A0A060Y2I4_ONCMY Loading...

Ribonuclease, RNase K a

AlphaFold DB , UniProt , Accession A0A060Y2I4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110531452, Length 101 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
1M39.4Very low56.3Low224 Ų224108.5 Ų108.5100%1.10359%0.594SS**  0101.60-156.4179.8-64.600106.3S3M1-S3 PolarHBondContact O-N 3.31Å
2V35.2Very low57.9Low143 Ų14399.6 Ų99.687%0.86755%0.546SS*.  trans-65.989.2-172.7-1740000108.1C4V2-C4 HydrophobicContact CG1-CB 4.41Å; V2-C4 PolarHBondContact O-N 3.14Å
3S46.1Very low59.3Low67 Ų6795.5 Ų95.547%0.46953%0.533SS..  trans-73.477.4169.3-73.80000106.7M1 L5M1-S3 PolarHBondContact O-N 3.31Å; S3-L5 PolarHBondContact O-N 3.41Å
4C46.2Very low60.9Low84 Ų8493.3 Ų93.357%0.56853%0.526SS*.  trans-74.566165.9-155.80000107.8V2 F6V2-C4 HydrophobicContact CG1-CB 4.41Å; V2-C4 PolarHBondContact O-N 3.14Å; C4-F6 PolarHBondContact O-N 3.46Å
5L53.4Low62.2Low57 Ų5788.4 Ų88.430%0.29851%0.505SS..  trans-80.173.3175.1-144.494.2000106.4S3 C7 L92 K96S3-L5 PolarHBondContact O-N 3.41Å; L5-C7 VanDerWaalsContact C-N 3.26Å; L5-L92 HydrophobicContact CD1-CB 4.29Å; L5-K96 HydrophobicContact CD2-CD 4.48Å
6F55.7Low63.5Low186 Ų18685.1 Ų85.182%0.81649%0.485SS*.  trans-80-13.9-173.9-142.3-91.3000112.2C4C4-F6 PolarHBondContact O-N 3.46Å
7C60.6Low65Low27 Ų2786 Ų8618%0.18249%0.492CS..SBendtrans-134.7127.7-167.1-152.90000110.6L5 L11L5-C7 VanDerWaalsContact C-N 3.26Å; C7-L11 WeakPolarHBondContact SG-CB 3.47Å; C7-L11 WeakPolarHBondContact SG-CD2 3.36Å; C7-L11 WeakPolarHBondContact SG-CG 3.33Å
8G67.6Low66.3Low38 Ų3886.4 Ų86.439%0.39249%0.491SS..  trans-68.8161.9174.100000112.5K10 L11 A12G8-K10 VanDerWaalsContact C-N 3.25Å; G8-K10 PolarHBondContact O-N 3.42Å; G8-K10 VanDerWaalsContact O-N 3.11Å; G8-L11 PolarHBondContact O-N 2.98Å; G8-A12 PolarHBondContact O-N 3.36Å
9P68.9Low67.4Low67 Ų6782 Ų8244%0.43547%0.467SS..Hα-helixtrans-56.4-34.9-172.518.3-30.5000114.2A13 N93P9-A13 PolarHBondContact O-N 3.45Å; P9-N93 WeakPolarHBondContact CB-ND2 3.23Å; P9-N93 VanDerWaalsContact CG-ND2 3.33Å; P9-N93 WeakPolarHBondContact CG-ND2 3.25Å
10K72.2Confident68.5Low188 Ų18882.5 Ų82.582%0.81747%0.467SS*.Hα-helixtrans-71.1-39.4178-67.1-169.1165.883.60112.8G8 C14G8-K10 VanDerWaalsContact C-N 3.25Å; G8-K10 PolarHBondContact O-N 3.42Å; G8-K10 VanDerWaalsContact O-N 3.11Å; K10-C14 PolarHBondContact O-N 3.02Å
11L74Confident69.8Low113 Ų11387.8 Ų87.859%0.59248%0.48SS*.Hα-helixtrans-74.7-34.9-179.7-171.567.2000110.9C7 G8 C14 G15C7-L11 WeakPolarHBondContact SG-CB 3.47Å; C7-L11 WeakPolarHBondContact SG-CD2 3.36Å; C7-L11 WeakPolarHBondContact SG-CG 3.33Å; G8-L11 PolarHBondContact O-N 2.98Å; L11-C14 PolarHBondContact O-N 3.39Å; L11-G15 PolarHBondContact O-N 3.16Å
12A76.1Confident72.2Confident1 Ų177.5 Ų77.51%0.00843%0.431CS..Hα-helixtrans-64.4-39.3173.100000112.6G8 G15 I16 I90G8-A12 PolarHBondContact O-N 3.36Å; A12-G15 PolarHBondContact O-N 3.38Å; A12-I16 WeakPolarHBondContact O-CG1 3.42Å; A12-I16 PolarHBondContact O-N 3.22Å; A12-I16 VanDerWaalsContact O-N 3.15Å; A12-I90 HydrophobicContact CB-CD1 4.23Å; A12-I90 HydrophobicContact CB-CG1 3.7Å
13A75.8Confident75Confident47 Ų4772.4 Ų72.439%0.38840%0.4SS..Hα-helixtrans-63.4-43.9174.600000112P9 G15 I16 V17P9-A13 PolarHBondContact O-N 3.45Å; A13-G15 VanDerWaalsContact C-N 3.34Å; A13-G15 PolarHBondContact O-N 3.06Å; A13-I16 PolarHBondContact O-N 3.08Å; A13-V17 PolarHBondContact O-N 3.45Å
14C81.9Confident77.3Confident64 Ų6473.9 Ų73.943%0.43240%0.401SS..Hα-helixtrans-59.9-43.4173.8-173.20000111.8K10 L11 I16 V17 I18K10-C14 PolarHBondContact O-N 3.02Å; L11-C14 PolarHBondContact O-N 3.39Å; C14-I16 VanDerWaalsContact C-N 3.31Å; C14-I16 PolarHBondContact O-N 3.47Å; C14-V17 PolarHBondContact O-N 3.32Å; C14-I18 WeakPolarHBondContact O-CG1 3.04Å; C14-I18 PolarHBondContact O-N 3.13Å
15G80.4Confident79.5Confident20 Ų2074.5 Ų74.521%0.20640%0.397CS..Hα-helixtrans-60.7-34.6178.100000114.1L11 A12 A13 S19L11-G15 PolarHBondContact O-N 3.16Å; A12-G15 PolarHBondContact O-N 3.38Å; A13-G15 VanDerWaalsContact C-N 3.34Å; A13-G15 PolarHBondContact O-N 3.06Å; G15-S19 VanDerWaalsContact O-CB 3.24Å; G15-S19 WeakPolarHBondContact O-CB 3.31Å; G15-S19 PolarHBondContact O-N 3.23Å; G15-S19 PolarHBondContact O-OG 2.98Å
16I82.8Confident81.4Confident35 Ų3573.1 Ų73.118%0.17939%0.39CS..Hα-helixtrans-68.6-45.7175.5-68.5175.3000111.1A12 A13 C14 I18 S19 I20 F87 I90A12-I16 WeakPolarHBondContact O-CG1 3.42Å; A12-I16 PolarHBondContact O-N 3.22Å; A12-I16 VanDerWaalsContact O-N 3.15Å; A13-I16 PolarHBondContact O-N 3.08Å; C14-I16 VanDerWaalsContact C-N 3.31Å; C14-I16 PolarHBondContact O-N 3.47Å; I16-I18 PolarHBondContact O-N 2.86Å; I16-S19 PolarHBondContact O-N 3.33Å; I16-I20 HydrophobicContact CG2-CD1 3.68Å; I16-I20 HydrophobicContact CG2-CG1 4.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.33Å; I16-I20 PolarHBondContact O-N 3.3Å; I16-F87 HydrophobicContact CD1-CB 4.33Å; I16-I90 HydrophobicContact CD1-CD1 3.4Å
17V88.2Confident83.1Confident101 Ų10165.6 Ų65.661%0.61236%0.362SS*.Hα-helixtrans-61.1-47.4-179.7176.40000110.8A13 C14 S19 I20 W21A13-V17 PolarHBondContact O-N 3.45Å; C14-V17 PolarHBondContact O-N 3.32Å; V17-S19 VanDerWaalsContact C-N 3.31Å; V17-S19 PolarHBondContact O-N 2.88Å; V17-I20 PolarHBondContact O-N 3.27Å; V17-W21 WeakPolarHBondContact O-CB 3.4Å; V17-W21 PolarHBondContact O-N 2.93Å
18I88.1Confident84.5Confident93 Ų9369 Ų6948%0.47738%0.377SS..Hα-helixtrans-63.4-39.6177.4-65.2173.5000110.7C14 I16 W21 G22C14-I18 WeakPolarHBondContact O-CG1 3.04Å; C14-I18 PolarHBondContact O-N 3.13Å; I16-I18 PolarHBondContact O-N 2.86Å; I18-W21 PolarHBondContact O-N 3.24Å; I18-G22 PolarHBondContact O-N 2.96Å
19S88.8Confident85.6Confident3 Ų369.3 Ų69.32%0.02137%0.369CS..Hα-helixtrans-66.7-43.2178.9-61.40000112.3G15 I16 V17 W21 G22 V23G15-S19 VanDerWaalsContact O-CB 3.24Å; G15-S19 WeakPolarHBondContact O-CB 3.31Å; G15-S19 PolarHBondContact O-N 3.23Å; G15-S19 PolarHBondContact O-OG 2.98Å; I16-S19 PolarHBondContact O-N 3.33Å; V17-S19 VanDerWaalsContact C-N 3.31Å; V17-S19 PolarHBondContact O-N 2.88Å; S19-W21 VanDerWaalsContact C-N 3.34Å; S19-W21 PolarHBondContact O-N 2.88Å; S19-G22 PolarHBondContact O-N 2.74Å; S19-V23 VanDerWaalsContact O-CG2 3.26Å; S19-V23 WeakPolarHBondContact O-CG2 3.44Å; S19-V23 PolarHBondContact O-N 3.4Å
