.2Å; L21-M38 HydrophobicContact CD2-CE 4.25Å; L21-T39 HydrophobicContact CD1-CG2 4.26Å
22K84.8Confident90.5Very high163 Ų16363.9 Ų63.971%0.70931%0.309SS*.  trans-92-21.9-169.5-55.1179.1-177.8174.40113H20 E26H20-K22 PolarHBondContact O-N 2.85Å; K22-E26 WeakPolarHBondContact CA-OE2 3.45Å; K22-E26 VanDerWaalsContact CB-OE2 3.26Å; K22-E26 WeakPolarHBondContact CB-OE2 3.36Å; K22-E26 PolarHBondContact N-OE2 3.44Å
23S87.7Confident90.6Very high28 Ų2867 Ų6720%0.19633%0.329CS..  trans-153.2160.2-178.873.70000115.1W3 R25 E26 V27W3-S23 VanDerWaalsContact CH2-C 3.48Å; W3-S23 WeakPolarHBondContact CH2-O 3.41Å; S23-R25 PolarHBondContact O-N 3.48Å; S23-R25 PolarHBondContact OG-N 3.36Å; S23-E26 PolarHBondContact N-OE2 3.46Å; S23-E26 WeakPolarHBondContact O-CB 3.35Å; S23-E26 PolarHBondContact O-N 3.33Å; S23-E26 WeakPolarHBondContact OG-CB 3.25Å; S23-E26 PolarHBondContact OG-N 2.9Å; S23-E26 VanDerWaalsContact OG-N 3.1Å; S23-V27 PolarHBondContact O-N 2.83Å
24F89.2Confident90.7Very high36 Ų3669.3 Ų69.316%0.15834%0.342CS..Hα-helixtrans-59-34172-50.9-30.7000112.4W3 L6 V27 A53 A56W3-F24 HydrophobicContact CD2-CD1 4.36Å; W3-F24 AromaticContact CD2-CE1 3.96Å; W3-F24 HydrophobicContact CD2-CE1 3.96Å; W3-F24 AromaticContact CE3-CD1 3.71Å; W3-F24 HydrophobicContact CE3-CD1 3.71Å; W3-F24 AromaticContact CE3-CE1 3.55Å; W3-F24 HydrophobicContact CE3-CE1 3.55Å; W3-F24 AromaticContact CH2-CD1 3.86Å; W3-F24 HydrophobicContact CH2-CD1 3.86Å; W3-F24 HydrophobicContact CH2-CE1 4.42Å; W3-F24 HydrophobicContact CZ2-CD1 4.49Å; W3-F24 AromaticContact CZ3-CD1 3.44Å; W3-F24 HydrophobicContact CZ3-CD1 3.44Å; W3-F24 VanDerWaalsContact CZ3-CD1 3.44Å; W3-F24 AromaticContact CZ3-CE1 3.82Å; W3-F24 HydrophobicContact CZ3-CE1 3.82Å; L6-F24 HydrophobicContact CD1-CD1 3.59Å; L6-F24 HydrophobicContact CD1-CE1 3.42Å; L6-F24 VanDerWaalsContact CD1-CE1 3.42Å; L6-F24 HydrophobicContact CD1-CG 4.41Å; L6-F24 HydrophobicContact CD1-CZ 4.11Å; L6-F24 HydrophobicContact CD2-CE1 4.23Å; L6-F24 HydrophobicContact CD2-CE2 4.35Å; L6-F24 HydrophobicContact CD2-CZ 4.12Å; L6-F24 HydrophobicContact CG-CD1 4.23Å; L6-F24 HydrophobicContact CG-CE1 3.66Å; L6-F24 HydrophobicContact CG-CZ 3.84Å; F24-V27 WeakPolarHBondContact O-CB 3.29Å; F24-A53 HydrophobicContact CB-CB 4.4Å; F24-A56 HydrophobicContact CD2-CB 3.81Å; F24-A56 HydrophobicContact CE2-CB 4.12Å; F24-A56 HydrophobicContact CG-CB 4.43Å
25R87.6Confident90.9Very high178 Ų17866.5 Ų66.567%0.67232%0.322SS*.Hα-helixtrans-68.9-38.3178.2-70.5178.8-179.2-97.91.9111.7S23 V27 L28 V29S23-R25 PolarHBondContact O-N 3.48Å; S23-R25 PolarHBondContact OG-N 3.36Å; R25-V27 VanDerWaalsContact C-N 3.3Å; R25-V27 PolarHBondContact O-N 2.76Å; R25-L28 WeakPolarHBondContact O-CB 3.31Å; R25-L28 PolarHBondContact O-N 3.49Å; R25-L28 VanDerWaalsContact O-N 3.08Å; R25-V29 PolarHBondContact O-N 2.91Å
26E88.7Confident91.1Very high57 Ų5769.3 Ų69.327%0.26634%0.335SS..Hα-helixtrans-63.2-37.6178.7-177.6174.7-16100111.7L21 K22 S23 L28 V29 F30L21-E26 HydrophobicContact CD2-CG 4.01Å; K22-E26 WeakPolarHBondContact CA-OE2 3.45Å; K22-E26 VanDerWaalsContact CB-OE2 3.26Å; K22-E26 WeakPolarHBondContact CB-OE2 3.36Å; K22-E26 PolarHBondContact N-OE2 3.44Å; S23-E26 PolarHBondContact N-OE2 3.46Å; S23-E26 WeakPolarHBondContact O-CB 3.35Å; S23-E26 PolarHBondContact O-N 3.33Å; S23-E26 WeakPolarHBondContact OG-CB 3.25Å; S23-E26 PolarHBondContact OG-N 2.9Å; S23-E26 VanDerWaalsContact OG-N 3.1Å; E26-L28 PolarHBondContact O-N 2.89Å; E26-V29 WeakPolarHBondContact O-CB 3.37Å; E26-V29 PolarHBondContact O-N 3.47Å; E26-V29 VanDerWaalsContact O-N 3.08Å; E26-F30 HydrophobicContact CG-CE2 3.89Å; E26-F30 WeakPolarHBondContact O-CD2 3.17Å
27V91.4Very high91.3Very high0 Ų077.3 Ų77.30%037%0.37CS..Hα-helixtrans-54.4-40.5171.7173.90000111.4W3 L21 S23 F24 R25 V29 F30 L35 L49 L50 A53W3-V27 HydrophobicContact CH2-CG2 3.66Å; W3-V27 HydrophobicContact CZ3-CG2 3.97Å; L21-V27 HydrophobicContact CD1-CG2 4.16Å; S23-V27 PolarHBondContact O-N 2.83Å; F24-V27 WeakPolarHBondContact O-CB 3.29Å; R25-V27 VanDerWaalsContact C-N 3.3Å; R25-V27 PolarHBondContact O-N 2.76Å; V27-V29 PolarHBondContact O-N 3.39Å; V27-F30 PolarHBondContact O-N 2.93Å; V27-L35 HydrophobicContact CG1-CD1 4.1Å; V27-L49 HydrophobicContact CG1-CD1 4.37Å; V27-L49 HydrophobicContact CG1-CD2 4.14Å; V27-L49 HydrophobicContact CG1-CG 3.86Å; V27-L49 HydrophobicContact CG2-CD1 4.47Å; V27-L50 HydrophobicContact CG1-CD2 4.09Å; V27-A53 HydrophobicContact CB-CB 4.06Å; V27-A53 HydrophobicContact CG1-CB 3.87Å
28L90.8Very high91.5Very high73 Ų7376.5 Ų76.538%0.38237%0.367SS..THydrogen-bonded Turntrans-76-8.8-177.4-58.6174.6000113.9R25 E26 L50 A53 A54 C57R25-L28 WeakPolarHBondContact O-CB 3.31Å; R25-L28 PolarHBondContact O-N 3.49Å; R25-L28 VanDerWaalsContact O-N 3.08Å; E26-L28 PolarHBondContact O-N 2.89Å; L28-L50 HydrophobicContact CD2-CD2 4.19Å; L28-A53 HydrophobicContact CD2-CB 4.16Å; L28-A53 HydrophobicContact CG-CB 4.37Å; L28-A54 HydrophobicContact CD2-CB 4Å; L28-C57 HydrophobicContact CD1-CB 3.85Å
29V90.8Very high91.5Very high117 Ų11768.6 Ų68.671%0.70934%0.337SS*.THydrogen-bonded Turntrans-80.4-29.1176.1178.40000111.2R25 E26 V27R25-V29 PolarHBondContact O-N 2.91Å; E26-V29 WeakPolarHBondContact O-CB 3.37Å; E26-V29 PolarHBondContact O-N 3.47Å; E26-V29 VanDerWaalsContact O-N 3.08Å; V27-V29 PolarHBondContact O-N 3.39Å
30F91.4Very high91.7Very high63 Ų6371 Ų7128%0.27636%0.363SS..SBendtrans-87.9147.7-176.5-65.9-75.5000112.1L21 E26 V27 D34 L35 M38L21-F30 HydrophobicContact CD2-CD2 4.15Å; L21-F30 HydrophobicContact CD2-CE2 3.75Å; E26-F30 HydrophobicContact CG-CE2 3.89Å; E26-F30 WeakPolarHBondContact O-CD2 3.17Å; V27-F30 PolarHBondContact O-N 2.93Å; F30-D34 HydrophobicContact CB-CB 4.38Å; F30-D34 HydrophobicContact CD1-CB 4.34Å; F30-L35 HydrophobicContact CB-CD1 4.35Å; F30-L35 HydrophobicContact CB-CD2 3.78Å; F30-L35 HydrophobicContact CB-CG 3.66Å; F30-L35 HydrophobicContact CD2-CD2 4.17Å; F30-L35 HydrophobicContact CG-CD2 4.25Å; F30-M38 HydrophobicContact CD1-SD 3.91Å; F30-M38 HydrophobicContact CE1-CE 4.33Å; F30-M38 HydrophobicContact CE1-SD 3.75Å; F30-M38 HydrophobicContact CE2-CE 4.35Å; F30-M38 HydrophobicContact CE2-SD 4.42Å; F30-M38 HydrophobicContact CG-SD 4.32Å; F30-M38 HydrophobicContact CZ-CE 4.04Å; F30-M38 HydrophobicContact CZ-SD 4.03Å
31S92.9Very high92Very high52 Ų5264.5 Ų64.536%0.36433%0.334SS..  trans-72.3157170.876.70000110.9P33 D34 L35S31-P33 WeakPolarHBondContact OG-CD 3.09Å; S31-D34 PolarHBondContact O-N 3.39Å; S31-D34 VanDerWaalsContact O-N 3.1Å; S31-D34 PolarHBondContact OG-N 2.93Å; S31-D34 PolarHBondContact OG-OD2 3.41Å; S31-L35 PolarHBondContact O-N 3.43Å
32E94.2Very high92.3Very high46 Ų4666.6 Ų66.622%0.21535%0.349CS..Hα-helixtrans-52.5-46.5176.3-175.9-173.611500112.1D34 L35 Q36 R43 V46 Q47 L50E32-D34 PolarHBondContact O-N 3.03Å; E32-L35 PolarHBondContact O-N 2.9Å; E32-Q36 WeakPolarHBondContact O-CG 3.43Å; E32-Q36 PolarHBondContact O-N 3.12Å; E32-R43 WeakPolarHBondContact OE1-CD 3.4Å; E32-R43 WeakPolarHBondContact OE1-CG 3.33Å; E32-R43 IonicContact OE1-CZ 3.26Å; E32-R43 IonicContact OE1-NE 3.33Å; E32-R43 PolarHBondContact OE1-NE 3.41Å; E32-R43 IonicContact OE1-NH2 3.31Å; E32-V46 HydrophobicContact CB-CG1 4.44Å; E32-V46 HydrophobicContact CG-CB 4.47Å; E32-V46 HydrophobicContact CG-CG1 3.85Å; E32-Q47 WeakPolarHBondContact OE2-CG 3.43Å; E32-Q47 PolarHBondContact OE2-NE2 3.22Å; E32-L50 HydrophobicContact CB-CD1 4.26Å
33P95Very high92.8Very high67 Ų6766 Ų6644%0.43534%0.343SS..Hα-helixtrans-61.1-37.5175.3-24.133.5000114.8S31 Q36 K37S31-P33 WeakPolarHBondContact OG-CD 3.09Å; P33-Q36 PolarHBondContact O-N 3.03Å; P33-K37 WeakPolarHBondContact O-CG 3.41Å; P33-K37 PolarHBondContact O-N 2.61Å
34D94.4Very high93.2Very high66 Ų6668.6 Ų68.635%0.35336%0.358SS..Hα-helixtrans-69.9-41.7-179.4-63-35.7000110.7F30 S31 E32 Q36 K37 M38F30-D34 HydrophobicContact CB-CB 4.38Å; F30-D34 HydrophobicContact CD1-CB 4.34Å; S31-D34 PolarHBondContact O-N 3.39Å; S31-D34 VanDerWaalsContact O-N 3.1Å; S31-D34 PolarHBondContact OG-N 2.93Å; S31-D34 PolarHBondContact OG-OD2 3.41Å; E32-D34 PolarHBondContact O-N 3.03Å; D34-Q36 VanDerWaalsContact C-N 3.31Å; D34-Q36 PolarHBondContact O-N 3.29Å; D34-K37 PolarHBondContact O-N 3.3Å; D34-M38 WeakPolarHBondContact O-CB 3.38Å; D34-M38 VanDerWaalsContact O-CG 3.28Å; D34-M38 WeakPolarHBondContact O-CG 3.31Å; D34-M38 PolarHBondContact O-N 2.85Å
35L95.1Very high93.5Very high0 Ų067.2 Ų67.20%035%0.353CS..Hα-helixtrans-61.2-40.6173.4-72.9173.3000111.7L21 V27 F30 S31 E32 K37 M38 T39 V46 L50L21-L35 HydrophobicContact CD1-CD2 4.2Å; V27-L35 HydrophobicContact CG1-CD1 4.1Å; F30-L35 HydrophobicContact CB-CD1 4.35Å; F30-L35 HydrophobicContact CB-CD2 3.78Å; F30-L35 HydrophobicContact CB-CG 3.66Å; F30-L35 HydrophobicContact CD2-CD2 4.17Å; F30-L35 HydrophobicContact CG-CD2 4.25Å; S31-L35 PolarHBondContact O-N 3.43Å; E32-L35 PolarHBondContact O-N 2.9Å; L35-K37 PolarHBondContact O-N 2.85Å; L35-M38 PolarHBondContact O-N 3.36Å; L35-T39 WeakPolarHBondContact O-CB 3.23Å; L35-T39 WeakPolarHBondContact O-CG2 3.38Å; L35-T39 PolarHBondContact O-N 2.96Å; L35-T39 PolarHBondContact O-OG1 3.38Å; L35-V46 HydrophobicContact CB-CG1 3.63Å; L35-V46 HydrophobicContact CB-CG2 4.34Å; L35-V46 HydrophobicContact CD1-CG1 3.89Å; L35-V46 HydrophobicContact CG-CG1 4.43Å; L35-L50 HydrophobicContact CD1-CD1 4.2Å; L35-L50 HydrophobicContact CD1-CD2 3.66Å; L35-L50 HydrophobicContact CD1-CG 3.85Å
36Q95.6Very high93.9Very high60 Ų6058.7 Ų58.728%0.2832%0.321SS..Hα-helixtrans-60.2-45.2174.7-71-176.7-73.800111.6E32 P33 D34 G40 R43 V46E32-Q36 WeakPolarHBondContact O-CG 3.43Å; E32-Q36 PolarHBondContact O-N 3.12Å; P33-Q36 PolarHBondContact O-N 3.03Å; D34-Q36 VanDerWaalsContact C-N 3.31Å; D34-Q36 PolarHBondContact O-N 3.29Å; Q36-G40 VanDerWaalsContact O-CA 3.24Å; Q36-G40 WeakPolarHBondContact O-CA 3.5Å; Q36-G40 PolarHBondContact O-N 3Å; Q36-R43 VanDerWaalsContact NE2-N 3.2Å; Q36-V46 HydrophobicContact CB-CG2 4.44Å; Q36-V46 HydrophobicContact CG-CB 4.23Å; Q36-V46 HydrophobicContact CG-CG2 3.6Å
37K95.1Very high94.2Very high169 Ų16960.2 Ų60.274%0.73533%0.328SS*.Hα-helixtrans-64.5-42.8177.6-71172.9-174.9171.40112.4P33 D34 L35P33-K37 WeakPolarHBondContact O-CG 3.41Å; P33-K37 PolarHBondContact O-N 2.61Å; D34-K37 PolarHBondContact O-N 3.3Å; L35-K37 PolarHBondContact O-N 2.85Å
38M93.8Very high94.4Very high83 Ų8363 Ų6341%0.40934%0.341SS..Hα-helixtrans-72.9-39.4-177.2-71.1178.369.100113.1L21 F30 D34 L35L21-M38 HydrophobicContact CD2-CE 4.25Å; F30-M38 HydrophobicContact CD1-SD 3.91Å; F30-M38 HydrophobicContact CE1-CE 4.33Å; F30-M38 HydrophobicContact CE1-SD 3.75Å; F30-M38 HydrophobicContact CE2-CE 4.35Å; F30-M38 HydrophobicContact CE2-SD 4.42Å; F30-M38 HydrophobicContact CG-SD 4.32Å; F30-M38 HydrophobicContact CZ-CE 4.04Å; F30-M38 HydrophobicContact CZ-SD 4.03Å; D34-M38 WeakPolarHBondContact O-CB 3.38Å; D34-M38 VanDerWaalsContact O-CG 3.28Å; D34-M38 WeakPolarHBondContact O-CG 3.31Å; D34-M38 PolarHBondContact O-N 2.85Å; L35-M38 PolarHBondContact O-N 3.36Å
39T94.2Very high94.6Very high3 Ų359.5 Ų59.52%0.01832%0.322CS..Hα-helixtrans-98-19.2-173.165.10000113.2A19 L21 L35 L41A19-T39 HydrophobicContact CB-CG2 3.88Å; L21-T39 HydrophobicContact CD1-CG2 4.26Å; L35-T39 WeakPolarHBondContact O-CB 3.23Å; L35-T39 WeakPolarHBondContact O-CG2 3.38Å; L35-T39 PolarHBondContact O-N 2.96Å; L35-T39 PolarHBondContact O-OG1 3.38Å; T39-L41 HydrophobicContact CG2-CD1 4.46Å; T39-L41 PolarHBondContact O-N 3.21Å; T39-L41 WeakPolarHBondContact OG1-CB 3.41Å; T39-L41 WeakPolarHBondContact OG1-CD1 3.5Å; T39-L41 VanDerWaalsContact OG1-CG 3.31Å; T39-L41 WeakPolarHBondContact OG1-CG 3.42Å; T39-L41 PolarHBondContact OG1-N 3.29Å
40G94.4Very high94.7Very high68 Ų6855.8 Ų55.870%0.70130%0.298SS*.  trans68.813.5-171.300000113.6Q36Q36-G40 VanDerWaalsContact O-CA 3.24Å; Q36-G40 WeakPolarHBondContact O-CA 3.5Å; Q36-G40 PolarHBondContact O-N 3Å
41L95.9Very high94.8Very high19 Ų1959.4 Ų59.410%0.09932%0.316CS..  trans-77.6152-178.5-70.5174.7000112.1I12 A15 T39 D45 V46 L49I12-L41 HydrophobicContact CB-CD1 4.47Å; I12-L41 HydrophobicContact CG1-CD2 4.4Å; I12-L41 HydrophobicContact CG2-CD1 3.99Å; A15-L41 HydrophobicContact CB-CD1 3.98Å; A15-L41 HydrophobicContact CB-CD2 3.63Å; A15-L41 HydrophobicContact CB-CG 3.72Å; T39-L41 HydrophobicContact CG2-CD1 4.46Å; T39-L41 PolarHBondContact O-N 3.21Å; T39-L41 WeakPolarHBondContact OG1-CB 3.41Å; T39-L41 WeakPolarHBondContact OG1-CD1 3.5Å; T39-L41 VanDerWaalsContact OG1-CG 3.31Å; T39-L41 WeakPolarHBondContact OG1-CG 3.42Å; T39-L41 PolarHBondContact OG1-N 3.29Å; L41-D45 HydrophobicContact CB-CB 4Å; L41-D45 HydrophobicContact CD1-CB 4.42Å; L41-D45 HydrophobicContact CD2-CB 4.12Å; L41-D45 HydrophobicContact CG-CB 4.41Å; L41-V46 HydrophobicContact CB-CG2 3.67Å; L41-V46 HydrophobicContact CD1-CG2 4.49Å; L41-L49 HydrophobicContact CD1-CD2 4.46Å
42S96.1Very high94.7Very high51 Ų5157.8 Ų57.836%0.35731%0.306SS..  trans-66.7156.5170.974.70000110.9P44 D45 V46S42-P44 WeakPolarHBondContact OG-CD 3.31Å; S42-P44 WeakPolarHBondContact OG-CG 3.32Å; S42-D45 WeakPolarHBondContact O-CB 3.41Å; S42-D45 PolarHBondContact O-N 3.4Å; S42-D45 VanDerWaalsContact OG-CG 3.28Å; S42-D45 PolarHBondContact OG-OD2 3.32Å; S42-V46 PolarHBondContact O-N 3.11Å
43R95.4Very high94.6Very high151 Ų15155.6 Ų55.657%0.5730%0.296SS*.Hα-helixtrans-48.9-49.5176.7-163.8-177.6-177.6-173.9-0.5113.7E32 Q36 D45 V46 Q47E32-R43 WeakPolarHBondContact OE1-CD 3.4Å; E32-R43 WeakPolarHBondContact OE1-CG 3.33Å; E32-R43 IonicContact OE1-CZ 3.26Å; E32-R43 IonicContact OE1-NE 3.33Å; E32-R43 PolarHBondContact OE1-NE 3.41Å; E32-R43 IonicContact OE1-NH2 3.31Å; Q36-R43 VanDerWaalsContact NE2-N 3.2Å; R43-D45 VanDerWaalsContact C-N 3.32Å; R43-D45 PolarHBondContact O-N 3.45Å; R43-V46 PolarHBondContact O-N 3.44Å; R43-Q47 WeakPolarHBondContact O-CG 3.43Å; R43-Q47 PolarHBondContact O-N 3.14Å
44P96Very high94.3Very high81 Ų8154.4 Ų54.453%0.52629%0.291SS..Hα-helixtrans-66-32.9179.124.3-33.8000113.2S42 Q47 E48S42-P44 WeakPolarHBondContact OG-CD 3.31Å; S42-P44 WeakPolarHBondContact OG-CG 3.32Å; P44-Q47 PolarHBondContact O-N 2.97Å; P44-E48 WeakPolarHBondContact O-CB 3.44Å; P44-E48 PolarHBondContact O-N 3.44Å
45D95.6Very high94Very high7 Ų755.1 Ų55.14%0.03730%0.298CS..Hα-helixtrans-68.8-37.5176.2-71.3-42.4000112.1K9 R11 I12 L41 S42 R43 E48 L49K9-D45 IonicContact NZ-OD1 3.87Å; R11-D45 IonicContact CZ-OD1 3.11Å; R11-D45 VanDerWaalsContact CZ-OD1 3.26Å; R11-D45 IonicContact CZ-OD2 3.06Å; R11-D45 VanDerWaalsContact CZ-OD2 3.31Å; R11-D45 IonicContact NE-OD1 3.3Å; R11-D45 PolarHBondContact NE-OD1 3.35Å; R11-D45 VanDerWaalsContact NE-OD1 3.14Å; R11-D45 IonicContact NE-OD2 3.18Å; R11-D45 PolarHBondContact NE-OD2 3.13Å; R11-D45 VanDerWaalsContact NH2-CG 3.27Å; R11-D45 IonicContact NH2-OD1 2.65Å; R11-D45 PolarHBondContact NH2-OD1 3.14Å; R11-D45 IonicContact NH2-OD2 3.11Å; R11-D45 PolarHBondContact NH2-OD2 3.41Å; R11-D45 VanDerWaalsContact NH2-OD2 3.11Å; I12-D45 HydrophobicContact CD1-CB 4.03Å; I12-D45 HydrophobicContact CG1-CB 4.06Å; L41-D45 HydrophobicContact CB-CB 4Å; L41-D45 HydrophobicContact CD1-CB 4.42Å; L41-D45 HydrophobicContact CD2-CB 4.12Å; L41-D45 HydrophobicContact CG-CB 4.41Å; S42-D45 WeakPolarHBondContact O-CB 3.41Å; S42-D45 PolarHBondContact O-N 3.4Å; S42-D45 VanDerWaalsContact OG-CG 3.28Å; S42-D45 PolarHBondContact OG-OD2 3.32Å; R43-D45 VanDerWaalsContact C-N 3.32Å; R43-D45 PolarHBondContact O-N 3.45Å; D45-E48 PolarHBondContact O-N 2.69Å; D45-L49 WeakPolarHBondContact O-CB 3.29Å; D45-L49 PolarHBondContact O-N 3.08Å
46V95.8Very high93.7Very high0 Ų057.1 Ų57.10%032%0.315CS..Hα-helixtrans-66.8-38.7173.8174.70000111.1E32 L35 Q36 L41 S42 R43 L49 L50E32-V46 HydrophobicContact CB-CG1 4.44Å; E32-V46 HydrophobicContact CG-CB 4.47Å; E32-V46 HydrophobicContact CG-CG1 3.85Å; L35-V46 HydrophobicContact CB-CG1 3.63Å; L35-V46 HydrophobicContact CB-CG2 4.34Å; L35-V46 HydrophobicContact CD1-CG1 3.89Å; L35-V46 HydrophobicContact CG-CG1 4.43Å; Q36-V46 HydrophobicContact CB-CG2 4.44Å; Q36-V46 HydrophobicContact CG-CB 4.23Å; Q36-V46 HydrophobicContact CG-CG2 3.6Å; L41-V46 HydrophobicContact CB-CG2 3.67Å; L41-V46 HydrophobicContact CD1-CG2 4.49Å; S42-V46 PolarHBondContact O-N 3.11Å; R43-V46 PolarHBondContact O-N 3.44Å; V46-L49 WeakPolarHBondContact O-CB 3.4Å; V46-L49 PolarHBondContact O-N 3.26Å; V46-L50 HydrophobicContact CG1-CD1 4Å; V46-L50 HydrophobicContact CG1-CG 4.39Å; V46-L50 WeakPolarHBondContact O-CB 3.1Å; V46-L50 WeakPolarHBondContact O-CG 3.49Å; V46-L50 PolarHBondContact O-N 3.45Å
47Q95.1Very high93.2Very high89 Ų8955.5 Ų55.542%0.41631%0.31SS..Hα-helixtrans-64.9-40.8174.9-72.5179.2-14.100112.3E32 R43 P44 L50 H51E32-Q47 WeakPolarHBondContact OE2-CG 3.43Å; E32-Q47 PolarHBondContact OE2-NE2 3.22Å; R43-Q47 WeakPolarHBondContact O-CG 3.43Å; R43-Q47 PolarHBondContact O-N 3.14Å; P44-Q47 PolarHBondContact O-N 2.97Å; Q47-L50 PolarHBondContact O-N 3.26Å; Q47-H51 VanDerWaalsContact O-CB 3.31Å; Q47-H51 WeakPolarHBondContact O-CB 3.43Å; Q47-H51 PolarHBondContact O-N 3.43Å
48E95.1Very high92.5Very high58 Ų5856 Ų5627%0.27131%0.307SS..Hα-helixtrans-61-45.5174-167.4-177.7146.700111L8 K9 I12 P44 D45 H51 A52L8-E48 HydrophobicContact CD2-CG 3.83Å; K9-E48 WeakPolarHBondContact CE-OE2 3.45Å; K9-E48 IonicContact NZ-OE2 2.7Å; K9-E48 PolarHBondContact NZ-OE2 3.08Å; I12-E48 HydrophobicContact CD1-CB 4.18Å; I12-E48 HydrophobicContact CD1-CG 4.24Å; P44-E48 WeakPolarHBondContact O-CB 3.44Å; P44-E48 PolarHBondContact O-N 3.44Å; D45-E48 PolarHBondContact O-N 2.69Å; E48-H51 PolarHBondContact O-N 3.34Å; E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 3.04Å
49L94.3Very high91.5Very high0 Ų057.5 Ų57.50%032%0.321CS..Hα-helixtrans-59.9-49.3174.8174.161.4000112.2W3 L8 I12 V16 V27 L41 D45 V46 H51 A52 A53W3-L49 HydrophobicContact CZ3-CD1 4.5Å; L8-L49 HydrophobicContact CD1-CD1 3.76Å; I12-L49 HydrophobicContact CG2-CB 3.93Å; I12-L49 HydrophobicContact CG2-CD1 4.14Å; I12-L49 HydrophobicContact CG2-CD2 4.5Å; I12-L49 HydrophobicContact CG2-CG 4.4Å; V16-L49 HydrophobicContact CG2-CD1 3.74Å; V16-L49 HydrophobicContact CG2-CD2 3.5Å; V16-L49 VanDerWaalsContact CG2-CD2 3.5Å; V16-L49 HydrophobicContact CG2-CG 4.27Å; V27-L49 HydrophobicContact CG1-CD1 4.37Å; V27-L49 HydrophobicContact CG1-CD2 4.14Å; V27-L49 HydrophobicContact CG1-CG 3.86Å; V27-L49 HydrophobicContact CG2-CD1 4.47Å; L41-L49 HydrophobicContact CD1-CD2 4.46Å; D45-L49 WeakPolarHBondContact O-CB 3.29Å; D45-L49 PolarHBondContact O-N 3.08Å; V46-L49 WeakPolarHBondContact O-CB 3.4Å; V46-L49 PolarHBondContact O-N 3.26Å; L49-H51 VanDerWaalsContact C-N 3.33Å; L49-H51 PolarHBondContact O-N 3.4Å; L49-A52 PolarHBondContact O-N 3.39Å; L49-A53 VanDerWaalsContact O-CB 3.23Å; L49-A53 WeakPolarHBondContact O-CB 3.48Å; L49-A53 PolarHBondContact O-N 3.36Å
50L93.6Very high90.5Very high39 Ų3964 Ų6420%0.20435%0.345CS..Hα-helixtrans-60.7-42.9178.2-79.6168.5000111.3V27 L28 E32 L35 V46 Q47 A53 A54V27-L50 HydrophobicContact CG1-CD2 4.09Å; L28-L50 HydrophobicContact CD2-CD2 4.19Å; E32-L50 HydrophobicContact CB-CD1 4.26Å; L35-L50 HydrophobicContact CD1-CD1 4.2Å; L35-L50 HydrophobicContact CD1-CD2 3.66Å; L35-L50 HydrophobicContact CD1-CG 3.85Å; V46-L50 HydrophobicContact CG1-CD1 4Å; V46-L50 HydrophobicContact CG1-CG 4.39Å; V46-L50 WeakPolarHBondContact O-CB 3.1Å; V46-L50 WeakPolarHBondContact O-CG 3.49Å; V46-L50 PolarHBondContact O-N 3.45Å; Q47-L50 PolarHBondContact O-N 3.26Å; L50-A53 PolarHBondContact O-N 3.46Å; L50-A54 WeakPolarHBondContact O-CB 3.19Å; L50-A54 PolarHBondContact O-N 3.45Å
51H92.4Very high89.9Confident138 Ų13869 Ų6964%0.63935%0.35SS*.Hα-helixtrans-65.2-45178.5-173.375.4000111.9Q47 E48 L49 A54 T55Q47-H51 VanDerWaalsContact O-CB 3.31Å; Q47-H51 WeakPolarHBondContact O-CB 3.43Å; Q47-H51 PolarHBondContact O-N 3.43Å; E48-H51 PolarHBondContact O-N 3.34Å; L49-H51 VanDerWaalsContact C-N 3.33Å; L49-H51 PolarHBondContact O-N 3.4Å; H51-A54 PolarHBondContact O-N 3.22Å; H51-T55 WeakPolarHBondContact O-CB 3.41Å; H51-T55 PolarHBondContact O-N 2.98Å; H51-T55 PolarHBondContact O-OG1 3.1Å
52A92.2Very high89.4Confident19 Ų1973.5 Ų73.516%0.15738%0.38CS..Hα-helixtrans-64.4-44.9176.600000111.7L6 L8 E48 L49 T55 A56L6-A52 HydrophobicContact CB-CB 4.44Å; L6-A52 HydrophobicContact CD1-CB 4.43Å; L6-A52 HydrophobicContact CD2-CB 4.33Å; L8-A52 HydrophobicContact CD1-CB 4.11Å; L8-A52 HydrophobicContact CD2-CB 3.64Å; L8-A52 HydrophobicContact CG-CB 3.92Å; E48-A52 WeakPolarHBondContact O-CB 3.44Å; E48-A52 PolarHBondContact O-N 3.04Å; L49-A52 PolarHBondContact O-N 3.39Å; A52-T55 PolarHBondContact O-N 3.49Å; A52-A56 WeakPolarHBondContact O-CB 3.44Å; A52-A56 PolarHBondContact O-N 3.35Å
53A91.5Very high89Confident0 Ų074.3 Ų74.30%038%0.38CS..Hα-helixtrans-62.8-42.6176.500000111.8F24 V27 L28 L49 L50 A56 C57F24-A53 HydrophobicContact CB-CB 4.4Å; V27-A53 HydrophobicContact CB-CB 4.06Å; V27-A53 HydrophobicContact CG1-CB 3.87Å; L28-A53 HydrophobicContact CD2-CB 4.16Å; L28-A53 HydrophobicContact CG-CB 4.37Å; L49-A53 VanDerWaalsContact O-CB 3.23Å; L49-A53 WeakPolarHBondContact O-CB 3.48Å; L49-A53 PolarHBondContact O-N 3.36Å; L50-A53 PolarHBondContact O-N 3.46Å; A53-A56 PolarHBondContact O-N 3.2Å; A53-C57 VanDerWaalsContact O-CB 3.31Å; A53-C57 WeakPolarHBondContact O-CB 3.37Å; A53-C57 PolarHBondContact O-N 3.43Å; A53-C57 PolarHBondContact O-SG 2.95Å
54A89.6Confident88.8Confident42 Ų4270.8 Ų70.835%0.34738%0.376SS..Hα-helixtrans-63.6-42.6176.400000111.6L28 L50 H51 C57 R58L28-A54 HydrophobicContact CD2-CB 4Å; L50-A54 WeakPolarHBondContact O-CB 3.19Å; L50-A54 PolarHBondContact O-N 3.45Å; H51-A54 PolarHBondContact O-N 3.22Å; A54-C57 PolarHBondContact O-N 3.35Å; A54-R58 VanDerWaalsContact O-CB 3.29Å; A54-R58 WeakPolarHBondContact O-CB 3.32Å; A54-R58 PolarHBondContact O-N 3.39Å
55T88Confident88.5Confident80 Ų8071 Ų7149%0.49138%0.384SS..Hα-helixtrans-66.5-43178.7-56.10000111.4H51 A52 C57 R58H51-T55 WeakPolarHBondContact O-CB 3.41Å; H51-T55 PolarHBondContact O-N 2.98Å; H51-T55 PolarHBondContact O-OG1 3.1Å; A52-T55 PolarHBondContact O-N 3.49Å; T55-C57 VanDerWaalsContact C-N 3.34Å; T55-C57 PolarHBondContact O-N 3.31Å; T55-R58 PolarHBondContact O-N 2.89Å
56A87.8Confident88.3Confident42 Ų4274.6 Ų74.635%0.34740%0.402SS..Hα-helixtrans-67.8-32.6175.500000113.1L6 F24 A52 A53L6-A56 HydrophobicContact CD2-CB 3.44Å; L6-A56 VanDerWaalsContact CD2-CB 3.44Å; F24-A56 HydrophobicContact CD2-CB 3.81Å; F24-A56 HydrophobicContact CE2-CB 4.12Å; F24-A56 HydrophobicContact CG-CB 4.43Å; A52-A56 WeakPolarHBondContact O-CB 3.44Å; A52-A56 PolarHBondContact O-N 3.35Å; A53-A56 PolarHBondContact O-N 3.2Å
57C85.4Confident88Confident27 Ų2777.8 Ų77.818%0.18242%0.418CS..Hα-helixtrans-76.6-25.7173.8-68.10000112.9L28 A53 A54 T55 T59L28-C57 HydrophobicContact CD1-CB 3.85Å; A53-C57 VanDerWaalsContact O-CB 3.31Å; A53-C57 WeakPolarHBondContact O-CB 3.37Å; A53-C57 PolarHBondContact O-N 3.43Å; A53-C57 PolarHBondContact O-SG 2.95Å; A54-C57 PolarHBondContact O-N 3.35Å; T55-C57 VanDerWaalsContact C-N 3.34Å; T55-C57 PolarHBondContact O-N 3.31Å; C57-T59 VanDerWaalsContact C-N 3.3Å; C57-T59 PolarHBondContact O-N 3.39Å
58R81.3Confident87.5Confident180 Ų18075.7 Ų75.768%0.67941%0.409SS*.  trans-75.785177.1-174.4-177.6-89168.4-6.3109.4A54 T55 R60A54-R58 VanDerWaalsContact O-CB 3.29Å; A54-R58 WeakPolarHBondContact O-CB 3.32Å; A54-R58 PolarHBondContact O-N 3.39Å; T55-R58 PolarHBondContact O-N 2.89Å; R58-R60 VanDerWaalsContact CG-O 3.25Å; R58-R60 WeakPolarHBondContact CG-O 3.24Å; R58-R60 PolarHBondContact O-N 3.49Å
59T72.1Confident86.9Confident113 Ų11380.5 Ų80.569%0.69343%0.431SS*.  trans-75.5-10.1176.553.70000113.6C57C57-T59 VanDerWaalsContact C-N 3.3Å; C57-T59 PolarHBondContact O-N 3.39Å
