A0A060X0J4_ONCMY Loading...

Protein S100

AlphaFold DB , UniProt , Accession A0A060X0J4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 92 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
1M66.3Low87.4Confident169 Ų16992.2 Ų92.283%0.83352%0.52SS*.  01420-74.2-169.9-16700108.1Q5 Q6M1-Q5 VanDerWaalsContact CA-OE1 3.29Å; M1-Q5 HydrophobicContact CB-CB 3.99Å; M1-Q5 HydrophobicContact CG-CB 4.37Å; M1-Q5 HydrophobicContact SD-CB 4.41Å; M1-Q6 HydrophobicContact CB-CG 3.81Å; M1-Q6 HydrophobicContact SD-CG 4.48Å
2S91.6Very high87.6Confident61 Ų6190.5 Ų90.543%0.42751%0.508SS..  trans-68.3159.7170.366.30000110.4I4 Q5 Q6S2-I4 PolarHBondContact O-N 3.48Å; S2-Q5 WeakPolarHBondContact O-CB 3.3Å; S2-Q5 PolarHBondContact O-N 2.73Å; S2-Q5 WeakPolarHBondContact OG-CG 3.24Å; S2-Q5 PolarHBondContact OG-N 2.77Å; S2-Q6 PolarHBondContact O-N 2.95Å
3G91.1Very high87.8Confident53 Ų5387.8 Ų87.855%0.54650%0.504SS..Hα-helixtrans-56.3-35.3179.200000113Q6 A7G3-Q6 PolarHBondContact O-N 2.76Å; G3-A7 PolarHBondContact O-N 3.27Å
4I87.7Confident88Confident127 Ų12782.9 Ų82.965%0.65148%0.478SS*.Hα-helixtrans-65.6-44.3175.2-61.9174.5000111.1S2 Q6 A7 M8S2-I4 PolarHBondContact O-N 3.48Å; I4-Q6 VanDerWaalsContact C-N 3.3Å; I4-Q6 PolarHBondContact O-N 3.43Å; I4-A7 PolarHBondContact O-N 2.88Å; I4-M8 HydrophobicContact CG2-CG 4.5Å; I4-M8 HydrophobicContact CG2-SD 4.25Å; I4-M8 WeakPolarHBondContact O-CG 3.3Å; I4-M8 PolarHBondContact O-N 2.91Å
5Q88.3Confident88.1Confident105 Ų10577.5 Ų77.549%0.49145%0.446SS..Hα-helixtrans-62.4-37.9176.7-75.7173.5-20.700112M1 S2 S9M1-Q5 VanDerWaalsContact CA-OE1 3.29Å; M1-Q5 HydrophobicContact CB-CB 3.99Å; M1-Q5 HydrophobicContact CG-CB 4.37Å; M1-Q5 HydrophobicContact SD-CB 4.41Å; S2-Q5 WeakPolarHBondContact O-CB 3.3Å; S2-Q5 PolarHBondContact O-N 2.73Å; S2-Q5 WeakPolarHBondContact OG-CG 3.24Å; S2-Q5 PolarHBondContact OG-N 2.77Å; Q5-S9 WeakPolarHBondContact O-CB 3.44Å; Q5-S9 PolarHBondContact O-N 2.86Å
6Q90.4Very high88.1Confident110 Ų11078.5 Ų78.551%0.51445%0.445SS..Hα-helixtrans-66.2-44174.9-69179.9-60.600111.7M1 S2 G3 I4 M8 S9 L10M1-Q6 HydrophobicContact CB-CG 3.81Å; M1-Q6 HydrophobicContact SD-CG 4.48Å; S2-Q6 PolarHBondContact O-N 2.95Å; G3-Q6 PolarHBondContact O-N 2.76Å; I4-Q6 VanDerWaalsContact C-N 3.3Å; I4-Q6 PolarHBondContact O-N 3.43Å; Q6-M8 PolarHBondContact O-N 3.16Å; Q6-S9 PolarHBondContact O-N 3.24Å; Q6-L10 WeakPolarHBondContact O-CG 3.19Å; Q6-L10 PolarHBondContact O-N 3.25Å
7A88.1Confident88.2Confident51 Ų5181.1 Ų81.142%0.42145%0.451SS..Hα-helixtrans-60-45176.300000111.8G3 I4 S9 L10 L11G3-A7 PolarHBondContact O-N 3.27Å; I4-A7 PolarHBondContact O-N 2.88Å; A7-S9 PolarHBondContact O-N 3.33Å; A7-L10 PolarHBondContact O-N 2.72Å; A7-L11 WeakPolarHBondContact O-CB 3.44Å; A7-L11 PolarHBondContact O-N 3.3Å
8M88.8Confident88.2Confident114 Ų11477.2 Ų77.256%0.56243%0.428SS*.Hα-helixtrans-60.3-45.1175-70177.773.100111.7I4 Q6 L10 L11 I12I4-M8 HydrophobicContact CG2-CG 4.5Å; I4-M8 HydrophobicContact CG2-SD 4.25Å; I4-M8 WeakPolarHBondContact O-CG 3.3Å; I4-M8 PolarHBondContact O-N 2.91Å; Q6-M8 PolarHBondContact O-N 3.16Å; M8-L10 VanDerWaalsContact C-N 3.31Å; M8-L10 PolarHBondContact O-N 3.36Å; M8-L11 WeakPolarHBondContact O-CB 3.34Å; M8-L11 PolarHBondContact O-N 2.87Å; M8-I12 WeakPolarHBondContact O-CD1 3.38Å; M8-I12 VanDerWaalsContact O-CG1 3.28Å; M8-I12 WeakPolarHBondContact O-CG1 3.35Å; M8-I12 PolarHBondContact O-N 3.02Å
9S90.1Very high88.1Confident61 Ų6173.7 Ų73.743%0.42741%0.409SS..Hα-helixtrans-61.8-39.4177.7-171.40000112.1Q5 Q6 A7 A13Q5-S9 WeakPolarHBondContact O-CB 3.44Å; Q5-S9 PolarHBondContact O-N 2.86Å; Q6-S9 PolarHBondContact O-N 3.24Å; A7-S9 PolarHBondContact O-N 3.33Å; S9-A13 VanDerWaalsContact O-CB 3.24Å; S9-A13 WeakPolarHBondContact O-CB 3.23Å; S9-A13 PolarHBondContact O-N 3.33Å
10L89.9Confident87.6Confident117 Ų11771.2 Ų71.261%0.61340%0.401SS*.Hα-helixtrans-67.2-42.5176.5-74168.4000111.5Q6 A7 M8 I12 A13 S14Q6-L10 WeakPolarHBondContact O-CG 3.19Å; Q6-L10 PolarHBondContact O-N 3.25Å; A7-L10 PolarHBondContact O-N 2.72Å; M8-L10 VanDerWaalsContact C-N 3.31Å; M8-L10 PolarHBondContact O-N 3.36Å; L10-I12 VanDerWaalsContact C-N 3.35Å; L10-I12 PolarHBondContact O-N 2.78Å; L10-A13 PolarHBondContact O-N 3.08Å; L10-S14 WeakPolarHBondContact O-CB 3.35Å; L10-S14 PolarHBondContact O-N 3.4Å; L10-S14 PolarHBondContact O-OG 2.86Å
11L89.4Confident87.1Confident46 Ų4673.3 Ų73.324%0.24141%0.406CS..Hα-helixtrans-58.7-46.7176.9-126.6133.7000111.5A7 M8 F15 Y74 V75 V78A7-L11 WeakPolarHBondContact O-CB 3.44Å; A7-L11 PolarHBondContact O-N 3.3Å; M8-L11 WeakPolarHBondContact O-CB 3.34Å; M8-L11 PolarHBondContact O-N 2.87Å; L11-F15 PolarHBondContact O-N 3.29Å; L11-Y74 HydrophobicContact CD2-CD1 4.11Å; L11-Y74 HydrophobicContact CD2-CE1 3.57Å; L11-Y74 HydrophobicContact CG-CE1 4.35Å; L11-V75 HydrophobicContact CD2-CG2 3.97Å; L11-V78 HydrophobicContact CD1-CG1 3.83Å; L11-V78 HydrophobicContact CD2-CB 4.23Å; L11-V78 HydrophobicContact CD2-CG1 4.29Å; L11-V78 HydrophobicContact CD2-CG2 4.14Å; L11-V78 HydrophobicContact CG-CG1 4.3Å
12I90.2Very high87.3Confident72 Ų7271.1 Ų71.137%0.36940%0.398SS..Hα-helixtrans-65-45.8177.4-65.5163.9000110.5M8 L10 F15 H16 F71M8-I12 WeakPolarHBondContact O-CD1 3.38Å; M8-I12 VanDerWaalsContact O-CG1 3.28Å; M8-I12 WeakPolarHBondContact O-CG1 3.35Å; M8-I12 PolarHBondContact O-N 3.02Å; L10-I12 VanDerWaalsContact C-N 3.35Å; L10-I12 PolarHBondContact O-N 2.78Å; I12-F15 PolarHBondContact O-N 3.36Å; I12-H16 PolarHBondContact O-CD2 3.06Å; I12-H16 PolarHBondContact O-N 3.19Å; I12-F71 HydrophobicContact CG1-CE2 3.97Å; I12-F71 HydrophobicContact CG1-CZ 3.61Å
13A90.1Very high86.2Confident55 Ų5571 Ų7146%0.45541%0.405SS..Hα-helixtrans-63.8-42179.600000111.9S9 L10 H16 K17S9-A13 VanDerWaalsContact O-CB 3.24Å; S9-A13 WeakPolarHBondContact O-CB 3.23Å; S9-A13 PolarHBondContact O-N 3.33Å; L10-A13 PolarHBondContact O-N 3.08Å; A13-H16 PolarHBondContact O-N 2.69Å; A13-K17 WeakPolarHBondContact O-CB 3.22Å; A13-K17 PolarHBondContact O-N 3.26Å
14S89.4Confident85.6Confident20 Ų2072.7 Ų72.714%0.1440%0.402CS..Hα-helixtrans-64-44.4175.7-69.50000111L10 H16 K17 Y18L10-S14 WeakPolarHBondContact O-CB 3.35Å; L10-S14 PolarHBondContact O-N 3.4Å; L10-S14 PolarHBondContact O-OG 2.86Å; S14-H16 PolarHBondContact O-N 2.91Å; S14-K17 WeakPolarHBondContact O-CB 3.26Å; S14-K17 PolarHBondContact O-N 3.47Å; S14-Y18 WeakPolarHBondContact O-CD2 3.41Å; S14-Y18 PolarHBondContact O-N 2.93Å