20I89.6Confident86.6Confident92 Ų9266.1 Ų66.147%0.47235%0.348SS..Hα-helixtrans-61-46.2176.7-68.6166.9000110.3I16 V17 G22 V23 I24I16-I20 HydrophobicContact CG2-CD1 3.68Å; I16-I20 HydrophobicContact CG2-CG1 4.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.33Å; I16-I20 PolarHBondContact O-N 3.3Å; V17-I20 PolarHBondContact O-N 3.27Å; I20-G22 PolarHBondContact O-N 3.39Å; I20-V23 PolarHBondContact O-N 3.39Å; I20-I24 HydrophobicContact CG2-CD1 4Å; I20-I24 WeakPolarHBondContact O-CG1 3.33Å; I20-I24 PolarHBondContact O-N 2.92Å; I20-I24 VanDerWaalsContact O-N 3.16Å
21W94.2Very high87.5Confident194 Ų19461.3 Ų61.374%0.73533%0.331SS*.Hα-helixtrans-58.1-48.5175.6177.7-93.5000111.9V17 I18 S19 V23 I24 M25V17-W21 WeakPolarHBondContact O-CB 3.4Å; V17-W21 PolarHBondContact O-N 2.93Å; I18-W21 PolarHBondContact O-N 3.24Å; S19-W21 VanDerWaalsContact C-N 3.34Å; S19-W21 PolarHBondContact O-N 2.88Å; W21-V23 PolarHBondContact O-N 3.22Å; W21-I24 PolarHBondContact O-N 2.99Å; W21-M25 WeakPolarHBondContact O-CB 3.47Å; W21-M25 PolarHBondContact O-N 3.06Å; W21-M25 VanDerWaalsContact O-N 3.08Å
22G91.2Very high88.2Confident8 Ų860.4 Ų60.48%0.08232%0.322CS..Hα-helixtrans-59.4-44.4178.500000112.7I18 S19 I20 I24 M25 L26I18-G22 PolarHBondContact O-N 2.96Å; S19-G22 PolarHBondContact O-N 2.74Å; I20-G22 PolarHBondContact O-N 3.39Å; G22-I24 PolarHBondContact O-N 2.84Å; G22-M25 PolarHBondContact O-N 3.13Å; G22-L26 VanDerWaalsContact O-CB 3.25Å; G22-L26 WeakPolarHBondContact O-CB 3.32Å; G22-L26 WeakPolarHBondContact O-CD1 3.47Å; G22-L26 WeakPolarHBondContact O-CG 3.4Å; G22-L26 PolarHBondContact O-N 3.22Å
23V93.6Very high88.7Confident36 Ų3660.8 Ų60.822%0.21832%0.324CS..Hα-helixtrans-59.9-47.9177.8172.70000111.4S19 I20 W21 A27 V80S19-V23 VanDerWaalsContact O-CG2 3.26Å; S19-V23 WeakPolarHBondContact O-CG2 3.44Å; S19-V23 PolarHBondContact O-N 3.4Å; I20-V23 PolarHBondContact O-N 3.39Å; W21-V23 PolarHBondContact O-N 3.22Å; V23-A27 WeakPolarHBondContact O-CB 3.31Å; V23-A27 PolarHBondContact O-N 3.41Å; V23-V80 HydrophobicContact CG1-CG2 4.08Å; V23-V80 HydrophobicContact CG2-CG2 3.63Å
24I93.9Very high89.1Confident97 Ų9761 Ų6150%0.49732%0.32SS..Hα-helixtrans-62.6-48.1-178.1-65.8166.9000110.3I20 W21 G22 M28I20-I24 HydrophobicContact CG2-CD1 4Å; I20-I24 WeakPolarHBondContact O-CG1 3.33Å; I20-I24 PolarHBondContact O-N 2.92Å; I20-I24 VanDerWaalsContact O-N 3.16Å; W21-I24 PolarHBondContact O-N 2.99Å; G22-I24 PolarHBondContact O-N 2.84Å; I24-M28 HydrophobicContact CG2-SD 4.26Å; I24-M28 WeakPolarHBondContact O-CB 3.47Å; I24-M28 WeakPolarHBondContact O-CG 3.48Å; I24-M28 PolarHBondContact O-N 2.95Å
25M92.9Very high89.3Confident97 Ų9762 Ų6248%0.47832%0.324SS..Hα-helixtrans-64.6-46.4-178-175.6-98.1-173.100112W21 G22 M28 L29W21-M25 WeakPolarHBondContact O-CB 3.47Å; W21-M25 PolarHBondContact O-N 3.06Å; W21-M25 VanDerWaalsContact O-N 3.08Å; G22-M25 PolarHBondContact O-N 3.13Å; M25-M28 PolarHBondContact O-N 3.16Å; M25-L29 HydrophobicContact CE-CD1 3.48Å; M25-L29 VanDerWaalsContact CE-CD1 3.48Å; M25-L29 WeakPolarHBondContact O-CG 3.38Å; M25-L29 PolarHBondContact O-N 2.92Å; M25-L29 HydrophobicContact SD-CD1 3.67Å
26L92.2Very high89.4Confident28 Ų2863.9 Ų63.915%0.14733%0.328CS..Hα-helixtrans-69.9-35.9179.7-75.3159.6000112.9G22 G30 C72 A75 A76 Y79G22-L26 VanDerWaalsContact O-CB 3.25Å; G22-L26 WeakPolarHBondContact O-CB 3.32Å; G22-L26 WeakPolarHBondContact O-CD1 3.47Å; G22-L26 WeakPolarHBondContact O-CG 3.4Å; G22-L26 PolarHBondContact O-N 3.22Å; L26-G30 PolarHBondContact O-N 2.93Å; L26-C72 HydrophobicContact CD2-CB 4.37Å; L26-A75 HydrophobicContact CD1-CB 4Å; L26-A75 HydrophobicContact CD2-CB 4.16Å; L26-A76 HydrophobicContact CB-CB 3.88Å; L26-Y79 HydrophobicContact CD1-CD2 3.41Å; L26-Y79 VanDerWaalsContact CD1-CD2 3.41Å; L26-Y79 HydrophobicContact CD1-CE2 3.44Å; L26-Y79 VanDerWaalsContact CD1-CE2 3.44Å
27A91.7Very high89.3Confident29 Ų2964 Ų6424%0.2433%0.332CS..Hα-helixtrans-67-43.2176.400000111.3V23 G30 I31V23-A27 WeakPolarHBondContact O-CB 3.31Å; V23-A27 PolarHBondContact O-N 3.41Å; A27-G30 PolarHBondContact O-N 3.29Å; A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.49Å; A27-I31 PolarHBondContact O-N 3.32Å
28M91.4Very high88.8Confident99 Ų9963 Ų6349%0.48833%0.334SS..Hα-helixtrans-61-47.1174.4-78.1179.748.600111.8I24 M25 G30 I31 F32I24-M28 HydrophobicContact CG2-SD 4.26Å; I24-M28 WeakPolarHBondContact O-CB 3.47Å; I24-M28 WeakPolarHBondContact O-CG 3.48Å; I24-M28 PolarHBondContact O-N 2.95Å; M25-M28 PolarHBondContact O-N 3.16Å; M28-G30 PolarHBondContact O-N 2.85Å; M28-I31 PolarHBondContact O-N 3.37Å; M28-F32 HydrophobicContact CB-CE2 4.34Å; M28-F32 HydrophobicContact CE-CE2 4.08Å; M28-F32 HydrophobicContact CE-CZ 4.48Å; M28-F32 WeakPolarHBondContact O-CD2 3.13Å; M28-F32 WeakPolarHBondContact O-CG 3.31Å; M28-F32 PolarHBondContact O-N 2.99Å
29L89.9Confident88.6Confident43 Ų4364.6 Ų64.623%0.22535%0.348CS..Hα-helixtrans-59.8-45.7175.5-78.9174000112M25 I31 F32 F33 L40M25-L29 HydrophobicContact CE-CD1 3.48Å; M25-L29 VanDerWaalsContact CE-CD1 3.48Å; M25-L29 WeakPolarHBondContact O-CG 3.38Å; M25-L29 PolarHBondContact O-N 2.92Å; M25-L29 HydrophobicContact SD-CD1 3.67Å; L29-I31 VanDerWaalsContact C-N 3.3Å; L29-I31 PolarHBondContact O-N 3.44Å; L29-F32 PolarHBondContact O-N 3.11Å; L29-F32 VanDerWaalsContact O-N 3.15Å; L29-F33 HydrophobicContact CB-CD2 4.42Å; L29-F33 HydrophobicContact CB-CE2 4.37Å; L29-F33 HydrophobicContact CD2-CE2 4.39Å; L29-F33 WeakPolarHBondContact O-CD2 3.26Å; L29-F33 PolarHBondContact O-N 3.03Å; L29-L40 HydrophobicContact CD2-CD2 4.06Å
30G90Very high88.2Confident0 Ų065.2 Ų65.20%035%0.351CS..Hα-helixtrans-55.4-44.9176.900000112.3L26 A27 M28 F33 T34 F73L26-G30 PolarHBondContact O-N 2.93Å; A27-G30 PolarHBondContact O-N 3.29Å; M28-G30 PolarHBondContact O-N 2.85Å; G30-F33 PolarHBondContact O-N 3.42Å; G30-T34 WeakPolarHBondContact O-CG2 3.41Å; G30-T34 PolarHBondContact O-N 3.47Å; G30-T34 PolarHBondContact O-OG1 3.06Å; G30-F73 VanDerWaalsContact C-CE2 3.45Å; G30-F73 VanDerWaalsContact C-CZ 3.48Å; G30-F73 WeakPolarHBondContact O-CE2 3.38Å
