A0A077ZLH2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLH2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 150 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
1M32.2Very low36.6Very low149 Ų149134.6 Ų134.673%0.73473%0.734SS**  0115.80-175.1-177-17600108.4I3 S111M1-I3 HydrophobicContact CE-CD1 4.5Å; M1-I3 HydrophobicContact CE-CG1 4.08Å; M1-I3 HydrophobicContact CG-CG1 4.21Å; M1-I3 PolarHBondContact O-N 3.28Å; M1-I3 HydrophobicContact SD-CD1 4.5Å; M1-I3 HydrophobicContact SD-CG1 4.22Å; M1-S111 WeakPolarHBondContact CE-OG 3.49Å; M1-S111 PolarHBondContact SD-OG 3.39Å
2R24Very low38.6Very low235 Ų235132.4 Ų132.489%0.88774%0.735SS**  trans-88.398.3172.7-172.5-179.4-170.5175.22.2106.3S4R2-S4 VanDerWaalsContact C-N 3.29Å; R2-S4 PolarHBondContact O-N 2.96Å
3I31Very low40.6Very low96 Ų96124 Ų12449%0.49269%0.693SS.*  trans-74.294.8167.3-57.8176.8000105.3M1 L5M1-I3 HydrophobicContact CE-CD1 4.5Å; M1-I3 HydrophobicContact CE-CG1 4.08Å; M1-I3 HydrophobicContact CG-CG1 4.21Å; M1-I3 PolarHBondContact O-N 3.28Å; M1-I3 HydrophobicContact SD-CD1 4.5Å; M1-I3 HydrophobicContact SD-CG1 4.22Å; I3-L5 VanDerWaalsContact C-N 3.33Å; I3-L5 HydrophobicContact CG2-CD2 4.06Å; I3-L5 HydrophobicContact CG2-CG 4.03Å; I3-L5 PolarHBondContact O-N 3.04Å; I3-L5 VanDerWaalsContact O-N 3.11Å
4S26.3Very low43.2Very low86 Ų86121.2 Ų121.260%0.60168%0.676SS**  trans-78.488.6172.9-170.30000107.5R2 M6R2-S4 VanDerWaalsContact C-N 3.29Å; R2-S4 PolarHBondContact O-N 2.96Å; S4-M6 VanDerWaalsContact C-N 3.32Å; S4-M6 PolarHBondContact O-N 3.38Å
5L37.5Very low45.7Very low146 Ų146117.3 Ų117.376%0.76465%0.647SS**  trans-67.597.3167.6-67.6171.5000106.9I3 S7I3-L5 VanDerWaalsContact C-N 3.33Å; I3-L5 HydrophobicContact CG2-CD2 4.06Å; I3-L5 HydrophobicContact CG2-CG 4.03Å; I3-L5 PolarHBondContact O-N 3.04Å; I3-L5 VanDerWaalsContact O-N 3.11Å; L5-S7 PolarHBondContact O-N 3.11Å
6M28.6Very low47.9Very low168 Ų168114.8 Ų114.883%0.82863%0.633SS**  trans-61.3123.7172.2-69.9167.683.500107.4S4 S8S4-M6 VanDerWaalsContact C-N 3.32Å; S4-M6 PolarHBondContact O-N 3.38Å; M6-S8 PolarHBondContact O-N 2.97Å
7S37.9Very low50.1Low125 Ų125112 Ų11287%0.87462%0.619SS**  trans-63.496.9174.81650000108.6L5L5-S7 PolarHBondContact O-N 3.11Å
8S40.6Very low52.1Low92 Ų92107.7 Ų107.764%0.64359%0.593SS**  trans-101.8112.315857.80000107.3M6 D10M6-S8 PolarHBondContact O-N 2.97Å; S8-D10 PolarHBondContact O-N 2.69Å
9S42.7Very low53.8Low117 Ų117102.4 Ų102.482%0.81857%0.565SS**THydrogen-bonded Turntrans-52.7126.5171.343.80000110.8
10D47.7Very low55.4Low161 Ų161100.3 Ų100.386%0.86156%0.557SS**THydrogen-bonded Turntrans87.528.2159.7-133.120.1000120.4S8S8-D10 PolarHBondContact O-N 2.69Å
11D54.7Low56.9Low106 Ų10698.5 Ų98.557%0.56755%0.547SS*.  trans-125.850.2173.6-151.48.2000111.3A13 K148D11-A13 PolarHBondContact O-N 3.47Å; D11-K148 IonicContact OD1-NZ 2.79Å; D11-K148 PolarHBondContact OD1-NZ 3.1Å; D11-K148 VanDerWaalsContact OD1-NZ 3.1Å; D11-K148 IonicContact OD2-NZ 3.26Å; D11-K148 PolarHBondContact OD2-NZ 2.87Å