60R73.9Confident86.5Confident140 Ų14088.6 Ų88.653%0.52846%0.462SS..SBendtrans-146146.4-171.2-56.8-178.7-170.3174.23.1112.1R58R58-R60 VanDerWaalsContact CG-O 3.25Å; R58-R60 WeakPolarHBondContact CG-O 3.24Å; R58-R60 PolarHBondContact O-N 3.49Å
61Q81.3Confident85.9Confident174 Ų17488.4 Ų88.481%0.81347%0.47SS*.  trans-75151.6169.3-69.8-170.3-15.700110.8I63Q61-I63 PolarHBondContact O-N 3.07Å
62P84.8Confident85.4Confident112 Ų11287.1 Ų87.173%0.72746%0.464SS*.  trans-56.3136.2170-20.532000110.2
63I87.9Confident84.5Confident68 Ų6887.4 Ų87.435%0.34947%0.465SS..  trans-109.6152.1172.862.1160.6000109.2Q61 L68 C73 L76Q61-I63 PolarHBondContact O-N 3.07Å; I63-L68 HydrophobicContact CD1-CB 4.16Å; I63-L68 HydrophobicContact CD1-CD1 4.11Å; I63-C73 HydrophobicContact CD1-CB 3.86Å; I63-C73 VanDerWaalsContact CD1-SG 3.51Å; I63-L76 HydrophobicContact CD1-CD1 3.38Å; I63-L76 HydrophobicContact CG1-CD1 4.16Å
64T91.1Very high83.3Confident78 Ų7897.2 Ų97.248%0.47950%0.501SS..  trans-80.6153.417464.80000110.6L66 Q67 L68T64-L66 PolarHBondContact O-N 2.87Å; T64-Q67 PolarHBondContact O-N 3.42Å; T64-Q67 VanDerWaalsContact O-N 3.13Å; T64-Q67 VanDerWaalsContact OG1-CG 3.29Å; T64-Q67 WeakPolarHBondContact OG1-CG 3.28Å; T64-Q67 PolarHBondContact OG1-N 3.2Å; T64-Q67 PolarHBondContact OG1-OE1 3.38Å; T64-L68 PolarHBondContact O-N 3.16Å
65A89.5Confident82.2Confident84 Ų84105.5 Ų105.569%0.69452%0.524SS*.Hα-helixtrans-56.7-31.7172.500000112.1L68 Q69A65-L68 PolarHBondContact O-N 3.31Å; A65-Q69 WeakPolarHBondContact O-CB 3.45Å; A65-Q69 PolarHBondContact O-N 3.29Å
66L91.9Very high81Confident83 Ų83106.1 Ų106.144%0.43552%0.523SS..Hα-helixtrans-64.9-42.2176.8-178.462.7000112.5T64 L68 Q69 R70T64-L66 PolarHBondContact O-N 2.87Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 2.95Å; L66-Q69 PolarHBondContact O-N 2.93Å; L66-R70 HydrophobicContact CD1-CG 4.35Å; L66-R70 WeakPolarHBondContact O-CB 3.26Å; L66-R70 WeakPolarHBondContact O-CG 3.35Å; L66-R70 PolarHBondContact O-N 3.33Å
67Q89.1Confident79.9Confident68 Ų68109.6 Ų109.632%0.31853%0.533SS..Hα-helixtrans-64.9-37.9177.2-71.9170.1-56.600111.6T64 G71 E72T64-Q67 PolarHBondContact O-N 3.42Å; T64-Q67 VanDerWaalsContact O-N 3.13Å; T64-Q67 VanDerWaalsContact OG1-CG 3.29Å; T64-Q67 WeakPolarHBondContact OG1-CG 3.28Å; T64-Q67 PolarHBondContact OG1-N 3.2Å; T64-Q67 PolarHBondContact OG1-OE1 3.38Å; Q67-G71 PolarHBondContact O-N 2.67Å; Q67-E72 HydrophobicContact CB-CB 4.49Å; Q67-E72 WeakPolarHBondContact CG-OE2 3.15Å; Q67-E72 WeakPolarHBondContact O-CB 3.4Å; Q67-E72 PolarHBondContact O-N 3.2Å; Q67-E72 VanDerWaalsContact O-N 3.11Å
68L84.8Confident78.9Confident44 Ų44110.4 Ų110.423%0.2354%0.539CS..Hα-helixtrans-64.2-48.9174.1-168.162.8000110.8I63 T64 A65 L66 R70 G71 C73 L76 E77I63-L68 HydrophobicContact CD1-CB 4.16Å; I63-L68 HydrophobicContact CD1-CD1 4.11Å; T64-L68 PolarHBondContact O-N 3.16Å; A65-L68 PolarHBondContact O-N 3.31Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 2.95Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 2.92Å; L68-G71 PolarHBondContact O-N 3.37Å; L68-C73 HydrophobicContact CD1-CB 3.98Å; L68-L76 HydrophobicContact CD1-CB 3.93Å; L68-E77 HydrophobicContact CD1-CB 3.98Å; L68-E77 HydrophobicContact CD1-CG 3.82Å; L68-E77 HydrophobicContact CD2-CG 4.32Å; L68-E77 HydrophobicContact CG-CG 4.2Å
69Q82.4Confident78.7Confident160 Ų160105 Ų10575%0.74854%0.539SS*.Hα-helixtrans-58.8-36.9177.8-173.8-176.524.800112.9A65 L66 G71A65-Q69 WeakPolarHBondContact O-CB 3.45Å; A65-Q69 PolarHBondContact O-N 3.29Å; L66-Q69 PolarHBondContact O-N 2.93Å; Q69-G71 PolarHBondContact O-N 3.26Å
70R86.8Confident79.4Confident169 Ų169102.4 Ų102.464%0.63852%0.52SS*.THydrogen-bonded Turntrans-75.4-2.3176.9-73.1178.6174.7-176.7-1.6113.7L66 L68 E72L66-R70 HydrophobicContact CD1-CG 4.35Å; L66-R70 WeakPolarHBondContact O-CB 3.26Å; L66-R70 WeakPolarHBondContact O-CG 3.35Å; L66-R70 PolarHBondContact O-N 3.33Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 2.92Å; R70-E72 HydrophobicContact CB-CG 3.89Å; R70-E72 WeakPolarHBondContact CB-OE1 3.22Å; R70-E72 WeakPolarHBondContact CD-OE1 3.33Å; R70-E72 IonicContact NH1-OE1 3.14Å; R70-E72 PolarHBondContact O-N 3.48Å
71G80.3Confident80.4Confident36 Ų3698.7 Ų98.737%0.37151%0.506SS..THydrogen-bonded Turntrans70.116.6-17900000113.5Q67 L68 Q69 C73 R74Q67-G71 PolarHBondContact O-N 2.67Å; L68-G71 PolarHBondContact O-N 3.37Å; Q69-G71 PolarHBondContact O-N 3.26Å; G71-C73 PolarHBondContact O-N 3.13Å; G71-R74 WeakPolarHBondContact O-CG 3.1Å
72E82.6Confident81.1Confident111 Ų11190.4 Ų90.452%0.51947%0.468SS..THydrogen-bonded Turntrans-68.7-14.9177-61.2172.8-15500111Q67 R70Q67-E72 HydrophobicContact CB-CB 4.49Å; Q67-E72 WeakPolarHBondContact CG-OE2 3.15Å; Q67-E72 WeakPolarHBondContact O-CB 3.4Å; Q67-E72 PolarHBondContact O-N 3.2Å; Q67-E72 VanDerWaalsContact O-N 3.11Å; R70-E72 HydrophobicContact CB-CG 3.89Å; R70-E72 WeakPolarHBondContact CB-OE1 3.22Å; R70-E72 WeakPolarHBondContact CD-OE1 3.33Å; R70-E72 IonicContact NH1-OE1 3.14Å; R70-E72 PolarHBondContact O-N 3.48Å
73C73.1Confident81.8Confident25 Ų2585.4 Ų85.417%0.16944%0.436CS..THydrogen-bonded Turntrans-117.654.1-177-65.90000112.9I63 L68 G71 R75 L76 E77I63-C73 HydrophobicContact CD1-CB 3.86Å; I63-C73 VanDerWaalsContact CD1-SG 3.51Å; L68-C73 HydrophobicContact CD1-CB 3.98Å; G71-C73 PolarHBondContact O-N 3.13Å; C73-R75 PolarHBondContact O-N 3.27Å; C73-L76 HydrophobicContact CB-CB 4.37Å; C73-L76 HydrophobicContact CB-CD1 4.18Å; C73-L76 PolarHBondContact O-N 3.26Å; C73-E77 PolarHBondContact O-N 2.85Å
74R66.9Low82.2Confident205 Ų20582.1 Ų82.177%0.77442%0.419SS*.THydrogen-bonded Turntrans-53.3-22-178.1-63.9-171.8-177.3-179.2-0.3115.7G71 E77 S78G71-R74 WeakPolarHBondContact O-CG 3.1Å; R74-E77 CarbonylContact O-C 3.59Å; R74-S78 VanDerWaalsContact O-CA 3.22Å; R74-S78 WeakPolarHBondContact O-CA 3.22Å; R74-S78 PolarHBondContact O-N 3.31Å
75R65.3Low82.3Confident217 Ų21778.7 Ų78.782%0.81940%0.399SS*.THydrogen-bonded Turntrans-77.1-19.8175.4-78.7-174175.1-179.5-1.8114C73C73-R75 PolarHBondContact O-N 3.27Å
76L62.8Low82.6Confident92 Ų9274.8 Ų74.848%0.48237%0.367SS..THydrogen-bonded Turntrans-97.9-35.8179.4-73.2166.6000111.2I63 L68 C73I63-L76 HydrophobicContact CD1-CD1 3.38Å; I63-L76 HydrophobicContact CG1-CD1 4.16Å; L68-L76 HydrophobicContact CD1-CB 3.93Å; C73-L76 HydrophobicContact CB-CB 4.37Å; C73-L76 HydrophobicContact CB-CD1 4.18Å; C73-L76 PolarHBondContact O-N 3.26Å
77E64.4Low82.8Confident116 Ų11675.7 Ų75.754%0.54238%0.377SS..  trans-134.194.3169.7-76.7-176.7176.300108.1L68 C73 R74 G79L68-E77 HydrophobicContact CD1-CB 3.98Å; L68-E77 HydrophobicContact CD1-CG 3.82Å; L68-E77 HydrophobicContact CD2-CG 4.32Å; L68-E77 HydrophobicContact CG-CG 4.2Å; C73-E77 PolarHBondContact O-N 2.85Å; R74-E77 CarbonylContact O-C 3.59Å; E77-G79 PolarHBondContact O-N 2.94Å
78S65.5Low83.1Confident44 Ų4473.1 Ų73.131%0.30837%0.367SS..  trans-65.5-2117364.70000111.3R74 L80 V99R74-S78 VanDerWaalsContact O-CA 3.22Å; R74-S78 WeakPolarHBondContact O-CA 3.22Å; R74-S78 PolarHBondContact O-N 3.31Å; S78-L80 PolarHBondContact O-N 2.94Å; S78-L80 PolarHBondContact OG-N 3.2Å; S78-V99 WeakPolarHBondContact OG-CG2 3.43Å
79G75.8Confident83.6Confident66 Ų6671 Ų7168%0.6836%0.356SS*.  trans63.1-2.2-171.600000113.3E77E77-G79 PolarHBondContact O-N 2.94Å
80L87.9Confident84.3Confident58 Ų5865 Ų6530%0.30433%0.329SS..  trans-69.8137.5-177.4-70.4170.2000109S78 V99 V128S78-L80 PolarHBondContact O-N 2.94Å; S78-L80 PolarHBondContact OG-N 3.2Å; L80-V99 HydrophobicContact CB-CG1 4.09Å; L80-V99 HydrophobicContact CB-CG2 3.87Å; L80-V99 WeakPolarHBondContact O-CG1 3.19Å; L80-V99 WeakPolarHBondContact O-CG2 3.31Å; L80-V99 PolarHBondContact O-N 3.47Å; L80-V128 HydrophobicContact CD2-CG1 3.82Å
81R93.8Very high84.7Confident63 Ų6363 Ų6324%0.23833%0.326CS..EExtended strand (participates in β ladder)trans-131.4142.5174.8-68-179.8176-93.3-6108.8L93 R94 G95 G96 L97 H321R81-L93 PolarHBondContact NH1-O 3.28Å; R81-L93 VanDerWaalsContact NH1-O 3.16Å; R81-R94 WeakPolarHBondContact CD-O 3.4Å; R81-R94 PolarHBondContact NE-O 3.26Å; R81-G95 VanDerWaalsContact CB-O 3.29Å; R81-G95 WeakPolarHBondContact CB-O 3.46Å; R81-G96 PolarHBondContact NH1-O 3.44Å; R81-L97 CarbonylContact C-O 3.6Å; R81-L97 WeakPolarHBondContact CA-O 3.49Å; R81-H321 PolarHBondContact NH1-NE2 3.16Å; R81-H321 VanDerWaalsContact NH1-NE2 3.15Å; R81-H321 PolarHBondContact NH2-CD2 2.97Å; R81-H321 PolarHBondContact NH2-NE2 3.33Å
82L97.6Very high85.4Confident0 Ų061.8 Ų61.80%031%0.311CS..EExtended strand (participates in β ladder)trans-85.4111.3169.4172.460.5000108.3G96 L97 L120 V124 L133 L209 P252L82-G96 CarbonylContact O-C 3.58Å; L82-G96 WeakPolarHBondContact O-CA 3.28Å; L82-L97 HydrophobicContact CB-CB 4.38Å; L82-L97 PolarHBondContact N-O 3.07Å; L82-L97 PolarHBondContact O-N 2.97Å; L82-L120 HydrophobicContact CD2-CD2 3.98Å; L82-L120 HydrophobicContact CG-CD2 4.1Å; L82-V124 VanDerWaalsContact CD1-CA 3.44Å; L82-V124 HydrophobicContact CD1-CB 3.85Å; L82-V124 HydrophobicContact CD1-CG2 4.28Å; L82-V124 HydrophobicContact CD2-CB 4.12Å; L82-V124 HydrophobicContact CD2-CG2 4.43Å; L82-L133 HydrophobicContact CB-CD1 4.38Å; L82-L209 HydrophobicContact CD2-CB 4.39Å; L82-L209 HydrophobicContact CD2-CD1 3.88Å; L82-L209 HydrophobicContact CD2-CD2 4Å; L82-L209 HydrophobicContact CD2-CG 4.31Å; L82-P252 HydrophobicContact CB-CG 4.17Å; L82-P252 HydrophobicContact CD2-CG 3.94Å
83G97.4Very high86Confident6 Ų656.6 Ų56.66%0.06229%0.287CS..  trans-58.9144.1171.900000111.1G85 S123 G131G83-G85 VanDerWaalsContact C-N 3.28Å; G83-S123 WeakPolarHBondContact O-CB 3.14Å; G83-G131 PolarHBondContact N-O 3.05Å
84T96.9Very high86.9Confident0 Ų063.3 Ų63.30%031%0.309CS..  trans-81-11.2177.563.50000112.3C86 L89 D90 L93 L116 Q119 L120T84-C86 PolarHBondContact O-N 2.84Å; T84-C86 PolarHBondContact OG1-N 3.37Å; T84-C86 PolarHBondContact OG1-O 3.37Å; T84-L89 HydrophobicContact CG2-CB 4.31Å; T84-L89 WeakPolarHBondContact OG1-CB 3.28Å; T84-D90 VanDerWaalsContact CB-OD1 3.32Å; T84-D90 WeakPolarHBondContact CB-OD1 3.43Å; T84-D90 WeakPolarHBondContact CG2-OD1 3.22Å; T84-D90 PolarHBondContact N-OD1 3.45Å; T84-D90 VanDerWaalsContact OG1-CG 3.31Å; T84-D90 PolarHBondContact OG1-OD1 2.83Å; T84-L93 HydrophobicContact CG2-CD1 3.84Å; T84-L116 HydrophobicContact CG2-CD1 4.43Å; T84-Q119 WeakPolarHBondContact O-CG 3.44Å; T84-Q119 PolarHBondContact O-NE2 3.13Å; T84-L120 HydrophobicContact CG2-CD2 4.34Å
85G94.5Very high88.1Confident5 Ų555.4 Ų55.45%0.05229%0.291CS..SBendtrans73.810.3-170.900000113.1G83G83-G85 VanDerWaalsContact C-N 3.28Å
86C96Very high89.5Confident2 Ų245 Ų451%0.01425%0.252CS..  trans-125.9106.9175.3175.20000108.7T84 V88 L89 D90 L336 G338T84-C86 PolarHBondContact O-N 2.84Å; T84-C86 PolarHBondContact OG1-N 3.37Å; T84-C86 PolarHBondContact OG1-O 3.37Å; C86-V88 PolarHBondContact O-N 3.08Å; C86-V88 VanDerWaalsContact O-N 3.08Å; C86-L89 HydrophobicContact CB-CB 4.06Å; C86-L89 HydrophobicContact CB-CD1 4.32Å; C86-L89 HydrophobicContact CB-CG 4.09Å; C86-L89 PolarHBondContact O-N 2.63Å; C86-D90 PolarHBondContact O-N 3.4Å; C86-L336 HydrophobicContact CB-CD2 4.41Å; C86-G338 PolarHBondContact SG-N 2.98Å
87P95Very high91.1Very high102 Ų10240.7 Ų40.766%0.66223%0.229SC*.Hα-helixtrans-54.8-35.1-175.4-29.835.7000114.4D90 Q91P87-D90 PolarHBondContact O-N 3.1Å; P87-Q91 WeakPolarHBondContact O-CB 3.34Å; P87-Q91 PolarHBondContact O-N 3.33Å
88V95.4Very high92.4Very high15 Ų1536 Ų369%0.09121%0.209CC..Hα-helixtrans-66.5-39.9177.7174.30000111.7C86 L92 R327 L340C86-V88 PolarHBondContact O-N 3.08Å; C86-V88 VanDerWaalsContact O-N 3.08Å; V88-L92 PolarHBondContact O-N 3.34Å; V88-L92 VanDerWaalsContact O-N 3.13Å; V88-R327 HydrophobicContact CG1-CB 3.64Å; V88-R327 HydrophobicContact CG1-CG 3.69Å; V88-L340 HydrophobicContact CG2-CD2 3.74Å; V88-L340 HydrophobicContact CG2-CG 4.17Å
89L96.1Very high93.6Very high0 Ų034.6 Ų34.60%020%0.199CC..Hα-helixtrans-75.7-36.2175.6-67.2-166.6000111.8T84 C86 Q91 L92 L93 L116 L314 R327 V329 L336T84-L89 HydrophobicContact CG2-CB 4.31Å; T84-L89 WeakPolarHBondContact OG1-CB 3.28Å; C86-L89 HydrophobicContact CB-CB 4.06Å; C86-L89 HydrophobicContact CB-CD1 4.32Å; C86-L89 HydrophobicContact CB-CG 4.09Å; C86-L89 PolarHBondContact O-N 2.63Å; L89-Q91 VanDerWaalsContact C-N 3.27Å; L89-Q91 PolarHBondContact O-N 3.01Å; L89-L92 HydrophobicContact CD2-CD2 4.27Å; L89-L92 WeakPolarHBondContact O-CB 3.41Å; L89-L92 PolarHBondContact O-N 2.93Å; L89-L92 VanDerWaalsContact O-N 3.14Å; L89-L93 WeakPolarHBondContact O-CB 3.2Å; L89-L93 VanDerWaalsContact O-CG 3.29Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 3.44Å; L89-L116 HydrophobicContact CD1-CD1 4.26Å; L89-L116 HydrophobicContact CD1-CD2 4.4Å; L89-L314 HydrophobicContact CD1-CD2 3.81Å; L89-L314 HydrophobicContact CD2-CB 4.11Å; L89-L314 HydrophobicContact CD2-CD2 3.45Å; L89-L314 VanDerWaalsContact CD2-CD2 3.45Å; L89-L314 HydrophobicContact CD2-CG 4.4Å; L89-L314 HydrophobicContact CG-CD2 4.19Å; L89-R327 HydrophobicContact CD2-CB 4.39Å; L89-V329 HydrophobicContact CD1-CG1 4.35Å; L89-V329 HydrophobicContact CD2-CG1 3.53Å; L89-V329 HydrophobicContact CG-CG1 3.95Å; L89-L336 HydrophobicContact CD1-CD2 3.49Å; L89-L336 VanDerWaalsContact CD1-CD2 3.49Å; L89-L336 HydrophobicContact CG-CD2 4.22Å
90D96Very high94.1Very high34 Ų3432.2 Ų32.218%0.18217%0.174CC..Hα-helixtrans-64.1-37.1175.3-66.1-25.2000110.7T84 C86 P87 L93 R94 G95T84-D90 VanDerWaalsContact CB-OD1 3.32Å; T84-D90 WeakPolarHBondContact CB-OD1 3.43Å; T84-D90 WeakPolarHBondContact CG2-OD1 3.22Å; T84-D90 PolarHBondContact N-OD1 3.45Å; T84-D90 VanDerWaalsContact OG1-CG 3.31Å; T84-D90 PolarHBondContact OG1-OD1 2.83Å; C86-D90 PolarHBondContact O-N 3.4Å; P87-D90 PolarHBondContact O-N 3.1Å; D90-L93 CarbonylContact O-C 3.52Å; D90-L93 PolarHBondContact O-N 3.02Å; D90-R94 CarbonylContact O-C 3.53Å; D90-R94 WeakPolarHBondContact O-CA 3.43Å; D90-R94 PolarHBondContact O-N 3.3Å; D90-G95 PolarHBondContact O-N 3.34Å
91Q95.2Very high94.2Very high125 Ų12529.5 Ų29.558%0.58416%0.16SC*.Hα-helixtrans-63.6-44.8170.7-168.9-173.626.800111.9P87 L89 L93 R94P87-Q91 WeakPolarHBondContact O-CB 3.34Å; P87-Q91 PolarHBondContact O-N 3.33Å; L89-Q91 VanDerWaalsContact C-N 3.27Å; L89-Q91 PolarHBondContact O-N 3.01Å; Q91-L93 PolarHBondContact O-N 2.87Å; Q91-R94 PolarHBondContact O-N 2.87Å
92L95.4Very high94.2Very high11 Ų1126.6 Ų26.66%0.05815%0.149CC..Hα-helixtrans-58-38.8176.2178.864.3000111.7V88 L89 L314 V316 S325 R327V88-L92 PolarHBondContact O-N 3.34Å; V88-L92 VanDerWaalsContact O-N 3.13Å; L89-L92 HydrophobicContact CD2-CD2 4.27Å; L89-L92 WeakPolarHBondContact O-CB 3.41Å; L89-L92 PolarHBondContact O-N 2.93Å; L89-L92 VanDerWaalsContact O-N 3.14Å; L92-L314 HydrophobicContact CD2-CB 4.49Å; L92-L314 HydrophobicContact CD2-CD2 4.19Å; L92-L314 HydrophobicContact CD2-CG 4.36Å; L92-V316 HydrophobicContact CD1-CG2 3.91Å; L92-V316 HydrophobicContact CD2-CG2 4.26Å; L92-V316 HydrophobicContact CG-CG2 3.91Å; L92-S325 WeakPolarHBondContact CD1-OG 3.18Å; L92-R327 HydrophobicContact CB-CG 3.93Å; L92-R327 HydrophobicContact CD1-CG 4.21Å; L92-R327 HydrophobicContact CD2-CB 4.22Å; L92-R327 HydrophobicContact CD2-CG 4.17Å; L92-R327 HydrophobicContact CG-CG 4.33Å
93L95Very high94.1Very high2 Ų226.6 Ų26.61%0.0115%0.149CC..THydrogen-bonded Turntrans-97.59-174.8-59.2173.4000113.6R81 T84 L89 D90 Q91 G95 L97 L293 V316 L322R81-L93 PolarHBondContact NH1-O 3.28Å; R81-L93 VanDerWaalsContact NH1-O 3.16Å; T84-L93 HydrophobicContact CG2-CD1 3.84Å; L89-L93 WeakPolarHBondContact O-CB 3.2Å; L89-L93 VanDerWaalsContact O-CG 3.29Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 3.44Å; D90-L93 CarbonylContact O-C 3.52Å; D90-L93 PolarHBondContact O-N 3.02Å; Q91-L93 PolarHBondContact O-N 2.87Å; L93-G95 PolarHBondContact O-N 3.33Å; L93-L97 HydrophobicContact CD1-CD2 4.01Å; L93-L293 HydrophobicContact CD1-CD1 4.35Å; L93-L293 HydrophobicContact CD2-CD1 4.07Å; L93-L293 HydrophobicContact CD2-CD2 3.77Å; L93-V316 HydrophobicContact CD2-CG2 4.34Å; L93-L322 HydrophobicContact CD2-CD1 3.88Å
94R92.8Very high93.9Very high166 Ų16626.3 Ų26.363%0.62615%0.146SC*.THydrogen-bonded Turntrans51.949-177.3-62.6-176.3177.9-178.7-6.8113.5R81 D90 Q91 H321 L322R81-R94 WeakPolarHBondContact CD-O 3.4Å; R81-R94 PolarHBondContact NE-O 3.26Å; D90-R94 CarbonylContact O-C 3.53Å; D90-R94 WeakPolarHBondContact O-CA 3.43Å; D90-R94 PolarHBondContact O-N 3.3Å; Q91-R94 PolarHBondContact O-N 2.87Å; R94-H321 PolarHBondContact NH1-O 3.04Å; R94-L322 HydrophobicContact CB-CD2 4Å; R94-L322 HydrophobicContact CG-CD2 3.62Å
95G91.5Very high93.8Very high39 Ų3926.3 Ų26.340%0.40215%0.146SC..SBendtrans106.13.417800000114.8R81 D90 L93R81-G95 VanDerWaalsContact CB-O 3.29Å; R81-G95 WeakPolarHBondContact CB-O 3.46Å; D90-G95 PolarHBondContact O-N 3.34Å; L93-G95 PolarHBondContact O-N 3.33Å
96G94.9Very high93.6Very high0 Ų026.4 Ų26.40%015%0.146CC..SBendtrans109.5-160.1175.800000114R81 L82R81-G96 PolarHBondContact NH1-O 3.44Å; L82-G96 CarbonylContact O-C 3.58Å; L82-G96 WeakPolarHBondContact O-CA 3.28Å
97L95.2Very high93.3Very high1 Ų126.3 Ų26.31%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-73.1129.4-173.8-58-170.6000111.5R81 L82 L93 V99 T103 L120 F254R81-L97 CarbonylContact C-O 3.6Å; R81-L97 WeakPolarHBondContact CA-O 3.49Å; L82-L97 HydrophobicContact CB-CB 4.38Å; L82-L97 PolarHBondContact N-O 3.07Å; L82-L97 PolarHBondContact O-N 2.97Å; L93-L97 HydrophobicContact CD1-CD2 4.01Å; L97-V99 PolarHBondContact O-N 3.03Å; L97-T103 HydrophobicContact CD2-CG2 3.77Å; L97-L120 HydrophobicContact CD1-CD1 3.6Å; L97-L120 HydrophobicContact CD1-CD2 3.87Å; L97-L120 HydrophobicContact CD1-CG 4.4Å; L97-L120 HydrophobicContact CG-CD2 4.29Å; L97-F254 HydrophobicContact CD1-CB 4.49Å; L97-F254 HydrophobicContact CD1-CD2 3.67Å; L97-F254 HydrophobicContact CD1-CE2 4.12Å; L97-F254 HydrophobicContact CD1-CG 4.22Å
98P92.3Very high93Very high16 Ų1624.4 Ų24.410%0.10413%0.128CC..EExtended strand (participates in β ladder)trans-64134.1175.728.2-33.8000110.4V291P98-V291 HydrophobicContact CG-CG2 3.98Å
99V91.3Very high92.5Very high16 Ų1628.4 Ų28.410%0.09716%0.157CC..THydrogen-bonded Turntrans-75.4151.2166.7-50.90000109.7S78 L80 L97 G101 L133 T250 P252S78-V99 WeakPolarHBondContact OG-CG2 3.43Å; L80-V99 HydrophobicContact CB-CG1 4.09Å; L80-V99 HydrophobicContact CB-CG2 3.87Å; L80-V99 WeakPolarHBondContact O-CG1 3.19Å; L80-V99 WeakPolarHBondContact O-CG2 3.31Å; L80-V99 PolarHBondContact O-N 3.47Å; L97-V99 PolarHBondContact O-N 3.03Å; V99-G101 PolarHBondContact O-N 3.32Å; V99-L133 HydrophobicContact CG1-CD1 3.96Å; V99-L133 HydrophobicContact CG1-CD2 4.19Å; V99-T250 HydrophobicContact CB-CG2 4.26Å; V99-T250 HydrophobicContact CG2-CG2 3.49Å; V99-T250 VanDerWaalsContact CG2-CG2 3.49Å; V99-P252 HydrophobicContact CG1-CG 4.47Å
100G86.6Confident92.1Very high16 Ų1630.4 Ų30.417%0.16518%0.178CC..THydrogen-bonded Turntrans69.123.3-176.600000113.6S246 H247 T251G100-S246 WeakPolarHBondContact CA-O 3.39Å; G100-S246 VanDerWaalsContact CA-OG 3.26Å; G100-S246 WeakPolarHBondContact CA-OG 3.46Å; G100-H247 PolarHBondContact O-CE1 2.98Å; G100-H247 VanDerWaalsContact O-CE1 3.28Å; G100-T251 PolarHBondContact N-O 3.01Å
101G89.7Confident92Very high1 Ų128.8 Ų28.81%0.0117%0.169CC..SBendtrans-140.6165171.300000112.2V99 S246 V253 T290V99-G101 PolarHBondContact O-N 3.32Å; G101-S246 PolarHBondContact N-OG 3.15Å; G101-S246 PolarHBondContact O-OG 3.21Å; G101-V253 PolarHBondContact O-N 2.95Å; G101-T290 WeakPolarHBondContact CA-OG1 3.13Å
102V93.5Very high91.8Very high2 Ų223.2 Ų23.21%0.01215%0.145CC..EExtended strand (participates in β ladder)trans-103.5121.3177.9-178.90000108.5V242 Y255 V289 T290 V291V102-V242 HydrophobicContact CG2-CG1 3.85Å; V102-Y255 HydrophobicContact CG1-CD2 3.42Å; V102-Y255 VanDerWaalsContact CG1-CD2 3.42Å; V102-Y255 HydrophobicContact CG1-CE2 3.53Å; V102-V289 HydrophobicContact CG1-CG1 4.27Å; V102-T290 PolarHBondContact N-OG1 2.84Å; V102-T290 VanDerWaalsContact N-OG1 3.07Å; V102-T290 WeakPolarHBondContact O-CA 3.42Å; V102-T290 WeakPolarHBondContact O-CB 3.32Å; V102-T290 PolarHBondContact O-N 2.83Å; V102-V291 PolarHBondContact O-N 2.75Å; V102-V291 VanDerWaalsContact O-N 3.12Å
103T94.9Very high91.8Very high0 Ų023.1 Ų23.10%014%0.144CC..EExtended strand (participates in β ladder)trans-107.8126.1174.3-59.20000109.7L97 V253 F254 Y255 V291 L293L97-T103 HydrophobicContact CD2-CG2 3.77Å; T103-V253 PolarHBondContact N-O 3.13Å; T103-F254 HydrophobicContact CG2-CD2 3.78Å; T103-F254 HydrophobicContact CG2-CE2 3.73Å; T103-F254 CarbonylContact O-C 3.6Å; T103-F254 WeakPolarHBondContact O-CA 3.33Å; T103-Y255 PolarHBondContact O-N 3.37Å; T103-V291 CarbonylContact C-O 3.58Å; T103-V291 WeakPolarHBondContact CA-O 3.33Å; T103-V291 HydrophobicContact CG2-CB 4.06Å; T103-V291 HydrophobicContact CG2-CG1 4.04Å; T103-L293 HydrophobicContact CG2-CD1 4.12Å; T103-L293 HydrophobicContact CG2-CG 4.37Å
104E93.8Very high91.8Very high0 Ų025.1 Ų25.10%016%0.157CC..EExtended strand (participates in β ladder)trans-102.3132.6172.4-179.8-172.4174.600110.3F257 W285 V289 V291 R292 L293E104-F257 HydrophobicContact CG-CB 4.12Å; E104-W285 PolarHBondContact OE2-NE1 3.34Å; E104-V289 HydrophobicContact CB-CB 4.4Å; E104-V289 HydrophobicContact CB-CG1 3.93Å; E104-V291 PolarHBondContact N-O 3.25Å; E104-R292 IonicContact OE1-NE 2.78Å; E104-R292 IonicContact OE1-NH2 2.75Å; E104-R292 IonicContact OE2-CZ 2.96Å; E104-R292 VanDerWaalsContact OE2-CZ 3.25Å; E104-R292 IonicContact OE2-NE 2.72Å; E104-R292 PolarHBondContact OE2-NE 2.88Å; E104-R292 IonicContact OE2-NH2 3.73Å; E104-R292 PolarHBondContact OE2-NH2 3.39Å; E104-L293 PolarHBondContact O-N 3.06Å
105L94.1Very high92Very high0 Ų019 Ų190%014%0.135CC..EExtended strand (participates in β ladder)trans-112.8104.4167.1-179.465.2000110.3K113 L116 F254 Y255 L256 F257 L293 M295 L314L105-K113 HydrophobicContact CD2-CB 3.93Å; L105-K113 HydrophobicContact CD2-CG 3.9Å; L105-K113 HydrophobicContact CG-CD 4.47Å; L105-K113 HydrophobicContact CG-CG 4.05Å; L105-K113 WeakPolarHBondContact O-CD 3.38Å; L105-L116 HydrophobicContact CD2-CB 4.31Å; L105-L116 HydrophobicContact CD2-CD2 4.08Å; L105-F254 HydrophobicContact CB-CE1 4.44Å; L105-F254 HydrophobicContact CB-CE2 3.97Å; L105-F254 HydrophobicContact CB-CZ 3.62Å; L105-F254 HydrophobicContact CD2-CE1 4.44Å; L105-F254 HydrophobicContact CD2-CZ 3.87Å; L105-F254 HydrophobicContact CG-CZ 4.34Å; L105-Y255 PolarHBondContact N-O 3.12Å; L105-L256 HydrophobicContact CB-CD2 4.04Å; L105-L256 HydrophobicContact CD2-CD2 3.99Å; L105-L256 HydrophobicContact CG-CD2 4.48Å; L105-F257 PolarHBondContact O-N 3.24Å; L105-L293 HydrophobicContact CD1-CB 3.68Å; L105-M295 HydrophobicContact CD1-CB 3.96Å; L105-M295 HydrophobicContact CD2-CE 4.12Å; L105-L314 HydrophobicContact CD1-CD1 3.43Å; L105-L314 VanDerWaalsContact CD1-CD1 3.43Å
106A91.8Very high92.2Very high6 Ų617.2 Ų17.25%0.0512%0.116CC..EExtended strand (participates in β ladder)trans-90.7152.2174.800000112F257 V259 L293 M294 M295A106-F257 WeakPolarHBondContact CA-O 3.4Å; A106-F257 HydrophobicContact CB-CB 4.41Å; A106-V259 HydrophobicContact CB-CG2 3.89Å; A106-L293 PolarHBondContact N-O 3.46Å; A106-M294 HydrophobicContact CB-SD 3.95Å; A106-M294 CarbonylContact O-C 3.57Å; A106-M294 WeakPolarHBondContact O-CA 3.42Å; A106-M295 PolarHBondContact O-N 2.82Å
107G89.9Confident92.4Very high0 Ų017.2 Ų17.20%012%0.116CC..EExtended strand (participates in β ladder)trans167.2163.7172.700000113.1K113 F257 K258 V259 M295G107-K113 PolarHBondContact O-NZ 3.43Å; G107-F257 PolarHBondContact N-O 2.97Å; G107-F257 VanDerWaalsContact N-O 3.11Å; G107-K258 WeakPolarHBondContact O-CA 3.32Å; G107-V259 PolarHBondContact O-N 2.92Å; G107-M295 VanDerWaalsContact CA-O 3.31Å; G107-M295 WeakPolarHBondContact CA-O 3.5Å