15F89.6Confident85.2Confident1 Ų173.8 Ų73.80%0.00440%0.402CS..Hα-helixtrans-56.1-54174.9-177.1-96.1000111.8L11 I12 K17 Y18 S19 L26 L28 F71 Y74L11-F15 PolarHBondContact O-N 3.29Å; I12-F15 PolarHBondContact O-N 3.36Å; F15-K17 PolarHBondContact O-N 3.23Å; F15-Y18 PolarHBondContact O-N 3.29Å; F15-Y18 VanDerWaalsContact O-N 3.16Å; F15-S19 WeakPolarHBondContact O-CB 3.43Å; F15-S19 PolarHBondContact O-N 3.29Å; F15-S19 PolarHBondContact O-OG 3.45Å; F15-L26 WeakPolarHBondContact CE1-O 3.4Å; F15-L26 WeakPolarHBondContact CZ-O 3.5Å; F15-L28 HydrophobicContact CD2-CD1 3.55Å; F15-L28 HydrophobicContact CD2-CG 4.06Å; F15-L28 HydrophobicContact CE2-CD1 3.44Å; F15-L28 VanDerWaalsContact CE2-CD1 3.44Å; F15-L28 HydrophobicContact CE2-CG 3.65Å; F15-L28 HydrophobicContact CZ-CD1 4.43Å; F15-L28 HydrophobicContact CZ-CG 4.17Å; F15-F71 HydrophobicContact CB-CD2 4.02Å; F15-F71 HydrophobicContact CB-CE2 4.13Å; F15-F71 AromaticContact CD1-CD2 3.75Å; F15-F71 HydrophobicContact CD1-CD2 3.75Å; F15-F71 HydrophobicContact CD2-CD2 4.05Å; F15-F71 HydrophobicContact CE1-CB 4.1Å; F15-F71 HydrophobicContact CE1-CD2 4.18Å; F15-F71 HydrophobicContact CE2-CB 4.42Å; F15-F71 HydrophobicContact CE2-CD2 4.45Å; F15-F71 AromaticContact CG-CD2 3.67Å; F15-F71 HydrophobicContact CG-CD2 3.67Å; F15-F71 HydrophobicContact CG-CE2 4.28Å; F15-F71 HydrophobicContact CZ-CB 4.05Å; F15-Y74 HydrophobicContact CB-CD1 3.96Å; F15-Y74 HydrophobicContact CB-CE1 3.83Å; F15-Y74 AromaticContact CD2-CD1 3.48Å; F15-Y74 HydrophobicContact CD2-CD1 3.48Å; F15-Y74 VanDerWaalsContact CD2-CD1 3.48Å; F15-Y74 HydrophobicContact CD2-CD2 4.22Å; F15-Y74 HydrophobicContact CD2-CE1 4.12Å; F15-Y74 AromaticContact CD2-CG 3.52Å; F15-Y74 HydrophobicContact CD2-CG 3.52Å; F15-Y74 HydrophobicContact CE2-CD1 4.37Å; F15-Y74 HydrophobicContact CE2-CG 4.09Å; F15-Y74 HydrophobicContact CG-CD1 4.1Å; F15-Y74 HydrophobicContact CG-CE1 4.45Å
16H88.8Confident85.1Confident94 Ų9474.2 Ų74.244%0.43541%0.407SS..Hα-helixtrans-70.3-14.7-179-74.5-63.8000115.1I12 A13 S14 S19 K25I12-H16 PolarHBondContact O-CD2 3.06Å; I12-H16 PolarHBondContact O-N 3.19Å; A13-H16 PolarHBondContact O-N 2.69Å; S14-H16 PolarHBondContact O-N 2.91Å; H16-S19 WeakPolarHBondContact CA-OG 3.36Å; H16-K25 PolarHBondContact ND1-O 3.33Å
17K88.9Confident85Confident123 Ų12370 Ų7054%0.53539%0.389SS..Hα-helixtrans-73.5-32173175.3-174.1169.3-163.80111.7A13 S14 F15 E40A13-K17 WeakPolarHBondContact O-CB 3.22Å; A13-K17 PolarHBondContact O-N 3.26Å; S14-K17 WeakPolarHBondContact O-CB 3.26Å; S14-K17 PolarHBondContact O-N 3.47Å; F15-K17 PolarHBondContact O-N 3.23Å; K17-E40 IonicContact NZ-OE1 2.95Å; K17-E40 PolarHBondContact NZ-OE1 2.9Å
18Y88.3Confident85Confident11 Ų1167.6 Ų67.64%0.04337%0.369CS..Hα-helixtrans-101.2-28.8178.8-61.1-81.5000112.8S14 F15 E32 E35 L36 A39 E40S14-Y18 WeakPolarHBondContact O-CD2 3.41Å; S14-Y18 PolarHBondContact O-N 2.93Å; F15-Y18 PolarHBondContact O-N 3.29Å; F15-Y18 VanDerWaalsContact O-N 3.16Å; Y18-E32 VanDerWaalsContact O-CD 3.23Å; Y18-E32 WeakPolarHBondContact O-CG 3.46Å; Y18-E35 HydrophobicContact CD1-CB 4.3Å; Y18-E35 HydrophobicContact CD1-CG 4.27Å; Y18-E35 HydrophobicContact CE1-CG 4.21Å; Y18-L36 HydrophobicContact CD1-CB 4.22Å; Y18-L36 HydrophobicContact CD2-CB 3.67Å; Y18-L36 HydrophobicContact CD2-CD1 3.65Å; Y18-L36 HydrophobicContact CD2-CG 3.52Å; Y18-L36 HydrophobicContact CE2-CB 4.14Å; Y18-L36 HydrophobicContact CE2-CD1 4.41Å; Y18-L36 HydrophobicContact CE2-CG 3.89Å; Y18-L36 HydrophobicContact CG-CB 3.76Å; Y18-L36 HydrophobicContact CG-CD1 4.23Å; Y18-L36 HydrophobicContact CG-CG 4.14Å; Y18-A39 HydrophobicContact CE1-CB 4.22Å; Y18-A39 WeakPolarHBondContact OH-CB 3.46Å; Y18-E40 HydrophobicContact CE2-CG 3.65Å; Y18-E40 WeakPolarHBondContact CE2-OE1 3.42Å; Y18-E40 PolarHBondContact OH-OE1 3.47Å
19S86.6Confident84.9Confident10 Ų1063.4 Ų63.47%0.0735%0.351CS..THydrogen-bonded Turntrans-72.7147.2177.374.20000112F15 H16 K25 T27F15-S19 WeakPolarHBondContact O-CB 3.43Å; F15-S19 PolarHBondContact O-N 3.29Å; F15-S19 PolarHBondContact O-OG 3.45Å; H16-S19 WeakPolarHBondContact CA-OG 3.36Å; S19-K25 PolarHBondContact OG-O 3.19Å; S19-T27 WeakPolarHBondContact CB-O 3.38Å
20G79.4Confident84.7Confident24 Ų2464.5 Ų64.525%0.24735%0.348CS..THydrogen-bonded Turntrans80.611.517600000116D24 E32G20-D24 VanDerWaalsContact CA-O 3.23Å; G20-D24 WeakPolarHBondContact CA-O 3.28Å; G20-D24 PolarHBondContact N-O 3.26Å; G20-D24 VanDerWaalsContact N-O 3.08Å; G20-E32 PolarHBondContact N-OE1 3.3Å
21K76.3Confident84.4Confident115 Ų11561.8 Ų61.850%0.534%0.342SS..SBendtrans-72.6-32.7166.5-65.6-174.8-178.9-177.80111.4E32 E35K21-E32 VanDerWaalsContact CA-OE1 3.3Å; K21-E32 WeakPolarHBondContact CA-OE1 3.38Å; K21-E32 HydrophobicContact CB-CG 4.32Å; K21-E32 VanDerWaalsContact CB-OE1 3.3Å; K21-E32 WeakPolarHBondContact CB-OE1 3.12Å; K21-E32 PolarHBondContact N-OE1 2.8Å; K21-E35 IonicContact NZ-OE1 2.74Å; K21-E35 PolarHBondContact NZ-OE1 3.42Å; K21-E35 IonicContact NZ-OE2 2.76Å; K21-E35 PolarHBondContact NZ-OE2 2.94Å
22D69.9Low84.4Confident124 Ų12460 Ų6066%0.66333%0.333SS*.SBendtrans-112.38.1-173.8-130.2-18.6000114E32D22-E32 PolarHBondContact N-OE1 3.16Å
23G69.4Low84.2Confident57 Ų5756.5 Ų56.559%0.58832%0.315SS*.SBendtrans148.6-86.7175.400000113.5
24D77.9Confident83.9Confident89 Ų8957.1 Ų57.148%0.47631%0.307SS..  trans-78125.4-174.7-162.2-28.5000111.1G20 L26 T27G20-D24 VanDerWaalsContact CA-O 3.23Å; G20-D24 WeakPolarHBondContact CA-O 3.28Å; G20-D24 PolarHBondContact N-O 3.26Å; G20-D24 VanDerWaalsContact N-O 3.08Å; D24-L26 PolarHBondContact O-N 3.42Å; D24-L26 WeakPolarHBondContact OD1-CB 3.49Å; D24-L26 PolarHBondContact OD1-N 3.34Å; D24-T27 WeakPolarHBondContact CB-OG1 3.44Å; D24-T27 VanDerWaalsContact O-O 3.07Å
25K80Confident83.8Confident151 Ų15160.2 Ų60.266%0.65732%0.32SS*.THydrogen-bonded Turntrans-76.9-11.8-179.8-64-178.1179.2-1780112.8H16 S19H16-K25 PolarHBondContact ND1-O 3.33Å; S19-K25 PolarHBondContact OG-O 3.19Å
26L84.9Confident83.8Confident114 Ų11460.2 Ų60.260%0.59732%0.319SS*.THydrogen-bonded Turntrans-101.3-9.2-176-58.2178.5000112.9F15 D24F15-L26 WeakPolarHBondContact CE1-O 3.4Å; F15-L26 WeakPolarHBondContact CZ-O 3.5Å; D24-L26 PolarHBondContact O-N 3.42Å; D24-L26 WeakPolarHBondContact OD1-CB 3.49Å; D24-L26 PolarHBondContact OD1-N 3.34Å
27T88Confident83.5Confident22 Ų2255.9 Ų55.914%0.13530%0.299CS..EExtended strand (participates in β ladder)trans-130.7156.1179670000111.1S19 D24 V69 D70S19-T27 WeakPolarHBondContact CB-O 3.38Å; D24-T27 WeakPolarHBondContact CB-OG1 3.44Å; D24-T27 VanDerWaalsContact O-O 3.07Å; T27-V69 CarbonylContact C-O 3.55Å; T27-V69 WeakPolarHBondContact CA-O 3.29Å; T27-D70 HydrophobicContact CG2-CB 4.35Å