12S60.5Low59.3Low108 Ų10892.9 Ų92.976%0.75552%0.522SS*.  trans-61.1108.8179.165.10000109.1N14S12-N14 PolarHBondContact O-N 3.42Å; S12-N14 VanDerWaalsContact O-N 3.12Å
13A64.4Low62.2Low23 Ų2384.1 Ų84.119%0.1949%0.492CS..  trans-50.1122.1176.100000110D11 W15 A144D11-A13 PolarHBondContact O-N 3.47Å; A13-W15 VanDerWaalsContact C-N 3.29Å; A13-W15 HydrophobicContact CB-CD2 4.12Å; A13-W15 VanDerWaalsContact CB-CE2 3.48Å; A13-W15 HydrophobicContact CB-CH2 4.01Å; A13-W15 HydrophobicContact CB-CZ2 3.41Å; A13-W15 VanDerWaalsContact CB-CZ2 3.41Å; A13-W15 PolarHBondContact O-N 3.14Å; A13-W15 PolarHBondContact O-NE1 2.87Å; A13-A144 HydrophobicContact CB-CB 4.04Å
14N77.2Confident64.9Low85 Ų8583.7 Ų83.746%0.45549%0.491SS..  trans-85.974.3-175-165.7-22.4000109.9S12 D16 V17 F18S12-N14 PolarHBondContact O-N 3.42Å; S12-N14 VanDerWaalsContact O-N 3.12Å; N14-D16 PolarHBondContact O-N 3.16Å; N14-V17 HydrophobicContact CB-CB 4.3Å; N14-V17 HydrophobicContact CB-CG2 4.11Å; N14-V17 VanDerWaalsContact CG-CG2 3.42Å; N14-V17 WeakPolarHBondContact ND2-CG2 3.49Å; N14-V17 WeakPolarHBondContact O-CB 3.36Å; N14-V17 PolarHBondContact O-N 3.18Å; N14-V17 PolarHBondContact OD1-N 2.96Å; N14-F18 WeakPolarHBondContact O-CD2 3.23Å; N14-F18 PolarHBondContact O-N 3.05Å
15W80.2Confident67.7Low63 Ų6382.4 Ų82.424%0.23949%0.486CS..Hα-helixtrans-57-27.4179.5-47.5105.2000113.2A13 V17 F18 S19 A140 V141 A144 I145A13-W15 VanDerWaalsContact C-N 3.29Å; A13-W15 HydrophobicContact CB-CD2 4.12Å; A13-W15 VanDerWaalsContact CB-CE2 3.48Å; A13-W15 HydrophobicContact CB-CH2 4.01Å; A13-W15 HydrophobicContact CB-CZ2 3.41Å; A13-W15 VanDerWaalsContact CB-CZ2 3.41Å; A13-W15 PolarHBondContact O-N 3.14Å; A13-W15 PolarHBondContact O-NE1 2.87Å; W15-V17 VanDerWaalsContact C-N 3.34Å; W15-F18 HydrophobicContact CE3-CD2 4.35Å; W15-F18 PolarHBondContact O-N 3.12Å; W15-S19 VanDerWaalsContact O-CB 3.31Å; W15-S19 WeakPolarHBondContact O-CB 3.45Å; W15-S19 PolarHBondContact O-N 2.7Å; W15-A140 WeakPolarHBondContact CZ3-O 2.96Å; W15-V141 HydrophobicContact CD2-CG2 4.43Å; W15-V141 HydrophobicContact CE3-CB 4.36Å; W15-V141 HydrophobicContact CE3-CG2 4.39Å; W15-V141 WeakPolarHBondContact CH2-O 3.41Å; W15-V141 VanDerWaalsContact CZ3-C 3.45Å; W15-V141 HydrophobicContact CZ3-CB 4.41Å; W15-V141 HydrophobicContact CZ3-CG1 4.44Å; W15-V141 WeakPolarHBondContact CZ3-O 3.36Å; W15-A144 HydrophobicContact CD2-CB 4.13Å; W15-A144 HydrophobicContact CE3-CB 3.25Å; W15-A144 VanDerWaalsContact CH2-C 3.41Å; W15-A144 HydrophobicContact CH2-CB 3.39Å; W15-A144 HydrophobicContact CZ2-CB 4.21Å; W15-A144 VanDerWaalsContact CZ3-C 3.41Å; W15-A144 HydrophobicContact CZ3-CB 2.86Å; W15-I145 HydrophobicContact CH2-CB 4.45Å; W15-I145 HydrophobicContact CH2-CG1 3.7Å; W15-I145 VanDerWaalsContact CH2-N 3.27Å; W15-I145 HydrophobicContact CZ3-CG1 4.36Å; W15-I145 VanDerWaalsContact CZ3-N 3.33Å