108E86.9Confident92.5Very high62 Ų6217.2 Ų17.229%0.2912%0.116SC..  trans-61.3164.7173.764.4-173.3160.100112.5A111 K113 R297E108-A111 HydrophobicContact CG-CB 3.97Å; E108-A111 WeakPolarHBondContact O-CB 3.49Å; E108-A111 PolarHBondContact O-N 3.12Å; E108-K113 PolarHBondContact O-NZ 3.28Å; E108-R297 WeakPolarHBondContact OE1-CB 3.41Å; E108-R297 PolarHBondContact OE1-N 3.11Å
109S86.4Confident92.8Very high99 Ų9916.5 Ų16.569%0.69211%0.111SC*.THydrogen-bonded Turntrans-58.9140.8172.6-168.70000110.9A111S109-A111 PolarHBondContact O-N 2.83Å
110G87.8Confident93.1Very high43 Ų4315.7 Ų15.744%0.44311%0.107SC..THydrogen-bonded Turntrans74-0.2-177.900000115.9G112G110-G112 PolarHBondContact O-N 3.36Å; G110-G112 VanDerWaalsContact O-N 3.12Å
111A92.1Very high93.7Very high0 Ų015 Ų150%010%0.099CC..SBendtrans-59.4-24178.200000113.9E108 S109 M295 R312E108-A111 HydrophobicContact CG-CB 3.97Å; E108-A111 WeakPolarHBondContact O-CB 3.49Å; E108-A111 PolarHBondContact O-N 3.12Å; S109-A111 PolarHBondContact O-N 2.83Å; A111-M295 HydrophobicContact CB-CB 4.37Å; A111-M295 HydrophobicContact CB-CG 4.16Å; A111-M295 WeakPolarHBondContact CB-O 3.33Å; A111-M295 WeakPolarHBondContact O-CG 3.4Å; A111-R312 WeakPolarHBondContact O-CD 3.26Å; A111-R312 WeakPolarHBondContact O-CG 3.25Å; A111-R312 PolarHBondContact O-NE 2.95Å
112G92.9Very high94.1Very high8 Ų814.9 Ų14.98%0.08210%0.098CC..SBendtrans112.49.3-178.800000114.8G110 T114 Q115 L116G110-G112 PolarHBondContact O-N 3.36Å; G110-G112 VanDerWaalsContact O-N 3.12Å; G112-T114 PolarHBondContact O-N 3.2Å; G112-Q115 VanDerWaalsContact O-CB 3.25Å; G112-Q115 WeakPolarHBondContact O-CB 3.13Å; G112-Q115 PolarHBondContact O-N 3.39Å; G112-L116 PolarHBondContact O-N 2.91Å
113K93.9Very high94.4Very high9 Ų914.9 Ų14.94%0.03910%0.098CC..Hα-helixtrans-53.6-54.3-178.6-61.5-171.3-63.1-75.40113.9L105 G107 E108 Q115 L116 G117 L256 F257L105-K113 HydrophobicContact CD2-CB 3.93Å; L105-K113 HydrophobicContact CD2-CG 3.9Å; L105-K113 HydrophobicContact CG-CD 4.47Å; L105-K113 HydrophobicContact CG-CG 4.05Å; L105-K113 WeakPolarHBondContact O-CD 3.38Å; G107-K113 PolarHBondContact O-NZ 3.43Å; E108-K113 PolarHBondContact O-NZ 3.28Å; K113-Q115 PolarHBondContact O-N 3.22Å; K113-L116 PolarHBondContact O-N 3.35Å; K113-L116 VanDerWaalsContact O-N 3.09Å; K113-G117 PolarHBondContact O-N 3.11Å; K113-L256 HydrophobicContact CB-CD1 4.39Å; K113-L256 HydrophobicContact CB-CD2 4.03Å; K113-F257 VanDerWaalsContact CD-O 3.25Å; K113-F257 WeakPolarHBondContact CD-O 3.08Å; K113-F257 VanDerWaalsContact CE-O 3.29Å; K113-F257 WeakPolarHBondContact CE-O 3.32Å
114T95Very high94.5Very high44 Ų4414.9 Ų14.927%0.2710%0.098SC..Hα-helixtrans-59.4-30.2177.3-50.50000112G112 G117 L118 P147 D213G112-T114 PolarHBondContact O-N 3.2Å; T114-G117 PolarHBondContact O-N 3.49Å; T114-L118 HydrophobicContact CG2-CD1 4.33Å; T114-L118 HydrophobicContact CG2-CG 4.37Å; T114-L118 VanDerWaalsContact O-CG 3.27Å; T114-L118 WeakPolarHBondContact O-CG 3.42Å; T114-L118 PolarHBondContact O-N 3.37Å; T114-P147 HydrophobicContact CG2-CG 3.86Å; T114-D213 PolarHBondContact OG1-OD2 3.27Å
115Q96.8Very high94.8Very high38 Ų3815.3 Ų15.318%0.17810%0.1CC..Hα-helixtrans-65.2-44.2176.3-57.3-67.5-44.100111.4G112 K113 Q119 R150 V331G112-Q115 VanDerWaalsContact O-CB 3.25Å; G112-Q115 WeakPolarHBondContact O-CB 3.13Å; G112-Q115 PolarHBondContact O-N 3.39Å; K113-Q115 PolarHBondContact O-N 3.22Å; Q115-Q119 VanDerWaalsContact O-CB 3.3Å; Q115-Q119 WeakPolarHBondContact O-CB 3.26Å; Q115-Q119 PolarHBondContact O-N 3.07Å; Q115-R150 VanDerWaalsContact OE1-CZ 3.25Å; Q115-V331 HydrophobicContact CB-CG1 4.36Å; Q115-V331 HydrophobicContact CB-CG2 4.23Å; Q115-V331 HydrophobicContact CG-CG1 3.72Å; Q115-V331 HydrophobicContact CG-CG2 3.95Å
116L97.5Very high95Very high1 Ų115.3 Ų15.31%0.00510%0.1CC..Hα-helixtrans-67.2-39.5175.1-172.755.5000111.4T84 L89 L105 G112 K113 Q119 L120 F254 M295 L336T84-L116 HydrophobicContact CG2-CD1 4.43Å; L89-L116 HydrophobicContact CD1-CD1 4.26Å; L89-L116 HydrophobicContact CD1-CD2 4.4Å; L105-L116 HydrophobicContact CD2-CB 4.31Å; L105-L116 HydrophobicContact CD2-CD2 4.08Å; G112-L116 PolarHBondContact O-N 2.91Å; K113-L116 PolarHBondContact O-N 3.35Å; K113-L116 VanDerWaalsContact O-N 3.09Å; L116-Q119 PolarHBondContact O-N 3.35Å; L116-L120 HydrophobicContact CD1-CD1 4.45Å; L116-L120 HydrophobicContact CD1-CG 4.33Å; L116-L120 HydrophobicContact CG-CD1 4.08Å; L116-L120 HydrophobicContact CG-CG 4.45Å; L116-L120 WeakPolarHBondContact O-CB 3.38Å; L116-L120 VanDerWaalsContact O-CG 3.27Å; L116-L120 WeakPolarHBondContact O-CG 3.17Å; L116-L120 PolarHBondContact O-N 3.19Å; L116-F254 HydrophobicContact CD2-CZ 3.98Å; L116-F254 HydrophobicContact CG-CE1 4.42Å; L116-F254 HydrophobicContact CG-CZ 4.16Å; L116-M295 HydrophobicContact CD2-CE 4.44Å; L116-L336 HydrophobicContact CB-CD1 4.38Å
117G97.5Very high95.2Very high0 Ų016 Ų160%010%0.104CC..Hα-helixtrans-57.2-51175.200000112.9K113 T114 Q119 L120 C121K113-G117 PolarHBondContact O-N 3.11Å; T114-G117 PolarHBondContact O-N 3.49Å; G117-Q119 VanDerWaalsContact C-N 3.35Å; G117-Q119 PolarHBondContact O-N 3.27Å; G117-L120 PolarHBondContact O-N 3.2Å; G117-C121 PolarHBondContact O-N 2.76Å; G117-C121 VanDerWaalsContact O-N 3.11Å; G117-C121 PolarHBondContact O-SG 2.94Å; G117-C121 VanDerWaalsContact O-SG 3.33Å
118L98.1Very high95.5Very high0 Ų019.4 Ų19.40%013%0.125CC..Hα-helixtrans-62-41.7176.3-65.6172.9000112.2T114 L120 C121 L122 Y139 F146 P147 R150 L151 L154T114-L118 HydrophobicContact CG2-CD1 4.33Å; T114-L118 HydrophobicContact CG2-CG 4.37Å; T114-L118 VanDerWaalsContact O-CG 3.27Å; T114-L118 WeakPolarHBondContact O-CG 3.42Å; T114-L118 PolarHBondContact O-N 3.37Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 2.97Å; L118-C121 WeakPolarHBondContact O-CB 3.39Å; L118-C121 PolarHBondContact O-N 3.03Å; L118-L122 PolarHBondContact O-N 3.27Å; L118-Y139 HydrophobicContact CD2-CE2 4.36Å; L118-F146 HydrophobicContact CD2-CE1 4.43Å; L118-F146 HydrophobicContact CD2-CE2 3.58Å; L118-F146 HydrophobicContact CD2-CZ 3.46Å; L118-F146 VanDerWaalsContact CD2-CZ 3.46Å; L118-P147 HydrophobicContact CD1-CG 3.77Å; L118-P147 HydrophobicContact CD2-CG 4.01Å; L118-P147 HydrophobicContact CG-CG 4.29Å; L118-R150 HydrophobicContact CD1-CB 4.19Å; L118-R150 HydrophobicContact CD1-CG 3.81Å; L118-L151 HydrophobicContact CD2-CB 4.4Å; L118-L151 HydrophobicContact CD2-CD1 4.34Å; L118-L154 HydrophobicContact CB-CD1 3.62Å; L118-L154 HydrophobicContact CD1-CD1 4.06Å
119Q98.3Very high95.8Very high1 Ų123.4 Ų23.41%0.00514%0.144CC..Hα-helixtrans-64.3-36.5178.7-173.3166.1-49.200112.1T84 Q115 L116 G117 L122 S123 L161 L336T84-Q119 WeakPolarHBondContact O-CG 3.44Å; T84-Q119 PolarHBondContact O-NE2 3.13Å; Q115-Q119 VanDerWaalsContact O-CB 3.3Å; Q115-Q119 WeakPolarHBondContact O-CB 3.26Å; Q115-Q119 PolarHBondContact O-N 3.07Å; L116-Q119 PolarHBondContact O-N 3.35Å; G117-Q119 VanDerWaalsContact C-N 3.35Å; G117-Q119 PolarHBondContact O-N 3.27Å; Q119-L122 PolarHBondContact O-N 3.42Å; Q119-S123 WeakPolarHBondContact O-CB 3.46Å; Q119-S123 PolarHBondContact O-N 3.36Å; Q119-S123 PolarHBondContact O-OG 3.29Å; Q119-L161 HydrophobicContact CG-CD2 4.09Å; Q119-L336 PolarHBondContact NE2-O 2.85Å; Q119-L336 PolarHBondContact OE1-O 3.05Å
120L98.5Very high96.3Very high0 Ų020.6 Ų20.60%012%0.119CC..Hα-helixtrans-66.9-37.1173.6-72.2165.3000112.1L82 T84 L97 L116 G117 L118 L122 S123 V124 L209 F254L82-L120 HydrophobicContact CD2-CD2 3.98Å; L82-L120 HydrophobicContact CG-CD2 4.1Å; T84-L120 HydrophobicContact CG2-CD2 4.34Å; L97-L120 HydrophobicContact CD1-CD1 3.6Å; L97-L120 HydrophobicContact CD1-CD2 3.87Å; L97-L120 HydrophobicContact CD1-CG 4.4Å; L97-L120 HydrophobicContact CG-CD2 4.29Å; L116-L120 HydrophobicContact CD1-CD1 4.45Å; L116-L120 HydrophobicContact CD1-CG 4.33Å; L116-L120 HydrophobicContact CG-CD1 4.08Å; L116-L120 HydrophobicContact CG-CG 4.45Å; L116-L120 WeakPolarHBondContact O-CB 3.38Å; L116-L120 VanDerWaalsContact O-CG 3.27Å; L116-L120 WeakPolarHBondContact O-CG 3.17Å; L116-L120 PolarHBondContact O-N 3.19Å; G117-L120 PolarHBondContact O-N 3.2Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 2.97Å; L120-L122 PolarHBondContact O-N 3.44Å; L120-S123 PolarHBondContact O-N 3.25Å; L120-S123 VanDerWaalsContact O-N 3.15Å; L120-V124 PolarHBondContact O-N 3.14Å; L120-L209 VanDerWaalsContact C-CD2 3.49Å; L120-L209 HydrophobicContact CB-CD2 3.79Å; L120-L209 WeakPolarHBondContact O-CD2 3.3Å; L120-F254 HydrophobicContact CD1-CD1 3.59Å; L120-F254 HydrophobicContact CD1-CD2 4.13Å; L120-F254 HydrophobicContact CD1-CE1 3.55Å; L120-F254 HydrophobicContact CD1-CE2 4.14Å; L120-F254 HydrophobicContact CD1-CG 3.88Å; L120-F254 HydrophobicContact CD1-CZ 3.85Å
121C98.6Very high96.7Very high0 Ų019.9 Ų19.90%011%0.112CC..Hα-helixtrans-61.4-29.4173.9-66.90000113.6G117 L118 V124 Q125 A137 I179G117-C121 PolarHBondContact O-N 2.76Å; G117-C121 VanDerWaalsContact O-N 3.11Å; G117-C121 PolarHBondContact O-SG 2.94Å; G117-C121 VanDerWaalsContact O-SG 3.33Å; L118-C121 WeakPolarHBondContact O-CB 3.39Å; L118-C121 PolarHBondContact O-N 3.03Å; C121-V124 WeakPolarHBondContact O-CG1 3.19Å; C121-Q125 PolarHBondContact O-NE2 3.2Å; C121-Q125 VanDerWaalsContact O-NE2 3.07Å; C121-A137 HydrophobicContact CB-CB 3.81Å; C121-I179 HydrophobicContact CB-CD1 3.94Å; C121-I179 HydrophobicContact CB-CG1 4.23Å
122L98.6Very high96.9Very high0 Ų019.9 Ų19.90%011%0.113CC..Hα-helixtrans-81.6-42.7171-58.7178.9000110.9L118 Q119 L120 V124 Q125 Y126 L151 L154 I155 Q158 F175 I179L118-L122 PolarHBondContact O-N 3.27Å; Q119-L122 PolarHBondContact O-N 3.42Å; L120-L122 PolarHBondContact O-N 3.44Å; L122-V124 VanDerWaalsContact C-N 3.32Å; L122-V124 PolarHBondContact O-N 2.88Å; L122-Q125 PolarHBondContact O-N 3.46Å; L122-Y126 WeakPolarHBondContact O-CD2 3.34Å; L122-L151 HydrophobicContact CD1-CD1 4.37Å; L122-L151 HydrophobicContact CD2-CD1 3.87Å; L122-L151 HydrophobicContact CG-CD1 4.15Å; L122-L154 HydrophobicContact CD1-CB 3.65Å; L122-I155 HydrophobicContact CD1-CG1 4.17Å; L122-I155 HydrophobicContact CD2-CD1 4.21Å; L122-I155 HydrophobicContact CD2-CG1 3.6Å; L122-Q158 HydrophobicContact CD1-CG 4.37Å; L122-Q158 VanDerWaalsContact CD1-NE2 3.33Å; L122-F175 HydrophobicContact CB-CD1 4.14Å; L122-F175 HydrophobicContact CB-CE1 4.2Å; L122-F175 HydrophobicContact CD2-CB 3.69Å; L122-F175 HydrophobicContact CD2-CD1 3.53Å; L122-F175 HydrophobicContact CD2-CE1 4.36Å; L122-F175 HydrophobicContact CD2-CG 3.76Å; L122-F175 HydrophobicContact CG-CD1 4.43Å; L122-I179 HydrophobicContact CD2-CD1 4.03Å
123S98.3Very high97.1Very high2 Ų219.7 Ų19.71%0.01411%0.11CC..Hα-helixtrans-61.3-36.9-176.4-59.30000113G83 Q119 L120 Q125 Y126 G132G83-S123 WeakPolarHBondContact O-CB 3.14Å; Q119-S123 WeakPolarHBondContact O-CB 3.46Å; Q119-S123 PolarHBondContact O-N 3.36Å; Q119-S123 PolarHBondContact O-OG 3.29Å; L120-S123 PolarHBondContact O-N 3.25Å; L120-S123 VanDerWaalsContact O-N 3.15Å; S123-Q125 PolarHBondContact O-N 3.27Å; S123-Y126 WeakPolarHBondContact O-CD2 3.36Å; S123-Y126 PolarHBondContact O-N 2.89Å; S123-G132 WeakPolarHBondContact O-CA 3.31Å
124V98.4Very high97.2Very high0 Ų023 Ų230%013%0.134CC..THydrogen-bonded Turntrans-63.9-23.8-179.267.90000113.6L82 L120 C121 L122 Y126 L133 S134 A135 A137 R208 L209L82-V124 VanDerWaalsContact CD1-CA 3.44Å; L82-V124 HydrophobicContact CD1-CB 3.85Å; L82-V124 HydrophobicContact CD1-CG2 4.28Å; L82-V124 HydrophobicContact CD2-CB 4.12Å; L82-V124 HydrophobicContact CD2-CG2 4.43Å; L120-V124 PolarHBondContact O-N 3.14Å; C121-V124 WeakPolarHBondContact O-CG1 3.19Å; L122-V124 VanDerWaalsContact C-N 3.32Å; L122-V124 PolarHBondContact O-N 2.88Å; V124-Y126 VanDerWaalsContact C-N 3.34Å; V124-L133 HydrophobicContact CG2-CB 3.89Å; V124-L133 HydrophobicContact CG2-CD1 4.1Å; V124-L133 HydrophobicContact CG2-CG 4.25Å; V124-L133 CarbonylContact O-C 3.48Å; V124-L133 PolarHBondContact O-N 3.41Å; V124-S134 PolarHBondContact O-N 3.26Å; V124-S134 VanDerWaalsContact O-N 3.16Å; V124-A135 CarbonylContact C-O 3.52Å; V124-A135 PolarHBondContact O-N 3.39Å; V124-A137 HydrophobicContact CG1-CB 3.96Å; V124-R208 HydrophobicContact CG2-CB 4.27Å; V124-L209 HydrophobicContact CB-CB 4.04Å; V124-L209 HydrophobicContact CB-CD2 4.27Å; V124-L209 HydrophobicContact CG1-CB 4.07Å; V124-L209 HydrophobicContact CG1-CD2 4.13Å; V124-L209 HydrophobicContact CG2-CB 3.81Å
125Q98.4Very high97.4Very high8 Ų821.5 Ų21.54%0.03713%0.126CC..THydrogen-bonded Turntrans-80.7-17.5-176.5-56.5-172.245.200113.2C121 L122 S123 A135 F175 N178C121-Q125 PolarHBondContact O-NE2 3.2Å; C121-Q125 VanDerWaalsContact O-NE2 3.07Å; L122-Q125 PolarHBondContact O-N 3.46Å; S123-Q125 PolarHBondContact O-N 3.27Å; Q125-A135 VanDerWaalsContact CA-O 3.3Å; Q125-A135 WeakPolarHBondContact CA-O 3.33Å; Q125-A135 WeakPolarHBondContact CG-O 3.41Å; Q125-A135 PolarHBondContact N-O 2.81Å; Q125-F175 HydrophobicContact CB-CD1 4.27Å; Q125-F175 HydrophobicContact CB-CE1 4.24Å; Q125-F175 HydrophobicContact CG-CD1 4.46Å; Q125-F175 PolarHBondContact NE2-O 2.95Å; Q125-F175 VanDerWaalsContact OE1-CA 3.28Å; Q125-N178 HydrophobicContact CG-CB 4.45Å; Q125-N178 PolarHBondContact OE1-ND2 3.06Å
126Y98.3Very high97.4Very high0 Ų019.7 Ų19.70%012%0.118CC..SBendtrans-66.9157.3175.5-71.2-85.2000111.4L122 S123 V124 G132 L133 S134 Q158 R162 V165 L169 I170 L173 F175L122-Y126 WeakPolarHBondContact O-CD2 3.34Å; S123-Y126 WeakPolarHBondContact O-CD2 3.36Å; S123-Y126 PolarHBondContact O-N 2.89Å; V124-Y126 VanDerWaalsContact C-N 3.34Å; Y126-G132 CarbonylContact O-C 3.45Å; Y126-G132 WeakPolarHBondContact O-CA 3.49Å; Y126-L133 PolarHBondContact O-N 2.91Å; Y126-L133 VanDerWaalsContact O-N 3.12Å; Y126-S134 PolarHBondContact O-N 2.86Å; Y126-Q158 PolarHBondContact OH-OE1 3.34Å; Y126-R162 HydrophobicContact CE2-CG 4.31Å; Y126-V165 HydrophobicContact CD1-CG1 4.07Å; Y126-V165 HydrophobicContact CD1-CG2 4.2Å; Y126-V165 HydrophobicContact CE1-CB 4.33Å; Y126-V165 HydrophobicContact CE1-CG1 3.91Å; Y126-V165 HydrophobicContact CE1-CG2 4.12Å; Y126-L169 HydrophobicContact CD1-CD2 3.95Å; Y126-L169 HydrophobicContact CE1-CD2 4.35Å; Y126-I170 HydrophobicContact CE1-CG1 4.1Å; Y126-L173 HydrophobicContact CD1-CD1 3.69Å; Y126-L173 HydrophobicContact CE1-CD1 3.72Å; Y126-L173 HydrophobicContact CG-CD1 4.2Å; Y126-F175 HydrophobicContact CD2-CE1 4.49Å; Y126-F175 HydrophobicContact CE1-CZ 4.26Å; Y126-F175 AromaticContact CE2-CE1 3.9Å; Y126-F175 HydrophobicContact CE2-CE1 3.9Å; Y126-F175 AromaticContact CE2-CZ 3.95Å; Y126-F175 HydrophobicContact CE2-CZ 3.95Å; Y126-F175 AromaticContact CZ-CZ 3.65Å; Y126-F175 WeakPolarHBondContact OH-CZ 3.46Å
127P97.1Very high97.5Very high21 Ų2119.7 Ų19.714%0.13612%0.117CC..  trans-60160.9168.2-26.337.3000113.4E129 H130 G131 G132 S134 L169P127-E129 VanDerWaalsContact C-N 3.28Å; P127-E129 HydrophobicContact CB-CG 3.99Å; P127-E129 WeakPolarHBondContact CB-OE1 3.44Å; P127-E129 VanDerWaalsContact CB-OE2 3.22Å; P127-E129 WeakPolarHBondContact CB-OE2 2.93Å; P127-E129 PolarHBondContact O-N 3.41Å; P127-H130 CarbonylContact O-C 3.59Å; P127-H130 WeakPolarHBondContact O-CA 3.41Å; P127-H130 PolarHBondContact O-N 3.33Å; P127-G131 PolarHBondContact O-N 3.47Å; P127-G132 PolarHBondContact O-N 3.02Å; P127-S134 WeakPolarHBondContact CA-OG 3.42Å; P127-L169 HydrophobicContact CG-CD1 4.03Å; P127-L169 HydrophobicContact CG-CD2 4.34Å
128V95.2Very high97.5Very high72 Ų7219.7 Ų19.744%0.43612%0.117SC..G310 helixtrans-63-36.7-178.2178.90000111.3L80 H130 G131 G132L80-V128 HydrophobicContact CD2-CG1 3.82Å; V128-H130 PolarHBondContact O-N 2.92Å; V128-H130 VanDerWaalsContact O-N 3.15Å; V128-G131 PolarHBondContact O-N 3.28Å; V128-G132 WeakPolarHBondContact CA-O 3.45Å
129E95Very high97.5Very high146 Ų14619.7 Ų19.768%0.68212%0.117SC*.G310 helixtrans-60.5-21.1173.961.2-91.2-156.700113.6P127P127-E129 VanDerWaalsContact C-N 3.28Å; P127-E129 HydrophobicContact CB-CG 3.99Å; P127-E129 WeakPolarHBondContact CB-OE1 3.44Å; P127-E129 VanDerWaalsContact CB-OE2 3.22Å; P127-E129 WeakPolarHBondContact CB-OE2 2.93Å; P127-E129 PolarHBondContact O-N 3.41Å
130H96.3Very high97.4Very high39 Ų3919.6 Ų19.618%0.18112%0.117CC..G310 helixtrans-110.623.2176.5-66-58.7000112.2P127 V128 G132 R162 V165P127-H130 CarbonylContact O-C 3.59Å; P127-H130 WeakPolarHBondContact O-CA 3.41Å; P127-H130 PolarHBondContact O-N 3.33Å; V128-H130 PolarHBondContact O-N 2.92Å; V128-H130 VanDerWaalsContact O-N 3.15Å; H130-G132 VanDerWaalsContact C-N 3.3Å; H130-G132 PolarHBondContact O-N 3.46Å; H130-R162 PolarHBondContact O-NH1 3.08Å; H130-R162 PolarHBondContact O-NH2 3.11Å; H130-V165 HydrophobicContact CB-CG2 3.99Å
131G95Very high97.2Very high28 Ų2820 Ų2029%0.28912%0.119SC..THydrogen-bonded Turntrans75.610173.700000115.3G83 P127 V128G83-G131 PolarHBondContact N-O 3.05Å; P127-G131 PolarHBondContact O-N 3.47Å; V128-G131 PolarHBondContact O-N 3.28Å
132G97.3Very high96.7Very high1 Ų120.3 Ų20.31%0.0112%0.122CC..  trans-97.5-168.3172.700000113S123 Y126 P127 V128 H130S123-G132 WeakPolarHBondContact O-CA 3.31Å; Y126-G132 CarbonylContact O-C 3.45Å; Y126-G132 WeakPolarHBondContact O-CA 3.49Å; P127-G132 PolarHBondContact O-N 3.02Å; V128-G132 WeakPolarHBondContact CA-O 3.45Å; H130-G132 VanDerWaalsContact C-N 3.3Å; H130-G132 PolarHBondContact O-N 3.46Å
133L96.8Very high95.9Very high4 Ų424.3 Ų24.32%0.02114%0.14CC..  trans-12712.2-179.5-59.5177.6000113L82 V99 V124 Y126 A135 R208 P252L82-L133 HydrophobicContact CB-CD1 4.38Å; V99-L133 HydrophobicContact CG1-CD1 3.96Å; V99-L133 HydrophobicContact CG1-CD2 4.19Å; V124-L133 HydrophobicContact CG2-CB 3.89Å; V124-L133 HydrophobicContact CG2-CD1 4.1Å; V124-L133 HydrophobicContact CG2-CG 4.25Å; V124-L133 CarbonylContact O-C 3.48Å; V124-L133 PolarHBondContact O-N 3.41Å; Y126-L133 PolarHBondContact O-N 2.91Å; Y126-L133 VanDerWaalsContact O-N 3.12Å; L133-A135 PolarHBondContact O-N 2.83Å; L133-R208 HydrophobicContact CB-CB 4.03Å; L133-R208 HydrophobicContact CD1-CB 4.01Å; L133-R208 WeakPolarHBondContact CD1-O 3.08Å; L133-P252 HydrophobicContact CD1-CG 4.07Å
134S97.1Very high95.3Very high79 Ų7928.5 Ų28.555%0.55216%0.162SC*.SBendtrans54.336179.3-50.50000114.1V124 Y126 P127V124-S134 PolarHBondContact O-N 3.26Å; V124-S134 VanDerWaalsContact O-N 3.16Å; Y126-S134 PolarHBondContact O-N 2.86Å; P127-S134 WeakPolarHBondContact CA-OG 3.42Å
135A97.3Very high94.9Very high11 Ų1133.5 Ų33.59%0.09120%0.195CC..SBendtrans-150.9170.2-177.900000111.3V124 Q125 L133 R208V124-A135 CarbonylContact C-O 3.52Å; V124-A135 PolarHBondContact O-N 3.39Å; Q125-A135 VanDerWaalsContact CA-O 3.3Å; Q125-A135 WeakPolarHBondContact CA-O 3.33Å; Q125-A135 WeakPolarHBondContact CG-O 3.41Å; Q125-A135 PolarHBondContact N-O 2.81Å; L133-A135 PolarHBondContact O-N 2.83Å; A135-R208 HydrophobicContact CB-CB 3.81Å; A135-R208 HydrophobicContact CB-CG 3.5Å; A135-R208 VanDerWaalsContact CB-CG 3.5Å
136G98.3Very high94.7Very high1 Ų134.6 Ų34.61%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-76.5-178.717900000115.3N178 R206 V207 R208G136-N178 CarbonylContact C-O 3.18Å; G136-N178 WeakPolarHBondContact CA-O 3.36Å; G136-R206 VanDerWaalsContact CA-O 3.28Å; G136-R206 WeakPolarHBondContact CA-O 3.42Å; G136-R206 PolarHBondContact N-O 3.3Å; G136-V207 CarbonylContact O-C 3.34Å; G136-V207 VanDerWaalsContact O-CA 3.31Å; G136-V207 WeakPolarHBondContact O-CA 3.44Å; G136-R208 PolarHBondContact O-N 2.9Å
137A98.6Very high94.6Very high0 Ų036.7 Ų36.70%021%0.213CC..EExtended strand (participates in β ladder)trans-120.2146.3173.300000110.9C121 V124 N178 I179 Y180 L209C121-A137 HydrophobicContact CB-CB 3.81Å; V124-A137 HydrophobicContact CG1-CB 3.96Å; A137-N178 PolarHBondContact N-O 2.83Å; A137-I179 WeakPolarHBondContact O-CA 3.29Å; A137-Y180 PolarHBondContact O-N 2.88Å; A137-L209 CarbonylContact C-O 3.54Å; A137-L209 WeakPolarHBondContact CA-O 3.36Å; A137-L209 HydrophobicContact CB-CB 4.23Å; A137-L209 HydrophobicContact CB-CD2 4.08Å; A137-L209 HydrophobicContact CB-CG 4.38Å
138L98.5Very high94.6Very high0 Ų039.4 Ų39.40%023%0.226CC..EExtended strand (participates in β ladder)trans-102.9121.4163.1173.862.2000108.2I140 Y180 E182 A198 L201 V207 L209 V210 V211L138-I140 HydrophobicContact CD1-CG1 4.44Å; L138-I140 HydrophobicContact CD2-CD1 4.13Å; L138-I140 HydrophobicContact CD2-CG1 4.27Å; L138-I140 HydrophobicContact CG-CD1 4.4Å; L138-I140 HydrophobicContact CG-CG1 4.02Å; L138-Y180 CarbonylContact C-O 3.42Å; L138-Y180 WeakPolarHBondContact CA-O 3.39Å; L138-E182 HydrophobicContact CD1-CB 4.23Å; L138-E182 HydrophobicContact CD1-CG 3.77Å; L138-A198 HydrophobicContact CD2-CB 3.5Å; L138-L201 HydrophobicContact CD1-CD1 4.21Å; L138-V207 HydrophobicContact CB-CG1 3.97Å; L138-V207 HydrophobicContact CB-CG2 4.32Å; L138-L209 PolarHBondContact N-O 3.47Å; L138-V210 HydrophobicContact CD2-CG1 4.42Å; L138-V210 CarbonylContact O-C 3.57Å; L138-V210 WeakPolarHBondContact O-CA 3.31Å; L138-V211 PolarHBondContact O-N 3.18Å
139Y98Very high94.7Very high0 Ų046.1 Ų46.10%024%0.243CC..EExtended strand (participates in β ladder)trans-110117.8175.4-159.4-74.6000109.6L118 F146 Y180 E182 V211 D213L118-Y139 HydrophobicContact CD2-CE2 4.36Å; Y139-F146 AromaticContact CD1-CD2 3.64Å; Y139-F146 HydrophobicContact CD1-CD2 3.64Å; Y139-F146 AromaticContact CD1-CE2 3.84Å; Y139-F146 HydrophobicContact CD1-CE2 3.84Å; Y139-F146 HydrophobicContact CD2-CD2 4.47Å; Y139-F146 AromaticContact CD2-CE2 3.83Å; Y139-F146 HydrophobicContact CD2-CE2 3.83Å; Y139-F146 AromaticContact CE1-CD2 3.95Å; Y139-F146 HydrophobicContact CE1-CD2 3.95Å; Y139-F146 HydrophobicContact CE1-CE2 4.19Å; Y139-F146 HydrophobicContact CE2-CE2 4.16Å; Y139-F146 AromaticContact CG-CD2 3.93Å; Y139-F146 HydrophobicContact CG-CD2 3.93Å; Y139-F146 AromaticContact CG-CE2 3.65Å; Y139-F146 HydrophobicContact CG-CE2 3.65Å; Y139-Y180 PolarHBondContact N-O 3.1Å; Y139-E182 PolarHBondContact O-N 3.26Å; Y139-V211 HydrophobicContact CD2-CB 3.75Å; Y139-V211 HydrophobicContact CD2-CG1 3.75Å; Y139-V211 HydrophobicContact CD2-CG2 4.29Å; Y139-V211 HydrophobicContact CE2-CB 4.08Å; Y139-V211 HydrophobicContact CE2-CG1 3.53Å; Y139-V211 HydrophobicContact CG-CB 4.29Å; Y139-V211 HydrophobicContact CG-CG1 4.46Å; Y139-D213 HydrophobicContact CE1-CB 3.6Å; Y139-D213 WeakPolarHBondContact OH-CB 3.49Å; Y139-D213 PolarHBondContact OH-OD2 2.89Å
140I96.6Very high94.8Very high0 Ų040.9 Ų40.90%022%0.217CC..EExtended strand (participates in β ladder)trans-105.3110.2-180-54.7172.7000108.3L138 E182 A184 L190 L194 V210 V211 V212 D213L138-I140 HydrophobicContact CD1-CG1 4.44Å; L138-I140 HydrophobicContact CD2-CD1 4.13Å; L138-I140 HydrophobicContact CD2-CG1 4.27Å; L138-I140 HydrophobicContact CG-CD1 4.4Å; L138-I140 HydrophobicContact CG-CG1 4.02Å; I140-E182 CarbonylContact C-O 3.49Å; I140-E182 WeakPolarHBondContact CA-O 3.5Å; I140-E182 HydrophobicContact CG1-CB 4.16Å; I140-A184 HydrophobicContact CG2-CB 3.96Å; I140-L190 HydrophobicContact CD1-CD1 4.37Å; I140-L190 HydrophobicContact CG2-CD1 3.98Å; I140-L194 HydrophobicContact CD1-CD2 4Å; I140-V210 HydrophobicContact CD1-CG1 4.12Å; I140-V211 PolarHBondContact N-O 2.77Å; I140-V212 HydrophobicContact CB-CG1 4.43Å; I140-V212 HydrophobicContact CB-CG2 4.44Å; I140-V212 HydrophobicContact CD1-CG2 4.2Å; I140-D213 PolarHBondContact O-N 3.44Å
141C93.3Very high94.9Very high7 Ų739.2 Ų39.25%0.04721%0.21CC..EExtended strand (participates in β ladder)trans-87.1138.9171.6-72.40000110.2D144 E182 H183 A184 D213C141-D144 WeakPolarHBondContact CB-O 3.45Å; C141-E182 PolarHBondContact N-O 3.42Å; C141-H183 CarbonylContact O-C 3.37Å; C141-H183 WeakPolarHBondContact O-CA 3.32Å; C141-A184 PolarHBondContact O-N 3.18Å; C141-D213 CarbonylContact C-O 3.58Å; C141-D213 WeakPolarHBondContact CA-O 3.34Å