31I90.2Very high87.6Confident87 Ų8764.6 Ų64.645%0.44635%0.348SS..Hα-helixtrans-61.3-49.4176-65.1163.4000110.4A27 M28 L29 F33 T34 T35 F73A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.49Å; A27-I31 PolarHBondContact O-N 3.32Å; M28-I31 PolarHBondContact O-N 3.37Å; L29-I31 VanDerWaalsContact C-N 3.3Å; L29-I31 PolarHBondContact O-N 3.44Å; I31-F33 VanDerWaalsContact C-N 3.31Å; I31-F33 PolarHBondContact O-N 3.02Å; I31-T34 WeakPolarHBondContact CA-OG1 3.24Å; I31-T34 PolarHBondContact O-N 3.45Å; I31-T34 VanDerWaalsContact O-N 3.11Å; I31-T34 PolarHBondContact O-OG1 3.39Å; I31-T35 HydrophobicContact CG2-CG2 4.48Å; I31-T35 PolarHBondContact O-N 2.9Å; I31-T35 PolarHBondContact O-OG1 2.7Å; I31-F73 HydrophobicContact CG1-CE1 4.34Å; I31-F73 HydrophobicContact CG1-CZ 3.92Å
32F88.7Confident86.8Confident95 Ų9564.1 Ų64.142%0.41735%0.354SS..Hα-helixtrans-62.5-34.1-179.8-65.9-42.9000113.8M28 L29 T35 H36 S37 L40M28-F32 HydrophobicContact CB-CE2 4.34Å; M28-F32 HydrophobicContact CE-CE2 4.08Å; M28-F32 HydrophobicContact CE-CZ 4.48Å; M28-F32 WeakPolarHBondContact O-CD2 3.13Å; M28-F32 WeakPolarHBondContact O-CG 3.31Å; M28-F32 PolarHBondContact O-N 2.99Å; L29-F32 PolarHBondContact O-N 3.11Å; L29-F32 VanDerWaalsContact O-N 3.15Å; F32-T35 WeakPolarHBondContact CA-OG1 3.33Å; F32-T35 PolarHBondContact O-OG1 3.49Å; F32-T35 VanDerWaalsContact O-OG1 3.13Å; F32-H36 PolarHBondContact O-N 2.89Å; F32-S37 PolarHBondContact O-N 3.4Å; F32-L40 HydrophobicContact CB-CD2 3.96Å
33F86.3Confident86.4Confident8 Ų869 Ų694%0.03538%0.378CS..Hα-helixtrans-69.2-39.2172.8-80.1-65.3000112.1L29 G30 I31 T35 H36 L40 D43 V44 Y65 V68L29-F33 HydrophobicContact CB-CD2 4.42Å; L29-F33 HydrophobicContact CB-CE2 4.37Å; L29-F33 HydrophobicContact CD2-CE2 4.39Å; L29-F33 WeakPolarHBondContact O-CD2 3.26Å; L29-F33 PolarHBondContact O-N 3.03Å; G30-F33 PolarHBondContact O-N 3.42Å; I31-F33 VanDerWaalsContact C-N 3.31Å; I31-F33 PolarHBondContact O-N 3.02Å; F33-T35 VanDerWaalsContact C-N 3.34Å; F33-T35 PolarHBondContact O-N 3.49Å; F33-H36 PolarHBondContact O-N 3.35Å; F33-H36 PolarHBondContact O-ND1 3.16Å; F33-L40 HydrophobicContact CD1-CB 4.22Å; F33-L40 HydrophobicContact CD1-CD2 3.71Å; F33-L40 HydrophobicContact CD1-CG 4.36Å; F33-L40 HydrophobicContact CD2-CD2 3.59Å; F33-L40 HydrophobicContact CE1-CB 3.76Å; F33-L40 HydrophobicContact CE1-CD2 3.49Å; F33-L40 VanDerWaalsContact CE1-CD2 3.49Å; F33-L40 HydrophobicContact CE1-CG 3.75Å; F33-L40 HydrophobicContact CE2-CD2 3.36Å; F33-L40 HydrophobicContact CE2-CG 4.17Å; F33-L40 HydrophobicContact CG-CD2 3.73Å; F33-L40 HydrophobicContact CZ-CB 4.18Å; F33-L40 HydrophobicContact CZ-CD2 3.3Å; F33-L40 HydrophobicContact CZ-CG 3.63Å; F33-D43 HydrophobicContact CE1-CB 4.33Å; F33-D43 HydrophobicContact CZ-CB 3.96Å; F33-V44 HydrophobicContact CD1-CG2 4.22Å; F33-V44 HydrophobicContact CE1-CG2 3.84Å; F33-Y65 AromaticContact CD1-CD1 3.85Å; F33-Y65 HydrophobicContact CD1-CD1 3.85Å; F33-Y65 HydrophobicContact CD1-CE1 4.21Å; F33-V68 HydrophobicContact CD1-CB 4.26Å; F33-V68 HydrophobicContact CD1-CG1 4.02Å; F33-V68 HydrophobicContact CD2-CG1 3.97Å; F33-V68 HydrophobicContact CE1-CB 4.4Å; F33-V68 HydrophobicContact CE1-CG1 3.81Å; F33-V68 HydrophobicContact CE2-CG1 3.76Å; F33-V68 HydrophobicContact CG-CB 4.48Å; F33-V68 HydrophobicContact CG-CG1 4.12Å; F33-V68 HydrophobicContact CZ-CG1 3.69Å
34T84.1Confident85.8Confident52 Ų5267.5 Ų67.532%0.31937%0.369SS..Hα-helixtrans-71.1-25.6176.356.50000114G30 I31 F73G30-T34 WeakPolarHBondContact O-CG2 3.41Å; G30-T34 PolarHBondContact O-N 3.47Å; G30-T34 PolarHBondContact O-OG1 3.06Å; I31-T34 WeakPolarHBondContact CA-OG1 3.24Å; I31-T34 PolarHBondContact O-N 3.45Å; I31-T34 VanDerWaalsContact O-N 3.11Å; I31-T34 PolarHBondContact O-OG1 3.39Å; T34-F73 HydrophobicContact CG2-CE2 3.79Å
35T86.1Confident85Confident84 Ų8467 Ų6752%0.51537%0.372SS..THydrogen-bonded Turntrans-85.34.1172.458.30000113.1I31 F32 F33 S37I31-T35 HydrophobicContact CG2-CG2 4.48Å; I31-T35 PolarHBondContact O-N 2.9Å; I31-T35 PolarHBondContact O-OG1 2.7Å; F32-T35 WeakPolarHBondContact CA-OG1 3.33Å; F32-T35 PolarHBondContact O-OG1 3.49Å; F32-T35 VanDerWaalsContact O-OG1 3.13Å; F33-T35 VanDerWaalsContact C-N 3.34Å; F33-T35 PolarHBondContact O-N 3.49Å; T35-S37 VanDerWaalsContact C-N 3.34Å; T35-S37 PolarHBondContact O-N 2.89Å
36H82.4Confident84.2Confident60 Ų6066.3 Ų66.328%0.27837%0.366SS..THydrogen-bonded Turntrans54.344.9178.9-52.6-49.4000113.5F32 F33 A38 Y62 Y65 N66F32-H36 PolarHBondContact O-N 2.89Å; F33-H36 PolarHBondContact O-N 3.35Å; F33-H36 PolarHBondContact O-ND1 3.16Å; H36-A38 PolarHBondContact O-N 3.28Å; H36-Y62 HydrophobicContact CB-CD1 3.96Å; H36-Y62 HydrophobicContact CB-CE1 3.81Å; H36-Y62 AromaticContact CD2-CD1 3.26Å; H36-Y62 WeakPolarHBondContact CD2-CD1 3.24Å; H36-Y62 AromaticContact CD2-CE1 3.56Å; H36-Y62 AromaticContact CE1-CD1 3.67Å; H36-Y62 PolarHBondContact CE1-O 3.11Å; H36-Y62 AromaticContact CG-CD1 3.36Å; H36-Y62 AromaticContact CG-CE1 3.66Å; H36-Y62 AromaticContact ND1-CD1 3.62Å; H36-Y62 AromaticContact NE2-CD1 3.46Å; H36-Y62 WeakPolarHBondContact NE2-CD1 3.31Å; H36-Y62 AromaticContact NE2-CG 3.94Å; H36-Y65 VanDerWaalsContact ND1-CB 3.27Å; H36-Y65 WeakPolarHBondContact ND1-CB 3.39Å; H36-Y65 AromaticContact ND1-CG 3.75Å; H36-N66 PolarHBondContact CE1-OD1 3.31Å; H36-N66 VanDerWaalsContact CE1-OD1 3.29Å
37S82.1Confident83.4Confident38 Ų3870.8 Ų70.827%0.26639%0.385SS..  trans-63.9126.7-179.8-79.70000112.2F32 T35 V39 L40 Y65F32-S37 PolarHBondContact O-N 3.4Å; T35-S37 VanDerWaalsContact C-N 3.34Å; T35-S37 PolarHBondContact O-N 2.89Å; S37-V39 PolarHBondContact O-N 3.44Å; S37-V39 VanDerWaalsContact O-N 3.13Å; S37-L40 PolarHBondContact O-N 3.22Å; S37-Y65 PolarHBondContact O-OH 3.34Å
38A76.9Confident82Confident80 Ų8077 Ų7766%0.66141%0.409SS*.G310 helixtrans-62.3-20.8179.500000114.4H36 L40 I41H36-A38 PolarHBondContact O-N 3.28Å; A38-L40 VanDerWaalsContact C-N 3.26Å; A38-L40 PolarHBondContact O-N 2.97Å; A38-I41 WeakPolarHBondContact O-CB 3.38Å; A38-I41 WeakPolarHBondContact O-CG2 3.49Å; A38-I41 PolarHBondContact O-N 3.49Å
39V83.5Confident80.6Confident127 Ų12778 Ų7877%0.7741%0.412SS*.G310 helixtrans-65.3-28.9174.7156.10000112.5S37 I41S37-V39 PolarHBondContact O-N 3.44Å; S37-V39 VanDerWaalsContact O-N 3.13Å; V39-I41 VanDerWaalsContact C-N 3.31Å