16D81.8Confident69.8Low77 Ų7778 Ų7841%0.41246%0.462SS..Hα-helixtrans-63.8-41.8175.5-63.1-28.8000110.5N14 S19 S20N14-D16 PolarHBondContact O-N 3.16Å; D16-S19 PolarHBondContact O-N 3.46Å; D16-S20 PolarHBondContact O-N 3.36Å
17V85.5Confident72.3Confident67 Ų6777.3 Ų77.341%0.40646%0.457SS..Hα-helixtrans-62.3-47.4172.1172.50000110.8N14 W15 S19 S20 D21N14-V17 HydrophobicContact CB-CB 4.3Å; N14-V17 HydrophobicContact CB-CG2 4.11Å; N14-V17 VanDerWaalsContact CG-CG2 3.42Å; N14-V17 WeakPolarHBondContact ND2-CG2 3.49Å; N14-V17 WeakPolarHBondContact O-CB 3.36Å; N14-V17 PolarHBondContact O-N 3.18Å; N14-V17 PolarHBondContact OD1-N 2.96Å; W15-V17 VanDerWaalsContact C-N 3.34Å; V17-S19 PolarHBondContact O-N 2.9Å; V17-S20 WeakPolarHBondContact O-CB 3.44Å; V17-S20 PolarHBondContact O-N 3.34Å; V17-S20 VanDerWaalsContact O-N 3.15Å; V17-D21 PolarHBondContact O-N 2.93Å
18F84.7Confident74.5Confident35 Ų3578 Ų7815%0.15445%0.451CS..Hα-helixtrans-63.5-31.9179-65.6-62.2000113.3N14 W15 C22 A140 K143 A144 L147N14-F18 WeakPolarHBondContact O-CD2 3.23Å; N14-F18 PolarHBondContact O-N 3.05Å; W15-F18 HydrophobicContact CE3-CD2 4.35Å; W15-F18 PolarHBondContact O-N 3.12Å; F18-C22 VanDerWaalsContact O-CB 3.27Å; F18-C22 WeakPolarHBondContact O-CB 3.24Å; F18-C22 PolarHBondContact O-N 3.45Å; F18-A140 HydrophobicContact CB-CB 4.12Å; F18-K143 HydrophobicContact CB-CD 4.18Å; F18-K143 HydrophobicContact CD1-CD 3.55Å; F18-K143 HydrophobicContact CD1-CG 3.83Å; F18-K143 HydrophobicContact CE1-CD 4.37Å; F18-K143 HydrophobicContact CE1-CG 4.38Å; F18-K143 HydrophobicContact CG-CD 4.23Å; F18-K143 HydrophobicContact CG-CG 4.39Å; F18-A144 HydrophobicContact CD2-CB 3.27Å; F18-A144 HydrophobicContact CE1-CB 4.45Å; F18-A144 HydrophobicContact CE2-CB 3.09Å; F18-A144 HydrophobicContact CG-CB 4.07Å; F18-A144 HydrophobicContact CZ-CB 3.71Å; F18-L147 HydrophobicContact CD1-CD1 4.15Å; F18-L147 HydrophobicContact CE1-CD1 3.29Å; F18-L147 HydrophobicContact CZ-CD1 3.76Å
19S84.2Confident76.3Confident7 Ų777.4 Ų77.45%0.04945%0.451CS..Hα-helixtrans-69.4-43.7174.2-163.80000111.3W15 D16 V17 C22 L23 Q137W15-S19 VanDerWaalsContact O-CB 3.31Å; W15-S19 WeakPolarHBondContact O-CB 3.45Å; W15-S19 PolarHBondContact O-N 2.7Å; D16-S19 PolarHBondContact O-N 3.46Å; V17-S19 PolarHBondContact O-N 2.9Å; S19-C22 PolarHBondContact O-N 3.21Å; S19-L23 WeakPolarHBondContact O-CG 3.32Å; S19-L23 PolarHBondContact O-N 3.03Å; S19-Q137 PolarHBondContact OG-OE1 3.5Å
20S86.1Confident77.6Confident59 Ų5974.3 Ų74.341%0.41343%0.433SS..Hα-helixtrans-60.6-49.8173.8-166.70000111.2D16 V17 C22 L23 D24D16-S20 PolarHBondContact O-N 3.36Å; V17-S20 WeakPolarHBondContact O-CB 3.44Å; V17-S20 PolarHBondContact O-N 3.34Å; V17-S20 VanDerWaalsContact O-N 3.15Å; S20-C22 PolarHBondContact O-N 3.14Å; S20-L23 WeakPolarHBondContact O-CB 3.39Å; S20-L23 PolarHBondContact O-N 3.28Å; S20-L23 VanDerWaalsContact O-N 3.1Å; S20-D24 PolarHBondContact O-N 3.41Å