142T88.2Confident95.1Very high8 Ų843.1 Ų43.15%0.04922%0.221CC..SBendtrans-117.6-28.117661.50000114.5A184 D213 S214 L218T142-A184 VanDerWaalsContact CA-O 3.31Å; T142-A184 WeakPolarHBondContact CA-O 3.49Å; T142-D213 PolarHBondContact N-O 2.98Å; T142-D213 PolarHBondContact OG1-O 3.49Å; T142-S214 PolarHBondContact OG1-N 3.1Å; T142-S214 PolarHBondContact OG1-O 3.36Å; T142-L218 HydrophobicContact CG2-CD1 3.83Å; T142-L218 HydrophobicContact CG2-CD2 4.44Å; T142-L218 HydrophobicContact CG2-CG 4.08Å
143E82.4Confident95.1Very high83 Ų8346.6 Ų46.639%0.38824%0.237SC..SBendtrans-118.7-64.5179.8-65.9178.2137.600111.2A217 K258E143-A217 HydrophobicContact CG-CB 3.15Å; E143-A217 WeakPolarHBondContact OE1-CB 3.46Å; E143-K258 IonicContact OE2-NZ 3.26Å; E143-K258 PolarHBondContact OE2-NZ 2.61Å
144D85.1Confident95.2Very high90 Ų9046.4 Ų46.448%0.48124%0.236SC..SBendtrans-91.5144.7-168.1-64.9-52.1000110.3C141 K258C141-D144 WeakPolarHBondContact CB-O 3.45Å; D144-K258 IonicContact OD2-NZ 2.77Å; D144-K258 PolarHBondContact OD2-NZ 2.93Å
145P90.4Very high95.2Very high106 Ų10644.6 Ų44.669%0.68822%0.219SC*.PPolyproline II helixtrans-61.3146.8173.326.9-34.2000110.7
146F94.7Very high95.2Very high31 Ų3148.1 Ų48.114%0.13624%0.243CC..PPolyproline II helixtrans-58.5128.9179.9-176.8-99000111.4L118 Y139 I148 L151 I179 L181L118-F146 HydrophobicContact CD2-CE1 4.43Å; L118-F146 HydrophobicContact CD2-CE2 3.58Å; L118-F146 HydrophobicContact CD2-CZ 3.46Å; L118-F146 VanDerWaalsContact CD2-CZ 3.46Å; Y139-F146 AromaticContact CD1-CD2 3.64Å; Y139-F146 HydrophobicContact CD1-CD2 3.64Å; Y139-F146 AromaticContact CD1-CE2 3.84Å; Y139-F146 HydrophobicContact CD1-CE2 3.84Å; Y139-F146 HydrophobicContact CD2-CD2 4.47Å; Y139-F146 AromaticContact CD2-CE2 3.83Å; Y139-F146 HydrophobicContact CD2-CE2 3.83Å; Y139-F146 AromaticContact CE1-CD2 3.95Å; Y139-F146 HydrophobicContact CE1-CD2 3.95Å; Y139-F146 HydrophobicContact CE1-CE2 4.19Å; Y139-F146 HydrophobicContact CE2-CE2 4.16Å; Y139-F146 AromaticContact CG-CD2 3.93Å; Y139-F146 HydrophobicContact CG-CD2 3.93Å; Y139-F146 AromaticContact CG-CE2 3.65Å; Y139-F146 HydrophobicContact CG-CE2 3.65Å; F146-I148 HydrophobicContact CD1-CB 4.18Å; F146-I148 HydrophobicContact CE1-CD1 4.21Å; F146-I148 PolarHBondContact O-N 3.46Å; F146-L151 HydrophobicContact CE1-CB 4.07Å; F146-L151 HydrophobicContact CE1-CD2 3.67Å; F146-L151 HydrophobicContact CE1-CG 4.43Å; F146-L151 HydrophobicContact CZ-CB 4.27Å; F146-L151 HydrophobicContact CZ-CD2 3.82Å; F146-L151 HydrophobicContact CZ-CG 4.45Å; F146-I179 HydrophobicContact CZ-CG2 4.5Å; F146-L181 HydrophobicContact CB-CD1 4.17Å; F146-L181 HydrophobicContact CB-CD2 4.44Å; F146-L181 HydrophobicContact CD1-CD1 3.62Å; F146-L181 HydrophobicContact CD1-CD2 3.87Å; F146-L181 HydrophobicContact CD1-CG 4.42Å; F146-L181 HydrophobicContact CD2-CD2 3.51Å; F146-L181 HydrophobicContact CE1-CD1 4.14Å; F146-L181 HydrophobicContact CE1-CD2 3.93Å; F146-L181 HydrophobicContact CE2-CD2 3.57Å; F146-L181 HydrophobicContact CG-CD1 3.85Å; F146-L181 HydrophobicContact CG-CD2 3.66Å; F146-L181 HydrophobicContact CG-CG 4.38Å; F146-L181 HydrophobicContact CZ-CD2 3.79Å
147P95.1Very high95.2Very high43 Ų4350 Ų5028%0.27925%0.252SS..  trans-79.165.3-173.534.4-40000112.6T114 L118 R149 R150 L151T114-P147 HydrophobicContact CG2-CG 3.86Å; L118-P147 HydrophobicContact CD1-CG 3.77Å; L118-P147 HydrophobicContact CD2-CG 4.01Å; L118-P147 HydrophobicContact CG-CG 4.29Å; P147-R149 VanDerWaalsContact C-N 3.32Å; P147-R149 PolarHBondContact O-N 2.69Å; P147-R150 HydrophobicContact CB-CB 4.27Å; P147-R150 WeakPolarHBondContact O-CB 3.49Å; P147-R150 PolarHBondContact O-N 2.93Å; P147-L151 PolarHBondContact O-N 3.33Å
148I96.6Very high95.1Very high78 Ų7850.1 Ų50.140%0.425%0.252SS..Hα-helixtrans-57.1-39.3-173.1-173.657.2000113.8F146 R150 L151 Q152F146-I148 HydrophobicContact CD1-CB 4.18Å; F146-I148 HydrophobicContact CE1-CD1 4.21Å; F146-I148 PolarHBondContact O-N 3.46Å; I148-R150 VanDerWaalsContact C-N 3.27Å; I148-R150 PolarHBondContact O-N 2.9Å; I148-L151 HydrophobicContact CD1-CD2 4.09Å; I148-L151 WeakPolarHBondContact O-CB 3.42Å; I148-L151 PolarHBondContact O-N 3.22Å; I148-Q152 HydrophobicContact CD1-CG 4.43Å; I148-Q152 WeakPolarHBondContact O-CG 3.19Å; I148-Q152 PolarHBondContact O-N 3.3Å
149R97.8Very high95Very high214 Ų21453.5 Ų53.581%0.80827%0.273SS*.Hα-helixtrans-62.1-39.3178.2-64.6-175.3-175-179.21.8111.3P147 Q152 Q153P147-R149 VanDerWaalsContact C-N 3.32Å; P147-R149 PolarHBondContact O-N 2.69Å; R149-Q152 PolarHBondContact O-N 3.06Å; R149-Q153 PolarHBondContact O-N 3.09Å; R149-Q153 VanDerWaalsContact O-N 3.13Å
150R97.7Very high94.9Very high35 Ų3556.1 Ų56.113%0.13229%0.291CS..Hα-helixtrans-70.5-40.2176.7-177.555.5177.3156.74.6111.1Q115 L118 P147 I148 Q152 Q153 L154 W332 R333Q115-R150 VanDerWaalsContact OE1-CZ 3.25Å; L118-R150 HydrophobicContact CD1-CB 4.19Å; L118-R150 HydrophobicContact CD1-CG 3.81Å; P147-R150 HydrophobicContact CB-CB 4.27Å; P147-R150 WeakPolarHBondContact O-CB 3.49Å; P147-R150 PolarHBondContact O-N 2.93Å; I148-R150 VanDerWaalsContact C-N 3.27Å; I148-R150 PolarHBondContact O-N 2.9Å; R150-Q152 PolarHBondContact O-N 3.46Å; R150-Q153 WeakPolarHBondContact O-CB 3.27Å; R150-Q153 PolarHBondContact O-N 2.89Å; R150-L154 HydrophobicContact CG-CD1 4.48Å; R150-L154 WeakPolarHBondContact O-CG 3.14Å; R150-L154 PolarHBondContact O-N 3.15Å; R150-W332 PolarHBondContact NH2-O 3.14Å; R150-R333 PolarHBondContact NH1-O 2.91Å
151L98.3Very high94.9Very high4 Ų456.4 Ų56.42%0.02129%0.293CS..Hα-helixtrans-57.6-48173.3179.669.5000111.3L118 L122 F146 P147 I148 Q153 L154 I155 I179L118-L151 HydrophobicContact CD2-CB 4.4Å; L118-L151 HydrophobicContact CD2-CD1 4.34Å; L122-L151 HydrophobicContact CD1-CD1 4.37Å; L122-L151 HydrophobicContact CD2-CD1 3.87Å; L122-L151 HydrophobicContact CG-CD1 4.15Å; F146-L151 HydrophobicContact CE1-CB 4.07Å; F146-L151 HydrophobicContact CE1-CD2 3.67Å; F146-L151 HydrophobicContact CE1-CG 4.43Å; F146-L151 HydrophobicContact CZ-CB 4.27Å; F146-L151 HydrophobicContact CZ-CD2 3.82Å; F146-L151 HydrophobicContact CZ-CG 4.45Å; P147-L151 PolarHBondContact O-N 3.33Å; I148-L151 HydrophobicContact CD1-CD2 4.09Å; I148-L151 WeakPolarHBondContact O-CB 3.42Å; I148-L151 PolarHBondContact O-N 3.22Å; L151-Q153 VanDerWaalsContact C-N 3.3Å; L151-Q153 PolarHBondContact O-N 2.96Å; L151-L154 WeakPolarHBondContact O-CB 3.36Å; L151-L154 PolarHBondContact O-N 2.75Å; L151-L154 VanDerWaalsContact O-N 3.1Å; L151-I155 HydrophobicContact CD1-CD1 4.36Å; L151-I155 HydrophobicContact CD2-CD1 4.3Å; L151-I155 HydrophobicContact CG-CD1 3.89Å; L151-I155 HydrophobicContact CG-CG1 4.43Å; L151-I155 WeakPolarHBondContact O-CG1 3.29Å; L151-I155 PolarHBondContact O-N 3.16Å; L151-I179 HydrophobicContact CD1-CD1 3.81Å; L151-I179 HydrophobicContact CD2-CD1 3.8Å; L151-I179 HydrophobicContact CG-CD1 4.41Å
152Q98.2Very high95Very high111 Ų11156.7 Ų56.752%0.51929%0.293SS..Hα-helixtrans-58.6-41.8179-73.9176.1-30.900112.1I148 R149 R150 I155 S156I148-Q152 HydrophobicContact CD1-CG 4.43Å; I148-Q152 WeakPolarHBondContact O-CG 3.19Å; I148-Q152 PolarHBondContact O-N 3.3Å; R149-Q152 PolarHBondContact O-N 3.06Å; R150-Q152 PolarHBondContact O-N 3.46Å; Q152-I155 PolarHBondContact O-N 3.01Å; Q152-S156 PolarHBondContact O-N 3.41Å; Q152-S156 PolarHBondContact O-OG 2.85Å
153Q98.3Very high95.3Very high74 Ų7461 Ų6135%0.34632%0.324SS..Hα-helixtrans-62.2-42.3174.3-173.7-176.321.300112.4R149 R150 L151 I155 S156 E157 R333R149-Q153 PolarHBondContact O-N 3.09Å; R149-Q153 VanDerWaalsContact O-N 3.13Å; R150-Q153 WeakPolarHBondContact O-CB 3.27Å; R150-Q153 PolarHBondContact O-N 2.89Å; L151-Q153 VanDerWaalsContact C-N 3.3Å; L151-Q153 PolarHBondContact O-N 2.96Å; Q153-I155 VanDerWaalsContact C-N 3.31Å; Q153-I155 PolarHBondContact O-N 2.77Å; Q153-S156 PolarHBondContact O-N 2.79Å; Q153-S156 PolarHBondContact O-OG 2.8Å; Q153-E157 WeakPolarHBondContact O-CB 3.18Å; Q153-E157 VanDerWaalsContact O-CG 3.28Å; Q153-E157 WeakPolarHBondContact O-CG 3.37Å; Q153-E157 PolarHBondContact O-N 3.07Å; Q153-R333 HydrophobicContact CG-CG 4.31Å
154L98.3Very high95.8Very high0 Ų061.5 Ų61.50%033%0.329CS..Hα-helixtrans-65.6-36.2176-67.4174.6000111.9L118 L122 R150 L151 E157 Q158 E334L118-L154 HydrophobicContact CB-CD1 3.62Å; L118-L154 HydrophobicContact CD1-CD1 4.06Å; L122-L154 HydrophobicContact CD1-CB 3.65Å; R150-L154 HydrophobicContact CG-CD1 4.48Å; R150-L154 WeakPolarHBondContact O-CG 3.14Å; R150-L154 PolarHBondContact O-N 3.15Å; L151-L154 WeakPolarHBondContact O-CB 3.36Å; L151-L154 PolarHBondContact O-N 2.75Å; L151-L154 VanDerWaalsContact O-N 3.1Å; L154-E157 PolarHBondContact O-N 2.95Å; L154-Q158 WeakPolarHBondContact O-CG 3.48Å; L154-Q158 PolarHBondContact O-N 3.32Å; L154-Q158 PolarHBondContact O-NE2 3.15Å; L154-E334 WeakPolarHBondContact CD2-O 3.32Å
155I98.3Very high96.4Very high40 Ų4057.4 Ų57.421%0.20531%0.307CS..Hα-helixtrans-63.8-48.2175.7-70168.9000110.6L122 L151 Q152 Q153 E157 Q158 F175 S176L122-I155 HydrophobicContact CD1-CG1 4.17Å; L122-I155 HydrophobicContact CD2-CD1 4.21Å; L122-I155 HydrophobicContact CD2-CG1 3.6Å; L151-I155 HydrophobicContact CD1-CD1 4.36Å; L151-I155 HydrophobicContact CD2-CD1 4.3Å; L151-I155 HydrophobicContact CG-CD1 3.89Å; L151-I155 HydrophobicContact CG-CG1 4.43Å; L151-I155 WeakPolarHBondContact O-CG1 3.29Å; L151-I155 PolarHBondContact O-N 3.16Å; Q152-I155 PolarHBondContact O-N 3.01Å; Q153-I155 VanDerWaalsContact C-N 3.31Å; Q153-I155 PolarHBondContact O-N 2.77Å; I155-E157 PolarHBondContact O-N 2.71Å; I155-Q158 WeakPolarHBondContact O-CG 3.41Å; I155-Q158 PolarHBondContact O-N 2.95Å; I155-F175 HydrophobicContact CD1-CB 3.74Å; I155-F175 HydrophobicContact CG1-CB 3.77Å; I155-F175 HydrophobicContact CG1-CG 4.33Å; I155-F175 HydrophobicContact CG2-CB 4.32Å; I155-F175 HydrophobicContact CG2-CD2 4.11Å; I155-S176 WeakPolarHBondContact CD1-OG 2.89Å
156S97.6Very high96.7Very high86 Ų8655.1 Ų55.160%0.60129%0.292SS*.Hα-helixtrans-62.7-25-179.656.20000113.2Q152 Q153Q152-S156 PolarHBondContact O-N 3.41Å; Q152-S156 PolarHBondContact O-OG 2.85Å; Q153-S156 PolarHBondContact O-N 2.79Å; Q153-S156 PolarHBondContact O-OG 2.8Å
157E97.3Very high96.8Very high41 Ų4157.8 Ų57.819%0.19231%0.313CS..THydrogen-bonded Turntrans-10311.5-176.4-64.1-72.6176.100113.3Q153 L154 I155 T159 S160 L161 R333 E334Q153-E157 WeakPolarHBondContact O-CB 3.18Å; Q153-E157 VanDerWaalsContact O-CG 3.28Å; Q153-E157 WeakPolarHBondContact O-CG 3.37Å; Q153-E157 PolarHBondContact O-N 3.07Å; L154-E157 PolarHBondContact O-N 2.95Å; I155-E157 PolarHBondContact O-N 2.71Å; E157-T159 VanDerWaalsContact C-N 3.28Å; E157-T159 PolarHBondContact O-N 2.85Å; E157-S160 WeakPolarHBondContact O-CA 3.49Å; E157-S160 VanDerWaalsContact O-CB 3.32Å; E157-S160 WeakPolarHBondContact O-CB 3.2Å; E157-S160 PolarHBondContact O-N 3.31Å; E157-S160 PolarHBondContact OE2-OG 2.86Å; E157-L161 PolarHBondContact O-N 3.26Å; E157-R333 HydrophobicContact CG-CG 4.1Å; E157-R333 WeakPolarHBondContact OE1-CD 3.37Å; E157-E334 VanDerWaalsContact CB-CA 3.45Å; E157-E334 HydrophobicContact CB-CB 3.62Å; E157-E334 HydrophobicContact CG-CB 4.35Å
158Q97.2Very high96.9Very high2 Ų259.5 Ų59.51%0.00933%0.326CS..Hα-helixtrans-59.3-38.6-179.5-78.7-55.7-71.400112.7L122 Y126 L154 I155 S160 L161 R162 I170 F175L122-Q158 HydrophobicContact CD1-CG 4.37Å; L122-Q158 VanDerWaalsContact CD1-NE2 3.33Å; Y126-Q158 PolarHBondContact OH-OE1 3.34Å; L154-Q158 WeakPolarHBondContact O-CG 3.48Å; L154-Q158 PolarHBondContact O-N 3.32Å; L154-Q158 PolarHBondContact O-NE2 3.15Å; I155-Q158 WeakPolarHBondContact O-CG 3.41Å; I155-Q158 PolarHBondContact O-N 2.95Å; Q158-S160 VanDerWaalsContact C-N 3.25Å; Q158-S160 PolarHBondContact O-N 2.82Å; Q158-L161 PolarHBondContact O-N 3.25Å; Q158-R162 WeakPolarHBondContact O-CB 3.46Å; Q158-R162 PolarHBondContact O-N 2.85Å; Q158-I170 HydrophobicContact CB-CG2 3.7Å; Q158-F175 HydrophobicContact CB-CE2 4.41Å; Q158-F175 HydrophobicContact CG-CD2 4.49Å; Q158-F175 HydrophobicContact CG-CE2 3.92Å; Q158-F175 HydrophobicContact CG-CZ 4.03Å
159T96.6Very high96.9Very high70 Ų7057.5 Ų57.543%0.42932%0.316SS..Hα-helixtrans-61.1-37.1176-49.40000111.8E157 P167E157-T159 VanDerWaalsContact C-N 3.28Å; E157-T159 PolarHBondContact O-N 2.85Å; T159-P167 HydrophobicContact CG2-CB 4.23Å; T159-P167 HydrophobicContact CG2-CG 4.1Å
160S95.4Very high96.9Very high55 Ų5547.9 Ų47.939%0.38528%0.28SS..Hα-helixtrans-67.5-50.6175.4-52.20000110.4E157 Q158 R337E157-S160 WeakPolarHBondContact O-CA 3.49Å; E157-S160 VanDerWaalsContact O-CB 3.32Å; E157-S160 WeakPolarHBondContact O-CB 3.2Å; E157-S160 PolarHBondContact O-N 3.31Å; E157-S160 PolarHBondContact OE2-OG 2.86Å; Q158-S160 VanDerWaalsContact C-N 3.25Å; Q158-S160 PolarHBondContact O-N 2.82Å; S160-R337 VanDerWaalsContact C-NH2 3.27Å; S160-R337 PolarHBondContact O-NH2 2.94Å
161L95.6Very high96.8Very high6 Ų649 Ų493%0.03130%0.302CS..Hα-helixtrans-66.2-47.4-176-173.670.5000112.4Q119 E157 Q158 E334 R337Q119-L161 HydrophobicContact CG-CD2 4.09Å; E157-L161 PolarHBondContact O-N 3.26Å; Q158-L161 PolarHBondContact O-N 3.25Å; L161-E334 HydrophobicContact CB-CB 4.18Å; L161-E334 HydrophobicContact CB-CG 4.28Å; L161-E334 HydrophobicContact CD1-CG 3.99Å; L161-R337 HydrophobicContact CD1-CG 3.84Å
162R95.8Very high96.7Very high13 Ų1358.6 Ų58.65%0.04934%0.338CS..THydrogen-bonded Turntrans-104.657.3-174.3-66.2-60.5-55.6-85.74.5111.3Y126 H130 Q158 D164 V165 I170Y126-R162 HydrophobicContact CE2-CG 4.31Å; H130-R162 PolarHBondContact O-NH1 3.08Å; H130-R162 PolarHBondContact O-NH2 3.11Å; Q158-R162 WeakPolarHBondContact O-CB 3.46Å; Q158-R162 PolarHBondContact O-N 2.85Å; R162-D164 VanDerWaalsContact CA-OD1 3.28Å; R162-D164 WeakPolarHBondContact CA-OD1 3.37Å; R162-D164 IonicContact CZ-OD1 2.82Å; R162-D164 IonicContact CZ-OD2 3.31Å; R162-D164 IonicContact NE-OD1 3.86Å; R162-D164 PolarHBondContact NE-OD1 3.07Å; R162-D164 IonicContact NE-OD2 2.81Å; R162-D164 PolarHBondContact NE-OD2 3.24Å; R162-D164 IonicContact NH2-OD1 3.96Å; R162-D164 IonicContact NH2-OD2 2.99Å; R162-D164 PolarHBondContact NH2-OD2 3.33Å; R162-D164 PolarHBondContact O-N 2.93Å; R162-D164 VanDerWaalsContact O-N 3.1Å; R162-V165 HydrophobicContact CB-CB 4.28Å; R162-V165 HydrophobicContact CB-CG2 4.01Å; R162-V165 PolarHBondContact O-N 3.2Å; R162-I170 HydrophobicContact CB-CD1 4.41Å
163S94.1Very high96.6Very high100 Ų10055.1 Ų55.170%0.69932%0.323SS*.THydrogen-bonded Turntrans-62.6-14.2175.759.10000113.4V165S163-V165 VanDerWaalsContact C-N 3.29Å
164D94.4Very high96.5Very high92 Ų9259.5 Ų59.549%0.49234%0.337SS..THydrogen-bonded Turntrans-76-12.9172.163.6-61.5000113.7R162R162-D164 VanDerWaalsContact CA-OD1 3.28Å; R162-D164 WeakPolarHBondContact CA-OD1 3.37Å; R162-D164 IonicContact CZ-OD1 2.82Å; R162-D164 IonicContact CZ-OD2 3.31Å; R162-D164 IonicContact NE-OD1 3.86Å; R162-D164 PolarHBondContact NE-OD1 3.07Å; R162-D164 IonicContact NE-OD2 2.81Å; R162-D164 PolarHBondContact NE-OD2 3.24Å; R162-D164 IonicContact NH2-OD1 3.96Å; R162-D164 IonicContact NH2-OD2 2.99Å; R162-D164 PolarHBondContact NH2-OD2 3.33Å; R162-D164 PolarHBondContact O-N 2.93Å; R162-D164 VanDerWaalsContact O-N 3.1Å
165V96.7Very high96.5Very high5 Ų559.9 Ų59.93%0.0334%0.338CS..SBendtrans-108.2136.3-177.3-175.50000110.4Y126 H130 R162 S163 L169 I170Y126-V165 HydrophobicContact CD1-CG1 4.07Å; Y126-V165 HydrophobicContact CD1-CG2 4.2Å; Y126-V165 HydrophobicContact CE1-CB 4.33Å; Y126-V165 HydrophobicContact CE1-CG1 3.91Å; Y126-V165 HydrophobicContact CE1-CG2 4.12Å; H130-V165 HydrophobicContact CB-CG2 3.99Å; R162-V165 HydrophobicContact CB-CB 4.28Å; R162-V165 HydrophobicContact CB-CG2 4.01Å; R162-V165 PolarHBondContact O-N 3.2Å; S163-V165 VanDerWaalsContact C-N 3.29Å; V165-L169 HydrophobicContact CG1-CB 4.16Å; V165-L169 HydrophobicContact CG1-CD2 3.63Å; V165-L169 HydrophobicContact CG1-CG 4.37Å; V165-I170 HydrophobicContact CB-CD1 4.27Å; V165-I170 HydrophobicContact CB-CG1 4.26Å; V165-I170 HydrophobicContact CG1-CD1 4.48Å; V165-I170 HydrophobicContact CG1-CG1 3.94Å
166P97.3Very high96.3Very high58 Ų5861 Ų6138%0.37735%0.35SS..  trans-56.3130.5176.1-26.134.9000112.3S168 L169 I170P166-S168 PolarHBondContact O-N 2.8Å; P166-S168 VanDerWaalsContact O-N 3.12Å; P166-L169 HydrophobicContact CB-CB 4.37Å; P166-L169 WeakPolarHBondContact O-CA 3.39Å; P166-L169 WeakPolarHBondContact O-CB 3.41Å; P166-L169 PolarHBondContact O-N 2.87Å; P166-I170 PolarHBondContact O-N 3.11Å
167P96.8Very high96.3Very high86 Ų8662.3 Ų62.356%0.55835%0.35SS*.Hα-helixtrans-57.6-31179.5-26.834.2000113.6T159 L169 I170 G171T159-P167 HydrophobicContact CG2-CB 4.23Å; T159-P167 HydrophobicContact CG2-CG 4.1Å; P167-L169 VanDerWaalsContact C-N 3.27Å; P167-L169 PolarHBondContact O-N 3.22Å; P167-I170 PolarHBondContact O-N 3.04Å; P167-G171 PolarHBondContact O-N 3.44Å
168S96.9Very high96.3Very high79 Ų7963.1 Ų63.155%0.55236%0.355SS*.Hα-helixtrans-63.7-31.2174.856.50000113.1P166 R172P166-S168 PolarHBondContact O-N 2.8Å; P166-S168 VanDerWaalsContact O-N 3.12Å; S168-R172 VanDerWaalsContact O-CG 3.31Å; S168-R172 WeakPolarHBondContact O-CG 3.49Å; S168-R172 PolarHBondContact O-N 2.89Å
169L97.1Very high96.3Very high37 Ų3763.8 Ų63.819%0.19436%0.359CS..Hα-helixtrans-74.8-46.5175.8-171.3142.7000110.1Y126 P127 V165 P166 P167 G171 R172 L173Y126-L169 HydrophobicContact CD1-CD2 3.95Å; Y126-L169 HydrophobicContact CE1-CD2 4.35Å; P127-L169 HydrophobicContact CG-CD1 4.03Å; P127-L169 HydrophobicContact CG-CD2 4.34Å; V165-L169 HydrophobicContact CG1-CB 4.16Å; V165-L169 HydrophobicContact CG1-CD2 3.63Å; V165-L169 HydrophobicContact CG1-CG 4.37Å; P166-L169 HydrophobicContact CB-CB 4.37Å; P166-L169 WeakPolarHBondContact O-CA 3.39Å; P166-L169 WeakPolarHBondContact O-CB 3.41Å; P166-L169 PolarHBondContact O-N 2.87Å; P167-L169 VanDerWaalsContact C-N 3.27Å; P167-L169 PolarHBondContact O-N 3.22Å; L169-G171 VanDerWaalsContact C-N 3.29Å; L169-G171 PolarHBondContact O-N 3.28Å; L169-R172 PolarHBondContact O-N 3.46Å; L169-R172 VanDerWaalsContact O-N 3.07Å; L169-L173 HydrophobicContact CD2-CD1 3.98Å; L169-L173 HydrophobicContact CD2-CG 4.44Å; L169-L173 PolarHBondContact O-N 2.81Å
170I97.1Very high96.4Very high12 Ų1263.5 Ų63.56%0.06235%0.35CS..Hα-helixtrans-55.2-46.5175.4-58.9176.5000110.3Y126 Q158 R162 V165 P166 P167 R172 L173 F175Y126-I170 HydrophobicContact CE1-CG1 4.1Å; Q158-I170 HydrophobicContact CB-CG2 3.7Å; R162-I170 HydrophobicContact CB-CD1 4.41Å; V165-I170 HydrophobicContact CB-CD1 4.27Å; V165-I170 HydrophobicContact CB-CG1 4.26Å; V165-I170 HydrophobicContact CG1-CD1 4.48Å; V165-I170 HydrophobicContact CG1-CG1 3.94Å; P166-I170 PolarHBondContact O-N 3.11Å; P167-I170 PolarHBondContact O-N 3.04Å; I170-R172 PolarHBondContact O-N 2.88Å; I170-L173 PolarHBondContact O-N 2.81Å; I170-L173 VanDerWaalsContact O-N 3.11Å; I170-F175 HydrophobicContact CG2-CE2 4.09Å
171G95.9Very high96.5Very high58 Ų5865 Ų6560%0.59835%0.353SS*.THydrogen-bonded Turntrans-65.8-18.2179.900000115.3P167 L169P167-G171 PolarHBondContact O-N 3.44Å; L169-G171 VanDerWaalsContact C-N 3.29Å; L169-G171 PolarHBondContact O-N 3.28Å
172R96.4Very high96.5Very high205 Ų20567 Ų6777%0.77436%0.363SS*.THydrogen-bonded Turntrans-84.9-23.5174.1-71.9171.9-172.6-175.62.8112.7S168 L169 I170 R174S168-R172 VanDerWaalsContact O-CG 3.31Å; S168-R172 WeakPolarHBondContact O-CG 3.49Å; S168-R172 PolarHBondContact O-N 2.89Å; L169-R172 PolarHBondContact O-N 3.46Å; L169-R172 VanDerWaalsContact O-N 3.07Å; I170-R172 PolarHBondContact O-N 2.88Å; R172-R174 PolarHBondContact O-N 3.49Å
173L96.8Very high96.4Very high39 Ų3971.4 Ų71.420%0.20438%0.384CS..  trans-74125-178.7-65.4174.1000110.3Y126 L169 I170 F175Y126-L173 HydrophobicContact CD1-CD1 3.69Å; Y126-L173 HydrophobicContact CE1-CD1 3.72Å; Y126-L173 HydrophobicContact CG-CD1 4.2Å; L169-L173 HydrophobicContact CD2-CD1 3.98Å; L169-L173 HydrophobicContact CD2-CG 4.44Å; L169-L173 PolarHBondContact O-N 2.81Å; I170-L173 PolarHBondContact O-N 2.81Å; I170-L173 VanDerWaalsContact O-N 3.11Å; L173-F175 HydrophobicContact CB-CD2 4.14Å; L173-F175 HydrophobicContact CB-CE1 4.18Å; L173-F175 HydrophobicContact CB-CE2 3.76Å; L173-F175 HydrophobicContact CB-CZ 3.79Å; L173-F175 HydrophobicContact CD1-CE1 3.86Å; L173-F175 HydrophobicContact CD1-CE2 4.24Å; L173-F175 HydrophobicContact CD1-CZ 3.48Å; L173-F175 VanDerWaalsContact CD1-CZ 3.48Å; L173-F175 HydrophobicContact CG-CZ 4.29Å; L173-F175 PolarHBondContact O-N 2.78Å
174R95.2Very high96.3Very high166 Ų16666.7 Ų66.763%0.62635%0.351SS*.  trans-91.576.1171.9-63-64.2-173-149.80.8109.2R172 S176 D177 N178R172-R174 PolarHBondContact O-N 3.49Å; R174-S176 VanDerWaalsContact C-N 3.31Å; R174-S176 PolarHBondContact O-N 2.92Å; R174-D177 HydrophobicContact CB-CB 3.99Å; R174-D177 WeakPolarHBondContact CB-OD2 3.41Å; R174-D177 PolarHBondContact O-N 2.94Å; R174-N178 PolarHBondContact O-ND2 3.22Å; R174-N178 VanDerWaalsContact O-ND2 3.14Å
175F97.3Very high96Very high8 Ų865.4 Ų65.44%0.03535%0.353CS..THydrogen-bonded Turntrans-54.9-44-172-73.7-71.5000113.9L122 Q125 Y126 I155 Q158 I170 L173 I179L122-F175 HydrophobicContact CB-CD1 4.14Å; L122-F175 HydrophobicContact CB-CE1 4.2Å; L122-F175 HydrophobicContact CD2-CB 3.69Å; L122-F175 HydrophobicContact CD2-CD1 3.53Å; L122-F175 HydrophobicContact CD2-CE1 4.36Å; L122-F175 HydrophobicContact CD2-CG 3.76Å; L122-F175 HydrophobicContact CG-CD1 4.43Å; Q125-F175 HydrophobicContact CB-CD1 4.27Å; Q125-F175 HydrophobicContact CB-CE1 4.24Å; Q125-F175 HydrophobicContact CG-CD1 4.46Å; Q125-F175 PolarHBondContact NE2-O 2.95Å; Q125-F175 VanDerWaalsContact OE1-CA 3.28Å; Y126-F175 HydrophobicContact CD2-CE1 4.49Å; Y126-F175 HydrophobicContact CE1-CZ 4.26Å; Y126-F175 AromaticContact CE2-CE1 3.9Å; Y126-F175 HydrophobicContact CE2-CE1 3.9Å; Y126-F175 AromaticContact CE2-CZ 3.95Å; Y126-F175 HydrophobicContact CE2-CZ 3.95Å; Y126-F175 AromaticContact CZ-CZ 3.65Å; Y126-F175 WeakPolarHBondContact OH-CZ 3.46Å; I155-F175 HydrophobicContact CD1-CB 3.74Å; I155-F175 HydrophobicContact CG1-CB 3.77Å; I155-F175 HydrophobicContact CG1-CG 4.33Å; I155-F175 HydrophobicContact CG2-CB 4.32Å; I155-F175 HydrophobicContact CG2-CD2 4.11Å; Q158-F175 HydrophobicContact CB-CE2 4.41Å; Q158-F175 HydrophobicContact CG-CD2 4.49Å; Q158-F175 HydrophobicContact CG-CE2 3.92Å; Q158-F175 HydrophobicContact CG-CZ 4.03Å; I170-F175 HydrophobicContact CG2-CE2 4.09Å; L173-F175 HydrophobicContact CB-CD2 4.14Å; L173-F175 HydrophobicContact CB-CE1 4.18Å; L173-F175 HydrophobicContact CB-CE2 3.76Å; L173-F175 HydrophobicContact CB-CZ 3.79Å; L173-F175 HydrophobicContact CD1-CE1 3.86Å; L173-F175 HydrophobicContact CD1-CE2 4.24Å; L173-F175 HydrophobicContact CD1-CZ 3.48Å; L173-F175 VanDerWaalsContact CD1-CZ 3.48Å; L173-F175 HydrophobicContact CG-CZ 4.29Å; L173-F175 PolarHBondContact O-N 2.78Å; F175-I179 WeakPolarHBondContact O-CD1 3.37Å; F175-I179 WeakPolarHBondContact O-CG1 3.39Å
176S95.8Very high95.7Very high64 Ų6468.1 Ų68.145%0.44837%0.367SS..G310 helixtrans-67.7-36.1-178.7-61.50000113.3I155 R174 N178 I179I155-S176 WeakPolarHBondContact CD1-OG 2.89Å; R174-S176 VanDerWaalsContact C-N 3.31Å; R174-S176 PolarHBondContact O-N 2.92Å; S176-N178 PolarHBondContact O-N 3.39Å; S176-I179 PolarHBondContact O-N 3.19Å
177D96.4Very high95.3Very high113 Ų11365.6 Ų65.660%0.60435%0.351SS*.G310 helixtrans-71.1-19.1-174.7-61.5-6.6000112.4R174R174-D177 HydrophobicContact CB-CB 3.99Å; R174-D177 WeakPolarHBondContact CB-OD2 3.41Å; R174-D177 PolarHBondContact O-N 2.94Å
178N97.2Very high95.1Very high57 Ų5767 Ų6731%0.30535%0.354SS..G310 helixtrans-110.119.3-177.5-59.4-55.9000112.9Q125 G136 A137 R174 S176Q125-N178 HydrophobicContact CG-CB 4.45Å; Q125-N178 PolarHBondContact OE1-ND2 3.06Å; G136-N178 CarbonylContact C-O 3.18Å; G136-N178 WeakPolarHBondContact CA-O 3.36Å; A137-N178 PolarHBondContact N-O 2.83Å; R174-N178 PolarHBondContact O-ND2 3.22Å; R174-N178 VanDerWaalsContact O-ND2 3.14Å; S176-N178 PolarHBondContact O-N 3.39Å
