A0A060WZ60_ONCMY Loading...

Protein S100

AlphaFold DB (A0A1S3RWW0), UniProt , Accession A0A060WZ60, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110487342, Length 96 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
1M53.3Low85.9Confident244 Ų244101.6 Ų101.6100%1.20256%0.564SS**  0116.10-71.5179.9-174.800105.9
2G71Confident86.3Confident41 Ų4198 Ų9842%0.42354%0.542SS..  trans-66.5167.2178.200000111.6E6G2-E6 WeakPolarHBondContact CA-OE2 3.29Å
3S92.9Very high86.7Confident61 Ų6196.1 Ų96.143%0.42753%0.529SS..  trans-58.7163.1171.874.30000111.2L5 E6 S7S3-L5 PolarHBondContact O-N 2.83Å; S3-E6 PolarHBondContact N-OE2 3.12Å; S3-E6 PolarHBondContact O-N 2.67Å; S3-E6 VanDerWaalsContact O-N 3.16Å; S3-E6 WeakPolarHBondContact OG-CG 3.38Å; S3-E6 PolarHBondContact OG-N 2.69Å; S3-S7 PolarHBondContact O-N 2.74Å; S3-S7 PolarHBondContact O-OG 3.18Å
4K91.4Very high87.1Confident196 Ų196101.2 Ų101.285%0.85254%0.537SS*.Hα-helixtrans-56-36.9177-68.1-175.2178.3-178.20111.9S7 A8K4-S7 PolarHBondContact O-N 2.86Å; K4-A8 PolarHBondContact O-N 3.36Å
5L89Confident87.4Confident121 Ų12196.9 Ų96.963%0.63452%0.516SS*.Hα-helixtrans-68.7-45.7177.9-178.460.1000111.6S3 S7 A8 M9S3-L5 PolarHBondContact O-N 2.83Å; L5-S7 PolarHBondContact O-N 3.18Å; L5-A8 PolarHBondContact O-N 3.05Å; L5-A8 VanDerWaalsContact O-N 3.14Å; L5-M9 HydrophobicContact CG-SD 4.29Å; L5-M9 WeakPolarHBondContact O-CG 3.46Å; L5-M9 PolarHBondContact O-N 3.25Å
6E90.9Very high87.7Confident113 Ų11390.9 Ų90.953%0.52848%0.484SS..Hα-helixtrans-59.3-38.9175.1-71.9170.2168.700111.6G2 S3 M9 E10G2-E6 WeakPolarHBondContact CA-OE2 3.29Å; S3-E6 PolarHBondContact N-OE2 3.12Å; S3-E6 PolarHBondContact O-N 2.67Å; S3-E6 VanDerWaalsContact O-N 3.16Å; S3-E6 WeakPolarHBondContact OG-CG 3.38Å; S3-E6 PolarHBondContact OG-N 2.69Å; E6-M9 PolarHBondContact O-N 3.03Å; E6-E10 WeakPolarHBondContact O-CB 3.39Å; E6-E10 PolarHBondContact O-N 3.3Å
7S91.5Very high87.8Confident61 Ų6190.1 Ų90.143%0.42748%0.476SS..Hα-helixtrans-67.4-37.4177.2-54.60000112.1S3 K4 L5 G11S3-S7 PolarHBondContact O-N 2.74Å; S3-S7 PolarHBondContact O-OG 3.18Å; K4-S7 PolarHBondContact O-N 2.86Å; L5-S7 PolarHBondContact O-N 3.18Å; S7-G11 PolarHBondContact O-N 2.92Å
8A90.1Very high88Confident55 Ų5588.1 Ų88.146%0.45547%0.471SS..Hα-helixtrans-67.1-44.1174.800000111.5K4 L5 E10 G11 L12K4-A8 PolarHBondContact O-N 3.36Å; L5-A8 PolarHBondContact O-N 3.05Å; L5-A8 VanDerWaalsContact O-N 3.14Å; A8-E10 VanDerWaalsContact C-N 3.34Å; A8-E10 PolarHBondContact O-N 3.36Å; A8-G11 WeakPolarHBondContact O-CA 3.5Å; A8-G11 PolarHBondContact O-N 3.42Å; A8-G11 VanDerWaalsContact O-N 3.12Å; A8-L12 WeakPolarHBondContact O-CG 3.42Å; A8-L12 PolarHBondContact O-N 3.44Å
9M90.7Very high88.1Confident104 Ų10484.8 Ų84.851%0.51245%0.452SS..Hα-helixtrans-59.5-44.9174.5-68.1173.871.500111.4L5 E6 G11 L12 I13L5-M9 HydrophobicContact CG-SD 4.29Å; L5-M9 WeakPolarHBondContact O-CG 3.46Å; L5-M9 PolarHBondContact O-N 3.25Å; E6-M9 PolarHBondContact O-N 3.03Å; M9-G11 VanDerWaalsContact C-N 3.29Å; M9-G11 PolarHBondContact O-N 2.99Å; M9-L12 PolarHBondContact O-N 3.43Å; M9-I13 WeakPolarHBondContact O-CG1 3.27Å; M9-I13 PolarHBondContact O-N 2.79Å; M9-I13 VanDerWaalsContact O-N 3.12Å
10E91.7Very high88.1Confident91 Ų9180.6 Ų80.643%0.42543%0.429SS..Hα-helixtrans-61.4-38.7174.8-170.6-178.1179.900111.8E6 A8 I13 R14E6-E10 WeakPolarHBondContact O-CB 3.39Å; E6-E10 PolarHBondContact O-N 3.3Å; A8-E10 VanDerWaalsContact C-N 3.34Å; A8-E10 PolarHBondContact O-N 3.36Å; E10-I13 PolarHBondContact O-N 3.08Å; E10-R14 HydrophobicContact CG-CG 4.43Å; E10-R14 WeakPolarHBondContact O-CB 3.36Å; E10-R14 VanDerWaalsContact O-CG 3.27Å; E10-R14 WeakPolarHBondContact O-CG 3.22Å; E10-R14 PolarHBondContact O-N 3.26Å; E10-R14 IonicContact OE1-CZ 3.23Å; E10-R14 VanDerWaalsContact OE1-CZ 3.23Å; E10-R14 IonicContact OE1-NE 3.01Å; E10-R14 PolarHBondContact OE1-NE 2.93Å; E10-R14 IonicContact OE1-NH2 2.67Å; E10-R14 PolarHBondContact OE1-NH2 3.48Å
11G91.9Very high87.7Confident31 Ų3180.4 Ų80.432%0.3243%0.434SS..Hα-helixtrans-57.9-48.7173.900000112.6S7 A8 M9 I13 R14 V15S7-G11 PolarHBondContact O-N 2.92Å; A8-G11 WeakPolarHBondContact O-CA 3.5Å; A8-G11 PolarHBondContact O-N 3.42Å; A8-G11 VanDerWaalsContact O-N 3.12Å; M9-G11 VanDerWaalsContact C-N 3.29Å; M9-G11 PolarHBondContact O-N 2.99Å; G11-I13 PolarHBondContact O-N 3.09Å; G11-R14 PolarHBondContact O-N 3.41Å; G11-V15 WeakPolarHBondContact O-CG2 3.26Å; G11-V15 PolarHBondContact O-N 3.01Å
12L91.6Very high88.6Confident58 Ų5874.9 Ų74.930%0.30440%0.403SS..Hα-helixtrans-59.8-45.7178-65.7176.1000112.1A8 M9 R14 V15 F16 V79A8-L12 WeakPolarHBondContact O-CG 3.42Å; A8-L12 PolarHBondContact O-N 3.44Å; M9-L12 PolarHBondContact O-N 3.43Å; L12-R14 PolarHBondContact O-N 3.02Å; L12-V15 PolarHBondContact O-N 3.31Å; L12-F16 WeakPolarHBondContact O-CB 3.46Å; L12-F16 PolarHBondContact O-N 2.8Å; L12-V79 HydrophobicContact CD2-CG1 3.8Å; L12-V79 HydrophobicContact CD2-CG2 4.44Å
13I91.6Very high88.3Confident73 Ų7378.9 Ų78.937%0.37441%0.411SS..Hα-helixtrans-60.8-46.2178.2-66.4165.2000110.5M9 E10 G11 F16 H17 F72M9-I13 WeakPolarHBondContact O-CG1 3.27Å; M9-I13 PolarHBondContact O-N 2.79Å; M9-I13 VanDerWaalsContact O-N 3.12Å; E10-I13 PolarHBondContact O-N 3.08Å; G11-I13 PolarHBondContact O-N 3.09Å; I13-F16 PolarHBondContact O-N 2.84Å; I13-H17 PolarHBondContact O-CD2 3.25Å; I13-H17 VanDerWaalsContact O-CD2 3.25Å; I13-H17 PolarHBondContact O-N 3.48Å; I13-F72 HydrophobicContact CG1-CE1 4.43Å; I13-F72 HydrophobicContact CG1-CE2 4.09Å; I13-F72 HydrophobicContact CG1-CZ 3.61Å
14R91.4Very high87.2Confident168 Ų16880 Ų8063%0.63443%0.432SS*.Hα-helixtrans-64.5-43.6-179.8-76.2173.9177.4-132.45.1112.1E10 G11 L12 S18E10-R14 HydrophobicContact CG-CG 4.43Å; E10-R14 WeakPolarHBondContact O-CB 3.36Å; E10-R14 VanDerWaalsContact O-CG 3.27Å; E10-R14 WeakPolarHBondContact O-CG 3.22Å; E10-R14 PolarHBondContact O-N 3.26Å; E10-R14 IonicContact OE1-CZ 3.23Å; E10-R14 VanDerWaalsContact OE1-CZ 3.23Å; E10-R14 IonicContact OE1-NE 3.01Å; E10-R14 PolarHBondContact OE1-NE 2.93Å; E10-R14 IonicContact OE1-NH2 2.67Å; E10-R14 PolarHBondContact OE1-NH2 3.48Å; G11-R14 PolarHBondContact O-N 3.41Å; L12-R14 PolarHBondContact O-N 3.02Å; R14-S18 WeakPolarHBondContact O-CB 3.41Å; R14-S18 PolarHBondContact O-N 3.31Å
15V92.1Very high86.6Confident37 Ų3773.8 Ų73.822%0.22441%0.408CS..Hα-helixtrans-58.5-56.1176.4166.60000109.1G11 L12 H17 S18 Y19 L37 E41 F75G11-V15 WeakPolarHBondContact O-CG2 3.26Å; G11-V15 PolarHBondContact O-N 3.01Å; L12-V15 PolarHBondContact O-N 3.31Å; V15-H17 PolarHBondContact O-N 3.32Å; V15-S18 WeakPolarHBondContact O-CB 3.46Å; V15-S18 PolarHBondContact O-N 3.05Å; V15-S18 PolarHBondContact O-OG 2.76Å; V15-Y19 HydrophobicContact CG1-CD2 4.23Å; V15-Y19 HydrophobicContact CG1-CE2 4.12Å; V15-Y19 WeakPolarHBondContact O-CD2 3.41Å; V15-Y19 PolarHBondContact O-N 2.88Å; V15-L37 HydrophobicContact CG1-CD1 4.12Å; V15-L37 HydrophobicContact CG1-CG 4.28Å; V15-E41 HydrophobicContact CG1-CG 3.83Å; V15-F75 HydrophobicContact CG1-CZ 4.41Å