21D86.8Confident78.6Confident63 Ų6376.2 Ų76.234%0.33743%0.434SS..Hα-helixtrans-56.3-41.7177.1-69.6-7.9000111.9V17 D24 A25 K143V17-D21 PolarHBondContact O-N 2.93Å; D21-D24 PolarHBondContact O-N 3.05Å; D21-A25 VanDerWaalsContact O-CB 3.28Å; D21-A25 WeakPolarHBondContact O-CB 3.33Å; D21-A25 PolarHBondContact O-N 2.81Å; D21-K143 IonicContact OD2-NZ 3.1Å; D21-K143 PolarHBondContact OD2-NZ 3.04Å
22C83.4Confident78.8Confident32 Ų3277.4 Ų77.422%0.21644%0.44CS..Hα-helixtrans-70.7-37.3-179.6-168.40000111.1F18 S19 S20 A25 I26 L136F18-C22 VanDerWaalsContact O-CB 3.27Å; F18-C22 WeakPolarHBondContact O-CB 3.24Å; F18-C22 PolarHBondContact O-N 3.45Å; S19-C22 PolarHBondContact O-N 3.21Å; S20-C22 PolarHBondContact O-N 3.14Å; C22-A25 PolarHBondContact O-N 3.13Å; C22-I26 WeakPolarHBondContact O-CB 3.5Å; C22-I26 WeakPolarHBondContact O-CD1 3.46Å; C22-I26 WeakPolarHBondContact O-CG1 3.22Å; C22-I26 PolarHBondContact O-N 3.07Å; C22-L136 HydrophobicContact CB-CD1 3.56Å; C22-L136 VanDerWaalsContact SG-CD1 3.51Å
23L85.6Confident79Confident51 Ų5179.1 Ų79.127%0.26745%0.446SS..Hα-helixtrans-60.1-48.8171.4-82.9165.9000111.1S19 S20 A25 I26 H27 F37 L136S19-L23 WeakPolarHBondContact O-CG 3.32Å; S19-L23 PolarHBondContact O-N 3.03Å; S20-L23 WeakPolarHBondContact O-CB 3.39Å; S20-L23 PolarHBondContact O-N 3.28Å; S20-L23 VanDerWaalsContact O-N 3.1Å; L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3.23Å; L23-I26 PolarHBondContact O-N 3.49Å; L23-H27 WeakPolarHBondContact O-CB 3.37Å; L23-H27 PolarHBondContact O-N 3.06Å; L23-F37 HydrophobicContact CD2-CB 3.42Å; L23-F37 VanDerWaalsContact CD2-CB 3.42Å; L23-F37 HydrophobicContact CD2-CG 4.38Å; L23-L136 HydrophobicContact CD1-CD2 3.79Å; L23-L136 HydrophobicContact CD2-CD2 3.38Å; L23-L136 HydrophobicContact CG-CD1 4.19Å; L23-L136 HydrophobicContact CG-CD2 3.34Å; L23-L136 HydrophobicContact CG-CG 4.37Å
24D86.7Confident79.3Confident87 Ų8785.3 Ų85.347%0.46547%0.471SS..Hα-helixtrans-63-42.9179.8-66.9-25.3000110.9S20 D21 I26 H27 N28S20-D24 PolarHBondContact O-N 3.41Å; D21-D24 PolarHBondContact O-N 3.05Å; D24-I26 PolarHBondContact O-N 3.38Å; D24-H27 PolarHBondContact O-N 3.22Å; D24-N28 WeakPolarHBondContact O-CB 3.46Å; D24-N28 PolarHBondContact O-N 3.24Å; D24-N28 PolarHBondContact O-ND2 3.02Å
25A84.4Confident79.1Confident59 Ų5987.1 Ų87.149%0.48848%0.475SS..Hα-helixtrans-61.5-43.5175.700000112.1D21 C22 L23 A29D21-A25 VanDerWaalsContact O-CB 3.28Å; D21-A25 WeakPolarHBondContact O-CB 3.33Å; D21-A25 PolarHBondContact O-N 2.81Å; C22-A25 PolarHBondContact O-N 3.13Å; L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3.23Å; A25-A29 VanDerWaalsContact O-CB 3.24Å; A25-A29 WeakPolarHBondContact O-CB 3.49Å; A25-A29 PolarHBondContact O-N 3.31Å