28L88.1Confident83.1Confident0 Ų054.4 Ų54.40%029%0.294CS..EExtended strand (participates in β ladder)trans-101.7125.6173-71.6166.2000108.9F15 E32 L33 L36 T68 V69 Y74F15-L28 HydrophobicContact CD2-CD1 3.55Å; F15-L28 HydrophobicContact CD2-CG 4.06Å; F15-L28 HydrophobicContact CE2-CD1 3.44Å; F15-L28 VanDerWaalsContact CE2-CD1 3.44Å; F15-L28 HydrophobicContact CE2-CG 3.65Å; F15-L28 HydrophobicContact CZ-CD1 4.43Å; F15-L28 HydrophobicContact CZ-CG 4.17Å; L28-E32 WeakPolarHBondContact CA-OE2 3.38Å; L28-E32 HydrophobicContact CB-CB 4.4Å; L28-E32 HydrophobicContact CD2-CB 3.68Å; L28-L33 HydrophobicContact CB-CB 4.46Å; L28-L33 HydrophobicContact CD1-CD1 4.15Å; L28-L36 HydrophobicContact CD1-CD1 3.9Å; L28-T68 CarbonylContact O-C 3.57Å; L28-T68 WeakPolarHBondContact O-CA 3.49Å; L28-V69 HydrophobicContact CB-CB 4.24Å; L28-V69 PolarHBondContact N-O 3.07Å; L28-V69 PolarHBondContact O-N 3Å; L28-Y74 HydrophobicContact CD1-CD2 4.31Å
29S87.9Confident83Confident25 Ų2556.9 Ų56.918%0.17532%0.317CS..EExtended strand (participates in β ladder)trans-69.3163.916686.40000110.3A31 E32 L33S29-A31 PolarHBondContact O-N 3.42Å; S29-A31 VanDerWaalsContact O-N 3.16Å; S29-A31 PolarHBondContact OG-N 3.16Å; S29-E32 PolarHBondContact N-OE2 2.98Å; S29-E32 PolarHBondContact O-N 3.28Å; S29-E32 VanDerWaalsContact O-N 3.11Å; S29-E32 PolarHBondContact OG-N 3.11Å; S29-L33 PolarHBondContact O-N 2.95Å
30K84.4Confident82.8Confident85 Ų8560.3 Ų60.337%0.3733%0.332SS..Hα-helixtrans-55.6-33.2174.6-174.3174.6173.4-177.20113.3K34 D55 F58K30-K34 WeakPolarHBondContact O-CB 3.47Å; K30-K34 PolarHBondContact O-N 3.02Å; K30-K34 VanDerWaalsContact O-N 3.16Å; K30-D55 VanDerWaalsContact CE-CG 3.5Å; K30-D55 WeakPolarHBondContact CE-OD1 3.33Å; K30-D55 VanDerWaalsContact CE-OD2 3.31Å; K30-D55 WeakPolarHBondContact CE-OD2 3.21Å; K30-D55 IonicContact NZ-OD1 2.77Å; K30-D55 PolarHBondContact NZ-OD1 3.47Å; K30-D55 IonicContact NZ-OD2 2.61Å; K30-D55 PolarHBondContact NZ-OD2 3.17Å; K30-F58 HydrophobicContact CB-CD2 3.81Å; K30-F58 HydrophobicContact CB-CE1 4.39Å; K30-F58 HydrophobicContact CB-CE2 3.6Å; K30-F58 HydrophobicContact CB-CG 4.32Å; K30-F58 HydrophobicContact CB-CZ 3.91Å; K30-F58 HydrophobicContact CD-CD1 4.34Å; K30-F58 HydrophobicContact CD-CG 4.38Å; K30-F58 HydrophobicContact CG-CD1 4.39Å; K30-F58 HydrophobicContact CG-CD2 3.86Å; K30-F58 HydrophobicContact CG-CE2 4.17Å; K30-F58 HydrophobicContact CG-CG 4Å
31A85.5Confident82.7Confident59 Ų5960.4 Ų60.449%0.48833%0.327SS..Hα-helixtrans-72-43.9177.300000111.4S29 K34 E35S29-A31 PolarHBondContact O-N 3.42Å; S29-A31 VanDerWaalsContact O-N 3.16Å; S29-A31 PolarHBondContact OG-N 3.16Å; A31-K34 WeakPolarHBondContact O-CB 3.44Å; A31-K34 PolarHBondContact O-N 2.84Å; A31-E35 PolarHBondContact O-N 2.84Å
32E88.1Confident82.6Confident8 Ų856.1 Ų56.14%0.03732%0.315CS..Hα-helixtrans-66.9-43.1178.5-65.4171.1149.700111.7Y18 G20 K21 D22 L28 S29 K34 E35 L36Y18-E32 VanDerWaalsContact O-CD 3.23Å; Y18-E32 WeakPolarHBondContact O-CG 3.46Å; G20-E32 PolarHBondContact N-OE1 3.3Å; K21-E32 VanDerWaalsContact CA-OE1 3.3Å; K21-E32 WeakPolarHBondContact CA-OE1 3.38Å; K21-E32 HydrophobicContact CB-CG 4.32Å; K21-E32 VanDerWaalsContact CB-OE1 3.3Å; K21-E32 WeakPolarHBondContact CB-OE1 3.12Å; K21-E32 PolarHBondContact N-OE1 2.8Å; D22-E32 PolarHBondContact N-OE1 3.16Å; L28-E32 WeakPolarHBondContact CA-OE2 3.38Å; L28-E32 HydrophobicContact CB-CB 4.4Å; L28-E32 HydrophobicContact CD2-CB 3.68Å; S29-E32 PolarHBondContact N-OE2 2.98Å; S29-E32 PolarHBondContact O-N 3.28Å; S29-E32 VanDerWaalsContact O-N 3.11Å; S29-E32 PolarHBondContact OG-N 3.11Å; E32-K34 VanDerWaalsContact C-N 3.3Å; E32-K34 PolarHBondContact O-N 2.79Å; E32-E35 PolarHBondContact O-N 2.66Å; E32-L36 PolarHBondContact O-N 3.17Å
33L86.5Confident82.6Confident0 Ų060 Ų600%033%0.329CS..Hα-helixtrans-58.9-45.5174.1-175.773.9000110.3L28 S29 E35 L36 L37 F58 L61 V69L28-L33 HydrophobicContact CB-CB 4.46Å; L28-L33 HydrophobicContact CD1-CD1 4.15Å; S29-L33 PolarHBondContact O-N 2.95Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 PolarHBondContact O-N 3.27Å; L33-L36 PolarHBondContact O-N 2.85Å; L33-L37 HydrophobicContact CD1-CG 4.42Å; L33-L37 HydrophobicContact CD2-CD1 4.3Å; L33-L37 HydrophobicContact CG-CD1 4.07Å; L33-L37 HydrophobicContact CG-CG 4.18Å; L33-L37 WeakPolarHBondContact O-CB 3.42Å; L33-L37 VanDerWaalsContact O-CG 3.24Å; L33-L37 WeakPolarHBondContact O-CG 3.29Å; L33-L37 PolarHBondContact O-N 2.99Å; L33-F58 HydrophobicContact CB-CD2 4.39Å; L33-F58 HydrophobicContact CD2-CB 4.08Å; L33-F58 HydrophobicContact CD2-CD2 3.6Å; L33-F58 HydrophobicContact CD2-CG 4.32Å; L33-L61 HydrophobicContact CD1-CD1 4.45Å; L33-L61 HydrophobicContact CD2-CD1 3.99Å; L33-V69 HydrophobicContact CD2-CG2 4.21Å
34K84.7Confident82.6Confident68 Ų6861.5 Ų61.530%0.29632%0.322SS..Hα-helixtrans-56.8-45.6177.3-177.8-177.1173.4-161.30111.4K30 A31 E32 L37 Q38 V54K30-K34 WeakPolarHBondContact O-CB 3.47Å; K30-K34 PolarHBondContact O-N 3.02Å; K30-K34 VanDerWaalsContact O-N 3.16Å; A31-K34 WeakPolarHBondContact O-CB 3.44Å; A31-K34 PolarHBondContact O-N 2.84Å; E32-K34 VanDerWaalsContact C-N 3.3Å; E32-K34 PolarHBondContact O-N 2.79Å; K34-L37 PolarHBondContact O-N 3.44Å; K34-Q38 WeakPolarHBondContact O-CB 3.37Å; K34-Q38 WeakPolarHBondContact O-CG 3.37Å; K34-Q38 PolarHBondContact O-N 2.87Å; K34-V54 HydrophobicContact CB-CG1 3.83Å; K34-V54 HydrophobicContact CG-CG1 4.02Å; K34-V54 HydrophobicContact CG-CG2 4.33Å
35E87.1Confident82.1Confident85 Ų8558.9 Ų58.940%0.39731%0.308SS..Hα-helixtrans-63.6-44.8179.7-161.4-174.3161.200111.3Y18 K21 A31 E32 L33 Q38 A39Y18-E35 HydrophobicContact CD1-CB 4.3Å; Y18-E35 HydrophobicContact CD1-CG 4.27Å; Y18-E35 HydrophobicContact CE1-CG 4.21Å; K21-E35 IonicContact NZ-OE1 2.74Å; K21-E35 PolarHBondContact NZ-OE1 3.42Å; K21-E35 IonicContact NZ-OE2 2.76Å; K21-E35 PolarHBondContact NZ-OE2 2.94Å; A31-E35 PolarHBondContact O-N 2.84Å; E32-E35 PolarHBondContact O-N 2.66Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 PolarHBondContact O-N 3.27Å; E35-Q38 PolarHBondContact O-N 3.36Å; E35-A39 VanDerWaalsContact O-CB 3.26Å; E35-A39 WeakPolarHBondContact O-CB 3.36Å; E35-A39 PolarHBondContact O-N 2.96Å