179I98.3Very high94.9Very high17 Ų1765.1 Ų65.19%0.08734%0.34CS..EExtended strand (participates in β ladder)trans-115106.8171.2-62.8169.2000108.4C121 L122 A137 F146 L151 F175 S176 L181C121-I179 HydrophobicContact CB-CD1 3.94Å; C121-I179 HydrophobicContact CB-CG1 4.23Å; L122-I179 HydrophobicContact CD2-CD1 4.03Å; A137-I179 WeakPolarHBondContact O-CA 3.29Å; F146-I179 HydrophobicContact CZ-CG2 4.5Å; L151-I179 HydrophobicContact CD1-CD1 3.81Å; L151-I179 HydrophobicContact CD2-CD1 3.8Å; L151-I179 HydrophobicContact CG-CD1 4.41Å; F175-I179 WeakPolarHBondContact O-CD1 3.37Å; F175-I179 WeakPolarHBondContact O-CG1 3.39Å; S176-I179 PolarHBondContact O-N 3.19Å; I179-L181 HydrophobicContact CG2-CD2 3.8Å
180Y98Very high94.8Very high63 Ų6363.4 Ų63.425%0.24733%0.331CS..EExtended strand (participates in β ladder)trans-86.5129.8177.5-61.2-93.9000108.9A137 L138 Y139 L201 R206 V207A137-Y180 PolarHBondContact O-N 2.88Å; L138-Y180 CarbonylContact C-O 3.42Å; L138-Y180 WeakPolarHBondContact CA-O 3.39Å; Y139-Y180 PolarHBondContact N-O 3.1Å; Y180-L201 HydrophobicContact CD1-CD1 4.03Å; Y180-L201 HydrophobicContact CD1-CD2 3.93Å; Y180-L201 HydrophobicContact CD2-CD1 4.3Å; Y180-L201 HydrophobicContact CD2-CD2 4.5Å; Y180-L201 HydrophobicContact CE1-CD2 3.77Å; Y180-L201 HydrophobicContact CE2-CD2 4.38Å; Y180-L201 HydrophobicContact CG-CD1 3.82Å; Y180-L201 HydrophobicContact CG-CD2 4.3Å; Y180-R206 HydrophobicContact CE2-CB 4.27Å; Y180-V207 HydrophobicContact CD2-CG2 3.44Å; Y180-V207 VanDerWaalsContact CD2-CG2 3.44Å; Y180-V207 HydrophobicContact CE2-CG2 3.8Å; Y180-V207 HydrophobicContact CG-CG2 4.36Å
181L97Very high94.6Very high86 Ų8664.6 Ų64.645%0.4534%0.336SS..EExtended strand (participates in β ladder)trans-110.1130.1-178.3-56.4-179.1000109.4F146 I179F146-L181 HydrophobicContact CB-CD1 4.17Å; F146-L181 HydrophobicContact CB-CD2 4.44Å; F146-L181 HydrophobicContact CD1-CD1 3.62Å; F146-L181 HydrophobicContact CD1-CD2 3.87Å; F146-L181 HydrophobicContact CD1-CG 4.42Å; F146-L181 HydrophobicContact CD2-CD2 3.51Å; F146-L181 HydrophobicContact CE1-CD1 4.14Å; F146-L181 HydrophobicContact CE1-CD2 3.93Å; F146-L181 HydrophobicContact CE2-CD2 3.57Å; F146-L181 HydrophobicContact CG-CD1 3.85Å; F146-L181 HydrophobicContact CG-CD2 3.66Å; F146-L181 HydrophobicContact CG-CG 4.38Å; F146-L181 HydrophobicContact CZ-CD2 3.79Å; I179-L181 HydrophobicContact CG2-CD2 3.8Å
182E95.8Very high94.6Very high50 Ų5064.6 Ų64.623%0.23433%0.325CS..EExtended strand (participates in β ladder)trans-127.6142.9173.9-80.5-77.3151.100109L138 Y139 I140 C141 R197L138-E182 HydrophobicContact CD1-CB 4.23Å; L138-E182 HydrophobicContact CD1-CG 3.77Å; Y139-E182 PolarHBondContact O-N 3.26Å; I140-E182 CarbonylContact C-O 3.49Å; I140-E182 WeakPolarHBondContact CA-O 3.5Å; I140-E182 HydrophobicContact CG1-CB 4.16Å; C141-E182 PolarHBondContact N-O 3.42Å; E182-R197 WeakPolarHBondContact OE1-CD 3.46Å; E182-R197 IonicContact OE1-NE 2.91Å; E182-R197 PolarHBondContact OE1-NE 3.26Å; E182-R197 IonicContact OE2-CZ 3.25Å; E182-R197 IonicContact OE2-NE 3.95Å; E182-R197 PolarHBondContact OE2-NE 2.8Å; E182-R197 IonicContact OE2-NH2 2.74Å; E182-R197 PolarHBondContact OE2-NH2 2.78Å
183H93.4Very high94.6Very high105 Ų10554.8 Ų54.849%0.48629%0.288SS..EExtended strand (participates in β ladder)trans-117.1118.9173.3-168.2-80.9000108.9C141C141-H183 CarbonylContact O-C 3.37Å; C141-H183 WeakPolarHBondContact O-CA 3.32Å
184A92.7Very high94.6Very high0 Ų053 Ų530%028%0.278CS..  trans-117.797.1179.700000109.2I140 C141 T142 D186 L190I140-A184 HydrophobicContact CG2-CB 3.96Å; C141-A184 PolarHBondContact O-N 3.18Å; T142-A184 VanDerWaalsContact CA-O 3.31Å; T142-A184 WeakPolarHBondContact CA-O 3.49Å; A184-D186 VanDerWaalsContact C-N 3.3Å; A184-D186 PolarHBondContact O-N 3.35Å; A184-L190 HydrophobicContact CB-CB 3.98Å; A184-L190 HydrophobicContact CB-CD1 4.4Å
185A87.7Confident94.6Very high65 Ų6548 Ų4854%0.53727%0.269SS..  trans-77.1-15.5-175.200000113.9L218A185-L218 WeakPolarHBondContact O-CD2 3.37Å
186D89.9Confident94.5Very high62 Ų6256.3 Ų56.333%0.33230%0.3SS..SBendtrans-145.4168-177.352.755.3000111A184 D188 S189 L190 E222A184-D186 VanDerWaalsContact C-N 3.3Å; A184-D186 PolarHBondContact O-N 3.35Å; D186-D188 VanDerWaalsContact C-N 3.34Å; D186-D188 PolarHBondContact O-N 3.44Å; D186-D188 PolarHBondContact OD1-N 2.75Å; D186-S189 PolarHBondContact O-N 2.7Å; D186-S189 WeakPolarHBondContact OD1-CA 3.28Å; D186-S189 WeakPolarHBondContact OD1-CB 3.32Å; D186-S189 PolarHBondContact OD1-N 3.37Å; D186-S189 PolarHBondContact OD1-OG 2.98Å; D186-S189 PolarHBondContact OD2-OG 2.88Å; D186-L190 PolarHBondContact O-N 3.42Å; D186-L190 VanDerWaalsContact O-N 3.1Å; D186-E222 VanDerWaalsContact CA-OE1 3.26Å; D186-E222 WeakPolarHBondContact CA-OE1 3.44Å
187L89.6Confident94.5Very high6 Ų657.6 Ų57.63%0.03130%0.295CS..Hα-helixtrans-59.6-39.2178.9-78.6-175.9000113.7L190 Q191 L218 F219 E222 F223 Q234 V238L187-L190 PolarHBondContact O-N 2.76Å; L187-Q191 WeakPolarHBondContact O-CG 3.5Å; L187-Q191 PolarHBondContact O-N 3.33Å; L187-L218 HydrophobicContact CD2-CB 3.97Å; L187-L218 HydrophobicContact CD2-CD1 4.19Å; L187-L218 HydrophobicContact CG-CB 4.33Å; L187-F219 HydrophobicContact CD1-CD1 4.43Å; L187-F219 HydrophobicContact CD1-CE1 3.92Å; L187-F219 HydrophobicContact CD1-CZ 4.16Å; L187-F219 HydrophobicContact CD2-CD2 4.2Å; L187-F219 HydrophobicContact CD2-CE1 4.02Å; L187-F219 HydrophobicContact CD2-CE2 3.55Å; L187-F219 HydrophobicContact CD2-CZ 3.45Å; L187-F219 VanDerWaalsContact CD2-CZ 3.45Å; L187-F219 HydrophobicContact CG-CZ 4.48Å; L187-E222 WeakPolarHBondContact CD1-OE2 3.42Å; L187-E222 WeakPolarHBondContact CG-OE2 3.36Å; L187-E222 PolarHBondContact N-OE1 3.37Å; L187-F223 HydrophobicContact CD1-CE2 3.61Å; L187-F223 HydrophobicContact CD1-CZ 3.62Å; L187-Q234 HydrophobicContact CD1-CB 3.9Å; L187-Q234 HydrophobicContact CD1-CG 4.22Å; L187-V238 HydrophobicContact CD2-CG2 4.43Å
188D91.8Very high94.5Very high116 Ų11652.2 Ų52.262%0.6227%0.266SS*.Hα-helixtrans-64.9-44.4-178.8-74.5-22.8000111D186 L190 Q191 V192D186-D188 VanDerWaalsContact C-N 3.34Å; D186-D188 PolarHBondContact O-N 3.44Å; D186-D188 PolarHBondContact OD1-N 2.75Å; D188-L190 VanDerWaalsContact C-N 3.3Å; D188-L190 PolarHBondContact O-N 3.43Å; D188-Q191 PolarHBondContact O-N 2.96Å; D188-V192 WeakPolarHBondContact O-CG2 3.5Å; D188-V192 PolarHBondContact O-N 3.44Å
189S93.8Very high94.5Very high39 Ų3950.6 Ų50.627%0.27326%0.261SS..Hα-helixtrans-61.1-39.9175.2-63.70000111.6D186 C193D186-S189 PolarHBondContact O-N 2.7Å; D186-S189 WeakPolarHBondContact OD1-CA 3.28Å; D186-S189 WeakPolarHBondContact OD1-CB 3.32Å; D186-S189 PolarHBondContact OD1-N 3.37Å; D186-S189 PolarHBondContact OD1-OG 2.98Å; D186-S189 PolarHBondContact OD2-OG 2.88Å; S189-C193 VanDerWaalsContact O-CB 3.28Å; S189-C193 WeakPolarHBondContact O-CB 3.28Å; S189-C193 PolarHBondContact O-N 2.91Å
190L94Very high94.4Very high1 Ų154.5 Ų54.51%0.00528%0.281CS..Hα-helixtrans-64.9-46174.817962000111.1I140 A184 D186 L187 D188 V192 C193 L194 V212 L218 V238I140-L190 HydrophobicContact CD1-CD1 4.37Å; I140-L190 HydrophobicContact CG2-CD1 3.98Å; A184-L190 HydrophobicContact CB-CB 3.98Å; A184-L190 HydrophobicContact CB-CD1 4.4Å; D186-L190 PolarHBondContact O-N 3.42Å; D186-L190 VanDerWaalsContact O-N 3.1Å; L187-L190 PolarHBondContact O-N 2.76Å; D188-L190 VanDerWaalsContact C-N 3.3Å; D188-L190 PolarHBondContact O-N 3.43Å; L190-V192 PolarHBondContact O-N 3.16Å; L190-C193 WeakPolarHBondContact O-CB 3.32Å; L190-C193 PolarHBondContact O-N 3.1Å; L190-L194 HydrophobicContact CD1-CD1 4.04Å; L190-L194 HydrophobicContact CD1-CG 4.09Å; L190-L194 HydrophobicContact CG-CD1 3.97Å; L190-L194 HydrophobicContact CG-CG 4.42Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.42Å; L190-L194 PolarHBondContact O-N 2.65Å; L190-V212 HydrophobicContact CD1-CG1 4.41Å; L190-L218 HydrophobicContact CB-CD1 4.05Å; L190-L218 HydrophobicContact CD2-CD1 3.7Å; L190-L218 HydrophobicContact CG-CD1 4.45Å; L190-V238 HydrophobicContact CD2-CG1 4.09Å
191Q94.2Very high94.4Very high36 Ų3652.4 Ų52.417%0.16827%0.274CS..Hα-helixtrans-62.4-41.6178.5-72.3-176.928.100112L187 D188 L194 S195 V238 M241L187-Q191 WeakPolarHBondContact O-CG 3.5Å; L187-Q191 PolarHBondContact O-N 3.33Å; D188-Q191 PolarHBondContact O-N 2.96Å; Q191-L194 PolarHBondContact O-N 2.73Å; Q191-S195 VanDerWaalsContact O-CB 3.27Å; Q191-S195 WeakPolarHBondContact O-CB 3.1Å; Q191-S195 PolarHBondContact O-N 2.85Å; Q191-S195 PolarHBondContact O-OG 3.35Å; Q191-V238 HydrophobicContact CG-CG2 4.19Å; Q191-M241 HydrophobicContact CB-CE 4.14Å; Q191-M241 HydrophobicContact CB-SD 4.13Å; Q191-M241 HydrophobicContact CG-CE 4.07Å; Q191-M241 HydrophobicContact CG-SD 4.04Å
192V95.6Very high94.4Very high58 Ų5848.9 Ų48.935%0.35226%0.256SS..Hα-helixtrans-64-42.7174.3170.80000111D188 L190 R196D188-V192 WeakPolarHBondContact O-CG2 3.5Å; D188-V192 PolarHBondContact O-N 3.44Å; L190-V192 PolarHBondContact O-N 3.16Å; V192-R196 WeakPolarHBondContact O-CB 3.33Å; V192-R196 PolarHBondContact O-N 3.05Å
193C96.6Very high94.5Very high0 Ų049.8 Ų49.80%027%0.272CS..Iπ-helixtrans-59.4-49.4176.8-1750000111.3S189 L190 R197 A198S189-C193 VanDerWaalsContact O-CB 3.28Å; S189-C193 WeakPolarHBondContact O-CB 3.28Å; S189-C193 PolarHBondContact O-N 2.91Å; L190-C193 WeakPolarHBondContact O-CB 3.32Å; L190-C193 PolarHBondContact O-N 3.1Å; C193-R197 PolarHBondContact O-N 3.36Å; C193-R197 VanDerWaalsContact O-N 3.07Å; C193-A198 WeakPolarHBondContact O-CB 3.29Å; C193-A198 PolarHBondContact O-N 3.27Å
194L95.9Very high94.6Very high0 Ų049.5 Ų49.50%027%0.271CS..Iπ-helixtrans-66.7-49.6-179.2-66.7172.8000112I140 L190 Q191 R196 V238 M241 V242 L245I140-L194 HydrophobicContact CD1-CD2 4Å; L190-L194 HydrophobicContact CD1-CD1 4.04Å; L190-L194 HydrophobicContact CD1-CG 4.09Å; L190-L194 HydrophobicContact CG-CD1 3.97Å; L190-L194 HydrophobicContact CG-CG 4.42Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.42Å; L190-L194 PolarHBondContact O-N 2.65Å; Q191-L194 PolarHBondContact O-N 2.73Å; L194-R196 PolarHBondContact O-N 3.43Å; L194-V238 HydrophobicContact CD1-CG1 4.02Å; L194-M241 HydrophobicContact CB-CB 4.49Å; L194-M241 HydrophobicContact CD1-CB 4.49Å; L194-V242 HydrophobicContact CD1-CG2 3.65Å; L194-V242 HydrophobicContact CD2-CG2 3.84Å; L194-V242 HydrophobicContact CG-CG2 4.35Å; L194-L245 HydrophobicContact CB-CD1 4.25Å; L194-L245 HydrophobicContact CD2-CD1 4.06Å
195S95.1Very high94.7Very high62 Ų6251.6 Ų51.643%0.43429%0.292SS..Iπ-helixtrans-72.5-27.9-173.860.60000114.2Q191Q191-S195 VanDerWaalsContact O-CB 3.27Å; Q191-S195 WeakPolarHBondContact O-CB 3.1Å; Q191-S195 PolarHBondContact O-N 2.85Å; Q191-S195 PolarHBondContact O-OG 3.35Å
196R95.3Very high95.2Very high182 Ų18254.8 Ų54.869%0.68729%0.29SS*.Iπ-helixtrans-114.3-61-176.1-59.4-174.3179.2-173-1.2112.8V192 L194 L200V192-R196 WeakPolarHBondContact O-CB 3.33Å; V192-R196 PolarHBondContact O-N 3.05Å; L194-R196 PolarHBondContact O-N 3.43Å; R196-L200 VanDerWaalsContact O-CB 3.28Å; R196-L200 WeakPolarHBondContact O-CB 3.4Å; R196-L200 PolarHBondContact O-N 2.95Å
197R95.8Very high95.6Very high92 Ų9251.9 Ų51.935%0.34728%0.275SS..Iπ-helixtrans-73.7-48.4-168.8-65-171.6-77.7-109.6-0.1112E182 C193 L200 L201E182-R197 WeakPolarHBondContact OE1-CD 3.46Å; E182-R197 IonicContact OE1-NE 2.91Å; E182-R197 PolarHBondContact OE1-NE 3.26Å; E182-R197 IonicContact OE2-CZ 3.25Å; E182-R197 IonicContact OE2-NE 3.95Å; E182-R197 PolarHBondContact OE2-NE 2.8Å; E182-R197 IonicContact OE2-NH2 2.74Å; E182-R197 PolarHBondContact OE2-NH2 2.78Å; C193-R197 PolarHBondContact O-N 3.36Å; C193-R197 VanDerWaalsContact O-N 3.07Å; R197-L200 PolarHBondContact O-N 3.26Å; R197-L201 WeakPolarHBondContact O-CG 3.18Å; R197-L201 PolarHBondContact O-N 2.77Å
198A97.3Very high95.9Very high0 Ų054.7 Ų54.70%029%0.285CS..Iπ-helixtrans-61.8-48.1175.400000110.9L138 C193 L200 L201 L202 L245L138-A198 HydrophobicContact CD2-CB 3.5Å; C193-A198 WeakPolarHBondContact O-CB 3.29Å; C193-A198 PolarHBondContact O-N 3.27Å; A198-L200 VanDerWaalsContact C-N 3.31Å; A198-L200 PolarHBondContact O-N 3.4Å; A198-L201 PolarHBondContact O-N 2.81Å; A198-L202 WeakPolarHBondContact O-CB 3.4Å; A198-L202 WeakPolarHBondContact O-CD1 3.33Å; A198-L202 WeakPolarHBondContact O-CG 3.36Å; A198-L202 PolarHBondContact O-N 3.12Å; A198-L245 HydrophobicContact CB-CD1 3.9Å
199A96.4Very high96.2Very high23 Ų2349.1 Ų49.119%0.1926%0.256CS..Hα-helixtrans-55.1-44175.800000112.4A203 L245A199-A203 WeakPolarHBondContact O-CB 3.47Å; A199-A203 PolarHBondContact O-N 3.31Å; A199-L245 HydrophobicContact CB-CD2 3.94Å
200L97.4Very high96.5Very high99 Ų9947.3 Ų47.352%0.51824%0.243SC..Hα-helixtrans-62.7-49.5177.3-172.494.5000112.1R196 R197 A198 L202 A203 Q204R196-L200 VanDerWaalsContact O-CB 3.28Å; R196-L200 WeakPolarHBondContact O-CB 3.4Å; R196-L200 PolarHBondContact O-N 2.95Å; R197-L200 PolarHBondContact O-N 3.26Å; A198-L200 VanDerWaalsContact C-N 3.31Å; A198-L200 PolarHBondContact O-N 3.4Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 2.82Å; L200-A203 PolarHBondContact O-N 2.87Å; L200-Q204 WeakPolarHBondContact O-CB 3.46Å; L200-Q204 VanDerWaalsContact O-CG 3.28Å; L200-Q204 WeakPolarHBondContact O-CG 3.47Å; L200-Q204 PolarHBondContact O-N 3.23Å
201L97.9Very high96.6Very high19 Ų1947.2 Ų47.210%0.09924%0.242CC..Hα-helixtrans-64.5-37.5-178.6-71.1172.9000112.2L138 Y180 R197 A198 G205 R206 V207L138-L201 HydrophobicContact CD1-CD1 4.21Å; Y180-L201 HydrophobicContact CD1-CD1 4.03Å; Y180-L201 HydrophobicContact CD1-CD2 3.93Å; Y180-L201 HydrophobicContact CD2-CD1 4.3Å; Y180-L201 HydrophobicContact CD2-CD2 4.5Å; Y180-L201 HydrophobicContact CE1-CD2 3.77Å; Y180-L201 HydrophobicContact CE2-CD2 4.38Å; Y180-L201 HydrophobicContact CG-CD1 3.82Å; Y180-L201 HydrophobicContact CG-CD2 4.3Å; R197-L201 WeakPolarHBondContact O-CG 3.18Å; R197-L201 PolarHBondContact O-N 2.77Å; A198-L201 PolarHBondContact O-N 2.81Å; L201-G205 PolarHBondContact O-N 2.91Å; L201-R206 HydrophobicContact CD2-CB 4.3Å; L201-R206 PolarHBondContact O-N 3.31Å; L201-V207 HydrophobicContact CB-CB 4.13Å; L201-V207 HydrophobicContact CB-CG2 3.93Å; L201-V207 HydrophobicContact CD1-CG2 4.2Å; L201-V207 PolarHBondContact O-N 2.84Å
202L97Very high96.6Very high11 Ų1145.5 Ų45.56%0.05823%0.234CC..Hα-helixtrans-68.5-45.5175.1-70.9164.8000111.4A198 L200 Q204 G205 V207 V210 L245 F249 T251A198-L202 WeakPolarHBondContact O-CB 3.4Å; A198-L202 WeakPolarHBondContact O-CD1 3.33Å; A198-L202 WeakPolarHBondContact O-CG 3.36Å; A198-L202 PolarHBondContact O-N 3.12Å; L200-L202 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 2.82Å; L202-Q204 VanDerWaalsContact C-N 3.27Å; L202-Q204 PolarHBondContact O-N 3.28Å; L202-G205 PolarHBondContact O-N 3.44Å; L202-V207 HydrophobicContact CD2-CG1 4.24Å; L202-V207 WeakPolarHBondContact CD2-O 3.32Å; L202-V210 HydrophobicContact CD1-CG2 4.27Å; L202-L245 HydrophobicContact CD1-CB 4.08Å; L202-L245 HydrophobicContact CD1-CD1 4.42Å; L202-L245 HydrophobicContact CD1-CD2 3.99Å; L202-L245 HydrophobicContact CD1-CG 4.39Å; L202-F249 HydrophobicContact CB-CB 4.06Å; L202-F249 HydrophobicContact CB-CD1 3.75Å; L202-F249 HydrophobicContact CB-CD2 3.68Å; L202-F249 HydrophobicContact CB-CE1 4.11Å; L202-F249 HydrophobicContact CB-CE2 4.05Å; L202-F249 HydrophobicContact CB-CG 3.53Å; L202-F249 HydrophobicContact CB-CZ 4.25Å; L202-F249 HydrophobicContact CD1-CB 4.45Å; L202-F249 HydrophobicContact CD1-CD2 3.72Å; L202-F249 HydrophobicContact CD1-CE2 4.3Å; L202-F249 HydrophobicContact CD1-CG 4.21Å; L202-F249 HydrophobicContact CD2-CB 4.19Å; L202-F249 HydrophobicContact CG-CB 4.48Å; L202-F249 HydrophobicContact CG-CD2 4.26Å; L202-F249 HydrophobicContact CG-CG 4.31Å; L202-T251 HydrophobicContact CD1-CG2 4.25Å; L202-T251 HydrophobicContact CD2-CG2 3.72Å
203A96.7Very high96.4Very high69 Ų6943.5 Ų43.557%0.5722%0.221SC*.Hα-helixtrans-63.4-32.9178.100000112.8A199 L200 G205 F249A199-A203 WeakPolarHBondContact O-CB 3.47Å; A199-A203 PolarHBondContact O-N 3.31Å; L200-A203 PolarHBondContact O-N 2.87Å; A203-G205 PolarHBondContact O-N 3.29Å; A203-F249 HydrophobicContact CB-CE1 3.79Å; A203-F249 HydrophobicContact CB-CZ 4.15Å
204Q96.8Very high95.6Very high99 Ų9943.5 Ų43.546%0.46322%0.221SC..THydrogen-bonded Turntrans-78.3-5.1173.8-69.3176.4-5.400113.4L200 L202 R206L200-Q204 WeakPolarHBondContact O-CB 3.46Å; L200-Q204 VanDerWaalsContact O-CG 3.28Å; L200-Q204 WeakPolarHBondContact O-CG 3.47Å; L200-Q204 PolarHBondContact O-N 3.23Å; L202-Q204 VanDerWaalsContact C-N 3.27Å; L202-Q204 PolarHBondContact O-N 3.28Å; Q204-R206 HydrophobicContact CB-CG 4Å; Q204-R206 PolarHBondContact O-N 2.74Å; Q204-R206 VanDerWaalsContact OE1-NE 3.15Å
205G95.1Very high94.5Very high44 Ų4443.5 Ų43.545%0.45422%0.222SC..THydrogen-bonded Turntrans68.110.3-175.700000114.4L201 L202 A203 V207L201-G205 PolarHBondContact O-N 2.91Å; L202-G205 PolarHBondContact O-N 3.44Å; A203-G205 PolarHBondContact O-N 3.29Å; G205-V207 VanDerWaalsContact C-N 3.32Å
206R97.2Very high93.5Very high132 Ų13241.2 Ų41.250%0.49821%0.207SC..SBendtrans-71.8-30.1179.8-69.4-177.9177.4-167.24.1112G136 Y180 L201 Q204G136-R206 VanDerWaalsContact CA-O 3.28Å; G136-R206 WeakPolarHBondContact CA-O 3.42Å; G136-R206 PolarHBondContact N-O 3.3Å; Y180-R206 HydrophobicContact CE2-CB 4.27Å; L201-R206 HydrophobicContact CD2-CB 4.3Å; L201-R206 PolarHBondContact O-N 3.31Å; Q204-R206 HydrophobicContact CB-CG 4Å; Q204-R206 PolarHBondContact O-N 2.74Å; Q204-R206 VanDerWaalsContact OE1-NE 3.15Å
207V97.8Very high92.4Very high2 Ų232.9 Ų32.91%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-123.8142.9-179.7169.50000109.8G136 L138 Y180 L201 L202 G205 L209G136-V207 CarbonylContact O-C 3.34Å; G136-V207 VanDerWaalsContact O-CA 3.31Å; G136-V207 WeakPolarHBondContact O-CA 3.44Å; L138-V207 HydrophobicContact CB-CG1 3.97Å; L138-V207 HydrophobicContact CB-CG2 4.32Å; Y180-V207 HydrophobicContact CD2-CG2 3.44Å; Y180-V207 VanDerWaalsContact CD2-CG2 3.44Å; Y180-V207 HydrophobicContact CE2-CG2 3.8Å; Y180-V207 HydrophobicContact CG-CG2 4.36Å; L201-V207 HydrophobicContact CB-CB 4.13Å; L201-V207 HydrophobicContact CB-CG2 3.93Å; L201-V207 HydrophobicContact CD1-CG2 4.2Å; L201-V207 PolarHBondContact O-N 2.84Å; L202-V207 HydrophobicContact CD2-CG1 4.24Å; L202-V207 WeakPolarHBondContact CD2-O 3.32Å; G205-V207 VanDerWaalsContact C-N 3.32Å; V207-L209 WeakPolarHBondContact CG1-O 3.49Å
208R97.1Very high91.7Very high64 Ų6428.8 Ų28.824%0.24216%0.161CC..EExtended strand (participates in β ladder)trans-138.728.7167.1-63-170.773.3-171.93112.7V124 L133 A135 G136 T250 T251 P252V124-R208 HydrophobicContact CG2-CB 4.27Å; L133-R208 HydrophobicContact CB-CB 4.03Å; L133-R208 HydrophobicContact CD1-CB 4.01Å; L133-R208 WeakPolarHBondContact CD1-O 3.08Å; A135-R208 HydrophobicContact CB-CB 3.81Å; A135-R208 HydrophobicContact CB-CG 3.5Å; A135-R208 VanDerWaalsContact CB-CG 3.5Å; G136-R208 PolarHBondContact O-N 2.9Å; R208-T250 PolarHBondContact NH2-O 3.26Å; R208-T251 WeakPolarHBondContact CA-OG1 3.3Å; R208-T251 PolarHBondContact O-OG1 2.91Å; R208-P252 WeakPolarHBondContact O-CD 3.38Å; R208-P252 WeakPolarHBondContact O-CG 3.27Å
209L98.4Very high90.8Very high0 Ų028.8 Ų28.80%016%0.161CC..EExtended strand (participates in β ladder)trans-151.4130168.5169.867000108.1L82 L120 V124 A137 L138 V207 V211 T251 P252 F254L82-L209 HydrophobicContact CD2-CB 4.39Å; L82-L209 HydrophobicContact CD2-CD1 3.88Å; L82-L209 HydrophobicContact CD2-CD2 4Å; L82-L209 HydrophobicContact CD2-CG 4.31Å; L120-L209 VanDerWaalsContact C-CD2 3.49Å; L120-L209 HydrophobicContact CB-CD2 3.79Å; L120-L209 WeakPolarHBondContact O-CD2 3.3Å; V124-L209 HydrophobicContact CB-CB 4.04Å; V124-L209 HydrophobicContact CB-CD2 4.27Å; V124-L209 HydrophobicContact CG1-CB 4.07Å; V124-L209 HydrophobicContact CG1-CD2 4.13Å; V124-L209 HydrophobicContact CG2-CB 3.81Å; A137-L209 CarbonylContact C-O 3.54Å; A137-L209 WeakPolarHBondContact CA-O 3.36Å; A137-L209 HydrophobicContact CB-CB 4.23Å; A137-L209 HydrophobicContact CB-CD2 4.08Å; A137-L209 HydrophobicContact CB-CG 4.38Å; L138-L209 PolarHBondContact N-O 3.47Å; V207-L209 WeakPolarHBondContact CG1-O 3.49Å; L209-V211 HydrophobicContact CD1-CG2 4.18Å; L209-V211 HydrophobicContact CD2-CG2 3.8Å; L209-V211 HydrophobicContact CG-CG2 3.84Å; L209-T251 PolarHBondContact N-OG1 2.87Å; L209-P252 HydrophobicContact CD1-CB 4.28Å; L209-P252 HydrophobicContact CD1-CG 3.98Å; L209-F254 HydrophobicContact CD1-CB 4.31Å
210V98.2Very high89.6Confident0 Ų035.9 Ų35.90%018%0.183CC..EExtended strand (participates in β ladder)trans-111.4122.7168.6-176.50000108.2L138 I140 L202 V212 P252 V253 F254L138-V210 HydrophobicContact CD2-CG1 4.42Å; L138-V210 CarbonylContact O-C 3.57Å; L138-V210 WeakPolarHBondContact O-CA 3.31Å; I140-V210 HydrophobicContact CD1-CG1 4.12Å; L202-V210 HydrophobicContact CD1-CG2 4.27Å; V210-V212 HydrophobicContact CG1-CG2 4.22Å; V210-P252 PolarHBondContact N-O 3.4Å; V210-V253 HydrophobicContact CB-CG1 4.16Å; V210-V253 HydrophobicContact CB-CG2 4.21Å; V210-V253 HydrophobicContact CG1-CG1 4.39Å; V210-V253 CarbonylContact O-C 3.57Å; V210-V253 WeakPolarHBondContact O-CA 3.47Å; V210-F254 PolarHBondContact O-N 3.45Å
211V97.4Very high88.3Confident0 Ų036.2 Ų36.20%019%0.193CC..EExtended strand (participates in β ladder)trans-110132.8173.3-176.50000108.5L138 Y139 I140 L209 F254L138-V211 PolarHBondContact O-N 3.18Å; Y139-V211 HydrophobicContact CD2-CB 3.75Å; Y139-V211 HydrophobicContact CD2-CG1 3.75Å; Y139-V211 HydrophobicContact CD2-CG2 4.29Å; Y139-V211 HydrophobicContact CE2-CB 4.08Å; Y139-V211 HydrophobicContact CE2-CG1 3.53Å; Y139-V211 HydrophobicContact CG-CB 4.29Å; Y139-V211 HydrophobicContact CG-CG1 4.46Å; I140-V211 PolarHBondContact N-O 2.77Å; L209-V211 HydrophobicContact CD1-CG2 4.18Å; L209-V211 HydrophobicContact CD2-CG2 3.8Å; L209-V211 HydrophobicContact CG-CG2 3.84Å; V211-F254 WeakPolarHBondContact CA-O 3.35Å; V211-F254 HydrophobicContact CG1-CD1 4.33Å; V211-F254 HydrophobicContact CG2-CB 4.41Å
212V94.7Very high87.1Confident0 Ų039.1 Ų39.10%021%0.206CC..EExtended strand (participates in β ladder)trans-123.3115.5175.1-170.90000109.5I140 L190 V210 V215 F254 Y255 L256I140-V212 HydrophobicContact CB-CG1 4.43Å; I140-V212 HydrophobicContact CB-CG2 4.44Å; I140-V212 HydrophobicContact CD1-CG2 4.2Å; L190-V212 HydrophobicContact CD1-CG1 4.41Å; V210-V212 HydrophobicContact CG1-CG2 4.22Å; V212-V215 HydrophobicContact CB-CG2 4.35Å; V212-V215 HydrophobicContact CG1-CG2 3.59Å; V212-F254 PolarHBondContact N-O 3.35Å; V212-Y255 HydrophobicContact CB-CD1 3.59Å; V212-Y255 HydrophobicContact CB-CE1 3.56Å; V212-Y255 HydrophobicContact CG1-CD1 4.16Å; V212-Y255 HydrophobicContact CG1-CE1 3.94Å; V212-Y255 HydrophobicContact CG2-CD1 4.08Å; V212-Y255 HydrophobicContact CG2-CE1 3.62Å; V212-L256 PolarHBondContact O-N 3.42Å
213D91.4Very high86.2Confident15 Ų1540.1 Ų40.18%0.0821%0.21CC..EExtended strand (participates in β ladder)trans-126.594.7-176.6-168.213.6000110.4T114 Y139 I140 C141 T142 L256T114-D213 PolarHBondContact OG1-OD2 3.27Å; Y139-D213 HydrophobicContact CE1-CB 3.6Å; Y139-D213 WeakPolarHBondContact OH-CB 3.49Å; Y139-D213 PolarHBondContact OH-OD2 2.89Å; I140-D213 PolarHBondContact O-N 3.44Å; C141-D213 CarbonylContact C-O 3.58Å; C141-D213 WeakPolarHBondContact CA-O 3.34Å; T142-D213 PolarHBondContact N-O 2.98Å; T142-D213 PolarHBondContact OG1-O 3.49Å; D213-L256 HydrophobicContact CB-CB 4.24Å; D213-L256 HydrophobicContact CB-CD1 3.88Å; D213-L256 HydrophobicContact CB-CG 4.35Å
214S79.9Confident85.2Confident0 Ų043.7 Ų43.70%021%0.214CC..  cis-132.9147.7-1.171.20000110.5T142 A216 L256T142-S214 PolarHBondContact OG1-N 3.1Å; T142-S214 PolarHBondContact OG1-O 3.36Å; S214-A216 VanDerWaalsContact C-N 3.29Å; S214-A216 PolarHBondContact O-N 2.93Å; S214-L256 WeakPolarHBondContact CA-O 3.27Å; S214-L256 WeakPolarHBondContact CB-O 3.47Å