16F91.8Very high86.2Confident1 Ų173.5 Ų73.50%0.00440%0.402CS..Hα-helixtrans-51.4-53.8-179.3-178.2-93.5000112.1L12 I13 S18 Y19 S20 Y27 L29 F72 F75L12-F16 WeakPolarHBondContact O-CB 3.46Å; L12-F16 PolarHBondContact O-N 2.8Å; I13-F16 PolarHBondContact O-N 2.84Å; F16-S18 VanDerWaalsContact C-N 3.27Å; F16-S18 PolarHBondContact O-N 2.95Å; F16-Y19 PolarHBondContact O-N 2.95Å; F16-Y19 VanDerWaalsContact O-N 3.09Å; F16-S20 PolarHBondContact O-N 3.01Å; F16-S20 PolarHBondContact O-OG 2.94Å; F16-Y27 WeakPolarHBondContact CE1-O 3.42Å; F16-Y27 WeakPolarHBondContact CZ-O 3.33Å; F16-L29 HydrophobicContact CD2-CD1 3.63Å; F16-L29 HydrophobicContact CD2-CG 4.09Å; F16-L29 HydrophobicContact CE2-CD1 3.51Å; F16-L29 HydrophobicContact CE2-CG 3.69Å; F16-L29 HydrophobicContact CZ-CD1 4.48Å; F16-L29 HydrophobicContact CZ-CG 4.2Å; F16-F72 HydrophobicContact CB-CD2 3.91Å; F16-F72 HydrophobicContact CB-CE2 4.02Å; F16-F72 HydrophobicContact CD1-CB 4.43Å; F16-F72 AromaticContact CD1-CD2 3.73Å; F16-F72 HydrophobicContact CD1-CD2 3.73Å; F16-F72 AromaticContact CD2-CD2 3.95Å; F16-F72 HydrophobicContact CD2-CD2 3.95Å; F16-F72 HydrophobicContact CE1-CB 4.05Å; F16-F72 HydrophobicContact CE1-CD2 4.2Å; F16-F72 HydrophobicContact CE2-CB 4.36Å; F16-F72 HydrophobicContact CE2-CD2 4.39Å; F16-F72 AromaticContact CG-CD2 3.59Å; F16-F72 HydrophobicContact CG-CD2 3.59Å; F16-F72 HydrophobicContact CG-CE2 4.22Å; F16-F72 HydrophobicContact CZ-CB 4.01Å; F16-F75 HydrophobicContact CB-CD1 4.12Å; F16-F75 HydrophobicContact CB-CE1 4.03Å; F16-F75 HydrophobicContact CD2-CB 3.71Å; F16-F75 AromaticContact CD2-CD1 3.65Å; F16-F75 HydrophobicContact CD2-CD1 3.65Å; F16-F75 HydrophobicContact CD2-CD2 4.16Å; F16-F75 HydrophobicContact CD2-CE1 4.31Å; F16-F75 AromaticContact CD2-CG 3.56Å; F16-F75 HydrophobicContact CD2-CG 3.56Å; F16-F75 HydrophobicContact CE2-CB 3.75Å; F16-F75 HydrophobicContact CE2-CG 4.13Å; F16-F75 HydrophobicContact CG-CD1 4.27Å
17H90.4Very high86Confident76 Ų7674.3 Ų74.335%0.35240%0.401SS..Hα-helixtrans-66.8-24.2-179.2-76.3-58.6000114.5I13 V15 Y19 S20 S21I13-H17 PolarHBondContact O-CD2 3.25Å; I13-H17 VanDerWaalsContact O-CD2 3.25Å; I13-H17 PolarHBondContact O-N 3.48Å; V15-H17 PolarHBondContact O-N 3.32Å; H17-Y19 PolarHBondContact O-N 3.03Å; H17-S20 WeakPolarHBondContact CA-OG 3.42Å; H17-S21 WeakPolarHBondContact O-CB 3.27Å; H17-S21 PolarHBondContact O-OG 3.41Å
18S90.4Very high86Confident55 Ų5573.7 Ų73.739%0.38539%0.39SS..Hα-helixtrans-69.7-23.2175.283.60000112.9R14 V15 F16 K22R14-S18 WeakPolarHBondContact O-CB 3.41Å; R14-S18 PolarHBondContact O-N 3.31Å; V15-S18 WeakPolarHBondContact O-CB 3.46Å; V15-S18 PolarHBondContact O-N 3.05Å; V15-S18 PolarHBondContact O-OG 2.76Å; F16-S18 VanDerWaalsContact C-N 3.27Å; F16-S18 PolarHBondContact O-N 2.95Å; S18-K22 VanDerWaalsContact O-CE 3.29Å; S18-K22 WeakPolarHBondContact O-CE 3.35Å
19Y90.6Very high86Confident26 Ų2671 Ų7110%0.10237%0.369CS..Hα-helixtrans-102.5-36.9178.8-67-85.2000112.7V15 F16 H17 S21 E33 N36 L37 E41V15-Y19 HydrophobicContact CG1-CD2 4.23Å; V15-Y19 HydrophobicContact CG1-CE2 4.12Å; V15-Y19 WeakPolarHBondContact O-CD2 3.41Å; V15-Y19 PolarHBondContact O-N 2.88Å; F16-Y19 PolarHBondContact O-N 2.95Å; F16-Y19 VanDerWaalsContact O-N 3.09Å; H17-Y19 PolarHBondContact O-N 3.03Å; Y19-S21 VanDerWaalsContact C-N 3.26Å; Y19-S21 PolarHBondContact O-N 3.23Å; Y19-E33 VanDerWaalsContact O-CD 3.23Å; Y19-E33 VanDerWaalsContact O-CG 3.26Å; Y19-E33 WeakPolarHBondContact O-CG 3.23Å; Y19-N36 HydrophobicContact CD1-CB 4.15Å; Y19-N36 HydrophobicContact CE1-CB 4.37Å; Y19-L37 HydrophobicContact CD1-CB 3.94Å; Y19-L37 HydrophobicContact CD2-CB 3.84Å; Y19-L37 HydrophobicContact CD2-CD1 3.79Å; Y19-L37 HydrophobicContact CD2-CG 3.68Å; Y19-L37 HydrophobicContact CE1-CB 4.33Å; Y19-L37 HydrophobicContact CE2-CB 4.28Å; Y19-L37 HydrophobicContact CE2-CG 4.03Å; Y19-L37 HydrophobicContact CG-CB 3.71Å; Y19-L37 HydrophobicContact CG-CD1 4.16Å; Y19-L37 HydrophobicContact CG-CG 4.07Å; Y19-E41 HydrophobicContact CE2-CG 3.84Å; Y19-E41 WeakPolarHBondContact CE2-OE1 3.33Å; Y19-E41 PolarHBondContact OH-OE1 3.12Å
20S87.5Confident85.9Confident0 Ų067.3 Ų67.30%035%0.353CS..Hα-helixtrans-74.3-9-177.369.60000115F16 H17 K26 K28F16-S20 PolarHBondContact O-N 3.01Å; F16-S20 PolarHBondContact O-OG 2.94Å; H17-S20 WeakPolarHBondContact CA-OG 3.42Å; S20-K26 VanDerWaalsContact O-CA 3.27Å; S20-K26 WeakPolarHBondContact O-CA 3.03Å; S20-K26 PolarHBondContact OG-O 3.19Å; S20-K28 VanDerWaalsContact CB-O 3.23Å; S20-K28 WeakPolarHBondContact CB-O 3.36Å
21S79.6Confident85.6Confident76 Ų7667.6 Ų67.653%0.53135%0.353SS..THydrogen-bonded Turntrans-98.38.2-176.155.70000113.7H17 Y19H17-S21 WeakPolarHBondContact O-CB 3.27Å; H17-S21 PolarHBondContact O-OG 3.41Å; Y19-S21 VanDerWaalsContact C-N 3.26Å; Y19-S21 PolarHBondContact O-N 3.23Å
22K72.1Confident85.4Confident129 Ų12969.9 Ų69.956%0.56136%0.36SS*.SBendtrans-90.9-37.8-172.5-70.9179.8177.61670111.8S18 E33S18-K22 VanDerWaalsContact O-CE 3.29Å; S18-K22 WeakPolarHBondContact O-CE 3.35Å; K22-E33 HydrophobicContact CB-CG 4.49Å; K22-E33 PolarHBondContact N-OE1 3.03Å; K22-E33 VanDerWaalsContact N-OE1 3.12Å
23E65.6Low85.4Confident125 Ų12567.3 Ų67.358%0.58435%0.347SS*.SBendtrans-145133.9177.7-66-171157.600111.2E33E23-E33 PolarHBondContact N-OE1 3.28Å
24G69.9Low85.2Confident84 Ų8463.9 Ų63.987%0.86633%0.329SS*.SBendtrans80.9-129.5172.500000115.2
25D78.1Confident85Confident66 Ų6660.5 Ų60.535%0.35332%0.319SS..  trans-85.8115.5-176.5-171.5-16.4000111.4Y27 K28D25-Y27 PolarHBondContact O-N 2.86Å; D25-Y27 WeakPolarHBondContact OD1-CD2 3.34Å; D25-Y27 PolarHBondContact OD1-N 2.87Å; D25-K28 HydrophobicContact CB-CB 4.42Å; D25-K28 PolarHBondContact O-N 2.96Å
26K81.8Confident84.9Confident114 Ų11461.9 Ų61.950%0.49633%0.325SS..THydrogen-bonded Turntrans-54.5-15.6177.957.2166.8163.3162.80115.7S20S20-K26 VanDerWaalsContact O-CA 3.27Å; S20-K26 WeakPolarHBondContact O-CA 3.03Å; S20-K26 PolarHBondContact OG-O 3.19Å
27Y86.3Confident84.8Confident131 Ų13162 Ų6251%0.51433%0.326SS..THydrogen-bonded Turntrans-101.80.8-179.6-56.1-64.8000114F16 D25F16-Y27 WeakPolarHBondContact CE1-O 3.42Å; F16-Y27 WeakPolarHBondContact CZ-O 3.33Å; D25-Y27 PolarHBondContact O-N 2.86Å; D25-Y27 WeakPolarHBondContact OD1-CD2 3.34Å; D25-Y27 PolarHBondContact OD1-N 2.87Å