26I82.1Confident79.1Confident52 Ų5287.6 Ų87.627%0.26749%0.488SS..Hα-helixtrans-66.3-44.6176.2-70.5166.2000110.2C22 L23 D24 N28 A29 A30 F37 L136C22-I26 WeakPolarHBondContact O-CB 3.5Å; C22-I26 WeakPolarHBondContact O-CD1 3.46Å; C22-I26 WeakPolarHBondContact O-CG1 3.22Å; C22-I26 PolarHBondContact O-N 3.07Å; L23-I26 PolarHBondContact O-N 3.49Å; D24-I26 PolarHBondContact O-N 3.38Å; I26-N28 VanDerWaalsContact C-N 3.3Å; I26-N28 PolarHBondContact O-N 3.02Å; I26-A29 CarbonylContact O-C 3.59Å; I26-A29 PolarHBondContact O-N 3.19Å; I26-A29 VanDerWaalsContact O-N 3.17Å; I26-A30 HydrophobicContact CG2-CB 4.5Å; I26-A30 WeakPolarHBondContact O-CA 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.43Å; I26-A30 PolarHBondContact O-N 3.26Å; I26-F37 HydrophobicContact CD1-CD1 4.49Å; I26-F37 HydrophobicContact CD1-CE1 4.22Å; I26-F37 HydrophobicContact CD1-CE2 4.33Å; I26-F37 HydrophobicContact CD1-CZ 4.13Å; I26-F37 HydrophobicContact CG2-CD2 3.94Å; I26-F37 HydrophobicContact CG2-CE2 3.63Å; I26-F37 HydrophobicContact CG2-CZ 4.34Å; I26-L136 HydrophobicContact CD1-CD1 4.14Å
27H81.6Confident79.2Confident155 Ų15586.2 Ų86.272%0.71848%0.478SS*.Hα-helixtrans-62.8-39.1-178.6-160.582.2000111.9L23 D24L23-H27 WeakPolarHBondContact O-CB 3.37Å; L23-H27 PolarHBondContact O-N 3.06Å; D24-H27 PolarHBondContact O-N 3.22Å
28N83.1Confident79.2Confident139 Ų13988.5 Ų88.574%0.74349%0.488SS*.Hα-helixtrans-72.2-31176.3-69.6-38.6000113D24 I26D24-N28 WeakPolarHBondContact O-CB 3.46Å; D24-N28 PolarHBondContact O-N 3.24Å; D24-N28 PolarHBondContact O-ND2 3.02Å; I26-N28 VanDerWaalsContact C-N 3.3Å; I26-N28 PolarHBondContact O-N 3.02Å
29A78.8Confident79.1Confident80 Ų8091.3 Ų91.366%0.66150%0.498SS*.Hα-helixtrans-87.1-27.4179.400000113.4A25 I26 K31A25-A29 VanDerWaalsContact O-CB 3.24Å; A25-A29 WeakPolarHBondContact O-CB 3.49Å; A25-A29 PolarHBondContact O-N 3.31Å; I26-A29 CarbonylContact O-C 3.59Å; I26-A29 PolarHBondContact O-N 3.19Å; I26-A29 VanDerWaalsContact O-N 3.17Å; A29-K31 PolarHBondContact O-N 2.98Å; A29-K31 VanDerWaalsContact O-N 3.16Å
30A69.7Low78.9Confident52 Ų5292.3 Ų92.343%0.4350%0.504SS..  trans-71.4109.6-174.600000109.9I26 D32I26-A30 HydrophobicContact CG2-CB 4.5Å; I26-A30 WeakPolarHBondContact O-CA 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.43Å; I26-A30 PolarHBondContact O-N 3.26Å; A30-D32 VanDerWaalsContact C-N 3.32Å
31K68.2Low78.4Confident201 Ų20194.6 Ų94.687%0.87452%0.52SS*.SBendtrans-80.6-20.7161.1-65-177.9-179.1178.10111.6A29A29-K31 PolarHBondContact O-N 2.98Å; A29-K31 VanDerWaalsContact O-N 3.16Å
32D59.4Low77.6Confident131 Ų13196.6 Ų96.670%0.70153%0.534SS*.  trans-111.9132.8-172.9-65.4-37000111.4A30 E34A30-D32 VanDerWaalsContact C-N 3.32Å; D32-E34 VanDerWaalsContact C-N 3.34Å
33T64.6Low76.5Confident144 Ų144100.6 Ų100.688%0.88355%0.554SS**  trans-93.819.3-17851.60000113.3F35T33-F35 VanDerWaalsContact C-N 3.27Å; T33-F35 PolarHBondContact O-N 3.03Å
34E71.4Confident74.8Confident153 Ų153103.5 Ų103.572%0.71557%0.573SS**SBendtrans-64.7-29-170.7-167.7178.8-179.200113.2D32D32-E34 VanDerWaalsContact C-N 3.34Å