36L87.9Confident81.5Confident0 Ų053.5 Ų53.50%030%0.296CS..Hα-helixtrans-57.9-50.6175-172.6161.7000111.1Y18 L28 E32 L33 Q38 A39 E40 L41 Y74Y18-L36 HydrophobicContact CD1-CB 4.22Å; Y18-L36 HydrophobicContact CD2-CB 3.67Å; Y18-L36 HydrophobicContact CD2-CD1 3.65Å; Y18-L36 HydrophobicContact CD2-CG 3.52Å; Y18-L36 HydrophobicContact CE2-CB 4.14Å; Y18-L36 HydrophobicContact CE2-CD1 4.41Å; Y18-L36 HydrophobicContact CE2-CG 3.89Å; Y18-L36 HydrophobicContact CG-CB 3.76Å; Y18-L36 HydrophobicContact CG-CD1 4.23Å; Y18-L36 HydrophobicContact CG-CG 4.14Å; L28-L36 HydrophobicContact CD1-CD1 3.9Å; E32-L36 PolarHBondContact O-N 3.17Å; L33-L36 PolarHBondContact O-N 2.85Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 3.36Å; L36-A39 PolarHBondContact O-N 3.25Å; L36-E40 HydrophobicContact CD2-CB 4.44Å; L36-E40 HydrophobicContact CD2-CG 4.46Å; L36-E40 HydrophobicContact CG-CG 4.34Å; L36-E40 WeakPolarHBondContact O-CB 3.31Å; L36-E40 PolarHBondContact O-N 3.36Å; L36-L41 HydrophobicContact CD2-CD1 4.41Å; L36-Y74 HydrophobicContact CD1-CD2 4.27Å; L36-Y74 HydrophobicContact CD1-CE2 3.6Å; L36-Y74 HydrophobicContact CD2-CE2 3.72Å; L36-Y74 HydrophobicContact CG-CE2 4.37Å
37L83.3Confident80Confident3 Ų357 Ų572%0.01631%0.306CS..Hα-helixtrans-61.2-38.5-179.7-67-179.9000111.7L33 K34 L41 G42 L45 V54 I57 L77L33-L37 HydrophobicContact CD1-CG 4.42Å; L33-L37 HydrophobicContact CD2-CD1 4.3Å; L33-L37 HydrophobicContact CG-CD1 4.07Å; L33-L37 HydrophobicContact CG-CG 4.18Å; L33-L37 WeakPolarHBondContact O-CB 3.42Å; L33-L37 VanDerWaalsContact O-CG 3.24Å; L33-L37 WeakPolarHBondContact O-CG 3.29Å; L33-L37 PolarHBondContact O-N 2.99Å; K34-L37 PolarHBondContact O-N 3.44Å; L37-L41 HydrophobicContact CD2-CD1 3.6Å; L37-L41 CarbonylContact O-C 3.59Å; L37-L41 VanDerWaalsContact O-CA 3.31Å; L37-L41 WeakPolarHBondContact O-CA 3.24Å; L37-L41 WeakPolarHBondContact O-CB 3.48Å; L37-L41 PolarHBondContact O-N 2.74Å; L37-G42 PolarHBondContact O-N 2.61Å; L37-L45 HydrophobicContact CB-CD1 4.14Å; L37-L45 HydrophobicContact CD2-CD1 4.01Å; L37-L45 HydrophobicContact CG-CD1 4.49Å; L37-V54 HydrophobicContact CD1-CG1 4.28Å; L37-V54 HydrophobicContact CD1-CG2 4.34Å; L37-I57 HydrophobicContact CD1-CD1 4.35Å; L37-I57 HydrophobicContact CD1-CG2 4.05Å; L37-L77 HydrophobicContact CD2-CD2 3.6Å
38Q81.8Confident78.4Confident92 Ų9257.3 Ų57.343%0.4331%0.311SS..Hα-helixtrans-72.1-40.7177.8-75.7-172-39.700112.5K34 E35 L36 G42K34-Q38 WeakPolarHBondContact O-CB 3.37Å; K34-Q38 WeakPolarHBondContact O-CG 3.37Å; K34-Q38 PolarHBondContact O-N 2.87Å; E35-Q38 PolarHBondContact O-N 3.36Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 3.36Å; Q38-G42 WeakPolarHBondContact O-CA 3.2Å; Q38-G42 PolarHBondContact O-N 3.19Å
39A84.8Confident76.9Confident63 Ų6359.4 Ų59.452%0.52133%0.326SS..Hα-helixtrans-80.5-43.5-174.400000113.3Y18 E35 L36Y18-A39 HydrophobicContact CE1-CB 4.22Å; Y18-A39 WeakPolarHBondContact OH-CB 3.46Å; E35-A39 VanDerWaalsContact O-CB 3.26Å; E35-A39 WeakPolarHBondContact O-CB 3.36Å; E35-A39 PolarHBondContact O-N 2.96Å; L36-A39 PolarHBondContact O-N 3.25Å
40E83.7Confident75.9Confident82 Ų8263 Ų6338%0.38334%0.343SS..Hα-helixtrans-97.2-31.2-174-54.3-70.6154.400112.1K17 Y18 L36K17-E40 IonicContact NZ-OE1 2.95Å; K17-E40 PolarHBondContact NZ-OE1 2.9Å; Y18-E40 HydrophobicContact CE2-CG 3.65Å; Y18-E40 WeakPolarHBondContact CE2-OE1 3.42Å; Y18-E40 PolarHBondContact OH-OE1 3.47Å; L36-E40 HydrophobicContact CD2-CB 4.44Å; L36-E40 HydrophobicContact CD2-CG 4.46Å; L36-E40 HydrophobicContact CG-CG 4.34Å; L36-E40 WeakPolarHBondContact O-CB 3.31Å; L36-E40 PolarHBondContact O-N 3.36Å
41L77.3Confident75.3Confident27 Ų2766.1 Ų66.114%0.14136%0.356CS..SBendtrans-117.35.1-173.5-68.6162.4000113L36 L37 E43 M44 L45 L81L36-L41 HydrophobicContact CD2-CD1 4.41Å; L37-L41 HydrophobicContact CD2-CD1 3.6Å; L37-L41 CarbonylContact O-C 3.59Å; L37-L41 VanDerWaalsContact O-CA 3.31Å; L37-L41 WeakPolarHBondContact O-CA 3.24Å; L37-L41 WeakPolarHBondContact O-CB 3.48Å; L37-L41 PolarHBondContact O-N 2.74Å; L41-E43 PolarHBondContact O-N 3.39Å; L41-M44 HydrophobicContact CD2-SD 3.96Å; L41-M44 PolarHBondContact O-N 3.03Å; L41-M44 VanDerWaalsContact O-N 3.09Å; L41-L45 HydrophobicContact CB-CD1 3.62Å; L41-L45 HydrophobicContact CB-CG 4.09Å; L41-L45 HydrophobicContact CD1-CD1 4.47Å; L41-L45 VanDerWaalsContact O-CB 3.27Å; L41-L45 WeakPolarHBondContact O-CB 3.47Å; L41-L45 PolarHBondContact O-N 3.01Å; L41-L81 HydrophobicContact CD1-CD1 3.7Å; L41-L81 HydrophobicContact CD2-CD1 3.96Å; L41-L81 HydrophobicContact CG-CD1 4.44Å
42G73.1Confident74.9Confident24 Ų2467 Ų6725%0.24736%0.359CS..Hα-helixtrans-59.9-41.3-173.400000113.8L37 Q38 G46L37-G42 PolarHBondContact O-N 2.61Å; Q38-G42 WeakPolarHBondContact O-CA 3.2Å; Q38-G42 PolarHBondContact O-N 3.19Å; G42-G46 WeakPolarHBondContact O-CA 3.31Å; G42-G46 PolarHBondContact O-N 3.41Å
43E71.2Confident74.5Confident205 Ų20567.9 Ų67.996%0.95837%0.367SS*.Hα-helixtrans-68.4-35.7175.7-76-169.6108.600112.6L41L41-E43 PolarHBondContact O-N 3.39Å
44M68.4Low74.2Confident90 Ų9068 Ų6844%0.44337%0.369SS..Hα-helixtrans-77.1-38.4-179179.7173.1158.600112.3L41 L81 C85L41-M44 HydrophobicContact CD2-SD 3.96Å; L41-M44 PolarHBondContact O-N 3.03Å; L41-M44 VanDerWaalsContact O-N 3.09Å; M44-L81 HydrophobicContact CE-CB 3.6Å; M44-L81 HydrophobicContact CE-CD1 4.41Å; M44-L81 HydrophobicContact CE-CD2 3.97Å; M44-L81 HydrophobicContact CE-CG 4.18Å; M44-C85 WeakPolarHBondContact CE-SG 3.42Å
45L66.7Low74.1Confident33 Ų3367.2 Ų67.217%0.17337%0.367CS..Hα-helixtrans-83.5-20.4-179.9-74.9172.3000112.2L37 L41 K47 A48 I57 L81L37-L45 HydrophobicContact CB-CD1 4.14Å; L37-L45 HydrophobicContact CD2-CD1 4.01Å; L37-L45 HydrophobicContact CG-CD1 4.49Å; L41-L45 HydrophobicContact CB-CD1 3.62Å; L41-L45 HydrophobicContact CB-CG 4.09Å; L41-L45 HydrophobicContact CD1-CD1 4.47Å; L41-L45 VanDerWaalsContact O-CB 3.27Å; L41-L45 WeakPolarHBondContact O-CB 3.47Å; L41-L45 PolarHBondContact O-N 3.01Å; L45-K47 PolarHBondContact O-N 2.93Å; L45-A48 HydrophobicContact CB-CB 4.01Å; L45-A48 HydrophobicContact CD2-CB 4.14Å; L45-A48 VanDerWaalsContact O-CB 3.22Å; L45-A48 WeakPolarHBondContact O-CB 3.36Å; L45-A48 PolarHBondContact O-N 3.45Å; L45-I57 HydrophobicContact CD2-CD1 4.45Å; L45-L81 HydrophobicContact CD2-CD2 4.24Å
46G67.2Low73.9Confident39 Ų3971.7 Ų71.740%0.40238%0.38SS..G310 helixtrans51.2-122.9-179.700000111.8G42 A48 S49G42-G46 WeakPolarHBondContact O-CA 3.31Å; G42-G46 PolarHBondContact O-N 3.41Å; G46-A48 PolarHBondContact O-N 3.4Å; G46-A48 VanDerWaalsContact O-N 3.09Å; G46-S49 PolarHBondContact O-N 2.93Å; G46-S49 PolarHBondContact O-OG 2.81Å
47K54.7Low73.6Confident186 Ų18673.2 Ų73.281%0.80939%0.388SS*.G310 helixtrans-63.8-9.6177-68-172.6-174.9-177.70114.4L45 S49 D50L45-K47 PolarHBondContact O-N 2.93Å; K47-S49 PolarHBondContact O-N 2.95Å; K47-D50 WeakPolarHBondContact O-CB 3.45Å; K47-D50 PolarHBondContact O-N 3.31Å; K47-D50 VanDerWaalsContact O-N 3.08Å
48A53.5Low73.7Confident29 Ų2973.3 Ų73.324%0.2439%0.389CS..G310 helixtrans-72.71175.200000113.7L45 G46 D50 A53L45-A48 HydrophobicContact CB-CB 4.01Å; L45-A48 HydrophobicContact CD2-CB 4.14Å; L45-A48 VanDerWaalsContact O-CB 3.22Å; L45-A48 WeakPolarHBondContact O-CB 3.36Å; L45-A48 PolarHBondContact O-N 3.45Å; G46-A48 PolarHBondContact O-N 3.4Å; G46-A48 VanDerWaalsContact O-N 3.09Å; A48-D50 PolarHBondContact O-N 2.77Å; A48-A53 HydrophobicContact CB-CB 4.01Å; A48-A53 WeakPolarHBondContact O-CB 3.43Å