40L80.6Confident79.3Confident16 Ų1678.3 Ų78.38%0.08441%0.414CS..G310 helixtrans-94.814-175.6-108.660.2000112.7L29 F32 F33 S37 A38 E42 D43 Y65L29-L40 HydrophobicContact CD2-CD2 4.06Å; F32-L40 HydrophobicContact CB-CD2 3.96Å; F33-L40 HydrophobicContact CD1-CB 4.22Å; F33-L40 HydrophobicContact CD1-CD2 3.71Å; F33-L40 HydrophobicContact CD1-CG 4.36Å; F33-L40 HydrophobicContact CD2-CD2 3.59Å; F33-L40 HydrophobicContact CE1-CB 3.76Å; F33-L40 HydrophobicContact CE1-CD2 3.49Å; F33-L40 VanDerWaalsContact CE1-CD2 3.49Å; F33-L40 HydrophobicContact CE1-CG 3.75Å; F33-L40 HydrophobicContact CE2-CD2 3.36Å; F33-L40 HydrophobicContact CE2-CG 4.17Å; F33-L40 HydrophobicContact CG-CD2 3.73Å; F33-L40 HydrophobicContact CZ-CB 4.18Å; F33-L40 HydrophobicContact CZ-CD2 3.3Å; F33-L40 HydrophobicContact CZ-CG 3.63Å; S37-L40 PolarHBondContact O-N 3.22Å; A38-L40 VanDerWaalsContact C-N 3.26Å; A38-L40 PolarHBondContact O-N 2.97Å; L40-E42 VanDerWaalsContact C-N 3.34Å; L40-E42 PolarHBondContact O-N 3.06Å; L40-D43 PolarHBondContact O-N 3.22Å; L40-Y65 HydrophobicContact CB-CE1 4.37Å
41I78Confident77.9Confident79 Ų7985.4 Ų85.441%0.40545%0.449SS..G310 helixtrans-65.2-41.1-176.6-148.7157.5000110.4A38 V39 D43 V44 F46 Y65A38-I41 WeakPolarHBondContact O-CB 3.38Å; A38-I41 WeakPolarHBondContact O-CG2 3.49Å; A38-I41 PolarHBondContact O-N 3.49Å; V39-I41 VanDerWaalsContact C-N 3.31Å; I41-D43 PolarHBondContact O-N 3.31Å; I41-V44 PolarHBondContact O-N 3.33Å; I41-V44 VanDerWaalsContact O-N 3.09Å; I41-F46 HydrophobicContact CB-CE2 4.34Å; I41-F46 HydrophobicContact CB-CZ 4.31Å; I41-F46 HydrophobicContact CD1-CZ 4.37Å; I41-F46 HydrophobicContact CG1-CE1 4.48Å; I41-F46 HydrophobicContact CG1-CE2 3.53Å; I41-F46 HydrophobicContact CG1-CZ 3.32Å; I41-F46 WeakPolarHBondContact O-CE2 3.48Å; I41-F46 VanDerWaalsContact O-CZ 3.25Å; I41-F46 WeakPolarHBondContact O-CZ 3.45Å; I41-Y65 WeakPolarHBondContact CA-OH 3.42Å; I41-Y65 VanDerWaalsContact CB-OH 3.3Å; I41-Y65 WeakPolarHBondContact CB-OH 3.36Å; I41-Y65 WeakPolarHBondContact CG1-OH 3.46Å; I41-Y65 PolarHBondContact N-OH 3.29Å
42E76.4Confident76.5Confident183 Ų18388.7 Ų88.786%0.85546%0.462SS*.G310 helixtrans-64.7-23.2-179.4-58.9-174.8152.400113.8L40L40-E42 VanDerWaalsContact C-N 3.34Å; L40-E42 PolarHBondContact O-N 3.06Å
43D82.5Confident75Confident110 Ų11090.2 Ų90.259%0.58848%0.475SS*.G310 helixtrans-84.6-13.9178.4-68.2-48.4000113.1F33 L40 I41F33-D43 HydrophobicContact CE1-CB 4.33Å; F33-D43 HydrophobicContact CZ-CB 3.96Å; L40-D43 PolarHBondContact O-N 3.22Å; I41-D43 PolarHBondContact O-N 3.31Å
44V81.2Confident73.4Confident5 Ų596.8 Ų96.83%0.0351%0.51CS..SBendtrans-86.5126.1179176.10000108.8F33 I41 F46 L64 Y65F33-V44 HydrophobicContact CD1-CG2 4.22Å; F33-V44 HydrophobicContact CE1-CG2 3.84Å; I41-V44 PolarHBondContact O-N 3.33Å; I41-V44 VanDerWaalsContact O-N 3.09Å; V44-F46 VanDerWaalsContact C-N 3.31Å; V44-F46 HydrophobicContact CB-CD1 4.49Å; V44-F46 HydrophobicContact CB-CE1 3.74Å; V44-F46 HydrophobicContact CB-CE2 4.19Å; V44-F46 HydrophobicContact CB-CZ 3.52Å; V44-F46 HydrophobicContact CG1-CD1 3.92Å; V44-F46 HydrophobicContact CG1-CE1 3.36Å; V44-F46 HydrophobicContact CG1-CZ 3.74Å; V44-F46 HydrophobicContact CG2-CZ 4.45Å; V44-F46 WeakPolarHBondContact O-CD2 3.46Å; V44-F46 PolarHBondContact O-N 3.32Å; V44-L64 HydrophobicContact CG1-CB 3.85Å; V44-L64 HydrophobicContact CG1-CD2 3.79Å; V44-L64 HydrophobicContact CG1-CG 4.1Å; V44-Y65 HydrophobicContact CG2-CD1 4.06Å; V44-Y65 HydrophobicContact CG2-CD2 4.04Å; V44-Y65 HydrophobicContact CG2-CE1 3.96Å; V44-Y65 HydrophobicContact CG2-CE2 3.94Å; V44-Y65 HydrophobicContact CG2-CG 4.11Å
45P78.8Confident72.1Confident88 Ų88102.8 Ų102.857%0.57154%0.535SS*.  trans-75.881.9-176.831.1-35.7000110.7L64P45-L64 VanDerWaalsContact O-CD2 3.23Å; P45-L64 WeakPolarHBondContact O-CD2 3.5Å
46F76Confident70.8Confident81 Ų81105.9 Ų105.936%0.35554%0.543SS..  trans-69138.8173.5-53.3-59.8000110.6I41 V44 I61 L64 Y65I41-F46 HydrophobicContact CB-CE2 4.34Å; I41-F46 HydrophobicContact CB-CZ 4.31Å; I41-F46 HydrophobicContact CD1-CZ 4.37Å; I41-F46 HydrophobicContact CG1-CE1 4.48Å; I41-F46 HydrophobicContact CG1-CE2 3.53Å; I41-F46 HydrophobicContact CG1-CZ 3.32Å; I41-F46 WeakPolarHBondContact O-CE2 3.48Å; I41-F46 VanDerWaalsContact O-CZ 3.25Å; I41-F46 WeakPolarHBondContact O-CZ 3.45Å; V44-F46 VanDerWaalsContact C-N 3.31Å; V44-F46 HydrophobicContact CB-CD1 4.49Å; V44-F46 HydrophobicContact CB-CE1 3.74Å; V44-F46 HydrophobicContact CB-CE2 4.19Å; V44-F46 HydrophobicContact CB-CZ 3.52Å; V44-F46 HydrophobicContact CG1-CD1 3.92Å; V44-F46 HydrophobicContact CG1-CE1 3.36Å; V44-F46 HydrophobicContact CG1-CZ 3.74Å; V44-F46 HydrophobicContact CG2-CZ 4.45Å; V44-F46 WeakPolarHBondContact O-CD2 3.46Å; V44-F46 PolarHBondContact O-N 3.32Å; F46-I61 HydrophobicContact CE1-CG2 4.11Å; F46-L64 HydrophobicContact CD1-CD2 4.5Å; F46-Y65 HydrophobicContact CE1-CE2 4.5Å; F46-Y65 HydrophobicContact CZ-CE2 4.35Å
47K73.6Confident69.6Low123 Ų123106.6 Ų106.654%0.53555%0.553SS.*  trans-107.5145.5168.2-59175.887.3-162.50108.4E49 D50K47-E49 HydrophobicContact CB-CG 3.57Å; K47-E49 WeakPolarHBondContact CD-OE1 3.47Å; K47-E49 WeakPolarHBondContact CE-OE1 3.33Å; K47-E49 IonicContact NZ-OE1 2.65Å; K47-E49 PolarHBondContact NZ-OE1 3.32Å; K47-E49 PolarHBondContact O-N 3.47Å; K47-E49 VanDerWaalsContact O-N 3.1Å; K47-D50 PolarHBondContact N-OD2 3.36Å; K47-D50 WeakPolarHBondContact O-CB 3.44Å; K47-D50 PolarHBondContact O-N 2.94Å
48E63.5Low68.8Low160 Ų160107.9 Ų107.975%0.74856%0.561SS**Hα-helixtrans-61-23-178.3-58-164.3169.500112.9D50 M51 H52E48-D50 VanDerWaalsContact C-N 3.32Å; E48-M51 PolarHBondContact O-N 3.24Å; E48-H52 PolarHBondContact O-N 3.13Å; E48-H52 PolarHBondContact O-ND1 3.15Å
49E62.3Low68.6Low118 Ų118109 Ų10955%0.55155%0.552SS**Hα-helixtrans-65.1-28.7171.455.2-169.5-178.200113.6K47 M51K47-E49 HydrophobicContact CB-CG 3.57Å; K47-E49 WeakPolarHBondContact CD-OE1 3.47Å; K47-E49 WeakPolarHBondContact CE-OE1 3.33Å; K47-E49 IonicContact NZ-OE1 2.65Å; K47-E49 PolarHBondContact NZ-OE1 3.32Å; K47-E49 PolarHBondContact O-N 3.47Å; K47-E49 VanDerWaalsContact O-N 3.1Å; E49-M51 VanDerWaalsContact C-N 3.29Å