35F72.9Confident72.7Confident123 Ų123105.7 Ų105.754%0.53959%0.585SS.*  trans-125.1129-175.8-58-73.4000112.1T33 F37 P132T33-F35 VanDerWaalsContact C-N 3.27Å; T33-F35 PolarHBondContact O-N 3.03Å; F35-F37 HydrophobicContact CB-CE2 4.15Å; F35-F37 HydrophobicContact CB-CZ 4.45Å; F35-P132 HydrophobicContact CB-CB 4.23Å; F35-P132 HydrophobicContact CB-CG 4.09Å; F35-P132 HydrophobicContact CD1-CG 4Å; F35-P132 HydrophobicContact CG-CG 4.43Å
36S80.6Confident70.8Confident73 Ų73106.6 Ų106.651%0.5160%0.6SS.*  trans-91.5120.1167.4-167.70000109.7N38 P132S36-N38 VanDerWaalsContact C-N 3.28Å; S36-N38 PolarHBondContact OG-N 3.18Å; S36-N38 PolarHBondContact OG-ND2 3.23Å; S36-P132 WeakPolarHBondContact O-CB 3.41Å
37F83.7Confident69.1Low48 Ų48111.2 Ų111.221%0.21162%0.621CS.*  trans-88.74.1173.2-67.7-85.4000112.9L23 I26 F35 P132 Y133 L136L23-F37 HydrophobicContact CD2-CB 3.42Å; L23-F37 VanDerWaalsContact CD2-CB 3.42Å; L23-F37 HydrophobicContact CD2-CG 4.38Å; I26-F37 HydrophobicContact CD1-CD1 4.49Å; I26-F37 HydrophobicContact CD1-CE1 4.22Å; I26-F37 HydrophobicContact CD1-CE2 4.33Å; I26-F37 HydrophobicContact CD1-CZ 4.13Å; I26-F37 HydrophobicContact CG2-CD2 3.94Å; I26-F37 HydrophobicContact CG2-CE2 3.63Å; I26-F37 HydrophobicContact CG2-CZ 4.34Å; F35-F37 HydrophobicContact CB-CE2 4.15Å; F35-F37 HydrophobicContact CB-CZ 4.45Å; F37-P132 HydrophobicContact CD1-CB 3.74Å; F37-P132 WeakPolarHBondContact CD1-O 3.45Å; F37-P132 HydrophobicContact CE1-CB 3.82Å; F37-P132 HydrophobicContact CG-CB 4.24Å; F37-P132 HydrophobicContact CZ-CB 4.38Å; F37-Y133 WeakPolarHBondContact O-CD2 3.33Å; F37-L136 HydrophobicContact CB-CD2 3.98Å; F37-L136 HydrophobicContact CD1-CB 3.8Å; F37-L136 HydrophobicContact CD1-CD2 4.46Å; F37-L136 HydrophobicContact CE1-CB 4.44Å
38N84.2Confident67Low114 Ų114112.4 Ų112.461%0.6163%0.626SS**SBendtrans-68.5147.1173.7-66.8-33.7000109.7S36 P40S36-N38 VanDerWaalsContact C-N 3.28Å; S36-N38 PolarHBondContact OG-N 3.18Å; S36-N38 PolarHBondContact OG-ND2 3.23Å; N38-P40 VanDerWaalsContact O-CD 3.23Å; N38-P40 WeakPolarHBondContact O-CD 2.9Å
39R83Confident64.8Low94 Ų94111.4 Ų111.436%0.35563%0.628SS.*PPolyproline II helixtrans-58.5120.4174.1-176.2-178.8-177.3133.9-14.8109.7S58 W130 Y133R39-S58 PolarHBondContact NH1-O 3.34Å; R39-S58 PolarHBondContact NH2-O 3.44Å; R39-W130 HydrophobicContact CG-CH2 3.86Å; R39-W130 HydrophobicContact CG-CZ3 3.99Å; R39-Y133 HydrophobicContact CB-CD1 4.48Å; R39-Y133 HydrophobicContact CB-CD2 4.02Å; R39-Y133 HydrophobicContact CB-CE1 4.22Å; R39-Y133 HydrophobicContact CB-CE2 3.75Å; R39-Y133 HydrophobicContact CB-CG 4.37Å; R39-Y133 HydrophobicContact CG-CD1 4.36Å; R39-Y133 HydrophobicContact CG-CE1 3.94Å; R39-Y133 HydrophobicContact CG-CE2 4.34Å