28K90.3Very high84.6Confident47 Ų4758.4 Ų58.420%0.20431%0.309CS..EExtended strand (participates in β ladder)trans-137.8152.2-179-61.4-177.9174.4-169.40111.3S20 D25 D67 E69 V70 D71S20-K28 VanDerWaalsContact CB-O 3.23Å; S20-K28 WeakPolarHBondContact CB-O 3.36Å; D25-K28 HydrophobicContact CB-CB 4.42Å; D25-K28 PolarHBondContact O-N 2.96Å; K28-D67 IonicContact NZ-OD2 2.63Å; K28-D67 PolarHBondContact NZ-OD2 2.84Å; K28-E69 HydrophobicContact CB-CB 4.07Å; K28-E69 HydrophobicContact CD-CB 3.88Å; K28-E69 HydrophobicContact CD-CG 4.46Å; K28-E69 WeakPolarHBondContact CD-OE2 3.24Å; K28-E69 IonicContact NZ-OE2 3.03Å; K28-E69 PolarHBondContact NZ-OE2 3.44Å; K28-V70 CarbonylContact C-O 3.59Å; K28-V70 WeakPolarHBondContact CA-O 3.36Å; K28-D71 HydrophobicContact CG-CB 4.23Å
29L90.4Very high84.4Confident0 Ų060.6 Ų60.60%031%0.313CS..EExtended strand (participates in β ladder)trans-96.9120.1173.5-66.8164.7000108.6F16 E33 L34 L37 E69 V70 F75F16-L29 HydrophobicContact CD2-CD1 3.63Å; F16-L29 HydrophobicContact CD2-CG 4.09Å; F16-L29 HydrophobicContact CE2-CD1 3.51Å; F16-L29 HydrophobicContact CE2-CG 3.69Å; F16-L29 HydrophobicContact CZ-CD1 4.48Å; F16-L29 HydrophobicContact CZ-CG 4.2Å; L29-E33 HydrophobicContact CB-CB 4.38Å; L29-E33 HydrophobicContact CD2-CB 3.76Å; L29-L34 HydrophobicContact CB-CB 4.36Å; L29-L34 HydrophobicContact CD1-CD1 4.25Å; L29-L37 HydrophobicContact CD1-CD1 3.82Å; L29-L37 HydrophobicContact CD2-CD1 4.46Å; L29-E69 CarbonylContact O-C 2.97Å; L29-E69 WeakPolarHBondContact O-CA 3.21Å; L29-V70 HydrophobicContact CB-CB 4.29Å; L29-V70 PolarHBondContact N-O 3.4Å; L29-V70 PolarHBondContact O-N 3.41Å; L29-F75 HydrophobicContact CD1-CD2 4.33Å
30S89.5Confident84.2Confident25 Ų2561.5 Ų61.518%0.17533%0.331CS..EExtended strand (participates in β ladder)trans-65163.5163.464.20000110.8V32 E33 L34S30-V32 PolarHBondContact O-N 3.35Å; S30-V32 VanDerWaalsContact O-N 3.08Å; S30-E33 WeakPolarHBondContact CB-OE2 3.5Å; S30-E33 PolarHBondContact N-OE2 2.86Å; S30-E33 PolarHBondContact O-N 2.9Å; S30-E33 WeakPolarHBondContact OG-CG 3.4Å; S30-E33 PolarHBondContact OG-N 3.16Å; S30-E33 PolarHBondContact OG-OE2 2.83Å; S30-L34 PolarHBondContact O-N 3.01Å
31K85.4Confident84.2Confident97 Ų9766.2 Ų66.242%0.42235%0.353SS..Hα-helixtrans-51.1-35.7174.1-175175.5178.3178.70113.2K35 E56 M59K31-K35 WeakPolarHBondContact O-CB 3.31Å; K31-K35 PolarHBondContact O-N 2.94Å; K31-K35 VanDerWaalsContact O-N 3.16Å; K31-E56 IonicContact NZ-OE1 2.75Å; K31-E56 PolarHBondContact NZ-OE1 2.88Å; K31-M59 HydrophobicContact CB-CE 4.45Å; K31-M59 HydrophobicContact CB-SD 4.23Å; K31-M59 HydrophobicContact CG-CG 4.45Å; K31-M59 HydrophobicContact CG-SD 4.47Å
32V87.6Confident84.4Confident80 Ų8065 Ų6549%0.48534%0.34SS..Hα-helixtrans-72.9-43.5179.2178.80000110.9S30 K35 N36S30-V32 PolarHBondContact O-N 3.35Å; S30-V32 VanDerWaalsContact O-N 3.08Å; V32-K35 WeakPolarHBondContact O-CB 3.4Å; V32-K35 PolarHBondContact O-N 3.43Å; V32-N36 VanDerWaalsContact O-CG 3.31Å; V32-N36 PolarHBondContact O-N 3.34Å; V32-N36 PolarHBondContact O-ND2 3.12Å
33E90.4Very high84.8Confident4 Ų461.7 Ų61.72%0.01933%0.333CS..Hα-helixtrans-68.3-41.2178.8-68.6165.7134.100112Y19 K22 E23 L29 S30 K35 N36 L37Y19-E33 VanDerWaalsContact O-CD 3.23Å; Y19-E33 VanDerWaalsContact O-CG 3.26Å; Y19-E33 WeakPolarHBondContact O-CG 3.23Å; K22-E33 HydrophobicContact CB-CG 4.49Å; K22-E33 PolarHBondContact N-OE1 3.03Å; K22-E33 VanDerWaalsContact N-OE1 3.12Å; E23-E33 PolarHBondContact N-OE1 3.28Å; L29-E33 HydrophobicContact CB-CB 4.38Å; L29-E33 HydrophobicContact CD2-CB 3.76Å; S30-E33 WeakPolarHBondContact CB-OE2 3.5Å; S30-E33 PolarHBondContact N-OE2 2.86Å; S30-E33 PolarHBondContact O-N 2.9Å; S30-E33 WeakPolarHBondContact OG-CG 3.4Å; S30-E33 PolarHBondContact OG-N 3.16Å; S30-E33 PolarHBondContact OG-OE2 2.83Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 3.45Å; E33-N36 PolarHBondContact O-N 3.16Å; E33-L37 WeakPolarHBondContact O-CB 3.3Å; E33-L37 PolarHBondContact O-N 2.94Å
34L88.8Confident85.4Confident0 Ų062.3 Ų62.30%034%0.34CS..Hα-helixtrans-58.5-46.2173.2-179.267.2000110.5L29 S30 N36 L37 L38 M59 L62 V70L29-L34 HydrophobicContact CB-CB 4.36Å; L29-L34 HydrophobicContact CD1-CD1 4.25Å; S30-L34 PolarHBondContact O-N 3.01Å; L34-N36 VanDerWaalsContact C-N 3.3Å; L34-N36 PolarHBondContact O-N 3.22Å; L34-L37 WeakPolarHBondContact O-CB 3.42Å; L34-L37 PolarHBondContact O-N 3.42Å; L34-L38 HydrophobicContact CD1-CG 4.29Å; L34-L38 HydrophobicContact CG-CD1 4.17Å; L34-L38 HydrophobicContact CG-CG 4.34Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 3.47Å; L34-M59 HydrophobicContact CB-SD 4.35Å; L34-M59 HydrophobicContact CD2-CB 4.02Å; L34-M59 HydrophobicContact CD2-CG 4.35Å; L34-M59 HydrophobicContact CD2-SD 3.39Å; L34-M59 WeakPolarHBondContact CD2-SD 3.36Å; L34-M59 HydrophobicContact CG-SD 4.5Å; L34-L62 HydrophobicContact CD1-CD1 4.45Å; L34-L62 HydrophobicContact CD2-CD1 4.29Å; L34-V70 HydrophobicContact CD2-CG2 4.12Å
35K86.4Confident85.6Confident97 Ų9762.2 Ų62.242%0.42232%0.316SS..Hα-helixtrans-56.4-45.9176.1-177.7175.6177.4179.90111.7K31 V32 E33 L38 Q39 V55K31-K35 WeakPolarHBondContact O-CB 3.31Å; K31-K35 PolarHBondContact O-N 2.94Å; K31-K35 VanDerWaalsContact O-N 3.16Å; V32-K35 WeakPolarHBondContact O-CB 3.4Å; V32-K35 PolarHBondContact O-N 3.43Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 3.45Å; K35-L38 PolarHBondContact O-N 3.46Å; K35-Q39 WeakPolarHBondContact O-CB 3.11Å; K35-Q39 VanDerWaalsContact O-CG 3.3Å; K35-Q39 WeakPolarHBondContact O-CG 3.48Å; K35-Q39 PolarHBondContact O-N 2.9Å; K35-V55 HydrophobicContact CB-CG1 3.83Å; K35-V55 HydrophobicContact CG-CG1 4.05Å; K35-V55 HydrophobicContact CG-CG2 4.4Å
36N89.5Confident85.4Confident66 Ų6660.1 Ų60.135%0.35331%0.305SS..Hα-helixtrans-64.9-39.4178.9-69.8-29.5000112Y19 V32 E33 L34 Q39 G40Y19-N36 HydrophobicContact CD1-CB 4.15Å; Y19-N36 HydrophobicContact CE1-CB 4.37Å; V32-N36 VanDerWaalsContact O-CG 3.31Å; V32-N36 PolarHBondContact O-N 3.34Å; V32-N36 PolarHBondContact O-ND2 3.12Å; E33-N36 PolarHBondContact O-N 3.16Å; L34-N36 VanDerWaalsContact C-N 3.3Å; L34-N36 PolarHBondContact O-N 3.22Å; N36-Q39 PolarHBondContact O-N 3.42Å; N36-G40 PolarHBondContact O-N 3Å
37L91.1Very high84.9Confident3 Ų358.2 Ų58.22%0.01631%0.31CS..Hα-helixtrans-61.2-51.3175.3-174.2159.4000110.6V15 Y19 L29 E33 L34 Q39 G40 E41 F75V15-L37 HydrophobicContact CG1-CD1 4.12Å; V15-L37 HydrophobicContact CG1-CG 4.28Å; Y19-L37 HydrophobicContact CD1-CB 3.94Å; Y19-L37 HydrophobicContact CD2-CB 3.84Å; Y19-L37 HydrophobicContact CD2-CD1 3.79Å; Y19-L37 HydrophobicContact CD2-CG 3.68Å; Y19-L37 HydrophobicContact CE1-CB 4.33Å; Y19-L37 HydrophobicContact CE2-CB 4.28Å; Y19-L37 HydrophobicContact CE2-CG 4.03Å; Y19-L37 HydrophobicContact CG-CB 3.71Å; Y19-L37 HydrophobicContact CG-CD1 4.16Å; Y19-L37 HydrophobicContact CG-CG 4.07Å; L29-L37 HydrophobicContact CD1-CD1 3.82Å; L29-L37 HydrophobicContact CD2-CD1 4.46Å; E33-L37 WeakPolarHBondContact O-CB 3.3Å; E33-L37 PolarHBondContact O-N 2.94Å; L34-L37 WeakPolarHBondContact O-CB 3.42Å; L34-L37 PolarHBondContact O-N 3.42Å; L37-Q39 VanDerWaalsContact C-N 3.28Å; L37-Q39 PolarHBondContact O-N 2.9Å; L37-G40 PolarHBondContact O-N 3.14Å; L37-E41 HydrophobicContact CG-CG 4.42Å; L37-E41 WeakPolarHBondContact O-CB 3.48Å; L37-E41 PolarHBondContact O-N 3.02Å; L37-F75 HydrophobicContact CD1-CD2 4.28Å; L37-F75 HydrophobicContact CD1-CE2 3.7Å; L37-F75 HydrophobicContact CD1-CZ 4.29Å; L37-F75 HydrophobicContact CD2-CE2 3.91Å; L37-F75 HydrophobicContact CG-CE2 4.5Å