49S57.2Low73.8Confident45 Ų4576.1 Ų76.132%0.31540%0.4SS..G310 helixtrans-70.8-3.8161.360.40000113.9G46 K47G46-S49 PolarHBondContact O-N 2.93Å; G46-S49 PolarHBondContact O-OG 2.81Å; K47-S49 PolarHBondContact O-N 2.95Å
50D67.8Low73.7Confident99 Ų9979.3 Ų79.353%0.52941%0.408SS..SBendtrans-59142.2173.4-118.6-56.8000110.9K47 A48 S52 A53 V54K47-D50 WeakPolarHBondContact O-CB 3.45Å; K47-D50 PolarHBondContact O-N 3.31Å; K47-D50 VanDerWaalsContact O-N 3.08Å; A48-D50 PolarHBondContact O-N 2.77Å; D50-S52 PolarHBondContact O-N 3.25Å; D50-A53 HydrophobicContact CB-CB 4.43Å; D50-A53 PolarHBondContact O-N 2.75Å; D50-V54 PolarHBondContact O-N 2.89Å
51K71.4Confident73.7Confident151 Ų15176 Ų7666%0.65739%0.393SS*.Hα-helixtrans-51.4-39.7-177.1-127.8-179.5-177-178.30111.3D55K51-D55 WeakPolarHBondContact O-CB 3.34Å; K51-D55 PolarHBondContact O-N 3.41Å
52S77.3Confident74Confident79 Ų7975.3 Ų75.355%0.55239%0.389SS*.Hα-helixtrans-69.3-35.2179.4-51.50000114D50 R56D50-S52 PolarHBondContact O-N 3.25Å; S52-R56 WeakPolarHBondContact O-CG 3.23Å; S52-R56 PolarHBondContact O-N 2.96Å; S52-R56 VanDerWaalsContact O-N 3.14Å
53A78.6Confident74.3Confident25 Ų2578.8 Ų78.821%0.20741%0.409CS..Hα-helixtrans-75.7-42.3178.600000110.5A48 D50 D55 R56 I57A48-A53 HydrophobicContact CB-CB 4.01Å; A48-A53 WeakPolarHBondContact O-CB 3.43Å; D50-A53 HydrophobicContact CB-CB 4.43Å; D50-A53 PolarHBondContact O-N 2.75Å; A53-D55 VanDerWaalsContact C-N 3.3Å; A53-D55 PolarHBondContact O-N 3Å; A53-R56 PolarHBondContact O-N 3.25Å; A53-I57 VanDerWaalsContact O-CG1 3.31Å; A53-I57 WeakPolarHBondContact O-CG1 3.47Å; A53-I57 PolarHBondContact O-N 3Å
54V80.5Confident74.9Confident4 Ų473 Ų732%0.02439%0.385CS..Hα-helixtrans-60.3-40.7171.1176.20000111.1K34 L37 D50 R56 I57 F58K34-V54 HydrophobicContact CB-CG1 3.83Å; K34-V54 HydrophobicContact CG-CG1 4.02Å; K34-V54 HydrophobicContact CG-CG2 4.33Å; L37-V54 HydrophobicContact CD1-CG1 4.28Å; L37-V54 HydrophobicContact CD1-CG2 4.34Å; D50-V54 PolarHBondContact O-N 2.89Å; V54-R56 VanDerWaalsContact C-N 3.32Å; V54-R56 PolarHBondContact O-N 2.94Å; V54-I57 PolarHBondContact O-N 3.19Å; V54-F58 WeakPolarHBondContact O-CB 3.03Å; V54-F58 PolarHBondContact O-N 3.34Å
55D83.1Confident75.6Confident50 Ų5076.7 Ų76.727%0.26740%0.399SS..Hα-helixtrans-60.7-40174.9-116.9-68.4000112.9K30 K51 A53 K59K30-D55 VanDerWaalsContact CE-CG 3.5Å; K30-D55 WeakPolarHBondContact CE-OD1 3.33Å; K30-D55 VanDerWaalsContact CE-OD2 3.31Å; K30-D55 WeakPolarHBondContact CE-OD2 3.21Å; K30-D55 IonicContact NZ-OD1 2.77Å; K30-D55 PolarHBondContact NZ-OD1 3.47Å; K30-D55 IonicContact NZ-OD2 2.61Å; K30-D55 PolarHBondContact NZ-OD2 3.17Å; K51-D55 WeakPolarHBondContact O-CB 3.34Å; K51-D55 PolarHBondContact O-N 3.41Å; A53-D55 VanDerWaalsContact C-N 3.3Å; A53-D55 PolarHBondContact O-N 3Å; D55-K59 WeakPolarHBondContact O-CB 3.33Å; D55-K59 WeakPolarHBondContact O-CG 3.21Å; D55-K59 PolarHBondContact O-N 3.44Å
56R82.3Confident76.4Confident179 Ų17978.6 Ų78.668%0.67541%0.409SS*.Hα-helixtrans-67.8-50.9176-74.3174.5-177.2176.40.5110.9S52 A53 V54 F58 K59 D60S52-R56 WeakPolarHBondContact O-CG 3.23Å; S52-R56 PolarHBondContact O-N 2.96Å; S52-R56 VanDerWaalsContact O-N 3.14Å; A53-R56 PolarHBondContact O-N 3.25Å; V54-R56 VanDerWaalsContact C-N 3.32Å; V54-R56 PolarHBondContact O-N 2.94Å; R56-F58 VanDerWaalsContact C-N 3.28Å; R56-F58 PolarHBondContact O-N 3.15Å; R56-K59 CarbonylContact O-C 3.11Å; R56-K59 PolarHBondContact O-N 3.29Å; R56-D60 PolarHBondContact O-N 2.76Å; R56-D60 VanDerWaalsContact O-OD2 3.13Å
57I82.8Confident77.2Confident32 Ų3282.4 Ų82.416%0.16442%0.42CS..Hα-helixtrans-56.1-45.8177.3-67.1165.7000110.3L37 L45 A53 V54 K59 D60 L61 L77L37-I57 HydrophobicContact CD1-CD1 4.35Å; L37-I57 HydrophobicContact CD1-CG2 4.05Å; L45-I57 HydrophobicContact CD2-CD1 4.45Å; A53-I57 VanDerWaalsContact O-CG1 3.31Å; A53-I57 WeakPolarHBondContact O-CG1 3.47Å; A53-I57 PolarHBondContact O-N 3Å; V54-I57 PolarHBondContact O-N 3.19Å; I57-K59 PolarHBondContact O-N 2.93Å; I57-D60 PolarHBondContact O-N 2.78Å; I57-L61 HydrophobicContact CG2-CD1 3.6Å; I57-L61 HydrophobicContact CG2-CG 4.32Å; I57-L61 WeakPolarHBondContact O-CB 3.29Å; I57-L61 WeakPolarHBondContact O-CD1 3.35Å; I57-L61 WeakPolarHBondContact O-CG 3.46Å; I57-L61 PolarHBondContact O-N 3.09Å; I57-L77 HydrophobicContact CG2-CD1 3.81Å; I57-L77 HydrophobicContact CG2-CD2 4.31Å
58F84.4Confident78.8Confident6 Ų675.2 Ų75.23%0.02639%0.392CS..Hα-helixtrans-58.3-47.6176.3-174.7-86.5000111.5K30 L33 V54 R56 D60 L61 D62 N67 V69K30-F58 HydrophobicContact CB-CD2 3.81Å; K30-F58 HydrophobicContact CB-CE1 4.39Å; K30-F58 HydrophobicContact CB-CE2 3.6Å; K30-F58 HydrophobicContact CB-CG 4.32Å; K30-F58 HydrophobicContact CB-CZ 3.91Å; K30-F58 HydrophobicContact CD-CD1 4.34Å; K30-F58 HydrophobicContact CD-CG 4.38Å; K30-F58 HydrophobicContact CG-CD1 4.39Å; K30-F58 HydrophobicContact CG-CD2 3.86Å; K30-F58 HydrophobicContact CG-CE2 4.17Å; K30-F58 HydrophobicContact CG-CG 4Å; L33-F58 HydrophobicContact CB-CD2 4.39Å; L33-F58 HydrophobicContact CD2-CB 4.08Å; L33-F58 HydrophobicContact CD2-CD2 3.6Å; L33-F58 HydrophobicContact CD2-CG 4.32Å; V54-F58 WeakPolarHBondContact O-CB 3.03Å; V54-F58 PolarHBondContact O-N 3.34Å; R56-F58 VanDerWaalsContact C-N 3.28Å; R56-F58 PolarHBondContact O-N 3.15Å; F58-D60 PolarHBondContact O-N 3.32Å; F58-L61 PolarHBondContact O-N 3.18Å; F58-D62 HydrophobicContact CD1-CB 4.29Å; F58-D62 HydrophobicContact CE1-CB 3.98Å; F58-D62 HydrophobicContact CZ-CB 4.46Å; F58-D62 WeakPolarHBondContact O-CB 3.49Å; F58-D62 PolarHBondContact O-N 2.87Å; F58-N67 WeakPolarHBondContact CZ-O 3.21Å; F58-V69 HydrophobicContact CD2-CG2 3.99Å; F58-V69 HydrophobicContact CE2-CG2 3.73Å; F58-V69 HydrophobicContact CZ-CG2 4.38Å
59K83.8Confident80.5Confident151 Ų15173.8 Ų73.866%0.65738%0.38SS*.Hα-helixtrans-67-33.7178-78.5-178.2177.8-175.60114.2D55 R56 I57 L61D55-K59 WeakPolarHBondContact O-CB 3.33Å; D55-K59 WeakPolarHBondContact O-CG 3.21Å; D55-K59 PolarHBondContact O-N 3.44Å; R56-K59 CarbonylContact O-C 3.11Å; R56-K59 PolarHBondContact O-N 3.29Å; I57-K59 PolarHBondContact O-N 2.93Å; K59-L61 VanDerWaalsContact C-N 3.28Å
60D83.3Confident82Confident129 Ų12974 Ų7469%0.6938%0.378SS*.Hα-helixtrans-69.9-30.7174.8-85.9-71.6000111R56 I57 F58R56-D60 PolarHBondContact O-N 2.76Å; R56-D60 VanDerWaalsContact O-OD2 3.13Å; I57-D60 PolarHBondContact O-N 2.78Å; F58-D60 PolarHBondContact O-N 3.32Å