215V72.8Confident83.9Confident1 Ų145.3 Ų45.31%0.00623%0.234CC..Hα-helixtrans-69.7-30.5176.7171.10000112.3V212 A217 L218 F219 Y255 L281V212-V215 HydrophobicContact CB-CG2 4.35Å; V212-V215 HydrophobicContact CG1-CG2 3.59Å; V215-A217 PolarHBondContact O-N 2.93Å; V215-A217 VanDerWaalsContact O-N 3.13Å; V215-L218 PolarHBondContact O-N 3.46Å; V215-F219 HydrophobicContact CG1-CD2 3.53Å; V215-F219 HydrophobicContact CG1-CE2 3.51Å; V215-F219 WeakPolarHBondContact O-CD2 3.1Å; V215-Y255 HydrophobicContact CB-CD1 4.26Å; V215-Y255 HydrophobicContact CB-CE1 4.33Å; V215-Y255 HydrophobicContact CG2-CD1 3.4Å; V215-Y255 VanDerWaalsContact CG2-CD1 3.4Å; V215-Y255 HydrophobicContact CG2-CE1 3.15Å; V215-L281 HydrophobicContact CG1-CD1 4.28Å
216A73.1Confident83Confident14 Ų1446.2 Ų46.212%0.11624%0.243CC..Hα-helixtrans-54-37.4-176.900000112.8S214 R220 F257S214-A216 VanDerWaalsContact C-N 3.29Å; S214-A216 PolarHBondContact O-N 2.93Å; A216-R220 VanDerWaalsContact O-CB 3.26Å; A216-R220 WeakPolarHBondContact O-CB 3.27Å; A216-R220 PolarHBondContact O-N 2.96Å; A216-F257 HydrophobicContact CB-CD1 4.47Å; A216-F257 HydrophobicContact CB-CD2 3.93Å; A216-F257 HydrophobicContact CB-CE1 4.06Å; A216-F257 HydrophobicContact CB-CE2 3.46Å; A216-F257 VanDerWaalsContact CB-CE2 3.46Å; A216-F257 HydrophobicContact CB-CG 4.4Å; A216-F257 HydrophobicContact CB-CZ 3.52Å
217A73Confident82.2Confident6 Ų643.3 Ų43.35%0.0524%0.237CC..Hα-helixtrans-57.6-54.3-177.900000113.7E143 V215 F219 R220 C221E143-A217 HydrophobicContact CG-CB 3.15Å; E143-A217 WeakPolarHBondContact OE1-CB 3.46Å; V215-A217 PolarHBondContact O-N 2.93Å; V215-A217 VanDerWaalsContact O-N 3.13Å; A217-F219 VanDerWaalsContact C-N 3.3Å; A217-F219 PolarHBondContact O-N 2.67Å; A217-R220 PolarHBondContact O-N 3.41Å; A217-R220 VanDerWaalsContact O-N 3.11Å; A217-C221 PolarHBondContact O-N 3.41Å; A217-C221 VanDerWaalsContact O-N 3.08Å; A217-C221 PolarHBondContact O-SG 3.5Å
218L80.4Confident81.3Confident6 Ų650.7 Ų50.73%0.03127%0.265CS..Hα-helixtrans-61.1-43.9-175-58.8180000110.3T142 A185 L187 L190 V215 R220 E222T142-L218 HydrophobicContact CG2-CD1 3.83Å; T142-L218 HydrophobicContact CG2-CD2 4.44Å; T142-L218 HydrophobicContact CG2-CG 4.08Å; A185-L218 WeakPolarHBondContact O-CD2 3.37Å; L187-L218 HydrophobicContact CD2-CB 3.97Å; L187-L218 HydrophobicContact CD2-CD1 4.19Å; L187-L218 HydrophobicContact CG-CB 4.33Å; L190-L218 HydrophobicContact CB-CD1 4.05Å; L190-L218 HydrophobicContact CD2-CD1 3.7Å; L190-L218 HydrophobicContact CG-CD1 4.45Å; V215-L218 PolarHBondContact O-N 3.46Å; L218-R220 VanDerWaalsContact C-N 3.34Å; L218-R220 PolarHBondContact O-N 2.9Å; L218-E222 VanDerWaalsContact O-CB 3.32Å; L218-E222 WeakPolarHBondContact O-CB 3.41Å; L218-E222 WeakPolarHBondContact O-CG 3.47Å; L218-E222 PolarHBondContact O-N 3.19Å; L218-E222 VanDerWaalsContact O-N 3.16Å
219F77.7Confident80.6Confident0 Ų053.1 Ų53.10%028%0.282CS..Hα-helixtrans-76.3-17.8179.8-71.5-81.3000114.5L187 V215 A217 F223 R231 Q234 L235 V238 L281L187-F219 HydrophobicContact CD1-CD1 4.43Å; L187-F219 HydrophobicContact CD1-CE1 3.92Å; L187-F219 HydrophobicContact CD1-CZ 4.16Å; L187-F219 HydrophobicContact CD2-CD2 4.2Å; L187-F219 HydrophobicContact CD2-CE1 4.02Å; L187-F219 HydrophobicContact CD2-CE2 3.55Å; L187-F219 HydrophobicContact CD2-CZ 3.45Å; L187-F219 VanDerWaalsContact CD2-CZ 3.45Å; L187-F219 HydrophobicContact CG-CZ 4.48Å; V215-F219 HydrophobicContact CG1-CD2 3.53Å; V215-F219 HydrophobicContact CG1-CE2 3.51Å; V215-F219 WeakPolarHBondContact O-CD2 3.1Å; A217-F219 VanDerWaalsContact C-N 3.3Å; A217-F219 PolarHBondContact O-N 2.67Å; F219-F223 HydrophobicContact CD1-CD2 4.11Å; F219-F223 AromaticContact CD1-CE2 3.64Å; F219-F223 HydrophobicContact CD1-CE2 3.64Å; F219-F223 HydrophobicContact CE1-CE2 4.11Å; F219-R231 HydrophobicContact CD1-CG 4.02Å; F219-Q234 HydrophobicContact CE1-CB 3.88Å; F219-Q234 HydrophobicContact CZ-CB 4.43Å; F219-L235 HydrophobicContact CD1-CB 4.35Å; F219-L235 HydrophobicContact CE1-CB 3.72Å; F219-L235 VanDerWaalsContact CZ-CA 3.48Å; F219-L235 HydrophobicContact CZ-CB 3.93Å; F219-V238 HydrophobicContact CZ-CG2 4.27Å; F219-L281 HydrophobicContact CB-CD2 3.76Å; F219-L281 HydrophobicContact CD2-CD2 4.48Å; F219-L281 HydrophobicContact CG-CD2 4.15Å
220R72.6Confident80Confident173 Ų17356.7 Ų56.765%0.65330%0.299SS*.Hα-helixtrans-82.4-37.5176.2-175.9179.7-177.1-173.41.8111.7A216 A217 L218A216-R220 VanDerWaalsContact O-CB 3.26Å; A216-R220 WeakPolarHBondContact O-CB 3.27Å; A216-R220 PolarHBondContact O-N 2.96Å; A217-R220 PolarHBondContact O-N 3.41Å; A217-R220 VanDerWaalsContact O-N 3.11Å; L218-R220 VanDerWaalsContact C-N 3.34Å; L218-R220 PolarHBondContact O-N 2.9Å
221C69.6Low79.4Confident106 Ų10659.8 Ų59.872%0.71631%0.31SS*.Hα-helixtrans-89.3-30.8-173.5-63.70000113.1A217A217-C221 PolarHBondContact O-N 3.41Å; A217-C221 VanDerWaalsContact O-N 3.08Å; A217-C221 PolarHBondContact O-SG 3.5Å
222E73.4Confident78.7Confident80 Ų8062 Ų6237%0.37432%0.322SS..SBendtrans-86.3-20-173-69.3-178.4-165.400114.8D186 L187 L218D186-E222 VanDerWaalsContact CA-OE1 3.26Å; D186-E222 WeakPolarHBondContact CA-OE1 3.44Å; L187-E222 WeakPolarHBondContact CD1-OE2 3.42Å; L187-E222 WeakPolarHBondContact CG-OE2 3.36Å; L187-E222 PolarHBondContact N-OE1 3.37Å; L218-E222 VanDerWaalsContact O-CB 3.32Å; L218-E222 WeakPolarHBondContact O-CB 3.41Å; L218-E222 WeakPolarHBondContact O-CG 3.47Å; L218-E222 PolarHBondContact O-N 3.19Å; L218-E222 VanDerWaalsContact O-N 3.16Å
223F76.3Confident78.3Confident31 Ų3167.4 Ų67.414%0.13635%0.346CS..  trans-119.1131.4-172.1-60.7-83.2000112.5L187 F219 D227 E230 R231 Q234L187-F223 HydrophobicContact CD1-CE2 3.61Å; L187-F223 HydrophobicContact CD1-CZ 3.62Å; F219-F223 HydrophobicContact CD1-CD2 4.11Å; F219-F223 AromaticContact CD1-CE2 3.64Å; F219-F223 HydrophobicContact CD1-CE2 3.64Å; F219-F223 HydrophobicContact CE1-CE2 4.11Å; F223-D227 HydrophobicContact CB-CB 4.27Å; F223-D227 HydrophobicContact CD1-CB 3.99Å; F223-E230 HydrophobicContact CE1-CB 4.37Å; F223-E230 HydrophobicContact CE1-CG 4.17Å; F223-R231 HydrophobicContact CB-CB 4.09Å; F223-R231 HydrophobicContact CB-CG 4.23Å; F223-R231 HydrophobicContact CD1-CB 3.71Å; F223-R231 HydrophobicContact CD1-CG 4.42Å; F223-R231 HydrophobicContact CD2-CB 4.05Å; F223-R231 HydrophobicContact CD2-CG 3.84Å; F223-R231 HydrophobicContact CE1-CB 4.15Å; F223-R231 HydrophobicContact CE2-CB 4.46Å; F223-R231 HydrophobicContact CE2-CG 4.33Å; F223-R231 HydrophobicContact CG-CB 3.66Å; F223-R231 HydrophobicContact CG-CG 3.89Å; F223-Q234 HydrophobicContact CZ-CB 4.16Å; F223-Q234 HydrophobicContact CZ-CG 4.03Å
224Q76Confident78.2Confident144 Ų14468.6 Ų68.667%0.67335%0.351SS*.  trans-78162169.5-59-170.91.600110.3G226 D227Q224-G226 PolarHBondContact O-N 2.92Å; Q224-D227 WeakPolarHBondContact CB-OD2 3.23Å; Q224-D227 PolarHBondContact N-OD2 2.85Å; Q224-D227 PolarHBondContact O-N 3.4Å
225P70.4Confident78.5Confident134 Ų13468.6 Ų68.687%0.8735%0.351SS*.G310 helixtrans-55.1-26.6178.3-27.135.4000114.6
226G74.9Confident79.2Confident62 Ų6272.2 Ų72.264%0.63937%0.37SS*.G310 helixtrans-73.8-21.5176.100000114.7Q224 W228Q224-G226 PolarHBondContact O-N 2.92Å; G226-W228 PolarHBondContact O-N 2.96Å
227D81.4Confident80Confident71 Ų7173.9 Ų73.938%0.3838%0.378SS..G310 helixtrans-89.524.6-172.1-55.9-41.3000113F223 Q224 L229 E230 R231F223-D227 HydrophobicContact CB-CB 4.27Å; F223-D227 HydrophobicContact CD1-CB 3.99Å; Q224-D227 WeakPolarHBondContact CB-OD2 3.23Å; Q224-D227 PolarHBondContact N-OD2 2.85Å; Q224-D227 PolarHBondContact O-N 3.4Å; D227-L229 PolarHBondContact O-N 3.47Å; D227-L229 VanDerWaalsContact O-N 3.1Å; D227-E230 PolarHBondContact O-N 2.97Å; D227-R231 VanDerWaalsContact O-CB 3.28Å; D227-R231 WeakPolarHBondContact O-CB 3.44Å; D227-R231 PolarHBondContact O-N 3.17Å
228W78.6Confident80.9Confident158 Ų15873.6 Ų73.660%0.59838%0.376SS*.Hα-helixtrans-56.2-33.8-172.573.8-91.5000113G226 N232G226-W228 PolarHBondContact O-N 2.96Å; W228-N232 VanDerWaalsContact O-CB 3.27Å; W228-N232 WeakPolarHBondContact O-CB 3.5Å; W228-N232 VanDerWaalsContact O-CG 3.22Å; W228-N232 PolarHBondContact O-N 3.33Å; W228-N232 PolarHBondContact O-ND2 2.85Å
229L83.4Confident81.3Confident115 Ų11573.4 Ų73.460%0.60238%0.375SS*.Hα-helixtrans-69.5-50.6-178.9-177.864.4000111.4D227 N232 K233D227-L229 PolarHBondContact O-N 3.47Å; D227-L229 VanDerWaalsContact O-N 3.1Å; L229-N232 PolarHBondContact O-N 2.88Å; L229-K233 WeakPolarHBondContact O-CB 3.49Å; L229-K233 PolarHBondContact O-N 3.43Å
230E85.5Confident81.9Confident75 Ų7577.1 Ų77.135%0.3540%0.401SS..Hα-helixtrans-67.7-40.3178.7-170.458.4-14600110.3F223 D227 N232 K233 Q234F223-E230 HydrophobicContact CE1-CB 4.37Å; F223-E230 HydrophobicContact CE1-CG 4.17Å; D227-E230 PolarHBondContact O-N 2.97Å; E230-N232 VanDerWaalsContact C-N 3.34Å; E230-N232 PolarHBondContact O-N 3.48Å; E230-K233 WeakPolarHBondContact O-CB 3.31Å; E230-K233 PolarHBondContact O-N 3.43Å; E230-K233 IonicContact OE1-NZ 3.54Å; E230-K233 PolarHBondContact OE1-NZ 3.14Å; E230-K233 IonicContact OE2-NZ 3.54Å; E230-K233 PolarHBondContact OE2-NZ 3.13Å; E230-Q234 HydrophobicContact CG-CG 4.37Å; E230-Q234 WeakPolarHBondContact O-CG 3.36Å; E230-Q234 PolarHBondContact O-N 3.34Å; E230-Q234 PolarHBondContact OE1-NE2 3.03Å
231R84Confident82.9Confident65 Ų6571.2 Ų71.225%0.24538%0.382CS..Hα-helixtrans-53.2-50.2171.9-177.4179.7166.9174-6.4111.8F219 F223 D227 Q234 L235 A280F219-R231 HydrophobicContact CD1-CG 4.02Å; F223-R231 HydrophobicContact CB-CB 4.09Å; F223-R231 HydrophobicContact CB-CG 4.23Å; F223-R231 HydrophobicContact CD1-CB 3.71Å; F223-R231 HydrophobicContact CD1-CG 4.42Å; F223-R231 HydrophobicContact CD2-CB 4.05Å; F223-R231 HydrophobicContact CD2-CG 3.84Å; F223-R231 HydrophobicContact CE1-CB 4.15Å; F223-R231 HydrophobicContact CE2-CB 4.46Å; F223-R231 HydrophobicContact CE2-CG 4.33Å; F223-R231 HydrophobicContact CG-CB 3.66Å; F223-R231 HydrophobicContact CG-CG 3.89Å; D227-R231 VanDerWaalsContact O-CB 3.28Å; D227-R231 WeakPolarHBondContact O-CB 3.44Å; D227-R231 PolarHBondContact O-N 3.17Å; R231-Q234 PolarHBondContact O-N 2.97Å; R231-L235 VanDerWaalsContact O-CB 3.23Å; R231-L235 WeakPolarHBondContact O-CB 3.19Å; R231-L235 PolarHBondContact O-N 2.93Å; R231-A280 PolarHBondContact NH2-O 2.92Å
232N83.3Confident84Confident46 Ų4666.3 Ų66.325%0.24635%0.348CS..Hα-helixtrans-64.8-40.1179.2-81.2-15.8000112.1W228 L229 E230 L235 L236W228-N232 VanDerWaalsContact O-CB 3.27Å; W228-N232 WeakPolarHBondContact O-CB 3.5Å; W228-N232 VanDerWaalsContact O-CG 3.22Å; W228-N232 PolarHBondContact O-N 3.33Å; W228-N232 PolarHBondContact O-ND2 2.85Å; L229-N232 PolarHBondContact O-N 2.88Å; E230-N232 VanDerWaalsContact C-N 3.34Å; E230-N232 PolarHBondContact O-N 3.48Å; N232-L235 PolarHBondContact O-N 3.08Å; N232-L236 WeakPolarHBondContact O-CB 3.11Å; N232-L236 VanDerWaalsContact O-CG 3.27Å; N232-L236 WeakPolarHBondContact O-CG 3.35Å; N232-L236 PolarHBondContact O-N 2.75Å
233K86.9Confident84.9Confident114 Ų11464.3 Ų64.350%0.49634%0.339SS..Hα-helixtrans-62.9-46.6177.2178.4-175.3159.7-148.90111.8L229 E230 L235 L236 T237L229-K233 WeakPolarHBondContact O-CB 3.49Å; L229-K233 PolarHBondContact O-N 3.43Å; E230-K233 WeakPolarHBondContact O-CB 3.31Å; E230-K233 PolarHBondContact O-N 3.43Å; E230-K233 IonicContact OE1-NZ 3.54Å; E230-K233 PolarHBondContact OE1-NZ 3.14Å; E230-K233 IonicContact OE2-NZ 3.54Å; E230-K233 PolarHBondContact OE2-NZ 3.13Å; K233-L235 VanDerWaalsContact C-N 3.33Å; K233-L236 PolarHBondContact O-N 2.96Å; K233-T237 WeakPolarHBondContact O-CB 3.26Å; K233-T237 PolarHBondContact O-N 3.16Å; K233-T237 PolarHBondContact O-OG1 2.99Å
234Q88.3Confident85.7Confident39 Ų3968.3 Ų68.318%0.18236%0.358CS..Hα-helixtrans-64.5-39.8177.1-68.2-59.1-27.100111.6L187 F219 F223 E230 R231 T237 V238L187-Q234 HydrophobicContact CD1-CB 3.9Å; L187-Q234 HydrophobicContact CD1-CG 4.22Å; F219-Q234 HydrophobicContact CE1-CB 3.88Å; F219-Q234 HydrophobicContact CZ-CB 4.43Å; F223-Q234 HydrophobicContact CZ-CB 4.16Å; F223-Q234 HydrophobicContact CZ-CG 4.03Å; E230-Q234 HydrophobicContact CG-CG 4.37Å; E230-Q234 WeakPolarHBondContact O-CG 3.36Å; E230-Q234 PolarHBondContact O-N 3.34Å; E230-Q234 PolarHBondContact OE1-NE2 3.03Å; R231-Q234 PolarHBondContact O-N 2.97Å; Q234-T237 WeakPolarHBondContact O-CB 3.39Å; Q234-T237 PolarHBondContact O-N 2.66Å; Q234-V238 WeakPolarHBondContact O-CG2 3.47Å; Q234-V238 PolarHBondContact O-N 2.81Å
235L86.4Confident86.5Confident1 Ų161.9 Ų61.91%0.00533%0.328CS..Hα-helixtrans-61.6-46.8175.5179.7152.2000112.4F219 R231 N232 K233 T237 V238 S239 L281 A284 W285F219-L235 HydrophobicContact CD1-CB 4.35Å; F219-L235 HydrophobicContact CE1-CB 3.72Å; F219-L235 VanDerWaalsContact CZ-CA 3.48Å; F219-L235 HydrophobicContact CZ-CB 3.93Å; R231-L235 VanDerWaalsContact O-CB 3.23Å; R231-L235 WeakPolarHBondContact O-CB 3.19Å; R231-L235 PolarHBondContact O-N 2.93Å; N232-L235 PolarHBondContact O-N 3.08Å; K233-L235 VanDerWaalsContact C-N 3.33Å; L235-T237 PolarHBondContact O-N 3.29Å; L235-V238 PolarHBondContact O-N 2.87Å; L235-S239 WeakPolarHBondContact O-CB 3.38Å; L235-S239 PolarHBondContact O-N 3.22Å; L235-S239 PolarHBondContact O-OG 2.91Å; L235-L281 HydrophobicContact CD1-CB 3.74Å; L235-L281 HydrophobicContact CD1-CD1 3.68Å; L235-L281 HydrophobicContact CD1-CD2 3.7Å; L235-L281 HydrophobicContact CD1-CG 3.85Å; L235-A284 HydrophobicContact CD2-CB 4.31Å; L235-W285 HydrophobicContact CD1-CB 4.18Å; L235-W285 HydrophobicContact CD1-CE3 4.31Å; L235-W285 HydrophobicContact CD2-CB 4.1Å; L235-W285 HydrophobicContact CD2-CE3 3.74Å; L235-W285 HydrophobicContact CG-CE3 3.85Å
236L87.8Confident87.6Confident77 Ų7755.5 Ų55.540%0.40329%0.286SS..Hα-helixtrans-64.7-32.8176-70.7173.2000111.6N232 K233 S239 S240 Q288N232-L236 WeakPolarHBondContact O-CB 3.11Å; N232-L236 VanDerWaalsContact O-CG 3.27Å; N232-L236 WeakPolarHBondContact O-CG 3.35Å; N232-L236 PolarHBondContact O-N 2.75Å; K233-L236 PolarHBondContact O-N 2.96Å; L236-S239 PolarHBondContact O-N 3.38Å; L236-S240 VanDerWaalsContact O-CB 3.29Å; L236-S240 WeakPolarHBondContact O-CB 3.42Å; L236-S240 PolarHBondContact O-N 3.3Å; L236-Q288 HydrophobicContact CD2-CG 4.33Å
237T90.4Very high88.3Confident48 Ų4858.4 Ų58.429%0.29428%0.283SS..Hα-helixtrans-64.6-51.2175.8-60.30000110.9K233 Q234 L235 S239 S240 M241K233-T237 WeakPolarHBondContact O-CB 3.26Å; K233-T237 PolarHBondContact O-N 3.16Å; K233-T237 PolarHBondContact O-OG1 2.99Å; Q234-T237 WeakPolarHBondContact O-CB 3.39Å; Q234-T237 PolarHBondContact O-N 2.66Å; L235-T237 PolarHBondContact O-N 3.29Å; T237-S239 VanDerWaalsContact C-N 3.34Å; T237-S239 PolarHBondContact O-N 2.81Å; T237-S240 WeakPolarHBondContact O-CB 3.5Å; T237-S240 PolarHBondContact O-N 3.08Å; T237-M241 HydrophobicContact CG2-CE 3.92Å; T237-M241 WeakPolarHBondContact O-CG 3.31Å; T237-M241 PolarHBondContact O-N 3.03Å
238V90.8Very high88.7Confident0 Ų060.2 Ų60.20%029%0.289CS..Hα-helixtrans-61.7-42.6175.9172.70000111.2L187 L190 Q191 L194 F219 Q234 L235 S240 M241 V242L187-V238 HydrophobicContact CD2-CG2 4.43Å; L190-V238 HydrophobicContact CD2-CG1 4.09Å; Q191-V238 HydrophobicContact CG-CG2 4.19Å; L194-V238 HydrophobicContact CD1-CG1 4.02Å; F219-V238 HydrophobicContact CZ-CG2 4.27Å; Q234-V238 WeakPolarHBondContact O-CG2 3.47Å; Q234-V238 PolarHBondContact O-N 2.81Å; L235-V238 PolarHBondContact O-N 2.87Å; V238-S240 VanDerWaalsContact C-N 3.34Å; V238-S240 PolarHBondContact O-N 3.42Å; V238-M241 PolarHBondContact O-N 2.84Å; V238-V242 PolarHBondContact O-N 3.24Å
239S89.3Confident89.3Confident2 Ų254.9 Ų54.91%0.01427%0.27CS..Hα-helixtrans-57.3-47.8176.4-54.80000111.1L235 L236 T237 M241 V242 H243 W285L235-S239 WeakPolarHBondContact O-CB 3.38Å; L235-S239 PolarHBondContact O-N 3.22Å; L235-S239 PolarHBondContact O-OG 2.91Å; L236-S239 PolarHBondContact O-N 3.38Å; T237-S239 VanDerWaalsContact C-N 3.34Å; T237-S239 PolarHBondContact O-N 2.81Å; S239-M241 PolarHBondContact O-N 2.82Å; S239-V242 PolarHBondContact O-N 2.74Å; S239-H243 PolarHBondContact O-CD2 3.19Å; S239-H243 PolarHBondContact O-N 3.05Å; S239-W285 WeakPolarHBondContact OG-CZ3 3.28Å
240S90.9Very high89.7Confident78 Ų7851.6 Ų51.655%0.54526%0.255SS..Hα-helixtrans-60.6-44.1178.7-177.30000112.1L236 T237 V238 V242 H243 H244L236-S240 VanDerWaalsContact O-CB 3.29Å; L236-S240 WeakPolarHBondContact O-CB 3.42Å; L236-S240 PolarHBondContact O-N 3.3Å; T237-S240 WeakPolarHBondContact O-CB 3.5Å; T237-S240 PolarHBondContact O-N 3.08Å; V238-S240 VanDerWaalsContact C-N 3.34Å; V238-S240 PolarHBondContact O-N 3.42Å; S240-V242 VanDerWaalsContact C-N 3.32Å; S240-V242 PolarHBondContact O-N 3.29Å; S240-H243 PolarHBondContact O-N 3.09Å; S240-H244 WeakPolarHBondContact O-CB 3.43Å; S240-H244 PolarHBondContact O-N 3.36Å
241M93.7Very high90.1Very high50 Ų5048 Ų4825%0.24624%0.238CC..Hα-helixtrans-58.9-44.4175.5-68.7-179.5-17900111.6Q191 L194 T237 V238 S239 H244 L245Q191-M241 HydrophobicContact CB-CE 4.14Å; Q191-M241 HydrophobicContact CB-SD 4.13Å; Q191-M241 HydrophobicContact CG-CE 4.07Å; Q191-M241 HydrophobicContact CG-SD 4.04Å; L194-M241 HydrophobicContact CB-CB 4.49Å; L194-M241 HydrophobicContact CD1-CB 4.49Å; T237-M241 HydrophobicContact CG2-CE 3.92Å; T237-M241 WeakPolarHBondContact O-CG 3.31Å; T237-M241 PolarHBondContact O-N 3.03Å; V238-M241 PolarHBondContact O-N 2.84Å; S239-M241 PolarHBondContact O-N 2.82Å; M241-H244 WeakPolarHBondContact O-CB 3.48Å; M241-H244 PolarHBondContact O-N 3.38Å; M241-L245 WeakPolarHBondContact O-CG 3.13Å; M241-L245 PolarHBondContact O-N 2.85Å
242V92.8Very high90.6Very high2 Ų244.9 Ų44.91%0.01223%0.227CC..Hα-helixtrans-72.2-40.1-178.4165.70000113V102 L194 V238 S239 S240 H244 L245 S246 V253 Y255V102-V242 HydrophobicContact CG2-CG1 3.85Å; L194-V242 HydrophobicContact CD1-CG2 3.65Å; L194-V242 HydrophobicContact CD2-CG2 3.84Å; L194-V242 HydrophobicContact CG-CG2 4.35Å; V238-V242 PolarHBondContact O-N 3.24Å; S239-V242 PolarHBondContact O-N 2.74Å; S240-V242 VanDerWaalsContact C-N 3.32Å; S240-V242 PolarHBondContact O-N 3.29Å; V242-H244 VanDerWaalsContact C-N 3.25Å; V242-H244 PolarHBondContact O-N 2.82Å; V242-L245 PolarHBondContact O-N 3Å; V242-S246 WeakPolarHBondContact O-CB 3.28Å; V242-S246 PolarHBondContact O-N 3.32Å; V242-V253 HydrophobicContact CG1-CB 3.83Å; V242-V253 HydrophobicContact CG1-CG1 3.49Å; V242-V253 VanDerWaalsContact CG1-CG1 3.49Å; V242-V253 HydrophobicContact CG1-CG2 3.98Å; V242-Y255 HydrophobicContact CB-CE2 4.47Å; V242-Y255 WeakPolarHBondContact CB-OH 3.36Å; V242-Y255 HydrophobicContact CG1-CE2 3.77Å; V242-Y255 WeakPolarHBondContact CG2-OH 3.41Å
243H91.9Very high91.2Very high38 Ų3842.8 Ų42.818%0.17622%0.215CC..Hα-helixtrans-59-41.2170.6-79.5-63.4000111.5S239 S240 S246 H247 Q288S239-H243 PolarHBondContact O-CD2 3.19Å; S239-H243 PolarHBondContact O-N 3.05Å; S240-H243 PolarHBondContact O-N 3.09Å; H243-S246 PolarHBondContact O-N 3.49Å; H243-H247 WeakPolarHBondContact O-CB 3.48Å; H243-H247 PolarHBondContact O-CD2 3.02Å; H243-H247 VanDerWaalsContact O-CD2 3.25Å; H243-H247 PolarHBondContact O-N 3.34Å; H243-Q288 PolarHBondContact CE1-O 3.23Å; H243-Q288 PolarHBondContact NE2-O 3.33Å
244H92.1Very high91.6Very high116 Ų11637.3 Ų37.354%0.53719%0.192SC..Hα-helixtrans-60.3-51.5176.8-173-158.5000111.2S240 M241 V242 S246 H247 E248S240-H244 WeakPolarHBondContact O-CB 3.43Å; S240-H244 PolarHBondContact O-N 3.36Å; M241-H244 WeakPolarHBondContact O-CB 3.48Å; M241-H244 PolarHBondContact O-N 3.38Å; V242-H244 VanDerWaalsContact C-N 3.25Å; V242-H244 PolarHBondContact O-N 2.82Å; H244-S246 VanDerWaalsContact C-N 3.32Å; H244-S246 PolarHBondContact O-N 3.39Å; H244-H247 PolarHBondContact O-N 2.84Å; H244-E248 IonicContact CD2-OE2 3.84Å; H244-E248 IonicContact CE1-OE2 3.82Å; H244-E248 IonicContact NE2-OE2 3.35Å; H244-E248 PolarHBondContact NE2-OE2 3.13Å; H244-E248 WeakPolarHBondContact O-CB 3.35Å; H244-E248 PolarHBondContact O-N 3.43Å
245L94.3Very high91.7Very high8 Ų835.6 Ų35.64%0.04218%0.183CC..Hα-helixtrans-58.2-44.7176.6-66.6177.2000112L194 A198 A199 L202 M241 V242 F249L194-L245 HydrophobicContact CB-CD1 4.25Å; L194-L245 HydrophobicContact CD2-CD1 4.06Å; A198-L245 HydrophobicContact CB-CD1 3.9Å; A199-L245 HydrophobicContact CB-CD2 3.94Å; L202-L245 HydrophobicContact CD1-CB 4.08Å; L202-L245 HydrophobicContact CD1-CD1 4.42Å; L202-L245 HydrophobicContact CD1-CD2 3.99Å; L202-L245 HydrophobicContact CD1-CG 4.39Å; M241-L245 WeakPolarHBondContact O-CG 3.13Å; M241-L245 PolarHBondContact O-N 2.85Å; V242-L245 PolarHBondContact O-N 3Å; L245-F249 HydrophobicContact CD2-CD2 4.21Å; L245-F249 HydrophobicContact CD2-CE2 3.89Å; L245-F249 WeakPolarHBondContact O-CB 3.27Å; L245-F249 WeakPolarHBondContact O-CD2 3.47Å; L245-F249 PolarHBondContact O-N 3.04Å; L245-F249 VanDerWaalsContact O-N 3.13Å
246S93.1Very high91.8Very high0 Ų035.5 Ų35.50%018%0.183CC..Hα-helixtrans-60.9-49-178.9-170.60000111.7G100 G101 V242 H243 H244 T250 T251G100-S246 WeakPolarHBondContact CA-O 3.39Å; G100-S246 VanDerWaalsContact CA-OG 3.26Å; G100-S246 WeakPolarHBondContact CA-OG 3.46Å; G101-S246 PolarHBondContact N-OG 3.15Å; G101-S246 PolarHBondContact O-OG 3.21Å; V242-S246 WeakPolarHBondContact O-CB 3.28Å; V242-S246 PolarHBondContact O-N 3.32Å; H243-S246 PolarHBondContact O-N 3.49Å; H244-S246 VanDerWaalsContact C-N 3.32Å; H244-S246 PolarHBondContact O-N 3.39Å; S246-T250 CarbonylContact O-C 3.5Å; S246-T250 WeakPolarHBondContact O-CA 3.09Å; S246-T250 PolarHBondContact O-N 3.24Å; S246-T251 WeakPolarHBondContact CA-O 3.42Å; S246-T251 PolarHBondContact O-N 2.66Å; S246-T251 PolarHBondContact OG-O 3.27Å
247H89.4Confident91.6Very high123 Ų12331.9 Ų31.957%0.56916%0.164SC*.Hα-helixtrans-74.1-42.9-178.7-77.6-61.2000113.5G100 H243 H244G100-H247 PolarHBondContact O-CE1 2.98Å; G100-H247 VanDerWaalsContact O-CE1 3.28Å; H243-H247 WeakPolarHBondContact O-CB 3.48Å; H243-H247 PolarHBondContact O-CD2 3.02Å; H243-H247 VanDerWaalsContact O-CD2 3.25Å; H243-H247 PolarHBondContact O-N 3.34Å; H244-H247 PolarHBondContact O-N 2.84Å
248E90Very high90.9Very high109 Ų10932.1 Ų32.151%0.50916%0.161SC..Hα-helixtrans-62.2-46.5-178.6-176.9175.9-168.100111H244H244-E248 IonicContact CD2-OE2 3.84Å; H244-E248 IonicContact CE1-OE2 3.82Å; H244-E248 IonicContact NE2-OE2 3.35Å; H244-E248 PolarHBondContact NE2-OE2 3.13Å; H244-E248 WeakPolarHBondContact O-CB 3.35Å; H244-E248 PolarHBondContact O-N 3.43Å
249F91.6Very high89.9Confident46 Ų4632.7 Ų32.720%0.20217%0.165CC..Hα-helixtrans-97.80.7-175.7-59.6-74.9000113.7L202 A203 L245 T251L202-F249 HydrophobicContact CB-CB 4.06Å; L202-F249 HydrophobicContact CB-CD1 3.75Å; L202-F249 HydrophobicContact CB-CD2 3.68Å; L202-F249 HydrophobicContact CB-CE1 4.11Å; L202-F249 HydrophobicContact CB-CE2 4.05Å; L202-F249 HydrophobicContact CB-CG 3.53Å; L202-F249 HydrophobicContact CB-CZ 4.25Å; L202-F249 HydrophobicContact CD1-CB 4.45Å; L202-F249 HydrophobicContact CD1-CD2 3.72Å; L202-F249 HydrophobicContact CD1-CE2 4.3Å; L202-F249 HydrophobicContact CD1-CG 4.21Å; L202-F249 HydrophobicContact CD2-CB 4.19Å; L202-F249 HydrophobicContact CG-CB 4.48Å; L202-F249 HydrophobicContact CG-CD2 4.26Å; L202-F249 HydrophobicContact CG-CG 4.31Å; A203-F249 HydrophobicContact CB-CE1 3.79Å; A203-F249 HydrophobicContact CB-CZ 4.15Å; L245-F249 HydrophobicContact CD2-CD2 4.21Å; L245-F249 HydrophobicContact CD2-CE2 3.89Å; L245-F249 WeakPolarHBondContact O-CB 3.27Å; L245-F249 WeakPolarHBondContact O-CD2 3.47Å; L245-F249 PolarHBondContact O-N 3.04Å; L245-F249 VanDerWaalsContact O-N 3.13Å; F249-T251 VanDerWaalsContact C-N 3.26Å; F249-T251 HydrophobicContact CB-CG2 4.38Å; F249-T251 PolarHBondContact O-N 3.02Å
250T91.6Very high88.3Confident46 Ų4635.7 Ų35.728%0.28218%0.183SC..THydrogen-bonded Turntrans49.252.6-175.9-50.90000110.2V99 R208 S246V99-T250 HydrophobicContact CB-CG2 4.26Å; V99-T250 HydrophobicContact CG2-CG2 3.49Å; V99-T250 VanDerWaalsContact CG2-CG2 3.49Å; R208-T250 PolarHBondContact NH2-O 3.26Å; S246-T250 CarbonylContact O-C 3.5Å; S246-T250 WeakPolarHBondContact O-CA 3.09Å; S246-T250 PolarHBondContact O-N 3.24Å