38L85.9Confident84.1Confident2 Ų256 Ų561%0.0132%0.319CS..Hα-helixtrans-61.6-38.2179.7-62.9177.5000111.3L34 K35 L42 S43 L46 V55 I58 L78L34-L38 HydrophobicContact CD1-CG 4.29Å; L34-L38 HydrophobicContact CG-CD1 4.17Å; L34-L38 HydrophobicContact CG-CG 4.34Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 3.47Å; K35-L38 PolarHBondContact O-N 3.46Å; L38-L42 HydrophobicContact CD2-CD1 3.72Å; L38-L42 CarbonylContact O-C 3.53Å; L38-L42 WeakPolarHBondContact O-CA 3.46Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 PolarHBondContact O-N 3.28Å; L38-S43 PolarHBondContact O-N 2.97Å; L38-L46 VanDerWaalsContact C-CD1 3.43Å; L38-L46 HydrophobicContact CB-CD1 3.7Å; L38-L46 HydrophobicContact CB-CD2 4.28Å; L38-L46 HydrophobicContact CB-CG 4.16Å; L38-L46 WeakPolarHBondContact O-CD1 3.37Å; L38-V55 HydrophobicContact CD1-CG1 4.29Å; L38-V55 HydrophobicContact CD1-CG2 4.36Å; L38-I58 HydrophobicContact CD1-CB 4.4Å; L38-I58 HydrophobicContact CD1-CD1 4Å; L38-I58 HydrophobicContact CD1-CG2 4.01Å; L38-L78 HydrophobicContact CD2-CD2 4.07Å
39Q84.9Confident83Confident100 Ų10055.7 Ų55.747%0.46732%0.323SS..Hα-helixtrans-72.6-30.9176.9-73.3-177.5-24.200113.7K35 N36 L37 S43 L46K35-Q39 WeakPolarHBondContact O-CB 3.11Å; K35-Q39 VanDerWaalsContact O-CG 3.3Å; K35-Q39 WeakPolarHBondContact O-CG 3.48Å; K35-Q39 PolarHBondContact O-N 2.9Å; N36-Q39 PolarHBondContact O-N 3.42Å; L37-Q39 VanDerWaalsContact C-N 3.28Å; L37-Q39 PolarHBondContact O-N 2.9Å; Q39-S43 WeakPolarHBondContact O-CB 3.42Å; Q39-L46 HydrophobicContact CB-CD1 4.35Å; Q39-L46 HydrophobicContact CG-CD1 3.64Å
40G87.4Confident81.9Confident45 Ų4565.5 Ų65.546%0.46437%0.366SS..Hα-helixtrans-81.2-52179.600000112.6N36 L37N36-G40 PolarHBondContact O-N 3Å; L37-G40 PolarHBondContact O-N 3.14Å
41E88.3Confident81.2Confident99 Ų9966.7 Ų66.746%0.46337%0.37SS..Hα-helixtrans-93.4-26.5-171.1-53.6-59.9150.500113V15 Y19 L37V15-E41 HydrophobicContact CG1-CG 3.83Å; Y19-E41 HydrophobicContact CE2-CG 3.84Å; Y19-E41 WeakPolarHBondContact CE2-OE1 3.33Å; Y19-E41 PolarHBondContact OH-OE1 3.12Å; L37-E41 HydrophobicContact CG-CG 4.42Å; L37-E41 WeakPolarHBondContact O-CB 3.48Å; L37-E41 PolarHBondContact O-N 3.02Å
42L83.5Confident80.8Confident52 Ų5268 Ų6827%0.27239%0.388SS..SBendtrans-126.830.9-171.7-63.6173.3000112.1L38 D44 F45 L46 L82L38-L42 HydrophobicContact CD2-CD1 3.72Å; L38-L42 CarbonylContact O-C 3.53Å; L38-L42 WeakPolarHBondContact O-CA 3.46Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 PolarHBondContact O-N 3.28Å; L42-D44 VanDerWaalsContact C-N 3.3Å; L42-D44 PolarHBondContact O-N 2.84Å; L42-F45 HydrophobicContact CB-CB 4.2Å; L42-F45 WeakPolarHBondContact O-CB 3.33Å; L42-F45 PolarHBondContact O-N 2.89Å; L42-F45 VanDerWaalsContact O-N 3.08Å; L42-L46 PolarHBondContact O-N 3.44Å; L42-L82 HydrophobicContact CD1-CD1 3.71Å
43S80.4Confident80.4Confident58 Ų5869 Ų6941%0.40639%0.389SS..Hα-helixtrans-54.4-42.7-178.745.50000113.2L38 Q39 L46 A47L38-S43 PolarHBondContact O-N 2.97Å; Q39-S43 WeakPolarHBondContact O-CB 3.42Å; S43-L46 PolarHBondContact O-N 3.42Å; S43-A47 VanDerWaalsContact O-CB 3.28Å; S43-A47 WeakPolarHBondContact O-CB 3.37Å; S43-A47 PolarHBondContact O-N 3.35Å
44D77.1Confident80.1Confident139 Ų13969.9 Ų69.974%0.74340%0.395SS*.Hα-helixtrans-66.2-37.7178.1-67.8-31.9000112.2L42 A47 A48L42-D44 VanDerWaalsContact C-N 3.3Å; L42-D44 PolarHBondContact O-N 2.84Å; D44-A47 PolarHBondContact O-N 2.78Å; D44-A48 PolarHBondContact O-N 2.83Å
45F73.7Confident79.7Confident82 Ų8270.6 Ų70.636%0.3640%0.399SS..Hα-helixtrans-66.2-43.5175.6-174.5-93000111.1L42 A47 A48 S49 L82L42-F45 HydrophobicContact CB-CB 4.2Å; L42-F45 WeakPolarHBondContact O-CB 3.33Å; L42-F45 PolarHBondContact O-N 2.89Å; L42-F45 VanDerWaalsContact O-N 3.08Å; F45-A47 VanDerWaalsContact C-N 3.35Å; F45-A48 PolarHBondContact O-N 2.63Å; F45-S49 PolarHBondContact O-N 3.29Å; F45-L82 HydrophobicContact CD1-CD2 4.26Å; F45-L82 HydrophobicContact CD2-CD2 4.21Å; F45-L82 HydrophobicContact CE1-CD2 3.57Å; F45-L82 HydrophobicContact CE2-CD2 3.52Å; F45-L82 HydrophobicContact CZ-CD2 3.16Å
46L74.3Confident79.7Confident21 Ų2169.6 Ų69.611%0.1140%0.396CS..Hα-helixtrans-64.7-38.3173.1-73.2-177000112.1L38 Q39 L42 S43 A48 S49 V54 V55 I58L38-L46 VanDerWaalsContact C-CD1 3.43Å; L38-L46 HydrophobicContact CB-CD1 3.7Å; L38-L46 HydrophobicContact CB-CD2 4.28Å; L38-L46 HydrophobicContact CB-CG 4.16Å; L38-L46 WeakPolarHBondContact O-CD1 3.37Å; Q39-L46 HydrophobicContact CB-CD1 4.35Å; Q39-L46 HydrophobicContact CG-CD1 3.64Å; L42-L46 PolarHBondContact O-N 3.44Å; S43-L46 PolarHBondContact O-N 3.42Å; L46-A48 VanDerWaalsContact C-N 3.31Å; L46-A48 PolarHBondContact O-N 3.22Å; L46-S49 CarbonylContact O-C 3.52Å; L46-S49 WeakPolarHBondContact O-CA 3.38Å; L46-S49 WeakPolarHBondContact O-CB 3.37Å; L46-S49 PolarHBondContact O-N 2.79Å; L46-V54 HydrophobicContact CD2-CG1 3.7Å; L46-V55 HydrophobicContact CD2-CG2 4.11Å; L46-I58 HydrophobicContact CD2-CD1 4.48Å
47A71.9Confident79.4Confident74 Ų7471.8 Ų71.861%0.61240%0.402SS*.Hα-helixtrans-67.3-31.7179.700000112.6S43 D44 F45 S49S43-A47 VanDerWaalsContact O-CB 3.28Å; S43-A47 WeakPolarHBondContact O-CB 3.37Å; S43-A47 PolarHBondContact O-N 3.35Å; D44-A47 PolarHBondContact O-N 2.78Å; F45-A47 VanDerWaalsContact C-N 3.35Å; A47-S49 PolarHBondContact O-N 3.37Å
48A70.1Confident79.1Confident85 Ų8572.6 Ų72.670%0.70241%0.406SS*.Hα-helixtrans-63.1-32.1170.700000111.7D44 F45 L46 K50D44-A48 PolarHBondContact O-N 2.83Å; F45-A48 PolarHBondContact O-N 2.63Å; L46-A48 VanDerWaalsContact C-N 3.31Å; L46-A48 PolarHBondContact O-N 3.22Å; A48-K50 PolarHBondContact O-N 3.31Å
49S65.9Low79.1Confident41 Ų4173 Ų7329%0.28741%0.408SS..  trans-86.2101.3175.1-164.20000111.2F45 L46 A47 D51 V54F45-S49 PolarHBondContact O-N 3.29Å; L46-S49 CarbonylContact O-C 3.52Å; L46-S49 WeakPolarHBondContact O-CA 3.38Å; L46-S49 WeakPolarHBondContact O-CB 3.37Å; L46-S49 PolarHBondContact O-N 2.79Å; A47-S49 PolarHBondContact O-N 3.37Å; S49-D51 PolarHBondContact O-N 3.02Å; S49-V54 WeakPolarHBondContact OG-CB 3.23Å; S49-V54 VanDerWaalsContact OG-CG2 3.27Å; S49-V54 WeakPolarHBondContact OG-CG2 2.99Å
50K67.8Low79.1Confident205 Ų20572.4 Ų72.489%0.89142%0.415SS*.  trans-70.17.1174.6-63.9-177.8-178.8176.70113.8A48 P52A48-K50 PolarHBondContact O-N 3.31Å; K50-P52 WeakPolarHBondContact O-CD 3.38Å