40P80.4Confident63.1Low28 Ų28111.9 Ų111.918%0.18263%0.632CS.*PPolyproline II helixtrans-70.4159.2176.9-16.230.5000111.6N38 D129 W130N38-P40 VanDerWaalsContact O-CD 3.23Å; N38-P40 WeakPolarHBondContact O-CD 2.9Å; P40-D129 HydrophobicContact CB-CB 4.41Å; P40-D129 HydrophobicContact CG-CB 4.27Å; P40-D129 WeakPolarHBondContact CG-O 3.2Å; P40-W130 HydrophobicContact CB-CD2 4.25Å; P40-W130 HydrophobicContact CB-CG 4.35Å; P40-W130 HydrophobicContact CB-CZ2 4.26Å; P40-W130 HydrophobicContact CG-CB 4.41Å; P40-W130 HydrophobicContact CG-CD2 3.85Å; P40-W130 HydrophobicContact CG-CE3 4.41Å; P40-W130 HydrophobicContact CG-CG 3.84Å; P40-W130 WeakPolarHBondContact O-CH2 3.48Å; P40-W130 WeakPolarHBondContact O-CZ2 3.28Å
41S76.7Confident61.7Low108 Ų108119.9 Ų119.976%0.75565%0.651SS**PPolyproline II helixtrans-61.7143168.1-62.40000110N43S41-N43 PolarHBondContact O-N 3.05Å; S41-N43 VanDerWaalsContact O-N 3.12Å
42V68.3Low60.2Low104 Ų104115.8 Ų115.863%0.6365%0.647SS**PPolyproline II helixtrans-63.4117169.4-178.80000106.7V44 W130V42-V44 WeakPolarHBondContact O-CG2 3.4Å; V42-V44 PolarHBondContact O-N 2.99Å; V42-W130 HydrophobicContact CG2-CZ2 4.4Å
43N60.4Low59.3Low117 Ų117115.8 Ų115.863%0.62665%0.647SS**  trans-71.2108.6179.7-158.32.2000108.4S41 D45S41-N43 PolarHBondContact O-N 3.05Å; S41-N43 VanDerWaalsContact O-N 3.12Å; N43-D45 PolarHBondContact ND2-OD2 3.42Å; N43-D45 PolarHBondContact O-N 3.4Å; N43-D45 PolarHBondContact OD1-OD2 3.23Å
44V51.4Low58Low112 Ų112114 Ų11468%0.67964%0.638SS**  trans-94.733.1177.7-141.30000109.8V42 G46V42-V44 WeakPolarHBondContact O-CG2 3.4Å; V42-V44 PolarHBondContact O-N 2.99Å; V44-G46 PolarHBondContact O-N 3.5Å
45D41.8Very low56.7Low133 Ų133111.2 Ų111.271%0.71164%0.641SS**SBendtrans-72.9100179.1-82.2-21.9000110.3N43 Q47N43-D45 PolarHBondContact ND2-OD2 3.42Å; N43-D45 PolarHBondContact O-N 3.4Å; N43-D45 PolarHBondContact OD1-OD2 3.23Å; D45-Q47 PolarHBondContact O-N 2.64Å
46G45.2Very low55.5Low78 Ų78110 Ų11080%0.80464%0.644SS**SBendtrans93.5-13.6158.400000117.4V44 Q48V44-G46 PolarHBondContact O-N 3.5Å; G46-Q48 PolarHBondContact O-N 2.84Å
47Q45.2Very low53.9Low149 Ų149113.5 Ų113.570%0.69666%0.656SS**  trans-96.194.9172.1-70.4-173.1-31.900109.9D45D45-Q47 PolarHBondContact O-N 2.64Å
48Q39Very low52.4Low179 Ų179114.4 Ų114.484%0.83667%0.669SS**  trans-31.6136168.1-154.9149.89.400111.5G46 A50G46-Q48 PolarHBondContact O-N 2.84Å; Q48-A50 PolarHBondContact O-N 3.14Å
49P37Very low51.3Low119 Ų119117.3 Ų117.377%0.77368%0.679SS**  trans-67.181.9-167.528.2-34.8000110.4R51P49-R51 VanDerWaalsContact C-N 3.3Å; P49-R51 PolarHBondContact O-N 2.91Å
50A42Very low50.6Low90 Ų90120 Ų12074%0.74469%0.693SS**  trans-74.394.3173.800000106.4Q48Q48-A50 PolarHBondContact O-N 3.14Å
51R39.7Very low50.3Low219 Ų219120.8 Ų120.883%0.82670%0.699SS**SBendtrans73.1112.9172.5-57.8174.9172.2177.7-3.7112.2P49 N53P49-R51 VanDerWaalsContact C-N 3.3Å; P49-R51 PolarHBondContact O-N 2.91Å; R51-N53 PolarHBondContact O-N 3.4Å
52S37.1Very low50.6Low115 Ų115124.7 Ų124.780%0.80470%0.697SS**  trans-42.982.8157.153.60000110.6P54S52-P54 VanDerWaalsContact O-CD 3.3Å; S52-P54 WeakPolarHBondContact O-CD 3.46Å; S52-P54 VanDerWaalsContact O-N 3.15Å