251T93.2Very high86.2Confident0 Ų036.5 Ų36.50%018%0.181CC..  trans-117.9139.7-175.2-162.90000110.4G100 L202 R208 L209 S246 F249 V253G100-T251 PolarHBondContact N-O 3.01Å; L202-T251 HydrophobicContact CD1-CG2 4.25Å; L202-T251 HydrophobicContact CD2-CG2 3.72Å; R208-T251 WeakPolarHBondContact CA-OG1 3.3Å; R208-T251 PolarHBondContact O-OG1 2.91Å; L209-T251 PolarHBondContact N-OG1 2.87Å; S246-T251 WeakPolarHBondContact CA-O 3.42Å; S246-T251 PolarHBondContact O-N 2.66Å; S246-T251 PolarHBondContact OG-O 3.27Å; F249-T251 VanDerWaalsContact C-N 3.26Å; F249-T251 HydrophobicContact CB-CG2 4.38Å; F249-T251 PolarHBondContact O-N 3.02Å; T251-V253 HydrophobicContact CG2-CG2 4.26Å
252P95.5Very high83.6Confident0 Ų038.1 Ų38.10%019%0.194CC..  trans-67.7137.7167.728.7-33.5000109.7L82 V99 L133 R208 L209 V210L82-P252 HydrophobicContact CB-CG 4.17Å; L82-P252 HydrophobicContact CD2-CG 3.94Å; V99-P252 HydrophobicContact CG1-CG 4.47Å; L133-P252 HydrophobicContact CD1-CG 4.07Å; R208-P252 WeakPolarHBondContact O-CD 3.38Å; R208-P252 WeakPolarHBondContact O-CG 3.27Å; L209-P252 HydrophobicContact CD1-CB 4.28Å; L209-P252 HydrophobicContact CD1-CG 3.98Å; V210-P252 PolarHBondContact N-O 3.4Å
253V94.9Very high80.8Confident1 Ų147 Ų471%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-117.7130167.3-175.40000108.9G101 T103 V210 V242 T251 Y255G101-V253 PolarHBondContact O-N 2.95Å; T103-V253 PolarHBondContact N-O 3.13Å; V210-V253 HydrophobicContact CB-CG1 4.16Å; V210-V253 HydrophobicContact CB-CG2 4.21Å; V210-V253 HydrophobicContact CG1-CG1 4.39Å; V210-V253 CarbonylContact O-C 3.57Å; V210-V253 WeakPolarHBondContact O-CA 3.47Å; V242-V253 HydrophobicContact CG1-CB 3.83Å; V242-V253 HydrophobicContact CG1-CG1 3.49Å; V242-V253 VanDerWaalsContact CG1-CG1 3.49Å; V242-V253 HydrophobicContact CG1-CG2 3.98Å; T251-V253 HydrophobicContact CG2-CG2 4.26Å; V253-Y255 HydrophobicContact CG1-CE2 4.19Å
254F94.9Very high78Confident0 Ų051.5 Ų51.50%025%0.253CS..EExtended strand (participates in β ladder)trans-121.3112.8-172.3-168.4-118.7000111.1L97 T103 L105 L116 L120 L209 V210 V211 V212 L256L97-F254 HydrophobicContact CD1-CB 4.49Å; L97-F254 HydrophobicContact CD1-CD2 3.67Å; L97-F254 HydrophobicContact CD1-CE2 4.12Å; L97-F254 HydrophobicContact CD1-CG 4.22Å; T103-F254 HydrophobicContact CG2-CD2 3.78Å; T103-F254 HydrophobicContact CG2-CE2 3.73Å; T103-F254 CarbonylContact O-C 3.6Å; T103-F254 WeakPolarHBondContact O-CA 3.33Å; L105-F254 HydrophobicContact CB-CE1 4.44Å; L105-F254 HydrophobicContact CB-CE2 3.97Å; L105-F254 HydrophobicContact CB-CZ 3.62Å; L105-F254 HydrophobicContact CD2-CE1 4.44Å; L105-F254 HydrophobicContact CD2-CZ 3.87Å; L105-F254 HydrophobicContact CG-CZ 4.34Å; L116-F254 HydrophobicContact CD2-CZ 3.98Å; L116-F254 HydrophobicContact CG-CE1 4.42Å; L116-F254 HydrophobicContact CG-CZ 4.16Å; L120-F254 HydrophobicContact CD1-CD1 3.59Å; L120-F254 HydrophobicContact CD1-CD2 4.13Å; L120-F254 HydrophobicContact CD1-CE1 3.55Å; L120-F254 HydrophobicContact CD1-CE2 4.14Å; L120-F254 HydrophobicContact CD1-CG 3.88Å; L120-F254 HydrophobicContact CD1-CZ 3.85Å; L209-F254 HydrophobicContact CD1-CB 4.31Å; V210-F254 PolarHBondContact O-N 3.45Å; V211-F254 WeakPolarHBondContact CA-O 3.35Å; V211-F254 HydrophobicContact CG1-CD1 4.33Å; V211-F254 HydrophobicContact CG2-CB 4.41Å; V212-F254 PolarHBondContact N-O 3.35Å; F254-L256 HydrophobicContact CD1-CD2 3.82Å; F254-L256 HydrophobicContact CD1-CG 4.47Å; F254-L256 HydrophobicContact CE1-CD2 3.26Å; F254-L256 HydrophobicContact CE1-CG 4.32Å; F254-L256 HydrophobicContact CZ-CD2 3.91Å
255Y91.8Very high74.9Confident2 Ų253.7 Ų53.71%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-95.9127.6176.9-77.1-68.8000111.2V102 T103 L105 V212 V215 V242 V253 W285V102-Y255 HydrophobicContact CG1-CD2 3.42Å; V102-Y255 VanDerWaalsContact CG1-CD2 3.42Å; V102-Y255 HydrophobicContact CG1-CE2 3.53Å; T103-Y255 PolarHBondContact O-N 3.37Å; L105-Y255 PolarHBondContact N-O 3.12Å; V212-Y255 HydrophobicContact CB-CD1 3.59Å; V212-Y255 HydrophobicContact CB-CE1 3.56Å; V212-Y255 HydrophobicContact CG1-CD1 4.16Å; V212-Y255 HydrophobicContact CG1-CE1 3.94Å; V212-Y255 HydrophobicContact CG2-CD1 4.08Å; V212-Y255 HydrophobicContact CG2-CE1 3.62Å; V215-Y255 HydrophobicContact CB-CD1 4.26Å; V215-Y255 HydrophobicContact CB-CE1 4.33Å; V215-Y255 HydrophobicContact CG2-CD1 3.4Å; V215-Y255 VanDerWaalsContact CG2-CD1 3.4Å; V215-Y255 HydrophobicContact CG2-CE1 3.15Å; V242-Y255 HydrophobicContact CB-CE2 4.47Å; V242-Y255 WeakPolarHBondContact CB-OH 3.36Å; V242-Y255 HydrophobicContact CG1-CE2 3.77Å; V242-Y255 WeakPolarHBondContact CG2-OH 3.41Å; V253-Y255 HydrophobicContact CG1-CE2 4.19Å; Y255-W285 AromaticContact CD2-CH2 3.97Å; Y255-W285 HydrophobicContact CD2-CH2 3.97Å; Y255-W285 AromaticContact CD2-CZ2 3.77Å; Y255-W285 HydrophobicContact CD2-CZ2 3.77Å; Y255-W285 HydrophobicContact CE1-CH2 4.33Å; Y255-W285 AromaticContact CE2-CH2 3.6Å; Y255-W285 HydrophobicContact CE2-CH2 3.6Å; Y255-W285 AromaticContact CE2-CZ2 3.9Å; Y255-W285 HydrophobicContact CE2-CZ2 3.9Å; Y255-W285 HydrophobicContact CG-CH2 4.41Å; Y255-W285 HydrophobicContact CG-CZ2 4.08Å; Y255-W285 AromaticContact CZ-CH2 3.77Å
256L88.6Confident71.8Confident0 Ų059.6 Ų59.60%030%0.303CS..EExtended strand (participates in β ladder)trans-92.4127165.8-59.6-171.4000108.7L105 K113 V212 D213 S214 F254L105-L256 HydrophobicContact CB-CD2 4.04Å; L105-L256 HydrophobicContact CD2-CD2 3.99Å; L105-L256 HydrophobicContact CG-CD2 4.48Å; K113-L256 HydrophobicContact CB-CD1 4.39Å; K113-L256 HydrophobicContact CB-CD2 4.03Å; V212-L256 PolarHBondContact O-N 3.42Å; D213-L256 HydrophobicContact CB-CB 4.24Å; D213-L256 HydrophobicContact CB-CD1 3.88Å; D213-L256 HydrophobicContact CB-CG 4.35Å; S214-L256 WeakPolarHBondContact CA-O 3.27Å; S214-L256 WeakPolarHBondContact CB-O 3.47Å; F254-L256 HydrophobicContact CD1-CD2 3.82Å; F254-L256 HydrophobicContact CD1-CG 4.47Å; F254-L256 HydrophobicContact CE1-CD2 3.26Å; F254-L256 HydrophobicContact CE1-CG 4.32Å; F254-L256 HydrophobicContact CZ-CD2 3.91Å
257F82.2Confident68.9Low0 Ų068 Ų680%034%0.342CS..EExtended strand (participates in β ladder)trans-124.9114-174.8-157.6-86.2000110.3E104 L105 A106 G107 K113 A216 V259 A280 L281E104-F257 HydrophobicContact CG-CB 4.12Å; L105-F257 PolarHBondContact O-N 3.24Å; A106-F257 WeakPolarHBondContact CA-O 3.4Å; A106-F257 HydrophobicContact CB-CB 4.41Å; G107-F257 PolarHBondContact N-O 2.97Å; G107-F257 VanDerWaalsContact N-O 3.11Å; K113-F257 VanDerWaalsContact CD-O 3.25Å; K113-F257 WeakPolarHBondContact CD-O 3.08Å; K113-F257 VanDerWaalsContact CE-O 3.29Å; K113-F257 WeakPolarHBondContact CE-O 3.32Å; A216-F257 HydrophobicContact CB-CD1 4.47Å; A216-F257 HydrophobicContact CB-CD2 3.93Å; A216-F257 HydrophobicContact CB-CE1 4.06Å; A216-F257 HydrophobicContact CB-CE2 3.46Å; A216-F257 VanDerWaalsContact CB-CE2 3.46Å; A216-F257 HydrophobicContact CB-CG 4.4Å; A216-F257 HydrophobicContact CB-CZ 3.52Å; F257-V259 HydrophobicContact CD1-CG2 3.96Å; F257-V259 HydrophobicContact CE1-CG2 4.38Å; F257-A280 HydrophobicContact CE1-CB 3.66Å; F257-A280 HydrophobicContact CZ-CB 3.76Å; F257-L281 HydrophobicContact CD2-CD1 4.46Å; F257-L281 HydrophobicContact CE2-CD1 3.49Å; F257-L281 VanDerWaalsContact CE2-CD1 3.49Å; F257-L281 HydrophobicContact CE2-CG 3.6Å; F257-L281 HydrophobicContact CZ-CB 4.43Å; F257-L281 HydrophobicContact CZ-CD1 4.12Å; F257-L281 HydrophobicContact CZ-CG 3.68Å
258K76.5Confident66.6Low53 Ų5367.7 Ų67.723%0.2335%0.354CS..EExtended strand (participates in β ladder)trans-82.3117.2172.8-67.8175.6-174.8168.30107.9G107 E143 D144G107-K258 WeakPolarHBondContact O-CA 3.32Å; E143-K258 IonicContact OE2-NZ 3.26Å; E143-K258 PolarHBondContact OE2-NZ 2.61Å; D144-K258 IonicContact OD2-NZ 2.77Å; D144-K258 PolarHBondContact OD2-NZ 2.93Å
259V70.6Confident64Low13 Ų1367.5 Ų67.58%0.07936%0.364CS..PPolyproline II helixtrans-92.4134.7172.1-167.20000108.7A106 G107 F257 V277A106-V259 HydrophobicContact CB-CG2 3.89Å; G107-V259 PolarHBondContact O-N 2.92Å; F257-V259 HydrophobicContact CD1-CG2 3.96Å; F257-V259 HydrophobicContact CE1-CG2 4.38Å; V259-V277 HydrophobicContact CB-CG1 3.91Å; V259-V277 HydrophobicContact CG1-CG1 3.46Å; V259-V277 VanDerWaalsContact CG1-CG1 3.46Å; V259-V277 HydrophobicContact CG2-CG1 3.91Å
260T55.8Low61.5Low65 Ų6571.6 Ų71.640%0.39940%0.399SS..PPolyproline II helixtrans-86.8129.6166.546.70000108.5V262T260-V262 PolarHBondContact O-N 3.37Å
261D46Very low58.8Low94 Ų9474 Ų7450%0.50342%0.418SS..PPolyproline II helixtrans-54.4127.6175-66.3-47000110.4F263D261-F263 PolarHBondContact O-N 3.1Å
262V39.8Very low55.9Low85 Ų8579.2 Ų79.252%0.51545%0.454SS..  trans-75.999.4161.3-178.80000104.9T260 H264T260-V262 PolarHBondContact O-N 3.37Å; V262-H264 PolarHBondContact O-N 2.81Å
263F33Very low52.9Low187 Ų18785.5 Ų85.582%0.8250%0.495SS*.  trans-61.3102.8169.6-66.3-83.3000107.8D261 Q265D261-F263 PolarHBondContact O-N 3.1Å; F263-Q265 PolarHBondContact O-N 3.49Å
264H33.3Very low50.1Low133 Ų13390.2 Ų90.262%0.61653%0.528SS*.  trans-65.6120.5166.7-87.8-77.1000108V262 S276V262-H264 PolarHBondContact O-N 2.81Å; H264-S276 PolarHBondContact NE2-OG 3.19Å
265Q26.4Very low47.5Very low162 Ų16293.5 Ų93.576%0.75755%0.55SS**  trans-55.1141.3159.3-80.2180-20.800108.5F263 E267F263-Q265 PolarHBondContact O-N 3.49Å; Q265-E267 VanDerWaalsContact C-N 3.34Å; Q265-E267 PolarHBondContact O-N 3.08Å
266P29.2Very low45.1Very low133 Ų13396.8 Ų96.886%0.86457%0.574SS**  trans-75.589.4-177.731.5-32.3000108.9
267E33.5Very low43.1Very low176 Ų17699 Ų9982%0.82259%0.587SS**  trans-92.7121160.6-70.6-151165.700109.6Q265 S269Q265-E267 VanDerWaalsContact C-N 3.34Å; Q265-E267 PolarHBondContact O-N 3.08Å; E267-S269 PolarHBondContact O-N 3.11Å
268S39.9Very low41.6Very low117 Ų117102.3 Ų102.382%0.81861%0.61SS**  trans-56.4111.2178.648.80000112.3
269S36.7Very low40.4Very low104 Ų104101.2 Ų101.273%0.72761%0.609SS**  trans-176.3144.4140.946.80000110.6E267 S271E267-S269 PolarHBondContact O-N 3.11Å; S269-S271 PolarHBondContact O-N 3.35Å
270S38.5Very low39.4Very low133 Ų133102.6 Ų102.693%0.9362%0.622SS**  trans-64.977.5-171.950.60000114.1
271S33.5Very low39.7Very low97 Ų9799.9 Ų99.968%0.67861%0.605SS**  trans-129.5136.416260.20000109.1S269S269-S271 PolarHBondContact O-N 3.35Å
272S34Very low40.7Very low108 Ų10897.2 Ų97.276%0.75560%0.6SS**  trans-47.3134.9178.4-52.30000110.1S274S272-S274 VanDerWaalsContact C-N 3.26Å; S272-S274 PolarHBondContact O-N 3.43Å
273P31.5Very low42Very low133 Ų133100.1 Ų100.186%0.86461%0.611SS**  trans-71.586.7-176.529.9-32.8000108.6S275P273-S275 PolarHBondContact O-N 3.16Å
274S36.6Very low43.8Very low99 Ų9992.6 Ų92.669%0.69258%0.583SS**  trans-68.6102.416260.50000105.9S272 S276S272-S274 VanDerWaalsContact C-N 3.26Å; S272-S274 PolarHBondContact O-N 3.43Å; S274-S276 VanDerWaalsContact C-N 3.29Å; S274-S276 PolarHBondContact O-N 3.23Å
275S40.3Very low45.8Very low69 Ų6986.3 Ų86.348%0.48355%0.554SS.*  trans-57.596.9169.863.90000107.7P273 V277 R296P273-S275 PolarHBondContact O-N 3.16Å; S275-V277 PolarHBondContact O-N 2.9Å; S275-R296 PolarHBondContact OG-NH2 2.85Å
276S40.4Very low48.1Very low72 Ų7279.5 Ų79.550%0.50353%0.526SS..  trans-77.370.4175.856.70000107.6H264 S274 S278H264-S276 PolarHBondContact NE2-OG 3.19Å; S274-S276 VanDerWaalsContact C-N 3.29Å; S274-S276 PolarHBondContact O-N 3.23Å; S276-S278 VanDerWaalsContact C-N 3.31Å; S276-S278 PolarHBondContact O-N 2.9Å
277V47.6Very low50.4Low46 Ų4679.6 Ų79.628%0.27952%0.519SS..  trans-67.196173.6-1770000106.5V259 S275 M294V259-V277 HydrophobicContact CB-CG1 3.91Å; V259-V277 HydrophobicContact CG1-CG1 3.46Å; V259-V277 VanDerWaalsContact CG1-CG1 3.46Å; V259-V277 HydrophobicContact CG2-CG1 3.91Å; S275-V277 PolarHBondContact O-N 2.9Å; V277-M294 HydrophobicContact CB-CE 4.21Å; V277-M294 HydrophobicContact CG1-CE 3.8Å; V277-M294 HydrophobicContact CG1-SD 4.19Å; V277-M294 HydrophobicContact CG2-CE 3.98Å
278S49.9Very low52.8Low69 Ų6973.6 Ų73.648%0.48349%0.491SS..  trans-80.7132.1172.259.60000108.5S276 A280S276-S278 VanDerWaalsContact C-N 3.31Å; S276-S278 PolarHBondContact O-N 2.9Å; S278-A280 PolarHBondContact O-N 2.89Å
279P51.1Low55.1Low30 Ų3068.4 Ų68.420%0.19545%0.454CS..  trans-59.1131.4174.6-15.725.6000109.2L281 G282P279-L281 PolarHBondContact O-N 2.9Å; P279-G282 PolarHBondContact O-N 3.2Å
280A51.5Low57.7Low43 Ų4365.4 Ų65.436%0.35543%0.432SS..THydrogen-bonded Turntrans-64.7-6.2-17100000114.8R231 F257 S278R231-A280 PolarHBondContact NH2-O 2.92Å; F257-A280 HydrophobicContact CE1-CB 3.66Å; F257-A280 HydrophobicContact CZ-CB 3.76Å; S278-A280 PolarHBondContact O-N 2.89Å
281L60.5Low60.3Low8 Ų859.2 Ų59.24%0.04239%0.388CS..THydrogen-bonded Turntrans-99.5-0.7176.1-68.4-178.3000114.4V215 F219 L235 F257 P279 W285V215-L281 HydrophobicContact CG1-CD1 4.28Å; F219-L281 HydrophobicContact CB-CD2 3.76Å; F219-L281 HydrophobicContact CD2-CD2 4.48Å; F219-L281 HydrophobicContact CG-CD2 4.15Å; L235-L281 HydrophobicContact CD1-CB 3.74Å; L235-L281 HydrophobicContact CD1-CD1 3.68Å; L235-L281 HydrophobicContact CD1-CD2 3.7Å; L235-L281 HydrophobicContact CD1-CG 3.85Å; F257-L281 HydrophobicContact CD2-CD1 4.46Å; F257-L281 HydrophobicContact CE2-CD1 3.49Å; F257-L281 VanDerWaalsContact CE2-CD1 3.49Å; F257-L281 HydrophobicContact CE2-CG 3.6Å; F257-L281 HydrophobicContact CZ-CB 4.43Å; F257-L281 HydrophobicContact CZ-CD1 4.12Å; F257-L281 HydrophobicContact CZ-CG 3.68Å; P279-L281 PolarHBondContact O-N 2.9Å; L281-W285 HydrophobicContact CB-CB 3.5Å; L281-W285 HydrophobicContact CB-CG 3.9Å; L281-W285 HydrophobicContact CD1-CB 4.15Å; L281-W285 HydrophobicContact CD1-CD2 3.72Å; L281-W285 HydrophobicContact CD1-CE3 4.06Å; L281-W285 HydrophobicContact CD1-CG 3.74Å; L281-W285 HydrophobicContact CG-CB 4.47Å; L281-W285 HydrophobicContact CG-CG 4.45Å
282G67.3Low63.2Low38 Ų3855.7 Ų55.739%0.39236%0.36SS..Hα-helixtrans69.4-166.717500000115.1P279 A284 W285 A286P279-G282 PolarHBondContact O-N 3.2Å; G282-A284 VanDerWaalsContact C-N 3.29Å; G282-A284 PolarHBondContact O-N 3.33Å; G282-W285 PolarHBondContact O-N 2.96Å; G282-A286 PolarHBondContact O-N 2.85Å
283L68.4Low66.1Low146 Ų14650.6 Ų50.676%0.76432%0.324SS*.Hα-helixtrans-63.2-31.3-173.9-72.5169.6000113.5W285 A286L283-W285 VanDerWaalsContact C-N 3.29Å; L283-W285 PolarHBondContact O-N 2.91Å; L283-A286 PolarHBondContact O-N 2.99Å
284A70.1Confident69.1Low28 Ų2844.9 Ų44.923%0.23129%0.286CS..Hα-helixtrans-58.7-42.3-179.600000111.6L235 G282 Q288L235-A284 HydrophobicContact CD2-CB 4.31Å; G282-A284 VanDerWaalsContact C-N 3.29Å; G282-A284 PolarHBondContact O-N 3.33Å; A284-Q288 VanDerWaalsContact O-CG 3.31Å; A284-Q288 WeakPolarHBondContact O-CG 3.1Å
285W75.6Confident71.9Confident2 Ų240.2 Ų40.21%0.00825%0.253CS..Hα-helixtrans-79.8-30.7176-175.3-104.6000113.4E104 L235 S239 Y255 L281 G282 L283 N287 Q288 V289E104-W285 PolarHBondContact OE2-NE1 3.34Å; L235-W285 HydrophobicContact CD1-CB 4.18Å; L235-W285 HydrophobicContact CD1-CE3 4.31Å; L235-W285 HydrophobicContact CD2-CB 4.1Å; L235-W285 HydrophobicContact CD2-CE3 3.74Å; L235-W285 HydrophobicContact CG-CE3 3.85Å; S239-W285 WeakPolarHBondContact OG-CZ3 3.28Å; Y255-W285 AromaticContact CD2-CH2 3.97Å; Y255-W285 HydrophobicContact CD2-CH2 3.97Å; Y255-W285 AromaticContact CD2-CZ2 3.77Å; Y255-W285 HydrophobicContact CD2-CZ2 3.77Å; Y255-W285 HydrophobicContact CE1-CH2 4.33Å; Y255-W285 AromaticContact CE2-CH2 3.6Å; Y255-W285 HydrophobicContact CE2-CH2 3.6Å; Y255-W285 AromaticContact CE2-CZ2 3.9Å; Y255-W285 HydrophobicContact CE2-CZ2 3.9Å; Y255-W285 HydrophobicContact CG-CH2 4.41Å; Y255-W285 HydrophobicContact CG-CZ2 4.08Å; Y255-W285 AromaticContact CZ-CH2 3.77Å; L281-W285 HydrophobicContact CB-CB 3.5Å; L281-W285 HydrophobicContact CB-CG 3.9Å; L281-W285 HydrophobicContact CD1-CB 4.15Å; L281-W285 HydrophobicContact CD1-CD2 3.72Å; L281-W285 HydrophobicContact CD1-CE3 4.06Å; L281-W285 HydrophobicContact CD1-CG 3.74Å; L281-W285 HydrophobicContact CG-CB 4.47Å; L281-W285 HydrophobicContact CG-CG 4.45Å; G282-W285 PolarHBondContact O-N 2.96Å; L283-W285 VanDerWaalsContact C-N 3.29Å; L283-W285 PolarHBondContact O-N 2.91Å; W285-N287 PolarHBondContact O-N 2.72Å; W285-Q288 HydrophobicContact CE3-CB 4.4Å; W285-Q288 PolarHBondContact O-N 2.86Å; W285-V289 HydrophobicContact CZ2-CG1 4.22Å
286A74.7Confident74.4Confident19 Ų1940.5 Ų40.516%0.15724%0.244CC..Hα-helixtrans-54.2-30.3-179.500000114G282 L283G282-A286 PolarHBondContact O-N 2.85Å; L283-A286 PolarHBondContact O-N 2.99Å
287N77.1Confident77Confident135 Ų13543.1 Ų43.172%0.72224%0.243SC*.THydrogen-bonded Turntrans-92.91.8179.9-61.9-24.9000114W285W285-N287 PolarHBondContact O-N 2.72Å
288Q83.9Confident79.1Confident49 Ų4942.9 Ų42.923%0.22924%0.24CC..SBendtrans-103.19.1-178-53-58.3-47.600112.8L236 H243 A284 W285L236-Q288 HydrophobicContact CD2-CG 4.33Å; H243-Q288 PolarHBondContact CE1-O 3.23Å; H243-Q288 PolarHBondContact NE2-O 3.33Å; A284-Q288 VanDerWaalsContact O-CG 3.31Å; A284-Q288 WeakPolarHBondContact O-CG 3.1Å; W285-Q288 HydrophobicContact CE3-CB 4.4Å; W285-Q288 PolarHBondContact O-N 2.86Å
289V88.8Confident81Confident9 Ų948.7 Ų48.76%0.05526%0.259CS..  trans-120.4137-178-610000110.3V102 E104 W285 R292 F318V102-V289 HydrophobicContact CG1-CG1 4.27Å; E104-V289 HydrophobicContact CB-CB 4.4Å; E104-V289 HydrophobicContact CB-CG1 3.93Å; W285-V289 HydrophobicContact CZ2-CG1 4.22Å; V289-R292 HydrophobicContact CG2-CB 4.27Å; V289-F318 WeakPolarHBondContact O-CE1 3.48Å
290T91Very high83Confident41 Ų4149.8 Ų49.825%0.25227%0.265SS..SBendtrans-79.1-38.3175.9-47.80000110.7G101 V102 P320G101-T290 WeakPolarHBondContact CA-OG1 3.13Å; V102-T290 PolarHBondContact N-OG1 2.84Å; V102-T290 VanDerWaalsContact N-OG1 3.07Å; V102-T290 WeakPolarHBondContact O-CA 3.42Å; V102-T290 WeakPolarHBondContact O-CB 3.32Å; V102-T290 PolarHBondContact O-N 2.83Å; T290-P320 WeakPolarHBondContact O-CD 3.5Å
291V93.3Very high85Confident2 Ų251 Ų511%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-135.9131.3179.81780000108.4P98 V102 T103 E104 L293 F318 A319P98-V291 HydrophobicContact CG-CG2 3.98Å; V102-V291 PolarHBondContact O-N 2.75Å; V102-V291 VanDerWaalsContact O-N 3.12Å; T103-V291 CarbonylContact C-O 3.58Å; T103-V291 WeakPolarHBondContact CA-O 3.33Å; T103-V291 HydrophobicContact CG2-CB 4.06Å; T103-V291 HydrophobicContact CG2-CG1 4.04Å; E104-V291 PolarHBondContact N-O 3.25Å; V291-L293 HydrophobicContact CG1-CD2 3.71Å; V291-L293 HydrophobicContact CG1-CG 3.96Å; V291-F318 CarbonylContact C-O 3.5Å; V291-F318 WeakPolarHBondContact CA-O 3.41Å; V291-A319 HydrophobicContact CB-CB 4.46Å; V291-A319 HydrophobicContact CG1-CB 4.25Å; V291-A319 HydrophobicContact CG2-CB 4.05Å
292R93.6Very high86.6Confident24 Ų2450.7 Ų50.79%0.09127%0.267CS..EExtended strand (participates in β ladder)trans-119.3121.8171.2-178.5174.2-76.5157.9-5.6109.8E104 V289 V317 F318E104-R292 IonicContact OE1-NE 2.78Å; E104-R292 IonicContact OE1-NH2 2.75Å; E104-R292 IonicContact OE2-CZ 2.96Å; E104-R292 VanDerWaalsContact OE2-CZ 3.25Å; E104-R292 IonicContact OE2-NE 2.72Å; E104-R292 PolarHBondContact OE2-NE 2.88Å; E104-R292 IonicContact OE2-NH2 3.73Å; E104-R292 PolarHBondContact OE2-NH2 3.39Å; V289-R292 HydrophobicContact CG2-CB 4.27Å; R292-V317 HydrophobicContact CB-CB 4.46Å; R292-V317 HydrophobicContact CG-CB 4.1Å; R292-V317 HydrophobicContact CG-CG1 4.5Å; R292-V317 PolarHBondContact O-N 3.07Å; R292-F318 HydrophobicContact CB-CB 4.07Å; R292-F318 PolarHBondContact N-O 3.34Å; R292-F318 PolarHBondContact O-N 3.12Å; R292-F318 VanDerWaalsContact O-N 3.16Å
293L94.9Very high87.7Confident0 Ų051.3 Ų51.30%027%0.265CS..EExtended strand (participates in β ladder)trans-112146.5176.1-52.6179.4000109.3L93 T103 E104 L105 A106 V291 L314 E315 V316L93-L293 HydrophobicContact CD1-CD1 4.35Å; L93-L293 HydrophobicContact CD2-CD1 4.07Å; L93-L293 HydrophobicContact CD2-CD2 3.77Å; T103-L293 HydrophobicContact CG2-CD1 4.12Å; T103-L293 HydrophobicContact CG2-CG 4.37Å; E104-L293 PolarHBondContact O-N 3.06Å; L105-L293 HydrophobicContact CD1-CB 3.68Å; A106-L293 PolarHBondContact N-O 3.46Å; V291-L293 HydrophobicContact CG1-CD2 3.71Å; V291-L293 HydrophobicContact CG1-CG 3.96Å; L293-L314 HydrophobicContact CB-CD1 4.02Å; L293-L314 HydrophobicContact CD1-CD2 4.29Å; L293-E315 CarbonylContact C-O 3.59Å; L293-E315 VanDerWaalsContact CA-O 3.31Å; L293-E315 WeakPolarHBondContact CA-O 3.17Å; L293-V316 HydrophobicContact CD2-CB 4.35Å; L293-V316 HydrophobicContact CD2-CG2 3.88Å
294M94.6Very high88.7Confident14 Ų1449.9 Ų49.97%0.06925%0.249CC..EExtended strand (participates in β ladder)trans-120.4123.5173.1-179.569.9-174.100109.1A106 V277 R296 L314 E315 V317A106-M294 HydrophobicContact CB-SD 3.95Å; A106-M294 CarbonylContact O-C 3.57Å; A106-M294 WeakPolarHBondContact O-CA 3.42Å; V277-M294 HydrophobicContact CB-CE 4.21Å; V277-M294 HydrophobicContact CG1-CE 3.8Å; V277-M294 HydrophobicContact CG1-SD 4.19Å; V277-M294 HydrophobicContact CG2-CE 3.98Å; M294-R296 HydrophobicContact CE-CG 3.79Å; M294-R296 HydrophobicContact CG-CG 4.13Å; M294-L314 CarbonylContact O-C 3.55Å; M294-L314 WeakPolarHBondContact O-CA 3.31Å; M294-E315 PolarHBondContact N-O 2.76Å; M294-E315 PolarHBondContact O-N 2.92Å; M294-V317 HydrophobicContact CB-CG2 3.44Å; M294-V317 VanDerWaalsContact CB-CG2 3.44Å
295M95.1Very high89.5Confident0 Ų052.5 Ų52.50%028%0.28CS..EExtended strand (participates in β ladder)trans-106.7123.6172.7-170.9175.8-74.300109.6L105 A106 G107 A111 L116 R313 L314 L336L105-M295 HydrophobicContact CD1-CB 3.96Å; L105-M295 HydrophobicContact CD2-CE 4.12Å; A106-M295 PolarHBondContact O-N 2.82Å; G107-M295 VanDerWaalsContact CA-O 3.31Å; G107-M295 WeakPolarHBondContact CA-O 3.5Å; A111-M295 HydrophobicContact CB-CB 4.37Å; A111-M295 HydrophobicContact CB-CG 4.16Å; A111-M295 WeakPolarHBondContact CB-O 3.33Å; A111-M295 WeakPolarHBondContact O-CG 3.4Å; L116-M295 HydrophobicContact CD2-CE 4.44Å; M295-R313 WeakPolarHBondContact CA-O 3.42Å; M295-L314 HydrophobicContact CB-CD1 3.93Å; M295-L314 HydrophobicContact CE-CD1 3.84Å; M295-L314 HydrophobicContact CG-CD1 4.48Å; M295-L336 HydrophobicContact CE-CD1 3.82Å
296R94Very high90.2Very high75 Ų7558.8 Ų58.828%0.28331%0.313SS..EExtended strand (participates in β ladder)trans-117.6136.9176.8-67-179.1176.21270.9110S275 M294 R312 R313 E315S275-R296 PolarHBondContact OG-NH2 2.85Å; M294-R296 HydrophobicContact CE-CG 3.79Å; M294-R296 HydrophobicContact CG-CG 4.13Å; R296-R312 CarbonylContact O-C 3.51Å; R296-R312 WeakPolarHBondContact O-CA 3.29Å; R296-R313 PolarHBondContact N-O 3.03Å; R296-R313 PolarHBondContact O-N 3.03Å; R296-E315 IonicContact NH1-OE2 2.81Å; R296-E315 PolarHBondContact NH1-OE2 3.28Å; R296-E315 VanDerWaalsContact NH1-OE2 3.07Å
297R93.4Very high91Very high127 Ų12760.1 Ų60.148%0.47932%0.316SS..EExtended strand (participates in β ladder)trans-81.8130.9167.8-172.3179.9174.5177.2-1.9108.1E108 A310E108-R297 WeakPolarHBondContact OE1-CB 3.41Å; E108-R297 PolarHBondContact OE1-N 3.11Å; R297-A310 HydrophobicContact CG-CB 3.9Å
298L92.9Very high91.8Very high42 Ų4257.7 Ų57.722%0.2231%0.31CS..EExtended strand (participates in β ladder)trans-95.9153.7176.4-55.3-178.5000109.6V300 L311 R313L298-V300 PolarHBondContact O-N 3.12Å; L298-L311 HydrophobicContact CB-CB 4.35Å; L298-L311 WeakPolarHBondContact CB-O 3.5Å; L298-L311 HydrophobicContact CD1-CB 4.49Å; L298-L311 HydrophobicContact CD1-CD2 3.91Å; L298-L311 HydrophobicContact CD1-CG 4.07Å; L298-L311 PolarHBondContact N-O 3.02Å; L298-R313 HydrophobicContact CD1-CB 4.25Å; L298-R313 HydrophobicContact CD2-CB 4.47Å; L298-R313 HydrophobicContact CG-CB 4.48Å