51D75.7Confident78.9Confident51 Ų5176.3 Ų76.327%0.27343%0.426SS..  trans-91.7114.3-176-172.4-10.2000110.6S49 M53 V54 K57S49-D51 PolarHBondContact O-N 3.02Å; D51-M53 PolarHBondContact O-N 3.3Å; D51-M53 VanDerWaalsContact O-N 3.14Å; D51-M53 WeakPolarHBondContact OD1-CB 3.49Å; D51-M53 PolarHBondContact OD1-N 2.8Å; D51-V54 HydrophobicContact CB-CB 4.33Å; D51-V54 WeakPolarHBondContact O-CB 3.09Å; D51-V54 VanDerWaalsContact O-CG1 3.26Å; D51-V54 WeakPolarHBondContact O-CG1 3.28Å; D51-V54 PolarHBondContact O-N 3.36Å; D51-K57 IonicContact OD2-NZ 2.71Å; D51-K57 PolarHBondContact OD2-NZ 3.04Å
52P75.3Confident78.7Confident123 Ų12372.2 Ų72.280%0.79941%0.407SS*.THydrogen-bonded Turntrans-63.4-18.1177.427.4-34.9000113.3K50K50-P52 WeakPolarHBondContact O-CD 3.38Å
53M80.9Confident78.9Confident102 Ų10270.7 Ų70.750%0.50240%0.399SS..THydrogen-bonded Turntrans-93.63.5177.4-59.2-172.273.300113.2D51 V55 E56 K57D51-M53 PolarHBondContact O-N 3.3Å; D51-M53 VanDerWaalsContact O-N 3.14Å; D51-M53 WeakPolarHBondContact OD1-CB 3.49Å; D51-M53 PolarHBondContact OD1-N 2.8Å; M53-V55 PolarHBondContact O-N 2.93Å; M53-E56 WeakPolarHBondContact CE-OE2 3.26Å; M53-E56 PolarHBondContact O-N 3.45Å; M53-K57 PolarHBondContact O-N 3.06Å
54V82.4Confident79.1Confident22 Ų2274.8 Ų74.813%0.13341%0.411CS..Hα-helixtrans-55.8-40-176.969.10000112.3L46 S49 D51 E56 K57 I58L46-V54 HydrophobicContact CD2-CG1 3.7Å; S49-V54 WeakPolarHBondContact OG-CB 3.23Å; S49-V54 VanDerWaalsContact OG-CG2 3.27Å; S49-V54 WeakPolarHBondContact OG-CG2 2.99Å; D51-V54 HydrophobicContact CB-CB 4.33Å; D51-V54 WeakPolarHBondContact O-CB 3.09Å; D51-V54 VanDerWaalsContact O-CG1 3.26Å; D51-V54 WeakPolarHBondContact O-CG1 3.28Å; D51-V54 PolarHBondContact O-N 3.36Å; V54-E56 VanDerWaalsContact C-N 3.3Å; V54-E56 PolarHBondContact O-N 3.08Å; V54-K57 PolarHBondContact O-N 3.14Å; V54-I58 HydrophobicContact CG2-CD1 3.88Å; V54-I58 HydrophobicContact CG2-CG1 4.38Å; V54-I58 WeakPolarHBondContact O-CB 3.42Å; V54-I58 VanDerWaalsContact O-CG1 3.24Å; V54-I58 WeakPolarHBondContact O-CG1 3.46Å; V54-I58 PolarHBondContact O-N 2.97Å
55V82.2Confident79.5Confident15 Ų1572.1 Ų72.19%0.09140%0.397CS..Hα-helixtrans-65.8-35.9179.2177.10000111.3K35 L38 L46 M53 M59K35-V55 HydrophobicContact CB-CG1 3.83Å; K35-V55 HydrophobicContact CG-CG1 4.05Å; K35-V55 HydrophobicContact CG-CG2 4.4Å; L38-V55 HydrophobicContact CD1-CG1 4.29Å; L38-V55 HydrophobicContact CD1-CG2 4.36Å; L46-V55 HydrophobicContact CD2-CG2 4.11Å; M53-V55 PolarHBondContact O-N 2.93Å; V55-M59 WeakPolarHBondContact O-CB 3.45Å; V55-M59 PolarHBondContact O-N 3.22Å
56E84.7Confident80.1Confident76 Ų7676.8 Ų76.836%0.35542%0.417SS..Hα-helixtrans-75-35.2-179.3-53.2-172.9121.900111.6K31 M53 V54 S60K31-E56 IonicContact NZ-OE1 2.75Å; K31-E56 PolarHBondContact NZ-OE1 2.88Å; M53-E56 WeakPolarHBondContact CE-OE2 3.26Å; M53-E56 PolarHBondContact O-N 3.45Å; V54-E56 VanDerWaalsContact C-N 3.3Å; V54-E56 PolarHBondContact O-N 3.08Å; E56-S60 WeakPolarHBondContact O-CB 3.33Å; E56-S60 PolarHBondContact O-N 3.21Å; E56-S60 PolarHBondContact O-OG 2.75Å
57K84.3Confident80.7Confident112 Ų11279 Ų7949%0.48743%0.429SS..Hα-helixtrans-64.1-51.2169.9-71.9176.8178.5168.10110.9D51 M53 V54 M59 S60 D61D51-K57 IonicContact OD2-NZ 2.71Å; D51-K57 PolarHBondContact OD2-NZ 3.04Å; M53-K57 PolarHBondContact O-N 3.06Å; V54-K57 PolarHBondContact O-N 3.14Å; K57-M59 VanDerWaalsContact C-N 3.31Å; K57-M59 PolarHBondContact O-N 3.41Å; K57-S60 CarbonylContact O-C 3.43Å; K57-S60 PolarHBondContact O-N 3.35Å; K57-D61 WeakPolarHBondContact O-CB 3.42Å; K57-D61 VanDerWaalsContact O-CG 3.23Å; K57-D61 PolarHBondContact O-N 2.76Å
58I84.4Confident81.3Confident20 Ų2077.2 Ų77.210%0.10342%0.419CS..Hα-helixtrans-56-47.7176.3-69.3167.4000110.3L38 L46 V54 S60 D61 L62 L78L38-I58 HydrophobicContact CD1-CB 4.4Å; L38-I58 HydrophobicContact CD1-CD1 4Å; L38-I58 HydrophobicContact CD1-CG2 4.01Å; L46-I58 HydrophobicContact CD2-CD1 4.48Å; V54-I58 HydrophobicContact CG2-CD1 3.88Å; V54-I58 HydrophobicContact CG2-CG1 4.38Å; V54-I58 WeakPolarHBondContact O-CB 3.42Å; V54-I58 VanDerWaalsContact O-CG1 3.24Å; V54-I58 WeakPolarHBondContact O-CG1 3.46Å; V54-I58 PolarHBondContact O-N 2.97Å; I58-S60 VanDerWaalsContact C-N 3.31Å; I58-S60 PolarHBondContact O-N 3.41Å; I58-D61 PolarHBondContact O-N 3.49Å; I58-L62 HydrophobicContact CG2-CD1 3.61Å; I58-L62 HydrophobicContact CG2-CG 4.23Å; I58-L62 WeakPolarHBondContact O-CB 3.48Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 3.18Å; I58-L78 HydrophobicContact CG2-CD1 3.98Å; I58-L78 HydrophobicContact CG2-CD2 4.2Å
59M85.1Confident82.2Confident10 Ų1076 Ų765%0.04940%0.398CS..Hα-helixtrans-56.1-47.3175.7-175.579.4-165.700111.6K31 L34 V55 K57 D61 L62 D63 G68 V70K31-M59 HydrophobicContact CB-CE 4.45Å; K31-M59 HydrophobicContact CB-SD 4.23Å; K31-M59 HydrophobicContact CG-CG 4.45Å; K31-M59 HydrophobicContact CG-SD 4.47Å; L34-M59 HydrophobicContact CB-SD 4.35Å; L34-M59 HydrophobicContact CD2-CB 4.02Å; L34-M59 HydrophobicContact CD2-CG 4.35Å; L34-M59 HydrophobicContact CD2-SD 3.39Å; L34-M59 WeakPolarHBondContact CD2-SD 3.36Å; L34-M59 HydrophobicContact CG-SD 4.5Å; V55-M59 WeakPolarHBondContact O-CB 3.45Å; V55-M59 PolarHBondContact O-N 3.22Å; K57-M59 VanDerWaalsContact C-N 3.31Å; K57-M59 PolarHBondContact O-N 3.41Å; M59-D61 VanDerWaalsContact C-N 3.29Å; M59-D61 PolarHBondContact O-N 2.87Å; M59-L62 PolarHBondContact O-N 3.24Å; M59-D63 HydrophobicContact CE-CB 4.48Å; M59-D63 WeakPolarHBondContact O-CB 3.33Å; M59-D63 PolarHBondContact O-N 3.01Å; M59-G68 WeakPolarHBondContact CE-O 3.3Å; M59-V70 HydrophobicContact CE-CG2 3.75Å; M59-V70 HydrophobicContact SD-CG2 3.74Å
60S85.4Confident83.4Confident88 Ų8874 Ų7462%0.61538%0.384SS*.Hα-helixtrans-68.2-29.2-177.9-58.80000113E56 K57 I58E56-S60 WeakPolarHBondContact O-CB 3.33Å; E56-S60 PolarHBondContact O-N 3.21Å; E56-S60 PolarHBondContact O-OG 2.75Å; K57-S60 CarbonylContact O-C 3.43Å; K57-S60 PolarHBondContact O-N 3.35Å; I58-S60 VanDerWaalsContact C-N 3.31Å; I58-S60 PolarHBondContact O-N 3.41Å
61D83.6Confident84.6Confident128 Ų12866.5 Ų66.568%0.68435%0.354SS*.Hα-helixtrans-78.6-24.2176.5-67.1-21.2000111.8K57 I58 M59K57-D61 WeakPolarHBondContact O-CB 3.42Å; K57-D61 VanDerWaalsContact O-CG 3.23Å; K57-D61 PolarHBondContact O-N 2.76Å; I58-D61 PolarHBondContact O-N 3.49Å; M59-D61 VanDerWaalsContact C-N 3.29Å; M59-D61 PolarHBondContact O-N 2.87Å
62L84.8Confident85.3Confident12 Ų1267.6 Ų67.66%0.06336%0.356CS..Hα-helixtrans-93.5-35.3179.9-66.2175.9000114.4L34 I58 M59 E64 V70 E74 L78L34-L62 HydrophobicContact CD1-CD1 4.45Å; L34-L62 HydrophobicContact CD2-CD1 4.29Å; I58-L62 HydrophobicContact CG2-CD1 3.61Å; I58-L62 HydrophobicContact CG2-CG 4.23Å; I58-L62 WeakPolarHBondContact O-CB 3.48Å; I58-L62 WeakPolarHBondContact O-CG 3.31Å; I58-L62 PolarHBondContact O-N 3.18Å; M59-L62 PolarHBondContact O-N 3.24Å; L62-E64 PolarHBondContact O-N 3.22Å; L62-V70 HydrophobicContact CB-CG1 4.43Å; L62-V70 HydrophobicContact CB-CG2 4Å; L62-E74 WeakPolarHBondContact O-CB 3.27Å; L62-E74 VanDerWaalsContact O-CD 3.26Å; L62-E74 VanDerWaalsContact O-CG 3.24Å; L62-E74 WeakPolarHBondContact O-CG 3.48Å; L62-L78 HydrophobicContact CD1-CB 3.9Å; L62-L78 HydrophobicContact CD1-CD1 3.93Å; L62-L78 HydrophobicContact CD1-CD2 3.62Å; L62-L78 HydrophobicContact CD1-CG 3.96Å; L62-L78 HydrophobicContact CD2-CB 3.44Å; L62-L78 VanDerWaalsContact CD2-CB 3.44Å; L62-L78 HydrophobicContact CD2-CD1 3.8Å; L62-L78 HydrophobicContact CD2-CG 4.08Å; L62-L78 HydrophobicContact CG-CB 4.26Å; L62-L78 HydrophobicContact CG-CD1 4.16Å