61L82.9Confident83Confident14 Ų1472.9 Ų72.97%0.07337%0.369CS..Hα-helixtrans-82.6-44.5178.4-68.6168.1000113.4L33 I57 F58 K59 S63 V69 E73 L77L33-L61 HydrophobicContact CD1-CD1 4.45Å; L33-L61 HydrophobicContact CD2-CD1 3.99Å; I57-L61 HydrophobicContact CG2-CD1 3.6Å; I57-L61 HydrophobicContact CG2-CG 4.32Å; I57-L61 WeakPolarHBondContact O-CB 3.29Å; I57-L61 WeakPolarHBondContact O-CD1 3.35Å; I57-L61 WeakPolarHBondContact O-CG 3.46Å; I57-L61 PolarHBondContact O-N 3.09Å; F58-L61 PolarHBondContact O-N 3.18Å; K59-L61 VanDerWaalsContact C-N 3.28Å; L61-S63 PolarHBondContact O-N 3.09Å; L61-V69 HydrophobicContact CB-CG2 4.09Å; L61-E73 WeakPolarHBondContact CD2-O 3.43Å; L61-E73 VanDerWaalsContact O-CG 3.29Å; L61-E73 WeakPolarHBondContact O-CG 3.44Å; L61-L77 HydrophobicContact CD1-CB 4.03Å; L61-L77 HydrophobicContact CD1-CD1 4.02Å; L61-L77 HydrophobicContact CD1-CD2 3.92Å; L61-L77 HydrophobicContact CD1-CG 4.17Å; L61-L77 HydrophobicContact CD2-CB 3.53Å; L61-L77 HydrophobicContact CD2-CD1 4.1Å; L61-L77 HydrophobicContact CD2-CG 4.32Å; L61-L77 HydrophobicContact CG-CB 4.38Å; L61-L77 HydrophobicContact CG-CD1 4.37Å
62D85.1Confident83.8Confident12 Ų1273.3 Ų73.36%0.06437%0.37CS..  trans-69.565.3176.8-179.820.9000110.3F58 N64 K65 D66 N67F58-D62 HydrophobicContact CD1-CB 4.29Å; F58-D62 HydrophobicContact CE1-CB 3.98Å; F58-D62 HydrophobicContact CZ-CB 4.46Å; F58-D62 WeakPolarHBondContact O-CB 3.49Å; F58-D62 PolarHBondContact O-N 2.87Å; D62-N64 VanDerWaalsContact C-N 3.29Å; D62-N64 PolarHBondContact OD1-OD1 2.93Å; D62-K65 PolarHBondContact O-N 2.88Å; D62-K65 VanDerWaalsContact OD1-C 3.27Å; D62-K65 WeakPolarHBondContact OD1-CA 3.27Å; D62-K65 PolarHBondContact OD1-N 3.08Å; D62-D66 PolarHBondContact OD1-N 3.17Å; D62-N67 PolarHBondContact OD1-N 3.35Å; D62-N67 WeakPolarHBondContact OD2-CA 3.22Å; D62-N67 PolarHBondContact OD2-N 3.43Å; D62-N67 VanDerWaalsContact OD2-N 3.17Å
63S78.6Confident84.3Confident96 Ų9670.4 Ų70.467%0.67135%0.348SS*.SBendtrans-71.6-30-176.3-74.30000111.2L61 K65 E73L61-S63 PolarHBondContact O-N 3.09Å; S63-K65 VanDerWaalsContact C-N 3.32Å; S63-E73 PolarHBondContact N-OE1 3.46Å
64N83.1Confident84.7Confident83 Ų8369.8 Ų69.844%0.44434%0.34SS..SBendtrans-82.7-10.3176.970.55.1000112.8D62 D66D62-N64 VanDerWaalsContact C-N 3.29Å; D62-N64 PolarHBondContact OD1-OD1 2.93Å; N64-D66 VanDerWaalsContact CG-CG 3.5Å; N64-D66 PolarHBondContact ND2-OD2 2.84Å; N64-D66 PolarHBondContact O-N 2.91Å; N64-D66 WeakPolarHBondContact OD1-CB 3.42Å; N64-D66 PolarHBondContact OD1-N 3.05Å; N64-D66 PolarHBondContact OD1-OD1 2.67Å; N64-D66 PolarHBondContact OD1-OD2 3Å
65K82.7Confident85.1Confident168 Ų16871.8 Ų71.873%0.7335%0.353SS*.  trans6031.4-179.9-56.9179.3-177.51750113.1D62 S63D62-K65 PolarHBondContact O-N 2.88Å; D62-K65 VanDerWaalsContact OD1-C 3.27Å; D62-K65 WeakPolarHBondContact OD1-CA 3.27Å; D62-K65 PolarHBondContact OD1-N 3.08Å; S63-K65 VanDerWaalsContact C-N 3.32Å
66D84.4Confident85.3Confident74 Ų7473.4 Ų73.440%0.39637%0.365SS..SBendtrans-83.2-0.1175.975.812.2000112.7D62 N64 T68D62-D66 PolarHBondContact OD1-N 3.17Å; N64-D66 VanDerWaalsContact CG-CG 3.5Å; N64-D66 PolarHBondContact ND2-OD2 2.84Å; N64-D66 PolarHBondContact O-N 2.91Å; N64-D66 WeakPolarHBondContact OD1-CB 3.42Å; N64-D66 PolarHBondContact OD1-N 3.05Å; N64-D66 PolarHBondContact OD1-OD1 2.67Å; N64-D66 PolarHBondContact OD1-OD2 3Å; D66-T68 PolarHBondContact O-N 3.14Å; D66-T68 VanDerWaalsContact OD1-CA 3.29Å; D66-T68 WeakPolarHBondContact OD1-CA 3.31Å; D66-T68 WeakPolarHBondContact OD1-CB 3.36Å; D66-T68 PolarHBondContact OD1-N 3.1Å; D66-T68 PolarHBondContact OD1-OG1 3.36Å; D66-T68 PolarHBondContact OD2-OG1 2.85Å
67N84.1Confident85.4Confident119 Ų11965.8 Ų65.864%0.63634%0.337SS*.SBendtrans61.124.4-176.5-62.3-94.6000113.3F58 D62F58-N67 WeakPolarHBondContact CZ-O 3.21Å; D62-N67 PolarHBondContact OD1-N 3.35Å; D62-N67 WeakPolarHBondContact OD2-CA 3.22Å; D62-N67 PolarHBondContact OD2-N 3.43Å; D62-N67 VanDerWaalsContact OD2-N 3.17Å
68T87.6Confident85.5Confident34 Ų3465.5 Ų65.521%0.20934%0.337CS..EExtended strand (participates in β ladder)trans-134.2165.9169.867.30000109.5L28 D66L28-T68 CarbonylContact O-C 3.57Å; L28-T68 WeakPolarHBondContact O-CA 3.49Å; D66-T68 PolarHBondContact O-N 3.14Å; D66-T68 VanDerWaalsContact OD1-CA 3.29Å; D66-T68 WeakPolarHBondContact OD1-CA 3.31Å; D66-T68 WeakPolarHBondContact OD1-CB 3.36Å; D66-T68 PolarHBondContact OD1-N 3.1Å; D66-T68 PolarHBondContact OD1-OG1 3.36Å; D66-T68 PolarHBondContact OD2-OG1 2.85Å
69V88.9Confident85.6Confident0 Ų068 Ų680%036%0.355CS..EExtended strand (participates in β ladder)trans-119.2113.5175.4172.20000108.2T27 L28 L33 F58 L61 E73T27-V69 CarbonylContact C-O 3.55Å; T27-V69 WeakPolarHBondContact CA-O 3.29Å; L28-V69 HydrophobicContact CB-CB 4.24Å; L28-V69 PolarHBondContact N-O 3.07Å; L28-V69 PolarHBondContact O-N 3Å; L33-V69 HydrophobicContact CD2-CG2 4.21Å; F58-V69 HydrophobicContact CD2-CG2 3.99Å; F58-V69 HydrophobicContact CE2-CG2 3.73Å; F58-V69 HydrophobicContact CZ-CG2 4.38Å; L61-V69 HydrophobicContact CB-CG2 4.09Å; V69-E73 WeakPolarHBondContact CA-OE2 3.36Å; V69-E73 HydrophobicContact CG1-CB 3.79Å
70D89.4Confident85.5Confident49 Ų4964 Ų6426%0.26235%0.345SS..EExtended strand (participates in β ladder)trans-77.5171.617776.829000111.9T27 K72 E73 Y74T27-D70 HydrophobicContact CG2-CB 4.35Å; D70-K72 PolarHBondContact O-N 3.31Å; D70-K72 VanDerWaalsContact OD1-CA 3.29Å; D70-K72 WeakPolarHBondContact OD1-CA 3.4Å; D70-K72 WeakPolarHBondContact OD1-CB 3.49Å; D70-K72 PolarHBondContact OD1-N 3.33Å; D70-E73 PolarHBondContact N-OE2 2.94Å; D70-E73 PolarHBondContact O-N 2.8Å; D70-E73 PolarHBondContact OD1-N 3.3Å; D70-Y74 WeakPolarHBondContact O-CB 3.16Å; D70-Y74 PolarHBondContact O-N 3.42Å
71F88.4Confident85.3Confident76 Ų7658.8 Ų58.833%0.33332%0.317SS..Hα-helixtrans-59.3-33.5179.7-176.6-105.1000113I12 F15 Y74 V75I12-F71 HydrophobicContact CG1-CE2 3.97Å; I12-F71 HydrophobicContact CG1-CZ 3.61Å; F15-F71 HydrophobicContact CB-CD2 4.02Å; F15-F71 HydrophobicContact CB-CE2 4.13Å; F15-F71 AromaticContact CD1-CD2 3.75Å; F15-F71 HydrophobicContact CD1-CD2 3.75Å; F15-F71 HydrophobicContact CD2-CD2 4.05Å; F15-F71 HydrophobicContact CE1-CB 4.1Å; F15-F71 HydrophobicContact CE1-CD2 4.18Å; F15-F71 HydrophobicContact CE2-CB 4.42Å; F15-F71 HydrophobicContact CE2-CD2 4.45Å; F15-F71 AromaticContact CG-CD2 3.67Å; F15-F71 HydrophobicContact CG-CD2 3.67Å; F15-F71 HydrophobicContact CG-CE2 4.28Å; F15-F71 HydrophobicContact CZ-CB 4.05Å; F71-Y74 HydrophobicContact CD2-CD1 4.36Å; F71-Y74 HydrophobicContact CE2-CD1 4.35Å; F71-V75 HydrophobicContact CD1-CG2 4.05Å; F71-V75 HydrophobicContact CD2-CG2 4.47Å; F71-V75 HydrophobicContact CE1-CG2 3.58Å; F71-V75 HydrophobicContact CE2-CG2 4.04Å; F71-V75 HydrophobicContact CG-CG2 4.48Å; F71-V75 HydrophobicContact CZ-CG2 3.57Å; F71-V75 VanDerWaalsContact O-CG2 3.23Å; F71-V75 WeakPolarHBondContact O-CG2 3.35Å; F71-V75 PolarHBondContact O-N 2.82Å