50D62.2Low68.3Low50 Ų50105 Ų10527%0.26753%0.529SS..Hα-helixtrans-77.2-17.4175.4-60.7-48.2000112.3K47 E48K47-D50 PolarHBondContact N-OD2 3.36Å; K47-D50 WeakPolarHBondContact O-CB 3.44Å; K47-D50 PolarHBondContact O-N 2.94Å; E48-D50 VanDerWaalsContact C-N 3.32Å
51M60.6Low68.2Low150 Ų150106.9 Ų106.974%0.73954%0.539SS*.Hα-helixtrans-91.3-22.6178.7-64.2-166.469.700113.6E48 E49E48-M51 PolarHBondContact O-N 3.24Å; E49-M51 VanDerWaalsContact C-N 3.29Å
52H60.5Low68.4Low155 Ų155108.3 Ų108.372%0.71854%0.54SS*.Hα-helixtrans-96.8-10.1-176.1-83.172.1000114.3E48 D54E48-H52 PolarHBondContact O-N 3.13Å; E48-H52 PolarHBondContact O-ND1 3.15Å; H52-D54 VanDerWaalsContact C-N 3.35Å; H52-D54 PolarHBondContact O-N 2.95Å; H52-D54 VanDerWaalsContact O-N 3.09Å
53N57.5Low68.7Low128 Ų128105.5 Ų105.568%0.68453%0.525SS*.  trans-87.178178.7-157.818.2000110.7Q55N53-Q55 PolarHBondContact O-N 3.39Å
54D53Low68.8Low145 Ų145101.9 Ų101.978%0.77551%0.506SS*.THydrogen-bonded Turntrans-66.512-162-124.8-23.5000117.4H52H52-D54 VanDerWaalsContact C-N 3.35Å; H52-D54 PolarHBondContact O-N 2.95Å; H52-D54 VanDerWaalsContact O-N 3.09Å
55Q57.2Low69.1Low179 Ų179102 Ų10284%0.83651%0.506SS*.THydrogen-bonded Turntrans-96.9-30-171.5-147.4164.49.700114.4N53N53-Q55 PolarHBondContact O-N 3.39Å
56E57.1Low69.5Low148 Ų148100.4 Ų100.469%0.69249%0.492SS*.  trans-153.374.7172.8-67.2-166.2121.600111.8H59E56-H59 PolarHBondContact O-N 2.97Å
57P58.2Low70.1Confident75 Ų75102.1 Ų102.149%0.48750%0.502SS..Hα-helixtrans-57.7-31.1-172.717.3-26.7000117I61P57-I61 WeakPolarHBondContact O-CD1 3.5Å
58P66Low70.9Confident66 Ų6697.7 Ų97.743%0.42948%0.484SS..Hα-helixtrans-76-26.7-175.624.4-29.3000113.6Y62P58-Y62 HydrophobicContact CB-CD2 4.03Å; P58-Y62 HydrophobicContact CB-CE2 3.54Å; P58-Y62 WeakPolarHBondContact O-CD2 3.28Å; P58-Y62 VanDerWaalsContact O-CG 3.29Å; P58-Y62 PolarHBondContact O-N 3.46Å; P58-Y62 VanDerWaalsContact O-N 3.09Å
59H72.7Confident72.2Confident104 Ų10490 Ų9048%0.48145%0.449SS..Hα-helixtrans-77.4-35.8-164.7-171.8-126.8000113.8E56 K63E56-H59 PolarHBondContact O-N 2.97Å; H59-K63 WeakPolarHBondContact CE1-CE 3.5Å; H59-K63 WeakPolarHBondContact O-CG 3.43Å; H59-K63 PolarHBondContact O-N 3.37Å
60S76.7Confident73.6Confident41 Ų4191.5 Ų91.529%0.28745%0.45SS..Hα-helixtrans-66-42174.354.80000111.3K63 L64S60-K63 WeakPolarHBondContact O-CB 3.17Å; S60-K63 PolarHBondContact O-N 3.27Å; S60-L64 PolarHBondContact O-N 3.35Å
61I78.4Confident75.1Confident56 Ų5693.6 Ų93.629%0.28746%0.461SS..Hα-helixtrans-62.9-46.7179.6-63.1176.7000110.7F46 P57 K63 L64 Y65F46-I61 HydrophobicContact CE1-CG2 4.11Å; P57-I61 WeakPolarHBondContact O-CD1 3.5Å; I61-K63 VanDerWaalsContact C-N 3.27Å; I61-K63 PolarHBondContact O-N 2.75Å; I61-L64 WeakPolarHBondContact O-CB 3.16Å; I61-L64 PolarHBondContact O-N 3.43Å; I61-L64 VanDerWaalsContact O-N 3.07Å; I61-Y65 HydrophobicContact CG2-CD2 3.85Å; I61-Y65 HydrophobicContact CG2-CE2 3.85Å; I61-Y65 WeakPolarHBondContact O-CD2 3.44Å; I61-Y65 PolarHBondContact O-N 3.02Å
62Y81.3Confident76.6Confident110 Ų11087.3 Ų87.343%0.43143%0.432SS..Hα-helixtrans-61.6-34177.9-68.9-47.8000113.2H36 P58 N66H36-Y62 HydrophobicContact CB-CD1 3.96Å; H36-Y62 HydrophobicContact CB-CE1 3.81Å; H36-Y62 AromaticContact CD2-CD1 3.26Å; H36-Y62 WeakPolarHBondContact CD2-CD1 3.24Å; H36-Y62 AromaticContact CD2-CE1 3.56Å; H36-Y62 AromaticContact CE1-CD1 3.67Å; H36-Y62 PolarHBondContact CE1-O 3.11Å; H36-Y62 AromaticContact CG-CD1 3.36Å; H36-Y62 AromaticContact CG-CE1 3.66Å; H36-Y62 AromaticContact ND1-CD1 3.62Å; H36-Y62 AromaticContact NE2-CD1 3.46Å; H36-Y62 WeakPolarHBondContact NE2-CD1 3.31Å; H36-Y62 AromaticContact NE2-CG 3.94Å; P58-Y62 HydrophobicContact CB-CD2 4.03Å; P58-Y62 HydrophobicContact CB-CE2 3.54Å; P58-Y62 WeakPolarHBondContact O-CD2 3.28Å; P58-Y62 VanDerWaalsContact O-CG 3.29Å; P58-Y62 PolarHBondContact O-N 3.46Å; P58-Y62 VanDerWaalsContact O-N 3.09Å; Y62-N66 WeakPolarHBondContact O-CB 3.03Å; Y62-N66 PolarHBondContact O-N 3.24Å
63K83.9Confident78.2Confident124 Ų12483.8 Ų83.854%0.53942%0.415SS..Hα-helixtrans-64.6-40.5173.6-72.6177.1-179.3178.70111.9H59 S60 I61 N66 Q67H59-K63 WeakPolarHBondContact CE1-CE 3.5Å; H59-K63 WeakPolarHBondContact O-CG 3.43Å; H59-K63 PolarHBondContact O-N 3.37Å; S60-K63 WeakPolarHBondContact O-CB 3.17Å; S60-K63 PolarHBondContact O-N 3.27Å; I61-K63 VanDerWaalsContact C-N 3.27Å; I61-K63 PolarHBondContact O-N 2.75Å; K63-N66 PolarHBondContact O-N 2.87Å; K63-Q67 WeakPolarHBondContact O-CB 3.28Å; K63-Q67 PolarHBondContact O-N 3.03Å
64L84.7Confident79.9Confident34 Ų3482.7 Ų82.718%0.17841%0.408CS..Hα-helixtrans-65.7-44.6178-126.466000111.8V44 P45 F46 S60 I61 N66 Q67 V68V44-L64 HydrophobicContact CG1-CB 3.85Å; V44-L64 HydrophobicContact CG1-CD2 3.79Å; V44-L64 HydrophobicContact CG1-CG 4.1Å; P45-L64 VanDerWaalsContact O-CD2 3.23Å; P45-L64 WeakPolarHBondContact O-CD2 3.5Å; F46-L64 HydrophobicContact CD1-CD2 4.5Å; S60-L64 PolarHBondContact O-N 3.35Å; I61-L64 WeakPolarHBondContact O-CB 3.16Å; I61-L64 PolarHBondContact O-N 3.43Å; I61-L64 VanDerWaalsContact O-N 3.07Å; L64-N66 PolarHBondContact O-N 2.96Å; L64-Q67 WeakPolarHBondContact O-CB 3.48Å; L64-Q67 PolarHBondContact O-N 3.04Å; L64-V68 WeakPolarHBondContact O-CG2 3.25Å; L64-V68 PolarHBondContact O-N 3.2Å
65Y86.6Confident81.8Confident7 Ų777.2 Ų77.23%0.02738%0.383CS..Hα-helixtrans-56.6-48.6172.4-93.6-90.5000112.1F33 H36 S37 L40 I41 V44 F46 I61 Q67 V68 G69F33-Y65 AromaticContact CD1-CD1 3.85Å; F33-Y65 HydrophobicContact CD1-CD1 3.85Å; F33-Y65 HydrophobicContact CD1-CE1 4.21Å; H36-Y65 VanDerWaalsContact ND1-CB 3.27Å; H36-Y65 WeakPolarHBondContact ND1-CB 3.39Å; H36-Y65 AromaticContact ND1-CG 3.75Å; S37-Y65 PolarHBondContact O-OH 3.34Å; L40-Y65 HydrophobicContact CB-CE1 4.37Å; I41-Y65 WeakPolarHBondContact CA-OH 3.42Å; I41-Y65 VanDerWaalsContact CB-OH 3.3Å; I41-Y65 WeakPolarHBondContact CB-OH 3.36Å; I41-Y65 WeakPolarHBondContact CG1-OH 3.46Å; I41-Y65 PolarHBondContact N-OH 3.29Å; V44-Y65 HydrophobicContact CG2-CD1 4.06Å; V44-Y65 HydrophobicContact CG2-CD2 4.04Å; V44-Y65 HydrophobicContact CG2-CE1 3.96Å; V44-Y65 HydrophobicContact CG2-CE2 3.94Å; V44-Y65 HydrophobicContact CG2-CG 4.11Å; F46-Y65 HydrophobicContact CE1-CE2 4.5Å; F46-Y65 HydrophobicContact CZ-CE2 4.35Å; I61-Y65 HydrophobicContact CG2-CD2 3.85Å; I61-Y65 HydrophobicContact CG2-CE2 3.85Å; I61-Y65 WeakPolarHBondContact O-CD2 3.44Å; I61-Y65 PolarHBondContact O-N 3.02Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.5Å; Y65-V68 PolarHBondContact O-N 3.15Å; Y65-G69 PolarHBondContact O-N 3.05Å