63D86.8Confident86Confident20 Ų2068 Ų6811%0.10735%0.348CS..  trans-74.168.8177.5-178.415.8000109.7M59 N65 K66 D67 G68M59-D63 HydrophobicContact CE-CB 4.48Å; M59-D63 WeakPolarHBondContact O-CB 3.33Å; M59-D63 PolarHBondContact O-N 3.01Å; D63-N65 VanDerWaalsContact C-N 3.25Å; D63-N65 PolarHBondContact O-N 3.43Å; D63-N65 PolarHBondContact OD1-OD1 3.42Å; D63-K66 VanDerWaalsContact CG-CA 3.47Å; D63-K66 PolarHBondContact O-N 3.33Å; D63-K66 WeakPolarHBondContact OD1-CA 3.18Å; D63-K66 PolarHBondContact OD1-N 2.91Å; D63-K66 WeakPolarHBondContact OD2-CA 3.45Å; D63-D67 PolarHBondContact OD1-N 3.03Å; D63-G68 PolarHBondContact OD1-N 3.21Å; D63-G68 VanDerWaalsContact OD2-CA 3.23Å; D63-G68 WeakPolarHBondContact OD2-CA 3.33Å; D63-G68 PolarHBondContact OD2-N 2.79Å
64E84.3Confident86.5Confident144 Ų14463.5 Ų63.567%0.67333%0.325SS*.SBendtrans-63.1-37.7-178.4-81.1-159.2103.200110.8L62 K66 E74L62-E64 PolarHBondContact O-N 3.22Å; E64-K66 VanDerWaalsContact C-N 3.3Å; E64-E74 PolarHBondContact N-OE1 3.11Å
65N86.4Confident86.8Confident83 Ų8362.6 Ų62.644%0.44432%0.32SS..SBendtrans-79.8-13.6-178.575.338.3000112.9D63 D67 E74D63-N65 VanDerWaalsContact C-N 3.25Å; D63-N65 PolarHBondContact O-N 3.43Å; D63-N65 PolarHBondContact OD1-OD1 3.42Å; N65-D67 PolarHBondContact ND2-OD2 2.85Å; N65-D67 WeakPolarHBondContact OD1-CB 3.21Å; N65-D67 PolarHBondContact OD1-N 2.84Å; N65-D67 PolarHBondContact OD1-OD1 2.91Å; N65-D67 PolarHBondContact OD1-OD2 3.25Å; N65-E74 PolarHBondContact ND2-OE1 3.39Å
66K85.5Confident87.2Confident180 Ų18064.3 Ų64.378%0.78333%0.33SS*.  trans62.535.3178.5-56.8-177.1-178.3-178.60113.9D63 E64 G68D63-K66 VanDerWaalsContact CG-CA 3.47Å; D63-K66 PolarHBondContact O-N 3.33Å; D63-K66 WeakPolarHBondContact OD1-CA 3.18Å; D63-K66 PolarHBondContact OD1-N 2.91Å; D63-K66 WeakPolarHBondContact OD2-CA 3.45Å; E64-K66 VanDerWaalsContact C-N 3.3Å; K66-G68 VanDerWaalsContact C-N 3.35Å
67D86.5Confident87.4Confident67 Ų6764.7 Ų64.736%0.35833%0.334SS..SBendtrans-87.8-6.6175.774.511000113K28 D63 N65 E69K28-D67 IonicContact NZ-OD2 2.63Å; K28-D67 PolarHBondContact NZ-OD2 2.84Å; D63-D67 PolarHBondContact OD1-N 3.03Å; N65-D67 PolarHBondContact ND2-OD2 2.85Å; N65-D67 WeakPolarHBondContact OD1-CB 3.21Å; N65-D67 PolarHBondContact OD1-N 2.84Å; N65-D67 PolarHBondContact OD1-OD1 2.91Å; N65-D67 PolarHBondContact OD1-OD2 3.25Å; D67-E69 VanDerWaalsContact C-N 3.3Å; D67-E69 WeakPolarHBondContact OD1-CA 3.43Å; D67-E69 WeakPolarHBondContact OD1-CB 3.35Å; D67-E69 PolarHBondContact OD1-N 3.27Å
68G85.6Confident87.3Confident38 Ų3860.2 Ų60.239%0.39232%0.315SS..SBendtrans81.210.2179.100000113.8M59 D63 K66M59-G68 WeakPolarHBondContact CE-O 3.3Å; D63-G68 PolarHBondContact OD1-N 3.21Å; D63-G68 VanDerWaalsContact OD2-CA 3.23Å; D63-G68 WeakPolarHBondContact OD2-CA 3.33Å; D63-G68 PolarHBondContact OD2-N 2.79Å; K66-G68 VanDerWaalsContact C-N 3.35Å
69E89.4Confident87.4Confident58 Ų5860.7 Ų60.727%0.27132%0.319SS..EExtended strand (participates in β ladder)trans-126.8166.3175.7-55.4-177.8129.600109.3K28 L29 D67K28-E69 HydrophobicContact CB-CB 4.07Å; K28-E69 HydrophobicContact CD-CB 3.88Å; K28-E69 HydrophobicContact CD-CG 4.46Å; K28-E69 WeakPolarHBondContact CD-OE2 3.24Å; K28-E69 IonicContact NZ-OE2 3.03Å; K28-E69 PolarHBondContact NZ-OE2 3.44Å; L29-E69 CarbonylContact O-C 2.97Å; L29-E69 WeakPolarHBondContact O-CA 3.21Å; D67-E69 VanDerWaalsContact C-N 3.3Å; D67-E69 WeakPolarHBondContact OD1-CA 3.43Å; D67-E69 WeakPolarHBondContact OD1-CB 3.35Å; D67-E69 PolarHBondContact OD1-N 3.27Å
70V90.8Very high87.5Confident0 Ų062.6 Ų62.60%034%0.336CS..EExtended strand (participates in β ladder)trans-122.8115.9176.1173.40000108.9K28 L29 L34 M59 L62 E74 F75K28-V70 CarbonylContact C-O 3.59Å; K28-V70 WeakPolarHBondContact CA-O 3.36Å; L29-V70 HydrophobicContact CB-CB 4.29Å; L29-V70 PolarHBondContact N-O 3.4Å; L29-V70 PolarHBondContact O-N 3.41Å; L34-V70 HydrophobicContact CD2-CG2 4.12Å; M59-V70 HydrophobicContact CE-CG2 3.75Å; M59-V70 HydrophobicContact SD-CG2 3.74Å; L62-V70 HydrophobicContact CB-CG1 4.43Å; L62-V70 HydrophobicContact CB-CG2 4Å; V70-E74 WeakPolarHBondContact CA-OE2 3.42Å; V70-E74 HydrophobicContact CG1-CB 3.76Å; V70-F75 HydrophobicContact CG1-CB 4.22Å
71D91.8Very high87.4Confident47 Ų4761.1 Ų61.125%0.25133%0.329SS..EExtended strand (participates in β ladder)trans-79174.7175.777.930.2000112.5K28 Q73 E74 F75K28-D71 HydrophobicContact CG-CB 4.23Å; D71-Q73 VanDerWaalsContact C-N 3.27Å; D71-Q73 PolarHBondContact O-N 3.43Å; D71-Q73 WeakPolarHBondContact OD1-CA 3.25Å; D71-Q73 VanDerWaalsContact OD1-CB 3.25Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.34Å; D71-Q73 PolarHBondContact OD1-N 3Å; D71-E74 PolarHBondContact N-OE2 3Å; D71-E74 PolarHBondContact O-N 3.44Å; D71-E74 PolarHBondContact OD1-N 2.71Å; D71-F75 WeakPolarHBondContact O-CB 3.05Å; D71-F75 PolarHBondContact O-N 2.86Å
72F90.7Very high87.2Confident74 Ų7456.2 Ų56.233%0.32530%0.303SS..Hα-helixtrans-63.6-32.8-178.4-175.3-106.3000113I13 F16 F75 V76I13-F72 HydrophobicContact CG1-CE1 4.43Å; I13-F72 HydrophobicContact CG1-CE2 4.09Å; I13-F72 HydrophobicContact CG1-CZ 3.61Å; F16-F72 HydrophobicContact CB-CD2 3.91Å; F16-F72 HydrophobicContact CB-CE2 4.02Å; F16-F72 HydrophobicContact CD1-CB 4.43Å; F16-F72 AromaticContact CD1-CD2 3.73Å; F16-F72 HydrophobicContact CD1-CD2 3.73Å; F16-F72 AromaticContact CD2-CD2 3.95Å; F16-F72 HydrophobicContact CD2-CD2 3.95Å; F16-F72 HydrophobicContact CE1-CB 4.05Å; F16-F72 HydrophobicContact CE1-CD2 4.2Å; F16-F72 HydrophobicContact CE2-CB 4.36Å; F16-F72 HydrophobicContact CE2-CD2 4.39Å; F16-F72 AromaticContact CG-CD2 3.59Å; F16-F72 HydrophobicContact CG-CD2 3.59Å; F16-F72 HydrophobicContact CG-CE2 4.22Å; F16-F72 HydrophobicContact CZ-CB 4.01Å; F72-F75 HydrophobicContact CD2-CD1 4.23Å; F72-F75 HydrophobicContact CE2-CD1 4.19Å; F72-V76 HydrophobicContact CD1-CG2 4.15Å; F72-V76 HydrophobicContact CD2-CG2 4.49Å; F72-V76 HydrophobicContact CE1-CG2 3.67Å; F72-V76 HydrophobicContact CE2-CG2 4.05Å; F72-V76 HydrophobicContact CZ-CG2 3.61Å; F72-V76 VanDerWaalsContact O-CG2 3.3Å; F72-V76 WeakPolarHBondContact O-CG2 3.41Å; F72-V76 PolarHBondContact O-N 3.04Å