72K87.9Confident85.4Confident159 Ų15962.2 Ų62.269%0.69134%0.339SS*.Hα-helixtrans-71.7-42.5-179.4-179.5-170.8174.8-168.80110.9D70 Y74 V75 T76D70-K72 PolarHBondContact O-N 3.31Å; D70-K72 VanDerWaalsContact OD1-CA 3.29Å; D70-K72 WeakPolarHBondContact OD1-CA 3.4Å; D70-K72 WeakPolarHBondContact OD1-CB 3.49Å; D70-K72 PolarHBondContact OD1-N 3.33Å; K72-Y74 VanDerWaalsContact C-N 3.35Å; K72-V75 PolarHBondContact O-N 3.07Å; K72-T76 PolarHBondContact O-N 3.04Å; K72-T76 PolarHBondContact O-OG1 3.15Å
73E88.8Confident85.3Confident19 Ų1965.7 Ų65.79%0.08936%0.36CS..Hα-helixtrans-62.7-44.4174.1-69.2173146.100110.1L61 S63 V69 D70 V75 T76 L77L61-E73 WeakPolarHBondContact CD2-O 3.43Å; L61-E73 VanDerWaalsContact O-CG 3.29Å; L61-E73 WeakPolarHBondContact O-CG 3.44Å; S63-E73 PolarHBondContact N-OE1 3.46Å; V69-E73 WeakPolarHBondContact CA-OE2 3.36Å; V69-E73 HydrophobicContact CG1-CB 3.79Å; D70-E73 PolarHBondContact N-OE2 2.94Å; D70-E73 PolarHBondContact O-N 2.8Å; D70-E73 PolarHBondContact OD1-N 3.3Å; E73-V75 PolarHBondContact O-N 3.44Å; E73-T76 WeakPolarHBondContact O-CB 3.31Å; E73-T76 PolarHBondContact O-N 2.73Å; E73-T76 VanDerWaalsContact O-N 3.12Å; E73-L77 PolarHBondContact O-N 3.03Å
74Y87.3Confident85.1Confident11 Ų1166.7 Ų66.74%0.04336%0.356CS..Hα-helixtrans-57.6-48173.3173.4-110.1000113.4L11 F15 L28 L36 D70 F71 K72 T76 L77 V78L11-Y74 HydrophobicContact CD2-CD1 4.11Å; L11-Y74 HydrophobicContact CD2-CE1 3.57Å; L11-Y74 HydrophobicContact CG-CE1 4.35Å; F15-Y74 HydrophobicContact CB-CD1 3.96Å; F15-Y74 HydrophobicContact CB-CE1 3.83Å; F15-Y74 AromaticContact CD2-CD1 3.48Å; F15-Y74 HydrophobicContact CD2-CD1 3.48Å; F15-Y74 VanDerWaalsContact CD2-CD1 3.48Å; F15-Y74 HydrophobicContact CD2-CD2 4.22Å; F15-Y74 HydrophobicContact CD2-CE1 4.12Å; F15-Y74 AromaticContact CD2-CG 3.52Å; F15-Y74 HydrophobicContact CD2-CG 3.52Å; F15-Y74 HydrophobicContact CE2-CD1 4.37Å; F15-Y74 HydrophobicContact CE2-CG 4.09Å; F15-Y74 HydrophobicContact CG-CD1 4.1Å; F15-Y74 HydrophobicContact CG-CE1 4.45Å; L28-Y74 HydrophobicContact CD1-CD2 4.31Å; L36-Y74 HydrophobicContact CD1-CD2 4.27Å; L36-Y74 HydrophobicContact CD1-CE2 3.6Å; L36-Y74 HydrophobicContact CD2-CE2 3.72Å; L36-Y74 HydrophobicContact CG-CE2 4.37Å; D70-Y74 WeakPolarHBondContact O-CB 3.16Å; D70-Y74 PolarHBondContact O-N 3.42Å; F71-Y74 HydrophobicContact CD2-CD1 4.36Å; F71-Y74 HydrophobicContact CE2-CD1 4.35Å; K72-Y74 VanDerWaalsContact C-N 3.35Å; Y74-T76 PolarHBondContact O-N 2.87Å; Y74-L77 VanDerWaalsContact O-CB 3.31Å; Y74-L77 WeakPolarHBondContact O-CB 3.3Å; Y74-L77 PolarHBondContact O-N 2.92Å; Y74-L77 VanDerWaalsContact O-N 3.15Å; Y74-V78 HydrophobicContact CD2-CG2 4.42Å; Y74-V78 HydrophobicContact CE1-CG2 4.21Å; Y74-V78 HydrophobicContact CE2-CG2 3.89Å; Y74-V78 PolarHBondContact O-N 3.22Å; Y74-V78 VanDerWaalsContact O-N 3.1Å
75V88.8Confident84.7Confident47 Ų4764.6 Ų64.629%0.28535%0.347SS..Hα-helixtrans-62.8-34177.4171.40000111.1L11 F71 K72 E73 V78 S79L11-V75 HydrophobicContact CD2-CG2 3.97Å; F71-V75 HydrophobicContact CD1-CG2 4.05Å; F71-V75 HydrophobicContact CD2-CG2 4.47Å; F71-V75 HydrophobicContact CE1-CG2 3.58Å; F71-V75 HydrophobicContact CE2-CG2 4.04Å; F71-V75 HydrophobicContact CG-CG2 4.48Å; F71-V75 HydrophobicContact CZ-CG2 3.57Å; F71-V75 VanDerWaalsContact O-CG2 3.23Å; F71-V75 WeakPolarHBondContact O-CG2 3.35Å; F71-V75 PolarHBondContact O-N 2.82Å; K72-V75 PolarHBondContact O-N 3.07Å; E73-V75 PolarHBondContact O-N 3.44Å; V75-V78 PolarHBondContact O-N 2.82Å; V75-S79 VanDerWaalsContact O-CB 3.3Å; V75-S79 WeakPolarHBondContact O-CB 3.4Å; V75-S79 PolarHBondContact O-N 2.79Å; V75-S79 PolarHBondContact O-OG 2.77Å
76T87.3Confident84.4Confident84 Ų8460.8 Ų60.852%0.51534%0.335SS..Hα-helixtrans-63.3-42.4175.5-56.40000111K72 E73 Y74 S79 C80K72-T76 PolarHBondContact O-N 3.04Å; K72-T76 PolarHBondContact O-OG1 3.15Å; E73-T76 WeakPolarHBondContact O-CB 3.31Å; E73-T76 PolarHBondContact O-N 2.73Å; E73-T76 VanDerWaalsContact O-N 3.12Å; Y74-T76 PolarHBondContact O-N 2.87Å; T76-S79 PolarHBondContact O-N 3.2Å; T76-C80 WeakPolarHBondContact O-CB 3.45Å; T76-C80 PolarHBondContact O-N 3.41Å
77L83.4Confident83.6Confident18 Ų1862.8 Ų62.89%0.09434%0.342CS..Hα-helixtrans-56.6-55.3172.5-175.465.8000111.2L37 I57 L61 E73 Y74 S79 C80 L81L37-L77 HydrophobicContact CD2-CD2 3.6Å; I57-L77 HydrophobicContact CG2-CD1 3.81Å; I57-L77 HydrophobicContact CG2-CD2 4.31Å; L61-L77 HydrophobicContact CD1-CB 4.03Å; L61-L77 HydrophobicContact CD1-CD1 4.02Å; L61-L77 HydrophobicContact CD1-CD2 3.92Å; L61-L77 HydrophobicContact CD1-CG 4.17Å; L61-L77 HydrophobicContact CD2-CB 3.53Å; L61-L77 HydrophobicContact CD2-CD1 4.1Å; L61-L77 HydrophobicContact CD2-CG 4.32Å; L61-L77 HydrophobicContact CG-CB 4.38Å; L61-L77 HydrophobicContact CG-CD1 4.37Å; E73-L77 PolarHBondContact O-N 3.03Å; Y74-L77 VanDerWaalsContact O-CB 3.31Å; Y74-L77 WeakPolarHBondContact O-CB 3.3Å; Y74-L77 PolarHBondContact O-N 2.92Å; Y74-L77 VanDerWaalsContact O-N 3.15Å; L77-S79 PolarHBondContact O-N 3.33Å; L77-C80 WeakPolarHBondContact O-CB 3.41Å; L77-C80 PolarHBondContact O-N 3.12Å; L77-L81 HydrophobicContact CD1-CD1 4.33Å; L77-L81 HydrophobicContact CD1-CG 4.32Å; L77-L81 HydrophobicContact CD2-CD1 4.28Å; L77-L81 HydrophobicContact CG-CD1 3.95Å; L77-L81 HydrophobicContact CG-CG 4.28Å; L77-L81 WeakPolarHBondContact O-CB 3.33Å; L77-L81 WeakPolarHBondContact O-CG 3.14Å; L77-L81 PolarHBondContact O-N 2.98Å
78V84.9Confident82.5Confident26 Ų2665 Ų6516%0.15835%0.346CS..Hα-helixtrans-62.8-36.5-174.4178.70000110.3L11 Y74 V75 T82L11-V78 HydrophobicContact CD1-CG1 3.83Å; L11-V78 HydrophobicContact CD2-CB 4.23Å; L11-V78 HydrophobicContact CD2-CG1 4.29Å; L11-V78 HydrophobicContact CD2-CG2 4.14Å; L11-V78 HydrophobicContact CG-CG1 4.3Å; Y74-V78 HydrophobicContact CD2-CG2 4.42Å; Y74-V78 HydrophobicContact CE1-CG2 4.21Å; Y74-V78 HydrophobicContact CE2-CG2 3.89Å; Y74-V78 PolarHBondContact O-N 3.22Å; Y74-V78 VanDerWaalsContact O-N 3.1Å; V75-V78 PolarHBondContact O-N 2.82Å; V78-T82 VanDerWaalsContact O-CB 3.29Å; V78-T82 WeakPolarHBondContact O-CB 3.35Å; V78-T82 PolarHBondContact O-N 3.5Å; V78-T82 PolarHBondContact O-OG1 2.88Å