66N87.7Confident83.5Confident54 Ų5469.1 Ų69.129%0.28935%0.346SS..Hα-helixtrans-63.3-39.1178.4-80.4-16.5000111.7H36 Y62 K63 L64 G69 Y70H36-N66 PolarHBondContact CE1-OD1 3.31Å; H36-N66 VanDerWaalsContact CE1-OD1 3.29Å; Y62-N66 WeakPolarHBondContact O-CB 3.03Å; Y62-N66 PolarHBondContact O-N 3.24Å; K63-N66 PolarHBondContact O-N 2.87Å; L64-N66 PolarHBondContact O-N 2.96Å; N66-G69 PolarHBondContact O-N 3.35Å; N66-Y70 HydrophobicContact CB-CD2 4.45Å; N66-Y70 HydrophobicContact CB-CE2 4.35Å; N66-Y70 WeakPolarHBondContact O-CB 3.26Å; N66-Y70 WeakPolarHBondContact O-CD2 3.45Å; N66-Y70 PolarHBondContact O-N 2.86Å
67Q88.9Confident85.3Confident118 Ų11863.7 Ų63.755%0.55133%0.331SS*.Hα-helixtrans-61.6-47177.3-174.7172.7-90.500111.9K63 L64 Y65 Y70 N71K63-Q67 WeakPolarHBondContact O-CB 3.28Å; K63-Q67 PolarHBondContact O-N 3.03Å; L64-Q67 WeakPolarHBondContact O-CB 3.48Å; L64-Q67 PolarHBondContact O-N 3.04Å; Y65-Q67 VanDerWaalsContact C-N 3.31Å; Y65-Q67 PolarHBondContact O-N 3.5Å; Q67-Y70 PolarHBondContact O-N 2.9Å; Q67-N71 VanDerWaalsContact O-CG 3.23Å; Q67-N71 PolarHBondContact O-N 2.86Å; Q67-N71 VanDerWaalsContact O-N 3.1Å; Q67-N71 PolarHBondContact O-ND2 3.49Å; Q67-N71 PolarHBondContact O-OD1 3.06Å
68V89.6Confident87Confident29 Ų2964.9 Ų64.918%0.17633%0.332CS..Hα-helixtrans-64-43.9176.5178.50000110.6F33 L64 Y65 Y70 N71 C72F33-V68 HydrophobicContact CD1-CB 4.26Å; F33-V68 HydrophobicContact CD1-CG1 4.02Å; F33-V68 HydrophobicContact CD2-CG1 3.97Å; F33-V68 HydrophobicContact CE1-CB 4.4Å; F33-V68 HydrophobicContact CE1-CG1 3.81Å; F33-V68 HydrophobicContact CE2-CG1 3.76Å; F33-V68 HydrophobicContact CG-CB 4.48Å; F33-V68 HydrophobicContact CG-CG1 4.12Å; F33-V68 HydrophobicContact CZ-CG1 3.69Å; L64-V68 WeakPolarHBondContact O-CG2 3.25Å; L64-V68 PolarHBondContact O-N 3.2Å; Y65-V68 PolarHBondContact O-N 3.15Å; V68-Y70 PolarHBondContact O-N 2.91Å; V68-N71 WeakPolarHBondContact O-CB 3.37Å; V68-N71 PolarHBondContact O-N 3.1Å; V68-N71 VanDerWaalsContact O-N 3.16Å; V68-C72 PolarHBondContact O-N 3.43Å
69G90.6Very high88.2Confident0 Ų066 Ų660%033%0.328CS..Hα-helixtrans-58.3-45.5176.200000113.1Y65 N66 N71 C72 F73Y65-G69 PolarHBondContact O-N 3.05Å; N66-G69 PolarHBondContact O-N 3.35Å; G69-N71 VanDerWaalsContact C-N 3.33Å; G69-N71 PolarHBondContact O-N 3.16Å; G69-C72 WeakPolarHBondContact O-CB 3.48Å; G69-C72 PolarHBondContact O-N 3.37Å; G69-F73 WeakPolarHBondContact O-CD2 3.15Å; G69-F73 PolarHBondContact O-N 3.23Å
70Y91.8Very high89.1Confident148 Ų14864.8 Ų64.858%0.5833%0.328SS*.Hα-helixtrans-61.1-40.5175.2-81.7-61.2000112.2N66 Q67 V68 C72 F73 I74N66-Y70 HydrophobicContact CB-CD2 4.45Å; N66-Y70 HydrophobicContact CB-CE2 4.35Å; N66-Y70 WeakPolarHBondContact O-CB 3.26Å; N66-Y70 WeakPolarHBondContact O-CD2 3.45Å; N66-Y70 PolarHBondContact O-N 2.86Å; Q67-Y70 PolarHBondContact O-N 2.9Å; V68-Y70 PolarHBondContact O-N 2.91Å; Y70-C72 VanDerWaalsContact C-N 3.33Å; Y70-C72 PolarHBondContact O-N 3.45Å; Y70-F73 PolarHBondContact O-N 3.08Å; Y70-I74 VanDerWaalsContact O-CG1 3.28Å; Y70-I74 WeakPolarHBondContact O-CG1 3.41Å; Y70-I74 PolarHBondContact O-N 3.46Å
71N93.3Very high89.8Confident94 Ų9468.3 Ų68.350%0.50334%0.343SS..Hα-helixtrans-61.8-41.3175.6-66.8-15.9000111.6Q67 V68 G69 I74 A75Q67-N71 VanDerWaalsContact O-CG 3.23Å; Q67-N71 PolarHBondContact O-N 2.86Å; Q67-N71 VanDerWaalsContact O-N 3.1Å; Q67-N71 PolarHBondContact O-ND2 3.49Å; Q67-N71 PolarHBondContact O-OD1 3.06Å; V68-N71 WeakPolarHBondContact O-CB 3.37Å; V68-N71 PolarHBondContact O-N 3.1Å; V68-N71 VanDerWaalsContact O-N 3.16Å; G69-N71 VanDerWaalsContact C-N 3.33Å; G69-N71 PolarHBondContact O-N 3.16Å; N71-I74 PolarHBondContact O-N 2.9Å; N71-A75 WeakPolarHBondContact O-CB 3.39Å; N71-A75 PolarHBondContact O-N 2.86Å
72C93.2Very high90.3Very high18 Ų1868.6 Ų68.612%0.12235%0.347CS..Hα-helixtrans-62.3-41.9174.3-70.80000112.2L26 V68 G69 Y70 A75 A76L26-C72 HydrophobicContact CD2-CB 4.37Å; V68-C72 PolarHBondContact O-N 3.43Å; G69-C72 WeakPolarHBondContact O-CB 3.48Å; G69-C72 PolarHBondContact O-N 3.37Å; Y70-C72 VanDerWaalsContact C-N 3.33Å; Y70-C72 PolarHBondContact O-N 3.45Å; C72-A75 PolarHBondContact O-N 3.38Å; C72-A76 WeakPolarHBondContact O-CB 3.46Å; C72-A76 PolarHBondContact O-N 2.91Å
73F93Very high90.6Very high81 Ų8164.3 Ų64.336%0.35533%0.334SS..Hα-helixtrans-65.7-40.8176-77.5-62.2000112.8G30 I31 T34 G69 Y70 A76 G77G30-F73 VanDerWaalsContact C-CE2 3.45Å; G30-F73 VanDerWaalsContact C-CZ 3.48Å; G30-F73 WeakPolarHBondContact O-CE2 3.38Å; I31-F73 HydrophobicContact CG1-CE1 4.34Å; I31-F73 HydrophobicContact CG1-CZ 3.92Å; T34-F73 HydrophobicContact CG2-CE2 3.79Å; G69-F73 WeakPolarHBondContact O-CD2 3.15Å; G69-F73 PolarHBondContact O-N 3.23Å; Y70-F73 PolarHBondContact O-N 3.08Å; F73-A76 PolarHBondContact O-N 3.45Å; F73-G77 PolarHBondContact O-N 3.38Å
74I94.3Very high90.9Very high106 Ų10660.9 Ų60.954%0.54433%0.329SS..Hα-helixtrans-62.2-46.2174.9-67.2164.5000109.9Y70 N71 A76 G77 I78Y70-I74 VanDerWaalsContact O-CG1 3.28Å; Y70-I74 WeakPolarHBondContact O-CG1 3.41Å; Y70-I74 PolarHBondContact O-N 3.46Å; N71-I74 PolarHBondContact O-N 2.9Å; I74-A76 PolarHBondContact O-N 3.44Å; I74-G77 WeakPolarHBondContact O-CA 3.43Å; I74-G77 PolarHBondContact O-N 3.29Å; I74-G77 VanDerWaalsContact O-N 3.13Å; I74-I78 HydrophobicContact CG2-CD1 4.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.5Å; I74-I78 PolarHBondContact O-N 3.44Å
75A93.3Very high91Very high30 Ų3064.4 Ų64.425%0.24835%0.348CS..Hα-helixtrans-60-44.4176.500000111.8L26 N71 C72 G77 I78 Y79L26-A75 HydrophobicContact CD1-CB 4Å; L26-A75 HydrophobicContact CD2-CB 4.16Å; N71-A75 WeakPolarHBondContact O-CB 3.39Å; N71-A75 PolarHBondContact O-N 2.86Å; C72-A75 PolarHBondContact O-N 3.38Å; A75-G77 VanDerWaalsContact C-N 3.29Å; A75-G77 PolarHBondContact O-N 3.02Å; A75-I78 WeakPolarHBondContact O-CB 2.9Å; A75-I78 PolarHBondContact O-N 3.4Å; A75-I78 VanDerWaalsContact O-N 3.11Å; A75-Y79 VanDerWaalsContact O-CD2 3.31Å; A75-Y79 WeakPolarHBondContact O-CD2 3.46Å; A75-Y79 PolarHBondContact O-N 3.4Å