73Q90.9Very high87.1Confident131 Ų13159.7 Ų59.761%0.61233%0.325SS*.Hα-helixtrans-68.6-48.4179-174.6-176.4-67.300110.1D71 F75 V76 I77D71-Q73 VanDerWaalsContact C-N 3.27Å; D71-Q73 PolarHBondContact O-N 3.43Å; D71-Q73 WeakPolarHBondContact OD1-CA 3.25Å; D71-Q73 VanDerWaalsContact OD1-CB 3.25Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.34Å; D71-Q73 PolarHBondContact OD1-N 3Å; Q73-F75 VanDerWaalsContact C-N 3.3Å; Q73-F75 PolarHBondContact O-N 3.47Å; Q73-V76 PolarHBondContact O-N 3.38Å; Q73-I77 HydrophobicContact CG-CD1 4.26Å; Q73-I77 WeakPolarHBondContact O-CG1 3.49Å; Q73-I77 PolarHBondContact O-N 2.99Å
74E90.8Very high86.8Confident8 Ų862.6 Ų62.64%0.03734%0.343CS..Hα-helixtrans-58.9-42.1176.3-68.7167.9152.100110.8L62 E64 N65 V70 D71 V76 I77 L78L62-E74 WeakPolarHBondContact O-CB 3.27Å; L62-E74 VanDerWaalsContact O-CD 3.26Å; L62-E74 VanDerWaalsContact O-CG 3.24Å; L62-E74 WeakPolarHBondContact O-CG 3.48Å; E64-E74 PolarHBondContact N-OE1 3.11Å; N65-E74 PolarHBondContact ND2-OE1 3.39Å; V70-E74 WeakPolarHBondContact CA-OE2 3.42Å; V70-E74 HydrophobicContact CG1-CB 3.76Å; D71-E74 PolarHBondContact N-OE2 3Å; D71-E74 PolarHBondContact O-N 3.44Å; D71-E74 PolarHBondContact OD1-N 2.71Å; E74-V76 PolarHBondContact O-N 2.66Å; E74-I77 PolarHBondContact O-N 3.26Å; E74-L78 PolarHBondContact O-N 2.82Å; E74-L78 VanDerWaalsContact O-N 3.11Å
75F89.8Confident86.3Confident4 Ų458.2 Ų58.22%0.01833%0.331CS..Hα-helixtrans-59.9-45.8173.4170.8-104.4000113.4V15 F16 L29 L37 V70 D71 F72 Q73 I77 L78 V79V15-F75 HydrophobicContact CG1-CZ 4.41Å; F16-F75 HydrophobicContact CB-CD1 4.12Å; F16-F75 HydrophobicContact CB-CE1 4.03Å; F16-F75 HydrophobicContact CD2-CB 3.71Å; F16-F75 AromaticContact CD2-CD1 3.65Å; F16-F75 HydrophobicContact CD2-CD1 3.65Å; F16-F75 HydrophobicContact CD2-CD2 4.16Å; F16-F75 HydrophobicContact CD2-CE1 4.31Å; F16-F75 AromaticContact CD2-CG 3.56Å; F16-F75 HydrophobicContact CD2-CG 3.56Å; F16-F75 HydrophobicContact CE2-CB 3.75Å; F16-F75 HydrophobicContact CE2-CG 4.13Å; F16-F75 HydrophobicContact CG-CD1 4.27Å; L29-F75 HydrophobicContact CD1-CD2 4.33Å; L37-F75 HydrophobicContact CD1-CD2 4.28Å; L37-F75 HydrophobicContact CD1-CE2 3.7Å; L37-F75 HydrophobicContact CD1-CZ 4.29Å; L37-F75 HydrophobicContact CD2-CE2 3.91Å; L37-F75 HydrophobicContact CG-CE2 4.5Å; V70-F75 HydrophobicContact CG1-CB 4.22Å; D71-F75 WeakPolarHBondContact O-CB 3.05Å; D71-F75 PolarHBondContact O-N 2.86Å; F72-F75 HydrophobicContact CD2-CD1 4.23Å; F72-F75 HydrophobicContact CE2-CD1 4.19Å; Q73-F75 VanDerWaalsContact C-N 3.3Å; Q73-F75 PolarHBondContact O-N 3.47Å; F75-I77 VanDerWaalsContact C-N 3.29Å; F75-I77 PolarHBondContact O-N 2.87Å; F75-L78 VanDerWaalsContact O-CB 3.31Å; F75-L78 WeakPolarHBondContact O-CB 3.24Å; F75-L78 PolarHBondContact O-N 2.84Å; F75-V79 HydrophobicContact CD2-CG2 4.33Å; F75-V79 HydrophobicContact CE1-CG2 4.05Å; F75-V79 HydrophobicContact CE2-CG2 3.79Å; F75-V79 HydrophobicContact CZ-CG2 3.65Å; F75-V79 WeakPolarHBondContact O-CG2 3.39Å; F75-V79 PolarHBondContact O-N 3.2Å; F75-V79 VanDerWaalsContact O-N 3.09Å
76V90.6Very high85.4Confident51 Ų5156.7 Ų56.731%0.30933%0.327SS..Hα-helixtrans-65.5-36.1-180170.40000111.1F72 Q73 E74 L78 V79 A80F72-V76 HydrophobicContact CD1-CG2 4.15Å; F72-V76 HydrophobicContact CD2-CG2 4.49Å; F72-V76 HydrophobicContact CE1-CG2 3.67Å; F72-V76 HydrophobicContact CE2-CG2 4.05Å; F72-V76 HydrophobicContact CZ-CG2 3.61Å; F72-V76 VanDerWaalsContact O-CG2 3.3Å; F72-V76 WeakPolarHBondContact O-CG2 3.41Å; F72-V76 PolarHBondContact O-N 3.04Å; Q73-V76 PolarHBondContact O-N 3.38Å; E74-V76 PolarHBondContact O-N 2.66Å; V76-L78 VanDerWaalsContact C-N 3.34Å; V76-V79 PolarHBondContact O-N 2.83Å; V76-A80 WeakPolarHBondContact O-CB 3.24Å; V76-A80 PolarHBondContact O-N 2.87Å
77I87.6Confident84.7Confident83 Ų8352.7 Ų52.743%0.42631%0.314SS..Hα-helixtrans-61-43.8174.5-67.7166.3000110.4Q73 E74 F75 V79 A80 A81Q73-I77 HydrophobicContact CG-CD1 4.26Å; Q73-I77 WeakPolarHBondContact O-CG1 3.49Å; Q73-I77 PolarHBondContact O-N 2.99Å; E74-I77 PolarHBondContact O-N 3.26Å; F75-I77 VanDerWaalsContact C-N 3.29Å; F75-I77 PolarHBondContact O-N 2.87Å; I77-V79 PolarHBondContact O-N 3.5Å; I77-A80 PolarHBondContact O-N 3.49Å; I77-A81 WeakPolarHBondContact O-CB 3.47Å; I77-A81 PolarHBondContact O-N 3.34Å
78L83.8Confident83.4Confident18 Ų1855.6 Ų55.69%0.09433%0.325CS..Hα-helixtrans-55.1-54.7173.4-175.964.5000111.3L38 I58 L62 E74 F75 V76 A80 A81 L82L38-L78 HydrophobicContact CD2-CD2 4.07Å; I58-L78 HydrophobicContact CG2-CD1 3.98Å; I58-L78 HydrophobicContact CG2-CD2 4.2Å; L62-L78 HydrophobicContact CD1-CB 3.9Å; L62-L78 HydrophobicContact CD1-CD1 3.93Å; L62-L78 HydrophobicContact CD1-CD2 3.62Å; L62-L78 HydrophobicContact CD1-CG 3.96Å; L62-L78 HydrophobicContact CD2-CB 3.44Å; L62-L78 VanDerWaalsContact CD2-CB 3.44Å; L62-L78 HydrophobicContact CD2-CD1 3.8Å; L62-L78 HydrophobicContact CD2-CG 4.08Å; L62-L78 HydrophobicContact CG-CB 4.26Å; L62-L78 HydrophobicContact CG-CD1 4.16Å; E74-L78 PolarHBondContact O-N 2.82Å; E74-L78 VanDerWaalsContact O-N 3.11Å; F75-L78 VanDerWaalsContact O-CB 3.31Å; F75-L78 WeakPolarHBondContact O-CB 3.24Å; F75-L78 PolarHBondContact O-N 2.84Å; V76-L78 VanDerWaalsContact C-N 3.34Å; L78-A80 PolarHBondContact O-N 2.83Å; L78-A81 PolarHBondContact O-N 3.38Å; L78-A81 VanDerWaalsContact O-N 3.1Å; L78-L82 HydrophobicContact CD1-CD1 4.17Å; L78-L82 HydrophobicContact CD1-CG 4.19Å; L78-L82 HydrophobicContact CD2-CD1 4.19Å; L78-L82 HydrophobicContact CG-CD1 3.86Å; L78-L82 HydrophobicContact CG-CG 4.22Å; L78-L82 WeakPolarHBondContact O-CG 3.25Å; L78-L82 PolarHBondContact O-N 2.9Å
79V86.2Confident81.9Confident30 Ų3060.6 Ų60.618%0.18234%0.337CS..Hα-helixtrans-63.2-38.3-173.4175.30000110L12 F75 V76 I77 T83L12-V79 HydrophobicContact CD2-CG1 3.8Å; L12-V79 HydrophobicContact CD2-CG2 4.44Å; F75-V79 HydrophobicContact CD2-CG2 4.33Å; F75-V79 HydrophobicContact CE1-CG2 4.05Å; F75-V79 HydrophobicContact CE2-CG2 3.79Å; F75-V79 HydrophobicContact CZ-CG2 3.65Å; F75-V79 WeakPolarHBondContact O-CG2 3.39Å; F75-V79 PolarHBondContact O-N 3.2Å; F75-V79 VanDerWaalsContact O-N 3.09Å; V76-V79 PolarHBondContact O-N 2.83Å; I77-V79 PolarHBondContact O-N 3.5Å; V79-T83 VanDerWaalsContact O-CB 3.25Å; V79-T83 WeakPolarHBondContact O-CB 3.34Å; V79-T83 PolarHBondContact O-N 3.01Å; V79-T83 PolarHBondContact O-OG1 3.33Å
80A87Confident79.9Confident50 Ų5064.5 Ų64.541%0.41335%0.353SS..Hα-helixtrans-62.6-47.1173.300000111.5V76 I77 L78 L82 T83 V84V76-A80 WeakPolarHBondContact O-CB 3.24Å; V76-A80 PolarHBondContact O-N 2.87Å; I77-A80 PolarHBondContact O-N 3.49Å; L78-A80 PolarHBondContact O-N 2.83Å; A80-L82 PolarHBondContact O-N 3.1Å; A80-T83 WeakPolarHBondContact O-CB 3.36Å; A80-T83 PolarHBondContact O-N 3.24Å; A80-V84 WeakPolarHBondContact O-CG2 3.47Å; A80-V84 PolarHBondContact O-N 2.9Å
81A82.6Confident78Confident57 Ų5767.9 Ų67.947%0.47137%0.374SS..Hα-helixtrans-61-45.1177.900000112.1I77 L78 T83 V84 A85I77-A81 WeakPolarHBondContact O-CB 3.47Å; I77-A81 PolarHBondContact O-N 3.34Å; L78-A81 PolarHBondContact O-N 3.38Å; L78-A81 VanDerWaalsContact O-N 3.1Å; A81-T83 VanDerWaalsContact C-N 3.34Å; A81-T83 PolarHBondContact O-N 3.38Å; A81-V84 PolarHBondContact O-N 3.43Å; A81-A85 WeakPolarHBondContact O-CB 3.19Å; A81-A85 PolarHBondContact O-N 3.39Å