299Q90.2Very high92.3Very high190 Ų19055.9 Ų55.989%0.88830%0.303SS*.EExtended strand (participates in β ladder)trans-80.340.3174.7-59.2-62-21.800111.4
300V92.5Very high92.6Very high53 Ų5356 Ų5632%0.32131%0.305SS..EExtended strand (participates in β ladder)trans-130.2134.1-179.2177.20000107.5L298 L311 L344L298-V300 PolarHBondContact O-N 3.12Å; V300-L311 HydrophobicContact CB-CB 4.13Å; V300-L311 HydrophobicContact CB-CD2 4.32Å; V300-L311 HydrophobicContact CG1-CB 4.36Å; V300-L311 HydrophobicContact CG1-CD2 4.2Å; V300-L311 WeakPolarHBondContact O-CB 3.39Å; V300-L311 PolarHBondContact O-N 2.75Å; V300-L344 HydrophobicContact CG1-CD2 3.4Å; V300-L344 VanDerWaalsContact CG1-CD2 3.4Å
301T92.9Very high92.8Very high68 Ų6854.5 Ų54.542%0.41730%0.295SS..EExtended strand (participates in β ladder)trans-106.6134175.6-57.90000109.2A345T301-A345 HydrophobicContact CG2-CB 4.07Å; T301-A345 PolarHBondContact O-N 2.79Å; T301-A345 VanDerWaalsContact O-N 3.16Å
302V93.8Very high93Very high3 Ų355.7 Ų55.72%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-114.5146.1174.1-69.30000109.6S308 S309 L311 A330 W332 V339 P342V302-S308 WeakPolarHBondContact O-CA 3.24Å; V302-S309 WeakPolarHBondContact CG2-O 3.25Å; V302-S309 PolarHBondContact N-O 2.71Å; V302-S309 PolarHBondContact O-N 3.06Å; V302-L311 HydrophobicContact CG1-CB 4.37Å; V302-L311 HydrophobicContact CG1-CD1 3.98Å; V302-L311 HydrophobicContact CG2-CD1 4.25Å; V302-A330 HydrophobicContact CG2-CB 3.8Å; V302-W332 HydrophobicContact CG2-CH2 3.94Å; V302-W332 HydrophobicContact CG2-CZ2 4.06Å; V302-V339 HydrophobicContact CG1-CG1 4.43Å; V302-V339 HydrophobicContact CG2-CG2 4.29Å; V302-P342 HydrophobicContact CG1-CB 3.86Å
303S92.1Very high93.1Very high50 Ų5059.1 Ų59.135%0.3531%0.312SS..EExtended strand (participates in β ladder)trans-115.5145.8-179.8-64.90000111.4Q307 A345S303-Q307 CarbonylContact C-O 3.57Å; S303-Q307 WeakPolarHBondContact CA-O 3.42Å; S303-A345 WeakPolarHBondContact OG-CB 3.31Å
304R87.9Confident93.2Very high116 Ų11659.1 Ų59.144%0.43831%0.312SS..EExtended strand (participates in β ladder)trans-145.5108.6173.2-174.5177.4178.5-144.9-3.7109.1D306 Q307 W332 E334 R337R304-D306 PolarHBondContact O-N 2.83Å; R304-Q307 PolarHBondContact N-O 2.9Å; R304-Q307 PolarHBondContact O-N 3.32Å; R304-Q307 VanDerWaalsContact O-N 3.12Å; R304-W332 HydrophobicContact CB-CE3 4.15Å; R304-W332 HydrophobicContact CB-CH2 3.54Å; R304-W332 HydrophobicContact CB-CZ2 3.99Å; R304-W332 HydrophobicContact CB-CZ3 3.63Å; R304-E334 IonicContact CZ-OE1 3.84Å; R304-E334 IonicContact NH1-OE1 2.92Å; R304-E334 PolarHBondContact NH1-OE1 3.16Å; R304-R337 VanDerWaalsContact NH1-CD 3.31Å
305G87.2Confident93.2Very high84 Ų8459.6 Ų59.687%0.86631%0.314SS*.THydrogen-bonded Turntrans61.6-124.6-172.600000110.9Q307G305-Q307 VanDerWaalsContact C-N 3.35Å
306D90.1Very high93.2Very high133 Ų13359.7 Ų59.771%0.71132%0.315SS*.THydrogen-bonded Turntrans-85.6-3.6177.765.9-33.2000113.8R304 R333R304-D306 PolarHBondContact O-N 2.83Å; D306-R333 IonicContact OD2-NH2 3.79Å
307Q92.3Very high93.2Very high47 Ų4759.1 Ų59.122%0.2232%0.319CS..EExtended strand (participates in β ladder)trans-101.8144.2-176.2-61.6178.361.100111.6S303 R304 G305 W332S303-Q307 CarbonylContact C-O 3.57Å; S303-Q307 WeakPolarHBondContact CA-O 3.42Å; R304-Q307 PolarHBondContact N-O 2.9Å; R304-Q307 PolarHBondContact O-N 3.32Å; R304-Q307 VanDerWaalsContact O-N 3.12Å; G305-Q307 VanDerWaalsContact C-N 3.35Å; Q307-W332 HydrophobicContact CB-CE3 3.82Å; Q307-W332 HydrophobicContact CB-CZ3 3.99Å
308S93.8Very high93Very high84 Ų8457.7 Ų57.759%0.58732%0.317SS*.EExtended strand (participates in β ladder)trans-123.8147.9166.9650000110.4V302V302-S308 WeakPolarHBondContact O-CA 3.24Å
309S94.9Very high92.9Very high12 Ų1256.2 Ų56.28%0.08431%0.311CS..EExtended strand (participates in β ladder)trans-150.5146.8179.3-163.30000110.7V302 L311 R312 V331V302-S309 WeakPolarHBondContact CG2-O 3.25Å; V302-S309 PolarHBondContact N-O 2.71Å; V302-S309 PolarHBondContact O-N 3.06Å; S309-L311 PolarHBondContact O-N 2.78Å; S309-R312 PolarHBondContact OG-NH1 2.97Å; S309-V331 VanDerWaalsContact CB-O 3.27Å; S309-V331 WeakPolarHBondContact CB-O 3.38Å; S309-V331 PolarHBondContact OG-N 3.25Å; S309-V331 PolarHBondContact OG-O 3.41Å
310A94.8Very high92.9Very high12 Ų1252.1 Ų52.110%0.09930%0.301CS..EExtended strand (participates in β ladder)trans-63.5130.9169.900000110R297 R312R297-A310 HydrophobicContact CG-CB 3.9Å; A310-R312 PolarHBondContact O-NH1 3.05Å
311L95.5Very high92.6Very high8 Ų852.1 Ų52.14%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-64138.6170.7-167.364000108.8L298 V300 V302 S309 D328 V339L298-L311 HydrophobicContact CB-CB 4.35Å; L298-L311 WeakPolarHBondContact CB-O 3.5Å; L298-L311 HydrophobicContact CD1-CB 4.49Å; L298-L311 HydrophobicContact CD1-CD2 3.91Å; L298-L311 HydrophobicContact CD1-CG 4.07Å; L298-L311 PolarHBondContact N-O 3.02Å; V300-L311 HydrophobicContact CB-CB 4.13Å; V300-L311 HydrophobicContact CB-CD2 4.32Å; V300-L311 HydrophobicContact CG1-CB 4.36Å; V300-L311 HydrophobicContact CG1-CD2 4.2Å; V300-L311 WeakPolarHBondContact O-CB 3.39Å; V300-L311 PolarHBondContact O-N 2.75Å; V302-L311 HydrophobicContact CG1-CB 4.37Å; V302-L311 HydrophobicContact CG1-CD1 3.98Å; V302-L311 HydrophobicContact CG2-CD1 4.25Å; S309-L311 PolarHBondContact O-N 2.78Å; L311-D328 HydrophobicContact CD1-CB 3.94Å; L311-D328 HydrophobicContact CG-CB 4.32Å; L311-V339 HydrophobicContact CD1-CB 3.97Å; L311-V339 HydrophobicContact CD1-CG1 4.15Å; L311-V339 HydrophobicContact CD1-CG2 3.82Å
312R96.2Very high92.5Very high27 Ų2749.8 Ų49.810%0.10228%0.282CS..EExtended strand (participates in β ladder)trans-129145.1178.6-67.8155.2173.197.3-4108.4A111 R296 S309 A310 D328 V329A111-R312 WeakPolarHBondContact O-CD 3.26Å; A111-R312 WeakPolarHBondContact O-CG 3.25Å; A111-R312 PolarHBondContact O-NE 2.95Å; R296-R312 CarbonylContact O-C 3.51Å; R296-R312 WeakPolarHBondContact O-CA 3.29Å; S309-R312 PolarHBondContact OG-NH1 2.97Å; A310-R312 PolarHBondContact O-NH1 3.05Å; R312-D328 CarbonylContact O-C 3.53Å; R312-D328 VanDerWaalsContact O-CA 3.31Å; R312-D328 WeakPolarHBondContact O-CA 3.34Å; R312-V329 WeakPolarHBondContact CA-O 3.39Å; R312-V329 HydrophobicContact CB-CG2 3.85Å; R312-V329 WeakPolarHBondContact CB-O 3.2Å; R312-V329 PolarHBondContact N-O 3.24Å; R312-V329 PolarHBondContact O-N 3.21Å; R312-V329 VanDerWaalsContact O-O 3.12Å
313R95.8Very high92.4Very high96 Ų9652.6 Ų52.636%0.36231%0.306SS..EExtended strand (participates in β ladder)trans-110.9124.1174.5-177161.7-68.5166.81.3109.6M295 R296 L298 D328M295-R313 WeakPolarHBondContact CA-O 3.42Å; R296-R313 PolarHBondContact N-O 3.03Å; R296-R313 PolarHBondContact O-N 3.03Å; L298-R313 HydrophobicContact CD1-CB 4.25Å; L298-R313 HydrophobicContact CD2-CB 4.47Å; L298-R313 HydrophobicContact CG-CB 4.48Å; R313-D328 WeakPolarHBondContact CB-OD1 3.27Å; R313-D328 WeakPolarHBondContact CG-OD1 2.99Å; R313-D328 IonicContact CZ-OD1 3.07Å; R313-D328 IonicContact CZ-OD2 3.87Å; R313-D328 IonicContact NE-OD1 3.28Å; R313-D328 PolarHBondContact NE-OD1 2.93Å; R313-D328 IonicContact NE-OD2 3.46Å; R313-D328 IonicContact NH2-OD1 3.34Å; R313-D328 PolarHBondContact NH2-OD1 3.02Å; R313-D328 IonicContact NH2-OD2 2.76Å; R313-D328 PolarHBondContact NH2-OD2 2.87Å
314L96.6Very high92.3Very high0 Ų059.2 Ų59.20%032%0.323CS..EExtended strand (participates in β ladder)trans-99.3119168.5-169.971.3000109L89 L92 L105 L293 M294 M295 S326 R327L89-L314 HydrophobicContact CD1-CD2 3.81Å; L89-L314 HydrophobicContact CD2-CB 4.11Å; L89-L314 HydrophobicContact CD2-CD2 3.45Å; L89-L314 VanDerWaalsContact CD2-CD2 3.45Å; L89-L314 HydrophobicContact CD2-CG 4.4Å; L89-L314 HydrophobicContact CG-CD2 4.19Å; L92-L314 HydrophobicContact CD2-CB 4.49Å; L92-L314 HydrophobicContact CD2-CD2 4.19Å; L92-L314 HydrophobicContact CD2-CG 4.36Å; L105-L314 HydrophobicContact CD1-CD1 3.43Å; L105-L314 VanDerWaalsContact CD1-CD1 3.43Å; L293-L314 HydrophobicContact CB-CD1 4.02Å; L293-L314 HydrophobicContact CD1-CD2 4.29Å; M294-L314 CarbonylContact O-C 3.55Å; M294-L314 WeakPolarHBondContact O-CA 3.31Å; M295-L314 HydrophobicContact CB-CD1 3.93Å; M295-L314 HydrophobicContact CE-CD1 3.84Å; M295-L314 HydrophobicContact CG-CD1 4.48Å; L314-S326 CarbonylContact O-C 3.58Å; L314-S326 WeakPolarHBondContact O-CA 3.48Å; L314-S326 VanDerWaalsContact O-CB 3.32Å; L314-S326 WeakPolarHBondContact O-CB 3.44Å; L314-R327 PolarHBondContact N-O 2.76Å; L314-R327 PolarHBondContact O-N 3.18Å
315E95.9Very high92.6Very high25 Ų2556 Ų5612%0.11732%0.318CS..EExtended strand (participates in β ladder)trans-112.9135.8179.9-176.4-175.5169.600110.3L293 M294 R296 V317 R324L293-E315 CarbonylContact C-O 3.59Å; L293-E315 VanDerWaalsContact CA-O 3.31Å; L293-E315 WeakPolarHBondContact CA-O 3.17Å; M294-E315 PolarHBondContact N-O 2.76Å; M294-E315 PolarHBondContact O-N 2.92Å; R296-E315 IonicContact NH1-OE2 2.81Å; R296-E315 PolarHBondContact NH1-OE2 3.28Å; R296-E315 VanDerWaalsContact NH1-OE2 3.07Å; E315-V317 PolarHBondContact O-N 2.81Å; E315-R324 IonicContact OE1-CZ 3.46Å; E315-R324 IonicContact OE1-NE 3.74Å; E315-R324 PolarHBondContact OE1-NE 2.89Å; E315-R324 IonicContact OE1-NH2 2.75Å; E315-R324 PolarHBondContact OE1-NH2 3.21Å
316V95.4Very high93Very high2 Ų254.3 Ų54.31%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-78.7105.3166.3-1800000108.1L92 L93 L293 A319 L322 S325L92-V316 HydrophobicContact CD1-CG2 3.91Å; L92-V316 HydrophobicContact CD2-CG2 4.26Å; L92-V316 HydrophobicContact CG-CG2 3.91Å; L93-V316 HydrophobicContact CD2-CG2 4.34Å; L293-V316 HydrophobicContact CD2-CB 4.35Å; L293-V316 HydrophobicContact CD2-CG2 3.88Å; V316-A319 HydrophobicContact CG1-CB 4Å; V316-L322 HydrophobicContact CG1-CB 4.08Å; V316-L322 HydrophobicContact CG1-CD1 4.22Å; V316-L322 HydrophobicContact CG2-CD1 4.21Å; V316-S325 PolarHBondContact N-O 2.68Å
317V92.2Very high93.3Very high62 Ų6252.8 Ų52.838%0.37628%0.278SS..EExtended strand (participates in β ladder)trans-81.8-43.2178.9179.20000110.6R292 M294 E315R292-V317 HydrophobicContact CB-CB 4.46Å; R292-V317 HydrophobicContact CG-CB 4.1Å; R292-V317 HydrophobicContact CG-CG1 4.5Å; R292-V317 PolarHBondContact O-N 3.07Å; M294-V317 HydrophobicContact CB-CG2 3.44Å; M294-V317 VanDerWaalsContact CB-CG2 3.44Å; E315-V317 PolarHBondContact O-N 2.81Å
318F90Very high93.5Very high97 Ų9752.2 Ų52.243%0.42528%0.276SS..EExtended strand (participates in β ladder)trans-148.3129.3178.6170.3-96.5000110.3V289 V291 R292V289-F318 WeakPolarHBondContact O-CE1 3.48Å; V291-F318 CarbonylContact C-O 3.5Å; V291-F318 WeakPolarHBondContact CA-O 3.41Å; R292-F318 HydrophobicContact CB-CB 4.07Å; R292-F318 PolarHBondContact N-O 3.34Å; R292-F318 PolarHBondContact O-N 3.12Å; R292-F318 VanDerWaalsContact O-N 3.16Å
319A91.6Very high93.6Very high12 Ų1248.2 Ų48.210%0.09925%0.248CC..  trans-164.8131.9164.500000107.9V291 V316 H321 L322V291-A319 HydrophobicContact CB-CB 4.46Å; V291-A319 HydrophobicContact CG1-CB 4.25Å; V291-A319 HydrophobicContact CG2-CB 4.05Å; V316-A319 HydrophobicContact CG1-CB 4Å; A319-H321 PolarHBondContact O-N 2.86Å; A319-H321 VanDerWaalsContact O-N 3.16Å; A319-L322 HydrophobicContact CB-CB 3.88Å; A319-L322 HydrophobicContact CB-CD1 3.88Å; A319-L322 HydrophobicContact CB-CG 3.94Å; A319-L322 PolarHBondContact O-N 2.8Å
320P88.9Confident93.7Very high103 Ų10347.6 Ų47.667%0.66924%0.244SC*.THydrogen-bonded Turntrans-66.3-21.7-175.424.7-32.8000113.3T290T290-P320 WeakPolarHBondContact O-CD 3.5Å
321H87.3Confident93.8Very high53 Ų5348 Ų4825%0.24525%0.245CC..THydrogen-bonded Turntrans-111.11.7-173.763-85.7000114.1R81 R94 A319R81-H321 PolarHBondContact NH1-NE2 3.16Å; R81-H321 VanDerWaalsContact NH1-NE2 3.15Å; R81-H321 PolarHBondContact NH2-CD2 2.97Å; R81-H321 PolarHBondContact NH2-NE2 3.33Å; R94-H321 PolarHBondContact NH1-O 3.04Å; A319-H321 PolarHBondContact O-N 2.86Å; A319-H321 VanDerWaalsContact O-N 3.16Å
322L91.1Very high93.8Very high20 Ų2048.3 Ų48.311%0.10525%0.246CC..SBendtrans-121.4145.3-179-56.4174.7000110.4L93 R94 V316 A319L93-L322 HydrophobicContact CD2-CD1 3.88Å; R94-L322 HydrophobicContact CB-CD2 4Å; R94-L322 HydrophobicContact CG-CD2 3.62Å; V316-L322 HydrophobicContact CG1-CB 4.08Å; V316-L322 HydrophobicContact CG1-CD1 4.22Å; V316-L322 HydrophobicContact CG2-CD1 4.21Å; A319-L322 HydrophobicContact CB-CB 3.88Å; A319-L322 HydrophobicContact CB-CD1 3.88Å; A319-L322 HydrophobicContact CB-CG 3.94Å; A319-L322 PolarHBondContact O-N 2.8Å
323A89.9Confident93.8Very high62 Ų6252.2 Ų52.251%0.51226%0.26SS..  trans-74.3145.2169.100000110.1S325A323-S325 PolarHBondContact O-N 2.77Å; A323-S325 PolarHBondContact O-OG 2.94Å
324R91.3Very high93.8Very high188 Ų18848.1 Ų48.171%0.70925%0.246SC*.SBendtrans-61.4112170.2-174.7169.3-173.4178.81.2108.9E315E315-R324 IonicContact OE1-CZ 3.46Å; E315-R324 IonicContact OE1-NE 3.74Å; E315-R324 PolarHBondContact OE1-NE 2.89Å; E315-R324 IonicContact OE1-NH2 2.75Å; E315-R324 PolarHBondContact OE1-NH2 3.21Å
325S93.6Very high93.8Very high48 Ų4848.1 Ų48.134%0.33625%0.246SC..  trans-156.3165.4-174.852.40000109.3L92 V316 A323L92-S325 WeakPolarHBondContact CD1-OG 3.18Å; V316-S325 PolarHBondContact N-O 2.68Å; A323-S325 PolarHBondContact O-N 2.77Å; A323-S325 PolarHBondContact O-OG 2.94Å
326S95.5Very high93.8Very high50 Ų5047 Ų4735%0.3524%0.24SC..EExtended strand (participates in β ladder)trans-140.6155.7179.565.70000111.7L314L314-S326 CarbonylContact O-C 3.58Å; L314-S326 WeakPolarHBondContact O-CA 3.48Å; L314-S326 VanDerWaalsContact O-CB 3.32Å; L314-S326 WeakPolarHBondContact O-CB 3.44Å
327R96.1Very high93.8Very high100 Ų10049.3 Ų49.338%0.37725%0.249SC..EExtended strand (participates in β ladder)trans-134.9145.5173-68.7-62.8-173.4-173.80.7110.4V88 L89 L92 L314V88-R327 HydrophobicContact CG1-CB 3.64Å; V88-R327 HydrophobicContact CG1-CG 3.69Å; L89-R327 HydrophobicContact CD2-CB 4.39Å; L92-R327 HydrophobicContact CB-CG 3.93Å; L92-R327 HydrophobicContact CD1-CG 4.21Å; L92-R327 HydrophobicContact CD2-CB 4.22Å; L92-R327 HydrophobicContact CD2-CG 4.17Å; L92-R327 HydrophobicContact CG-CG 4.33Å; L314-R327 PolarHBondContact N-O 2.76Å; L314-R327 PolarHBondContact O-N 3.18Å
328D96.6Very high93.9Very high35 Ų3547.4 Ų47.419%0.18724%0.242CC..EExtended strand (participates in β ladder)trans-90.3137.7176.8-67.2-18.5000110.1L311 R312 R313 G338 V339L311-D328 HydrophobicContact CD1-CB 3.94Å; L311-D328 HydrophobicContact CG-CB 4.32Å; R312-D328 CarbonylContact O-C 3.53Å; R312-D328 VanDerWaalsContact O-CA 3.31Å; R312-D328 WeakPolarHBondContact O-CA 3.34Å; R313-D328 WeakPolarHBondContact CB-OD1 3.27Å; R313-D328 WeakPolarHBondContact CG-OD1 2.99Å; R313-D328 IonicContact CZ-OD1 3.07Å; R313-D328 IonicContact CZ-OD2 3.87Å; R313-D328 IonicContact NE-OD1 3.28Å; R313-D328 PolarHBondContact NE-OD1 2.93Å; R313-D328 IonicContact NE-OD2 3.46Å; R313-D328 IonicContact NH2-OD1 3.34Å; R313-D328 PolarHBondContact NH2-OD1 3.02Å; R313-D328 IonicContact NH2-OD2 2.76Å; R313-D328 PolarHBondContact NH2-OD2 2.87Å; D328-G338 WeakPolarHBondContact O-CA 3.21Å; D328-V339 PolarHBondContact O-N 3.28Å
329V96.6Very high94Very high0 Ų044 Ų440%023%0.229CC..EExtended strand (participates in β ladder)trans-140.3158.9-174.9-58.50000110L89 R312 L336 R337L89-V329 HydrophobicContact CD1-CG1 4.35Å; L89-V329 HydrophobicContact CD2-CG1 3.53Å; L89-V329 HydrophobicContact CG-CG1 3.95Å; R312-V329 WeakPolarHBondContact CA-O 3.39Å; R312-V329 HydrophobicContact CB-CG2 3.85Å; R312-V329 WeakPolarHBondContact CB-O 3.2Å; R312-V329 PolarHBondContact N-O 3.24Å; R312-V329 PolarHBondContact O-N 3.21Å; R312-V329 VanDerWaalsContact O-O 3.12Å; V329-L336 HydrophobicContact CB-CD2 3.79Å; V329-L336 HydrophobicContact CB-CG 4.23Å; V329-L336 HydrophobicContact CG1-CD2 3.88Å; V329-L336 HydrophobicContact CG2-CD1 4.2Å; V329-L336 HydrophobicContact CG2-CD2 4.07Å; V329-L336 HydrophobicContact CG2-CG 4.23Å; V329-R337 CarbonylContact C-O 3.59Å; V329-R337 WeakPolarHBondContact CA-O 3.4Å; V329-R337 WeakPolarHBondContact CB-O 3.41Å
330A96.8Very high93.3Very high0 Ų049.5 Ų49.50%026%0.256CS..EExtended strand (participates in β ladder)trans-137.6155.9173.800000109.8V302 W332 L336 R337 V339V302-A330 HydrophobicContact CG2-CB 3.8Å; A330-W332 HydrophobicContact CB-CD2 4.46Å; A330-W332 HydrophobicContact CB-CH2 4.26Å; A330-W332 HydrophobicContact CB-CZ2 3.45Å; A330-W332 VanDerWaalsContact CB-CZ2 3.45Å; A330-L336 WeakPolarHBondContact O-CA 3.48Å; A330-R337 PolarHBondContact N-O 3.33Å; A330-R337 PolarHBondContact O-N 2.79Å; A330-V339 HydrophobicContact CB-CG2 3.77Å
331V96.6Very high92.3Very high21 Ų2151.2 Ų51.213%0.12726%0.26CS..EExtended strand (participates in β ladder)trans-102.6116.6179.3178.50000108.1Q115 S309Q115-V331 HydrophobicContact CB-CG1 4.36Å; Q115-V331 HydrophobicContact CB-CG2 4.23Å; Q115-V331 HydrophobicContact CG-CG1 3.72Å; Q115-V331 HydrophobicContact CG-CG2 3.95Å; S309-V331 VanDerWaalsContact CB-O 3.27Å; S309-V331 WeakPolarHBondContact CB-O 3.38Å; S309-V331 PolarHBondContact OG-N 3.25Å; S309-V331 PolarHBondContact OG-O 3.41Å
332W96.4Very high91Very high14 Ų1451.9 Ų51.95%0.05327%0.269CS..EExtended strand (participates in β ladder)trans-112176.2-178.9-51103.9000110.8R150 V302 R304 Q307 A330 E334 G335R150-W332 PolarHBondContact NH2-O 3.14Å; V302-W332 HydrophobicContact CG2-CH2 3.94Å; V302-W332 HydrophobicContact CG2-CZ2 4.06Å; R304-W332 HydrophobicContact CB-CE3 4.15Å; R304-W332 HydrophobicContact CB-CH2 3.54Å; R304-W332 HydrophobicContact CB-CZ2 3.99Å; R304-W332 HydrophobicContact CB-CZ3 3.63Å; Q307-W332 HydrophobicContact CB-CE3 3.82Å; Q307-W332 HydrophobicContact CB-CZ3 3.99Å; A330-W332 HydrophobicContact CB-CD2 4.46Å; A330-W332 HydrophobicContact CB-CH2 4.26Å; A330-W332 HydrophobicContact CB-CZ2 3.45Å; A330-W332 VanDerWaalsContact CB-CZ2 3.45Å; W332-E334 HydrophobicContact CB-CG 4.45Å; W332-E334 VanDerWaalsContact CB-OE2 3.24Å; W332-E334 WeakPolarHBondContact CB-OE2 3.39Å; W332-E334 PolarHBondContact O-N 2.9Å; W332-G335 PolarHBondContact N-O 3.39Å; W332-G335 PolarHBondContact O-N 2.8Å; W332-G335 VanDerWaalsContact O-N 3.08Å
333R96.2Very high89.5Confident108 Ų10856 Ų5641%0.40829%0.294SS..THydrogen-bonded Turntrans-50.2-47.5173.2-171179.9-64.6-178.97111.1R150 Q153 E157 D306 G335R150-R333 PolarHBondContact NH1-O 2.91Å; Q153-R333 HydrophobicContact CG-CG 4.31Å; E157-R333 HydrophobicContact CG-CG 4.1Å; E157-R333 WeakPolarHBondContact OE1-CD 3.37Å; D306-R333 IonicContact OD2-NH2 3.79Å; R333-G335 VanDerWaalsContact C-N 3.31Å; R333-G335 PolarHBondContact O-N 2.79Å
334E95.6Very high88.1Confident11 Ų1158.5 Ų58.55%0.05130%0.299CS..THydrogen-bonded Turntrans-76.7-13.5-17869.6-96.5-140.200115.4L154 E157 L161 R304 W332 R337L154-E334 WeakPolarHBondContact CD2-O 3.32Å; E157-E334 VanDerWaalsContact CB-CA 3.45Å; E157-E334 HydrophobicContact CB-CB 3.62Å; E157-E334 HydrophobicContact CG-CB 4.35Å; L161-E334 HydrophobicContact CB-CB 4.18Å; L161-E334 HydrophobicContact CB-CG 4.28Å; L161-E334 HydrophobicContact CD1-CG 3.99Å; R304-E334 IonicContact CZ-OE1 3.84Å; R304-E334 IonicContact NH1-OE1 2.92Å; R304-E334 PolarHBondContact NH1-OE1 3.16Å; W332-E334 HydrophobicContact CB-CG 4.45Å; W332-E334 VanDerWaalsContact CB-OE2 3.24Å; W332-E334 WeakPolarHBondContact CB-OE2 3.39Å; W332-E334 PolarHBondContact O-N 2.9Å; E334-R337 IonicContact OE1-CZ 2.69Å; E334-R337 VanDerWaalsContact OE1-CZ 3.31Å; E334-R337 IonicContact OE1-NE 3.53Å; E334-R337 PolarHBondContact OE1-NE 3.18Å; E334-R337 IonicContact OE1-NH2 3.3Å; E334-R337 PolarHBondContact OE1-NH2 2.73Å
335G96.1Very high86.4Confident0 Ų050.9 Ų50.90%028%0.276CS..EExtended strand (participates in β ladder)trans132.9-164.5-178.100000113.5W332 R333W332-G335 PolarHBondContact N-O 3.39Å; W332-G335 PolarHBondContact O-N 2.8Å; W332-G335 VanDerWaalsContact O-N 3.08Å; R333-G335 VanDerWaalsContact C-N 3.31Å; R333-G335 PolarHBondContact O-N 2.79Å
336L96.2Very high84.1Confident0 Ų058.1 Ų58.10%032%0.321CS..EExtended strand (participates in β ladder)trans-83.8124.5-179.7-172.1154000109.8C86 L89 L116 Q119 M295 V329 A330C86-L336 HydrophobicContact CB-CD2 4.41Å; L89-L336 HydrophobicContact CD1-CD2 3.49Å; L89-L336 VanDerWaalsContact CD1-CD2 3.49Å; L89-L336 HydrophobicContact CG-CD2 4.22Å; L116-L336 HydrophobicContact CB-CD1 4.38Å; Q119-L336 PolarHBondContact NE2-O 2.85Å; Q119-L336 PolarHBondContact OE1-O 3.05Å; M295-L336 HydrophobicContact CE-CD1 3.82Å; V329-L336 HydrophobicContact CB-CD2 3.79Å; V329-L336 HydrophobicContact CB-CG 4.23Å; V329-L336 HydrophobicContact CG1-CD2 3.88Å; V329-L336 HydrophobicContact CG2-CD1 4.2Å; V329-L336 HydrophobicContact CG2-CD2 4.07Å; V329-L336 HydrophobicContact CG2-CG 4.23Å; A330-L336 WeakPolarHBondContact O-CA 3.48Å
337R95.4Very high83.5Confident51 Ų5158.5 Ų58.519%0.19232%0.32CS..EExtended strand (participates in β ladder)trans-129.1154.8174.7-65.8-167.6-170.7-124.612.5112S160 L161 R304 V329 A330 E334S160-R337 VanDerWaalsContact C-NH2 3.27Å; S160-R337 PolarHBondContact O-NH2 2.94Å; L161-R337 HydrophobicContact CD1-CG 3.84Å; R304-R337 VanDerWaalsContact NH1-CD 3.31Å; V329-R337 CarbonylContact C-O 3.59Å; V329-R337 WeakPolarHBondContact CA-O 3.4Å; V329-R337 WeakPolarHBondContact CB-O 3.41Å; A330-R337 PolarHBondContact N-O 3.33Å; A330-R337 PolarHBondContact O-N 2.79Å; E334-R337 IonicContact OE1-CZ 2.69Å; E334-R337 VanDerWaalsContact OE1-CZ 3.31Å; E334-R337 IonicContact OE1-NE 3.53Å; E334-R337 PolarHBondContact OE1-NE 3.18Å; E334-R337 IonicContact OE1-NH2 3.3Å; E334-R337 PolarHBondContact OE1-NH2 2.73Å
338G93.8Very high82.9Confident23 Ų2356.3 Ų56.324%0.23732%0.317CS..EExtended strand (participates in β ladder)trans-68.6148.8169.800000112.6C86 D328C86-G338 PolarHBondContact SG-N 2.98Å; D328-G338 WeakPolarHBondContact O-CA 3.21Å
339V92.2Very high82.1Confident24 Ų2457.5 Ų57.515%0.14532%0.324CS..  trans-111.5109.3172.4-179.20000106.3V302 L311 D328 A330 P342V302-V339 HydrophobicContact CG1-CG1 4.43Å; V302-V339 HydrophobicContact CG2-CG2 4.29Å; L311-V339 HydrophobicContact CD1-CB 3.97Å; L311-V339 HydrophobicContact CD1-CG1 4.15Å; L311-V339 HydrophobicContact CD1-CG2 3.82Å; D328-V339 PolarHBondContact O-N 3.28Å; A330-V339 HydrophobicContact CB-CG2 3.77Å; V339-P342 HydrophobicContact CG1-CB 4.03Å
340L76.6Confident81.2Confident128 Ų12860.9 Ų60.967%0.6734%0.343SS*.SBendtrans-84.8-40.9-179-67.5173.6000111.3V88V88-L340 HydrophobicContact CG2-CD2 3.74Å; V88-L340 HydrophobicContact CG2-CG 4.17Å
341D68.3Low80.3Confident140 Ų14064.7 Ų64.775%0.74937%0.365SS*.SBendtrans-130.4109.2173.9-63.6-50.6000108.8V343D341-V343 PolarHBondContact O-N 2.89Å
342P61.1Low79.2Confident67 Ų6767.6 Ų67.644%0.43538%0.381SS..  trans-72.4102.6179.927.7-31.2000109.5V302 V339 L344V302-P342 HydrophobicContact CG1-CB 3.86Å; V339-P342 HydrophobicContact CG1-CB 4.03Å; P342-L344 PolarHBondContact O-N 3.25Å; P342-L344 VanDerWaalsContact O-N 3.14Å
343V59.5Low78Confident106 Ų10671.4 Ų71.464%0.64240%0.404SS*.  trans-72.3105160.5-175.60000106.4D341 A345D341-V343 PolarHBondContact O-N 2.89Å; V343-A345 PolarHBondContact O-N 2.91Å
344L59.2Low76.6Confident115 Ų11568.6 Ų68.660%0.60240%0.404SS*.BIsolated β-bridgetrans-64129179.3-63.4174.2000108.8V300 P342V300-L344 HydrophobicContact CG1-CD2 3.4Å; V300-L344 VanDerWaalsContact CG1-CD2 3.4Å; P342-L344 PolarHBondContact O-N 3.25Å; P342-L344 VanDerWaalsContact O-N 3.14Å
345A55.4Low75Confident28 Ų2873.4 Ų73.423%0.23143%0.433CS..  trans-64.5141.6166.900000108.8T301 S303 V343T301-A345 HydrophobicContact CG2-CB 4.07Å; T301-A345 PolarHBondContact O-N 2.79Å; T301-A345 VanDerWaalsContact O-N 3.16Å; S303-A345 WeakPolarHBondContact OG-CB 3.31Å; V343-A345 PolarHBondContact O-N 2.91Å
346P46Very low73.1Confident199 Ų19980.1 Ų80.1100%1.29247%0.472SS*.  trans-60.8017826.5-34.5000113.1

Retrieved 346 of 346 residues in 2155.2 ms (Link to these results)

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