76A93.4Very high90.9Very high8 Ų864.7 Ų64.77%0.06635%0.35CS..Hα-helixtrans-57.4-43.1173.700000111.4L26 C72 F73 I74 I78 Y79 V80L26-A76 HydrophobicContact CB-CB 3.88Å; C72-A76 WeakPolarHBondContact O-CB 3.46Å; C72-A76 PolarHBondContact O-N 2.91Å; F73-A76 PolarHBondContact O-N 3.45Å; I74-A76 PolarHBondContact O-N 3.44Å; A76-I78 VanDerWaalsContact C-N 3.34Å; A76-I78 PolarHBondContact O-N 3.19Å; A76-Y79 PolarHBondContact O-N 3Å; A76-V80 WeakPolarHBondContact O-CG2 3.45Å; A76-V80 PolarHBondContact O-N 3.2Å
77G93.6Very high90.7Very high35 Ų3568.4 Ų68.436%0.36136%0.364SS..Hα-helixtrans-59-41.2174.100000113.3F73 I74 A75 V80 L81F73-G77 PolarHBondContact O-N 3.38Å; I74-G77 WeakPolarHBondContact O-CA 3.43Å; I74-G77 PolarHBondContact O-N 3.29Å; I74-G77 VanDerWaalsContact O-N 3.13Å; A75-G77 VanDerWaalsContact C-N 3.29Å; A75-G77 PolarHBondContact O-N 3.02Å; G77-V80 WeakPolarHBondContact O-CB 3.27Å; G77-V80 PolarHBondContact O-N 3.11Å; G77-L81 PolarHBondContact O-N 3.36Å
78I93.9Very high90.5Very high99 Ų9966 Ų6651%0.50836%0.36SS..Hα-helixtrans-62.4-44.3175.2-65.1167.6000110.6I74 A75 A76 V80 L81 V82I74-I78 HydrophobicContact CG2-CD1 4.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.5Å; I74-I78 PolarHBondContact O-N 3.44Å; A75-I78 WeakPolarHBondContact O-CB 2.9Å; A75-I78 PolarHBondContact O-N 3.4Å; A75-I78 VanDerWaalsContact O-N 3.11Å; A76-I78 VanDerWaalsContact C-N 3.34Å; A76-I78 PolarHBondContact O-N 3.19Å; I78-V80 VanDerWaalsContact C-N 3.3Å; I78-V80 PolarHBondContact O-N 3.5Å; I78-L81 WeakPolarHBondContact O-CB 3.37Å; I78-L81 PolarHBondContact O-N 3.2Å; I78-L81 VanDerWaalsContact O-N 3.13Å; I78-V82 HydrophobicContact CG2-CG2 4.35Å; I78-V82 WeakPolarHBondContact O-CG2 3.14Å; I78-V82 PolarHBondContact O-N 3.42Å
79Y91.5Very high90.1Very high90 Ų9066.6 Ų66.635%0.35336%0.361SS..Hα-helixtrans-62.5-34.6176.1-82.6-77000112.9L26 A75 A76 V82 A83L26-Y79 HydrophobicContact CD1-CD2 3.41Å; L26-Y79 VanDerWaalsContact CD1-CD2 3.41Å; L26-Y79 HydrophobicContact CD1-CE2 3.44Å; L26-Y79 VanDerWaalsContact CD1-CE2 3.44Å; A75-Y79 VanDerWaalsContact O-CD2 3.31Å; A75-Y79 WeakPolarHBondContact O-CD2 3.46Å; A75-Y79 PolarHBondContact O-N 3.4Å; A76-Y79 PolarHBondContact O-N 3Å; Y79-V82 PolarHBondContact O-N 3.13Å; Y79-A83 WeakPolarHBondContact O-CB 3.46Å; Y79-A83 PolarHBondContact O-N 3.43Å
80V92.1Very high89.6Confident78 Ų7869.2 Ų69.247%0.47337%0.374SS..Hα-helixtrans-62.5-44.8172172.90000111.2V23 A76 G77 I78 A83 A84V23-V80 HydrophobicContact CG1-CG2 4.08Å; V23-V80 HydrophobicContact CG2-CG2 3.63Å; A76-V80 WeakPolarHBondContact O-CG2 3.45Å; A76-V80 PolarHBondContact O-N 3.2Å; G77-V80 WeakPolarHBondContact O-CB 3.27Å; G77-V80 PolarHBondContact O-N 3.11Å; I78-V80 VanDerWaalsContact C-N 3.3Å; I78-V80 PolarHBondContact O-N 3.5Å; V80-A83 PolarHBondContact O-N 3.01Å; V80-A84 PolarHBondContact O-N 3.36Å
81L91.1Very high89.1Confident115 Ų11568.2 Ų68.260%0.60237%0.373SS*.Hα-helixtrans-62.6-43.2177.2-69.2175.7000111.6G77 I78 A84 L85G77-L81 PolarHBondContact O-N 3.36Å; I78-L81 WeakPolarHBondContact O-CB 3.37Å; I78-L81 PolarHBondContact O-N 3.2Å; I78-L81 VanDerWaalsContact O-N 3.13Å; L81-A84 PolarHBondContact O-N 3.4Å; L81-L85 VanDerWaalsContact O-CG 3.31Å; L81-L85 WeakPolarHBondContact O-CG 3.3Å; L81-L85 PolarHBondContact O-N 3.47Å
82V88.9Confident88.5Confident62 Ų6267.8 Ų67.838%0.37637%0.37SS..Hα-helixtrans-60.8-46175.8174.70000110.6I78 Y79 A84 L85 S86I78-V82 HydrophobicContact CG2-CG2 4.35Å; I78-V82 WeakPolarHBondContact O-CG2 3.14Å; I78-V82 PolarHBondContact O-N 3.42Å; Y79-V82 PolarHBondContact O-N 3.13Å; V82-A84 VanDerWaalsContact C-N 3.34Å; V82-A84 PolarHBondContact O-N 3.46Å; V82-L85 PolarHBondContact O-N 3Å; V82-S86 PolarHBondContact O-N 2.91Å; V82-S86 PolarHBondContact O-OG 2.89Å
83A87.9Confident87.6Confident20 Ų2068.2 Ų68.217%0.16537%0.371CS..Hα-helixtrans-58.7-43.9176.100000112.2Y79 V80 S86 F87Y79-A83 WeakPolarHBondContact O-CB 3.46Å; Y79-A83 PolarHBondContact O-N 3.43Å; V80-A83 PolarHBondContact O-N 3.01Å; A83-S86 PolarHBondContact O-N 2.92Å; A83-F87 WeakPolarHBondContact O-CB 3.43Å; A83-F87 PolarHBondContact O-N 3.22Å
84A88.8Confident86.7Confident53 Ų5369 Ų6944%0.43838%0.376SS..Hα-helixtrans-63.8-41.8177.400000111.9V80 L81 V82 F87 C88V80-A84 PolarHBondContact O-N 3.36Å; L81-A84 PolarHBondContact O-N 3.4Å; V82-A84 VanDerWaalsContact C-N 3.34Å; V82-A84 PolarHBondContact O-N 3.46Å; A84-F87 PolarHBondContact O-N 3.43Å; A84-C88 PolarHBondContact O-N 3.32Å; A84-C88 PolarHBondContact O-SG 3.38Å; A84-C88 VanDerWaalsContact O-SG 3.4Å
85L86.7Confident85.8Confident108 Ų10871.9 Ų71.957%0.56538%0.38SS*.Hα-helixtrans-64.7-44.7175.2-70.1176000111.6L81 V82 F87 C88 Q89L81-L85 VanDerWaalsContact O-CG 3.31Å; L81-L85 WeakPolarHBondContact O-CG 3.3Å; L81-L85 PolarHBondContact O-N 3.47Å; V82-L85 PolarHBondContact O-N 3Å; L85-F87 VanDerWaalsContact C-N 3.32Å; L85-F87 PolarHBondContact O-N 3.46Å; L85-C88 PolarHBondContact O-N 3.3Å; L85-Q89 VanDerWaalsContact O-CG 3.31Å; L85-Q89 WeakPolarHBondContact O-CG 3.3Å; L85-Q89 PolarHBondContact O-N 3.48Å
86S85.3Confident84.5Confident12 Ų1273.9 Ų73.98%0.08438%0.383CS..Hα-helixtrans-61.5-39.4175.4-63.80000111.9V82 A83 Q89 I90V82-S86 PolarHBondContact O-N 2.91Å; V82-S86 PolarHBondContact O-OG 2.89Å; A83-S86 PolarHBondContact O-N 2.92Å; S86-Q89 WeakPolarHBondContact O-CB 3.45Å; S86-Q89 PolarHBondContact O-N 3.33Å; S86-I90 WeakPolarHBondContact O-CG1 3.43Å; S86-I90 PolarHBondContact O-N 3.37Å
87F84.4Confident83.4Confident132 Ų13279.2 Ų79.258%0.57941%0.406SS*.Hα-helixtrans-63.5-45.5175.1-178.4-99.2000112.2I16 A83 A84 L85 Q89 I90 K91I16-F87 HydrophobicContact CD1-CB 4.33Å; A83-F87 WeakPolarHBondContact O-CB 3.43Å; A83-F87 PolarHBondContact O-N 3.22Å; A84-F87 PolarHBondContact O-N 3.43Å; L85-F87 VanDerWaalsContact C-N 3.32Å; L85-F87 PolarHBondContact O-N 3.46Å; F87-Q89 VanDerWaalsContact C-N 3.28Å; F87-Q89 PolarHBondContact O-N 3.02Å; F87-I90 PolarHBondContact O-N 3.01Å; F87-K91 PolarHBondContact O-N 3.43Å