82L79.2Confident75.9Confident25 Ų2572.5 Ų72.513%0.13139%0.394CS..Hα-helixtrans-62.7-41.3174.1-69.7177.6000111.7L42 F45 L78 A80 V84 A85 C86L42-L82 HydrophobicContact CD1-CD1 3.71Å; F45-L82 HydrophobicContact CD1-CD2 4.26Å; F45-L82 HydrophobicContact CD2-CD2 4.21Å; F45-L82 HydrophobicContact CE1-CD2 3.57Å; F45-L82 HydrophobicContact CE2-CD2 3.52Å; F45-L82 HydrophobicContact CZ-CD2 3.16Å; L78-L82 HydrophobicContact CD1-CD1 4.17Å; L78-L82 HydrophobicContact CD1-CG 4.19Å; L78-L82 HydrophobicContact CD2-CD1 4.19Å; L78-L82 HydrophobicContact CG-CD1 3.86Å; L78-L82 HydrophobicContact CG-CG 4.22Å; L78-L82 WeakPolarHBondContact O-CG 3.25Å; L78-L82 PolarHBondContact O-N 2.9Å; A80-L82 PolarHBondContact O-N 3.1Å; L82-V84 VanDerWaalsContact C-N 3.32Å; L82-V84 PolarHBondContact O-N 3.48Å; L82-A85 PolarHBondContact O-N 3.31Å; L82-C86 VanDerWaalsContact O-CB 3.24Å; L82-C86 WeakPolarHBondContact O-CB 3.34Å; L82-C86 PolarHBondContact O-N 3.09Å; L82-C86 PolarHBondContact O-SG 3.49Å
83T83.7Confident73.9Confident85 Ų8572 Ų7252%0.52140%0.399SS..Hα-helixtrans-62.2-42.2176.7-59.60000110.7V79 A80 A81 N87V79-T83 VanDerWaalsContact O-CB 3.25Å; V79-T83 WeakPolarHBondContact O-CB 3.34Å; V79-T83 PolarHBondContact O-N 3.01Å; V79-T83 PolarHBondContact O-OG1 3.33Å; A80-T83 WeakPolarHBondContact O-CB 3.36Å; A80-T83 PolarHBondContact O-N 3.24Å; A81-T83 VanDerWaalsContact C-N 3.34Å; A81-T83 PolarHBondContact O-N 3.38Å; T83-N87 WeakPolarHBondContact O-CB 3.05Å; T83-N87 PolarHBondContact O-N 3.46Å
84V80.1Confident71.8Confident82 Ų8272.4 Ų72.450%0.49741%0.405SS..Hα-helixtrans-66.5-46.9176.2173.10000111.1A80 A81 L82 C86 N87 E88A80-V84 WeakPolarHBondContact O-CG2 3.47Å; A80-V84 PolarHBondContact O-N 2.9Å; A81-V84 PolarHBondContact O-N 3.43Å; L82-V84 VanDerWaalsContact C-N 3.32Å; L82-V84 PolarHBondContact O-N 3.48Å; V84-C86 PolarHBondContact O-N 3.09Å; V84-N87 CarbonylContact O-C 3.57Å; V84-N87 WeakPolarHBondContact O-CA 3.36Å; V84-N87 WeakPolarHBondContact O-CB 3.24Å; V84-N87 PolarHBondContact O-N 3.48Å; V84-N87 VanDerWaalsContact O-N 3.09Å; V84-E88 PolarHBondContact O-N 3.47Å
85A72.6Confident69.7Low51 Ų5178.5 Ų78.542%0.42144%0.437SS..Hα-helixtrans-61.3-43.9178.300000111.8A81 L82 E88 F89A81-A85 WeakPolarHBondContact O-CB 3.19Å; A81-A85 PolarHBondContact O-N 3.39Å; L82-A85 PolarHBondContact O-N 3.31Å; A85-E88 PolarHBondContact O-N 2.79Å; A85-F89 WeakPolarHBondContact O-CB 3.5Å; A85-F89 PolarHBondContact O-N 2.86Å
86C68.6Low67.3Low52 Ų5289.8 Ų89.835%0.35149%0.49SS..Hα-helixtrans-64.3-41.2172.2-72.10000110.9L82 V84 E88 F89 F90L82-C86 VanDerWaalsContact O-CB 3.24Å; L82-C86 WeakPolarHBondContact O-CB 3.34Å; L82-C86 PolarHBondContact O-N 3.09Å; L82-C86 PolarHBondContact O-SG 3.49Å; V84-C86 PolarHBondContact O-N 3.09Å; C86-E88 PolarHBondContact O-N 2.8Å; C86-F89 PolarHBondContact O-N 2.83Å; C86-F90 HydrophobicContact CB-CD2 4.42Å; C86-F90 WeakPolarHBondContact O-CB 3.39Å; C86-F90 WeakPolarHBondContact O-CD2 3.42Å; C86-F90 PolarHBondContact O-N 3.29Å
87N71.2Confident66.1Low95 Ų9591.8 Ų91.851%0.50850%0.499SS..Hα-helixtrans-62.8-41.8178.4-177.477.3000111.5T83 V84 F90 V91T83-N87 WeakPolarHBondContact O-CB 3.05Å; T83-N87 PolarHBondContact O-N 3.46Å; V84-N87 CarbonylContact O-C 3.57Å; V84-N87 WeakPolarHBondContact O-CA 3.36Å; V84-N87 WeakPolarHBondContact O-CB 3.24Å; V84-N87 PolarHBondContact O-N 3.48Å; V84-N87 VanDerWaalsContact O-N 3.09Å; N87-F90 PolarHBondContact O-N 2.73Å; N87-V91 VanDerWaalsContact O-CB 3.24Å; N87-V91 WeakPolarHBondContact O-CB 3.45Å; N87-V91 WeakPolarHBondContact O-CG2 3.1Å; N87-V91 PolarHBondContact O-N 3.21Å
88E58Low65Low128 Ų12892.2 Ų92.260%0.59850%0.503SS*.Hα-helixtrans-64.9-44.1172.9-72.5-174.6154.200111.8V84 A85 C86 F90 V91 E92V84-E88 PolarHBondContact O-N 3.47Å; A85-E88 PolarHBondContact O-N 2.79Å; C86-E88 PolarHBondContact O-N 2.8Å; E88-F90 VanDerWaalsContact C-N 3.32Å; E88-F90 PolarHBondContact O-N 3.08Å; E88-V91 PolarHBondContact O-N 3.23Å; E88-E92 PolarHBondContact O-N 2.88Å
89F54.9Low64Low144 Ų14496.3 Ų96.363%0.63253%0.526SS*.Hα-helixtrans-60.5-40.1176.2-163.3-92000112.4A85 C86 S93A85-F89 WeakPolarHBondContact O-CB 3.5Å; A85-F89 PolarHBondContact O-N 2.86Å; C86-F89 PolarHBondContact O-N 2.83Å; F89-S93 WeakPolarHBondContact O-CB 3.4Å; F89-S93 PolarHBondContact O-N 3.08Å; F89-S93 VanDerWaalsContact O-N 3.08Å; F89-S93 PolarHBondContact O-OG 2.83Å
90F48.3Very low62.7Low139 Ų139100.2 Ų100.261%0.6155%0.546SS*.Hα-helixtrans-74.9-30.9175.4-86.4-73.8000112.8C86 N87 E88 L94C86-F90 HydrophobicContact CB-CD2 4.42Å; C86-F90 WeakPolarHBondContact O-CB 3.39Å; C86-F90 WeakPolarHBondContact O-CD2 3.42Å; C86-F90 PolarHBondContact O-N 3.29Å; N87-F90 PolarHBondContact O-N 2.73Å; E88-F90 VanDerWaalsContact C-N 3.32Å; E88-F90 PolarHBondContact O-N 3.08Å; F90-L94 WeakPolarHBondContact O-CD1 3.29Å; F90-L94 VanDerWaalsContact O-CG 3.29Å; F90-L94 WeakPolarHBondContact O-CG 3.46Å; F90-L94 PolarHBondContact O-N 3.17Å
91V50.7Low61.1Low72 Ų72103.4 Ų103.444%0.43656%0.555SS.*Hα-helixtrans-71.9-35.7175167.60000111.2N87 E88 N95N87-V91 VanDerWaalsContact O-CB 3.24Å; N87-V91 WeakPolarHBondContact O-CB 3.45Å; N87-V91 WeakPolarHBondContact O-CG2 3.1Å; N87-V91 PolarHBondContact O-N 3.21Å; E88-V91 PolarHBondContact O-N 3.23Å; V91-N95 PolarHBondContact O-ND2 3.08Å; V91-N95 VanDerWaalsContact O-ND2 3.08Å
92E47Very low59.7Low144 Ų144106.5 Ų106.567%0.67356%0.56SS**Hα-helixtrans-69.6-41.7171.1-78.6-171.2151.600112E88 L94 N95E88-E92 PolarHBondContact O-N 2.88Å; E92-L94 PolarHBondContact O-N 3.28Å; E92-N95 PolarHBondContact O-N 2.98Å; E92-N95 VanDerWaalsContact O-N 3.08Å
93S48.7Very low58.3Low62 Ų62112.3 Ų112.343%0.43459%0.591SS.*Hα-helixtrans-68.6-14.2179.6-56.20000114.7F89F89-S93 WeakPolarHBondContact O-CB 3.4Å; F89-S93 PolarHBondContact O-N 3.08Å; F89-S93 VanDerWaalsContact O-N 3.08Å; F89-S93 PolarHBondContact O-OG 2.83Å
94L46Very low56.4Low141 Ų141114.4 Ų114.474%0.73860%0.596SS**THydrogen-bonded Turntrans-90.6-7.2174.5-76.3168000113.1F90 E92F90-L94 WeakPolarHBondContact O-CD1 3.29Å; F90-L94 VanDerWaalsContact O-CG 3.29Å; F90-L94 WeakPolarHBondContact O-CG 3.46Å; F90-L94 PolarHBondContact O-N 3.17Å; E92-L94 PolarHBondContact O-N 3.28Å
95N47.3Very low54.4Low135 Ų135117.1 Ų117.172%0.72261%0.605SS**  trans-100.77.5178.8-72.1-38.6000113.3V91 E92V91-N95 PolarHBondContact O-ND2 3.08Å; V91-N95 VanDerWaalsContact O-ND2 3.08Å; E92-N95 PolarHBondContact O-N 2.98Å; E92-N95 VanDerWaalsContact O-N 3.08Å
96E39.4Very low52.8Low242 Ų242123.1 Ų123.1100%1.13162%0.621SS**  trans-103.20169.6-71.1-167.6107.900112.9

Retrieved 96 of 96 residues in 206.9 ms (Link to these results)

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