79S86.3Confident80.9Confident60 Ų6070.5 Ų70.542%0.4237%0.367SS..Hα-helixtrans-63.3-46.4173.2-58.10000111.6V75 T76 L77 T82 V83V75-S79 VanDerWaalsContact O-CB 3.3Å; V75-S79 WeakPolarHBondContact O-CB 3.4Å; V75-S79 PolarHBondContact O-N 2.79Å; V75-S79 PolarHBondContact O-OG 2.77Å; T76-S79 PolarHBondContact O-N 3.2Å; L77-S79 PolarHBondContact O-N 3.33Å; S79-T82 WeakPolarHBondContact O-CB 3.39Å; S79-T82 PolarHBondContact O-N 2.83Å; S79-V83 WeakPolarHBondContact O-CG2 3.29Å; S79-V83 PolarHBondContact O-N 3.45Å
80C82.6Confident79.2Confident65 Ų6576.1 Ų76.144%0.43940%0.396SS..Hα-helixtrans-61.7-45.9177.7-168.50000111.7T76 L77 T82 V83 M84T76-C80 WeakPolarHBondContact O-CB 3.45Å; T76-C80 PolarHBondContact O-N 3.41Å; L77-C80 WeakPolarHBondContact O-CB 3.41Å; L77-C80 PolarHBondContact O-N 3.12Å; C80-T82 VanDerWaalsContact C-N 3.33Å; C80-T82 PolarHBondContact O-N 3.22Å; C80-V83 PolarHBondContact O-N 3.23Å; C80-M84 WeakPolarHBondContact O-CG 3.27Å; C80-M84 PolarHBondContact O-N 3.3Å
81L79.3Confident77Confident20 Ų2082.3 Ų82.311%0.10542%0.421CS..Hα-helixtrans-61.3-40.6174.5-71.7-179000111.9L41 M44 L45 L77 M84 C85L41-L81 HydrophobicContact CD1-CD1 3.7Å; L41-L81 HydrophobicContact CD2-CD1 3.96Å; L41-L81 HydrophobicContact CG-CD1 4.44Å; M44-L81 HydrophobicContact CE-CB 3.6Å; M44-L81 HydrophobicContact CE-CD1 4.41Å; M44-L81 HydrophobicContact CE-CD2 3.97Å; M44-L81 HydrophobicContact CE-CG 4.18Å; L45-L81 HydrophobicContact CD2-CD2 4.24Å; L77-L81 HydrophobicContact CD1-CD1 4.33Å; L77-L81 HydrophobicContact CD1-CG 4.32Å; L77-L81 HydrophobicContact CD2-CD1 4.28Å; L77-L81 HydrophobicContact CG-CD1 3.95Å; L77-L81 HydrophobicContact CG-CG 4.28Å; L77-L81 WeakPolarHBondContact O-CB 3.33Å; L77-L81 WeakPolarHBondContact O-CG 3.14Å; L77-L81 PolarHBondContact O-N 2.98Å; L81-M84 PolarHBondContact O-N 3.46Å; L81-C85 WeakPolarHBondContact O-CB 3.49Å; L81-C85 PolarHBondContact O-N 3.36Å
82T84.2Confident74.8Confident86 Ų8689.9 Ų89.953%0.52845%0.454SS..Hα-helixtrans-63.8-42.1175.6-58.30000111V78 S79 C80 C85 N86V78-T82 VanDerWaalsContact O-CB 3.29Å; V78-T82 WeakPolarHBondContact O-CB 3.35Å; V78-T82 PolarHBondContact O-N 3.5Å; V78-T82 PolarHBondContact O-OG1 2.88Å; S79-T82 WeakPolarHBondContact O-CB 3.39Å; S79-T82 PolarHBondContact O-N 2.83Å; C80-T82 VanDerWaalsContact C-N 3.33Å; C80-T82 PolarHBondContact O-N 3.22Å; T82-C85 PolarHBondContact O-N 2.84Å; T82-N86 WeakPolarHBondContact O-CB 3.2Å; T82-N86 PolarHBondContact O-N 2.79Å
83V83.6Confident74.2Confident85 Ų8586.5 Ų86.552%0.51544%0.442SS..Hα-helixtrans-65.3-44.2175.51730000110.9S79 C80 N86 E87S79-V83 WeakPolarHBondContact O-CG2 3.29Å; S79-V83 PolarHBondContact O-N 3.45Å; C80-V83 PolarHBondContact O-N 3.23Å; V83-N86 WeakPolarHBondContact O-CB 3.33Å; V83-N86 PolarHBondContact O-N 3.47Å; V83-E87 PolarHBondContact O-N 2.8Å
84M74.8Confident73.4Confident117 Ų11790 Ų9058%0.57646%0.46SS*.Hα-helixtrans-60.7-45.3175.3-76.3-172.2167.800112C80 L81 N86 E87 F88C80-M84 WeakPolarHBondContact O-CG 3.27Å; C80-M84 PolarHBondContact O-N 3.3Å; L81-M84 PolarHBondContact O-N 3.46Å; M84-N86 VanDerWaalsContact C-N 3.34Å; M84-E87 PolarHBondContact O-N 3.1Å; M84-F88 WeakPolarHBondContact O-CB 3.23Å; M84-F88 PolarHBondContact O-N 3.45Å
85C74.3Confident72.6Confident40 Ų4094.4 Ų94.427%0.2748%0.484SS..Hα-helixtrans-60.9-44.3172.4-86.50000111.4M44 L81 T82 E87 F88 F89M44-C85 WeakPolarHBondContact CE-SG 3.42Å; L81-C85 WeakPolarHBondContact O-CB 3.49Å; L81-C85 PolarHBondContact O-N 3.36Å; T82-C85 PolarHBondContact O-N 2.84Å; C85-E87 VanDerWaalsContact C-N 3.35Å; C85-E87 PolarHBondContact O-N 2.82Å; C85-F88 CarbonylContact O-C 3.57Å; C85-F88 WeakPolarHBondContact O-CB 3.39Å; C85-F88 PolarHBondContact O-N 3.38Å; C85-F88 VanDerWaalsContact O-N 3.1Å; C85-F89 HydrophobicContact CB-CD2 4.45Å; C85-F89 WeakPolarHBondContact O-CB 3.25Å; C85-F89 VanDerWaalsContact O-CD2 3.27Å; C85-F89 WeakPolarHBondContact O-CD2 3.44Å; C85-F89 PolarHBondContact O-N 2.97Å
86N77.1Confident71.7Confident87 Ų8797.2 Ų97.247%0.46550%0.495SS..Hα-helixtrans-60.6-43.4178.5-175.865.8000111.4T82 V83 M84 F88 F89 I90T82-N86 WeakPolarHBondContact O-CB 3.2Å; T82-N86 PolarHBondContact O-N 2.79Å; V83-N86 WeakPolarHBondContact O-CB 3.33Å; V83-N86 PolarHBondContact O-N 3.47Å; M84-N86 VanDerWaalsContact C-N 3.34Å; N86-F88 VanDerWaalsContact C-N 3.33Å; N86-F88 PolarHBondContact O-N 3.17Å; N86-F89 PolarHBondContact O-N 3.4Å; N86-I90 WeakPolarHBondContact ND2-CD1 3.42Å; N86-I90 VanDerWaalsContact O-CB 3.23Å; N86-I90 WeakPolarHBondContact O-CB 3.41Å; N86-I90 WeakPolarHBondContact O-CG1 3.45Å; N86-I90 PolarHBondContact O-N 2.85Å; N86-I90 WeakPolarHBondContact OD1-CD1 3.16Å
87E65.9Low70.7Confident117 Ų11798 Ų9855%0.54749%0.494SS..Hα-helixtrans-63.2-38.3172.5-71.8-162.5154.100112.7V83 M84 C85 K91V83-E87 PolarHBondContact O-N 2.8Å; M84-E87 PolarHBondContact O-N 3.1Å; C85-E87 VanDerWaalsContact C-N 3.35Å; C85-E87 PolarHBondContact O-N 2.82Å; E87-K91 VanDerWaalsContact O-CB 3.29Å; E87-K91 WeakPolarHBondContact O-CB 3.29Å; E87-K91 WeakPolarHBondContact O-CG 3.41Å; E87-K91 PolarHBondContact O-N 3.4Å
88F61.2Low69.9Low164 Ų164103.3 Ų103.372%0.71952%0.521SS*.Hα-helixtrans-67.9-37177.8-164.9-91.1000112.5M84 C85 N86M84-F88 WeakPolarHBondContact O-CB 3.23Å; M84-F88 PolarHBondContact O-N 3.45Å; C85-F88 CarbonylContact O-C 3.57Å; C85-F88 WeakPolarHBondContact O-CB 3.39Å; C85-F88 PolarHBondContact O-N 3.38Å; C85-F88 VanDerWaalsContact O-N 3.1Å; N86-F88 VanDerWaalsContact C-N 3.33Å; N86-F88 PolarHBondContact O-N 3.17Å
89F53.9Low68.8Low150 Ų150108.9 Ų108.966%0.65855%0.547SS*.Hα-helixtrans-80.3-32.8177.7-87.6-81.2000113C85 N86C85-F89 HydrophobicContact CB-CD2 4.45Å; C85-F89 WeakPolarHBondContact O-CB 3.25Å; C85-F89 VanDerWaalsContact O-CD2 3.27Å; C85-F89 WeakPolarHBondContact O-CD2 3.44Å; C85-F89 PolarHBondContact O-N 2.97Å; N86-F89 PolarHBondContact O-N 3.4Å
90I54.7Low67.5Low118 Ų118112.6 Ų112.661%0.60556%0.556SS**Hα-helixtrans-75.8-26.6175.9-69.5175.8000111.8N86 K92N86-I90 WeakPolarHBondContact ND2-CD1 3.42Å; N86-I90 VanDerWaalsContact O-CB 3.23Å; N86-I90 WeakPolarHBondContact O-CB 3.41Å; N86-I90 WeakPolarHBondContact O-CG1 3.45Å; N86-I90 PolarHBondContact O-N 2.85Å; N86-I90 WeakPolarHBondContact OD1-CD1 3.16Å; I90-K92 PolarHBondContact O-N 3.04Å
91K43.1Very low66.2Low180 Ų180116.6 Ų116.678%0.78357%0.566SS**THydrogen-bonded Turntrans-79.22.4175-82.6-177.3176.2169.80114.6E87E87-K91 VanDerWaalsContact O-CB 3.29Å; E87-K91 WeakPolarHBondContact O-CB 3.29Å; E87-K91 WeakPolarHBondContact O-CG 3.41Å; E87-K91 PolarHBondContact O-N 3.4Å
92K42.3Very low65Low235 Ų235125.4 Ų125.4100%1.02261%0.608SS**  trans-105.70176.2-154-176.8-174-1750110.4I90I90-K92 PolarHBondContact O-N 3.04Å

Retrieved 92 of 92 residues in 122.2 ms (Link to these results)

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