88C84.9Confident81.9Confident69 Ų6984.8 Ų84.847%0.46642%0.418SS..Hα-helixtrans-58.5-40.7172.9-75.20000111.7A84 L85 K91 L92A84-C88 PolarHBondContact O-N 3.32Å; A84-C88 PolarHBondContact O-SG 3.38Å; A84-C88 VanDerWaalsContact O-SG 3.4Å; L85-C88 PolarHBondContact O-N 3.3Å; C88-K91 PolarHBondContact O-N 3.07Å; C88-L92 VanDerWaalsContact O-CG 3.31Å; C88-L92 WeakPolarHBondContact O-CG 3.45Å; C88-L92 PolarHBondContact O-N 3.32Å
89Q80.6Confident80.3Confident40 Ų4087 Ų8719%0.18743%0.428CS..Hα-helixtrans-64.2-42177-72.1177.541.100112.4L85 S86 F87 L92 N93L85-Q89 VanDerWaalsContact O-CG 3.31Å; L85-Q89 WeakPolarHBondContact O-CG 3.3Å; L85-Q89 PolarHBondContact O-N 3.48Å; S86-Q89 WeakPolarHBondContact O-CB 3.45Å; S86-Q89 PolarHBondContact O-N 3.33Å; F87-Q89 VanDerWaalsContact C-N 3.28Å; F87-Q89 PolarHBondContact O-N 3.02Å; Q89-L92 PolarHBondContact O-N 3.3Å; Q89-N93 WeakPolarHBondContact O-CB 3.45Å; Q89-N93 PolarHBondContact O-N 3.41Å
90I80.4Confident78.8Confident56 Ų5689.1 Ų89.129%0.28745%0.449SS..Hα-helixtrans-60.9-46.8175-69.3176000110.7A12 I16 S86 F87 L92 N93 H94A12-I90 HydrophobicContact CB-CD1 4.23Å; A12-I90 HydrophobicContact CB-CG1 3.7Å; I16-I90 HydrophobicContact CD1-CD1 3.4Å; S86-I90 WeakPolarHBondContact O-CG1 3.43Å; S86-I90 PolarHBondContact O-N 3.37Å; F87-I90 PolarHBondContact O-N 3.01Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 3.25Å; I90-N93 PolarHBondContact O-N 3.09Å; I90-H94 WeakPolarHBondContact O-CB 2.88Å; I90-H94 PolarHBondContact O-N 3.48Å
91K80.6Confident76.7Confident127 Ų12798.5 Ų98.555%0.55248%0.476SS*.Hα-helixtrans-61.2-40.5179.7-170.4-178.7-179.7178.60112.1F87 C88 R95F87-K91 PolarHBondContact O-N 3.43Å; C88-K91 PolarHBondContact O-N 3.07Å; K91-R95 WeakPolarHBondContact O-CG 3.38Å; K91-R95 PolarHBondContact O-N 3.13Å; K91-R95 VanDerWaalsContact O-N 3.16Å
92L79.6Confident76Confident84 Ų8497.7 Ų97.744%0.4447%0.47SS..Hα-helixtrans-70-39.9176.4-70.1173.2000112L5 C88 Q89 I90 R95 K96L5-L92 HydrophobicContact CD1-CB 4.29Å; C88-L92 VanDerWaalsContact O-CG 3.31Å; C88-L92 WeakPolarHBondContact O-CG 3.45Å; C88-L92 PolarHBondContact O-N 3.32Å; Q89-L92 PolarHBondContact O-N 3.3Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 3.25Å; L92-R95 PolarHBondContact O-N 2.83Å; L92-K96 PolarHBondContact O-N 3.18Å; L92-K96 VanDerWaalsContact O-N 3.08Å
93N75.4Confident75.3Confident28 Ų2899.5 Ų99.515%0.1548%0.475CS..Hα-helixtrans-65.1-41.6177.6-163.372.5000111.5P9 Q89 I90 R95 K96 E97P9-N93 WeakPolarHBondContact CB-ND2 3.23Å; P9-N93 VanDerWaalsContact CG-ND2 3.33Å; P9-N93 WeakPolarHBondContact CG-ND2 3.25Å; Q89-N93 WeakPolarHBondContact O-CB 3.45Å; Q89-N93 PolarHBondContact O-N 3.41Å; I90-N93 PolarHBondContact O-N 3.09Å; N93-R95 VanDerWaalsContact C-N 3.34Å; N93-R95 PolarHBondContact O-N 3.09Å; N93-K96 PolarHBondContact O-N 3.4Å; N93-E97 PolarHBondContact O-N 3.07Å; N93-E97 VanDerWaalsContact O-N 3.13Å
94H74.2Confident74.6Confident98 Ų98103.9 Ų103.945%0.45449%0.492SS..Hα-helixtrans-61.9-40.8175.2-159.1-123000111.5I90 K96 E97 Y98I90-H94 WeakPolarHBondContact O-CB 2.88Å; I90-H94 PolarHBondContact O-N 3.48Å; H94-K96 PolarHBondContact O-N 2.94Å; H94-E97 PolarHBondContact O-N 2.65Å; H94-Y98 AromaticContact CE1-CE2 3.33Å; H94-Y98 WeakPolarHBondContact CE1-CE2 3.5Å; H94-Y98 AromaticContact CE1-CZ 3.54Å; H94-Y98 PolarHBondContact CE1-OH 3.19Å; H94-Y98 AromaticContact CG-CE2 3.95Å; H94-Y98 AromaticContact ND1-CE2 3.36Å; H94-Y98 WeakPolarHBondContact ND1-CE2 3.37Å; H94-Y98 AromaticContact NE2-CE2 3.92Å; H94-Y98 AromaticContact NE2-CZ 3.97Å; H94-Y98 PolarHBondContact NE2-OH 3.24Å; H94-Y98 WeakPolarHBondContact O-CD2 3.18Å; H94-Y98 PolarHBondContact O-N 3.09Å
95R75.4Confident73.7Confident165 Ų165106.9 Ų106.962%0.62350%0.495SS*.Hα-helixtrans-63-37.6174.3-80-176166.5-117.3-2.1113.7K91 L92 N93K91-R95 WeakPolarHBondContact O-CG 3.38Å; K91-R95 PolarHBondContact O-N 3.13Å; K91-R95 VanDerWaalsContact O-N 3.16Å; L92-R95 PolarHBondContact O-N 2.83Å; N93-R95 VanDerWaalsContact C-N 3.34Å; N93-R95 PolarHBondContact O-N 3.09Å
96K66.6Low72.9Confident73 Ų73106.9 Ų106.932%0.31749%0.491SS..Hα-helixtrans-67.6-37.4176.9-72.7-177.3-179.6-175.60111.9L5 L92 N93 H94 Y98 M99 V100L5-K96 HydrophobicContact CD2-CD 4.48Å; L92-K96 PolarHBondContact O-N 3.18Å; L92-K96 VanDerWaalsContact O-N 3.08Å; N93-K96 PolarHBondContact O-N 3.4Å; H94-K96 PolarHBondContact O-N 2.94Å; K96-Y98 VanDerWaalsContact C-N 3.31Å; K96-Y98 PolarHBondContact O-N 3.39Å; K96-M99 HydrophobicContact CG-CE 4.44Å; K96-M99 PolarHBondContact O-N 2.89Å; K96-M99 VanDerWaalsContact O-N 3.14Å; K96-V100 WeakPolarHBondContact O-CG2 3.03Å; K96-V100 PolarHBondContact O-N 3.1Å
97E69.6Low72.1Confident119 Ų119113.2 Ų113.256%0.55652%0.518SS*.Hα-helixtrans-61.7-38.1179.2-147.4180129.200112.3N93 H94 M99N93-E97 PolarHBondContact O-N 3.07Å; N93-E97 VanDerWaalsContact O-N 3.13Å; H94-E97 PolarHBondContact O-N 2.65Å; E97-M99 VanDerWaalsContact C-N 3.34Å; E97-M99 PolarHBondContact O-N 3.27Å
98Y62.3Low71.2Confident153 Ų153111.9 Ų111.960%0.651%0.514SS*.Hα-helixtrans-71.5-19.9174.7-68.7-68.6000115.4H94 K96H94-Y98 AromaticContact CE1-CE2 3.33Å; H94-Y98 WeakPolarHBondContact CE1-CE2 3.5Å; H94-Y98 AromaticContact CE1-CZ 3.54Å; H94-Y98 PolarHBondContact CE1-OH 3.19Å; H94-Y98 AromaticContact CG-CE2 3.95Å; H94-Y98 AromaticContact ND1-CE2 3.36Å; H94-Y98 WeakPolarHBondContact ND1-CE2 3.37Å; H94-Y98 AromaticContact NE2-CE2 3.92Å; H94-Y98 AromaticContact NE2-CZ 3.97Å; H94-Y98 PolarHBondContact NE2-OH 3.24Å; H94-Y98 WeakPolarHBondContact O-CD2 3.18Å; H94-Y98 PolarHBondContact O-N 3.09Å; K96-Y98 VanDerWaalsContact C-N 3.31Å; K96-Y98 PolarHBondContact O-N 3.39Å
99M61Low70.2Confident146 Ų146115.2 Ų115.272%0.71952%0.518SS*.Hα-helixtrans-92.8-13.9-179.5-67.3-171.8-6100113K96 E97K96-M99 HydrophobicContact CG-CE 4.44Å; K96-M99 PolarHBondContact O-N 2.89Å; K96-M99 VanDerWaalsContact O-N 3.14Å; E97-M99 VanDerWaalsContact C-N 3.34Å; E97-M99 PolarHBondContact O-N 3.27Å
100V58.7Low69.3Low133 Ų133121.4 Ų121.481%0.80655%0.545SS*.Hα-helixtrans-96.4-8.8179.4176.80000111.5K96K96-V100 WeakPolarHBondContact O-CG2 3.03Å; K96-V100 PolarHBondContact O-N 3.1Å
101R47.7Very low68.3Low275 Ų275127.4 Ų127.4100%1.03857%0.569SS**  trans-110.40177.3-153.5-177.3-166.4119.32.5110.3

Retrieved 101 of 101 residues in 308 ms (Link to these results)