53N40.2Very low51.5Low132 Ų132125.3 Ų125.371%0.70670%0.696SS**  trans-67.4109.3157.3-81.3-23.1000103.6R51 A55R51-N53 PolarHBondContact O-N 3.4Å; N53-A55 PolarHBondContact O-N 3Å; N53-A55 VanDerWaalsContact O-N 3.08Å
54P37Very low52.9Low107 Ų107124.8 Ų124.870%0.69569%0.69SS**  trans-55.1124.9-173.324.5-31.9000105.7S52 V56S52-P54 VanDerWaalsContact O-CD 3.3Å; S52-P54 WeakPolarHBondContact O-CD 3.46Å; S52-P54 VanDerWaalsContact O-N 3.15Å; P54-V56 WeakPolarHBondContact O-CA 3.11Å; P54-V56 PolarHBondContact O-N 3.31Å
55A44Very low54.8Low93 Ų93127 Ų12777%0.76970%0.697SS**  trans-21.187.3-177.800000109.5N53 N57N53-A55 PolarHBondContact O-N 3Å; N53-A55 VanDerWaalsContact O-N 3.08Å; A55-N57 VanDerWaalsContact C-N 3.33Å; A55-N57 PolarHBondContact O-N 3.24Å
56V47.8Very low57.2Low98 Ų98122.3 Ų122.359%0.59468%0.68SS**  trans-56.9112.9-178.8155.80000100.6P54 S58P54-V56 WeakPolarHBondContact O-CA 3.11Å; P54-V56 PolarHBondContact O-N 3.31Å; V56-S58 WeakPolarHBondContact O-CA 3.33Å; V56-S58 WeakPolarHBondContact O-CB 3.4Å; V56-S58 PolarHBondContact O-N 2.83Å
57N46.8Very low59.3Low146 Ų146121.8 Ų121.878%0.78166%0.663SS**  trans-42.492.9-171.1-85.3-20.9000107.8A55 E59A55-N57 VanDerWaalsContact C-N 3.33Å; A55-N57 PolarHBondContact O-N 3.24Å; N57-E59 PolarHBondContact O-N 3.02Å
58S53.3Low61.5Low67 Ų67117.5 Ų117.547%0.46964%0.644SS.*THydrogen-bonded Turntrans-79.1-10.7-144.192.60000110R39 V56 K60R39-S58 PolarHBondContact NH1-O 3.34Å; R39-S58 PolarHBondContact NH2-O 3.44Å; V56-S58 WeakPolarHBondContact O-CA 3.33Å; V56-S58 WeakPolarHBondContact O-CB 3.4Å; V56-S58 PolarHBondContact O-N 2.83Å; S58-K60 VanDerWaalsContact C-N 3.27Å; S58-K60 PolarHBondContact O-N 3.41Å
59E61Low63.8Low176 Ų176109.4 Ų109.482%0.82261%0.607SS**THydrogen-bonded Turntrans-66.2-27-172.7-58.6-175.3168.200112.9N57N57-E59 PolarHBondContact O-N 3.02Å
60K69.1Low66Low151 Ų151105.6 Ų105.666%0.65759%0.586SS**SBendtrans-91.9123.1-173.9-63.3-168.6179.3-172.70112.7S58S58-K60 VanDerWaalsContact C-N 3.27Å; S58-K60 PolarHBondContact O-N 3.41Å
61S73.4Confident67.6Low43 Ų43102.5 Ų102.530%0.30156%0.559SS.*  trans-62.2139.5169.7-68.30000110.6Y133 Q137S61-Y133 PolarHBondContact OG-OH 3.36Å; S61-Y133 VanDerWaalsContact OG-OH 3.06Å; S61-Q137 VanDerWaalsContact CB-NE2 3.31Å; S61-Q137 PolarHBondContact OG-NE2 2.94Å
62R82.9Confident69.3Low190 Ų19097.3 Ų97.372%0.71754%0.542SS*.  trans-106.3131.7179.9-63.5-177.371-1611110.4
63L86.9Confident71Confident117 Ų11798 Ų9861%0.61354%0.535SS*.  trans-95.6125.3171.3-176.364.2000109.3V141L63-V141 HydrophobicContact CD1-CG1 4.18Å; L63-V141 HydrophobicContact CD1-CG2 4.26Å
64H89.2Confident72.5Confident107 Ų10792.6 Ų92.650%0.49551%0.507SS..  trans-111.3126.2173.3-54.8110.6000108.7I91H64-I91 HydrophobicContact CB-CD1 3.86Å
65L91.1Very high74.1Confident158 Ų15891.4 Ų91.483%0.82749%0.491SS*.  trans-113.7126178.4-178.367.4000109.4
66G92.3Very high75.6Confident34 Ų3495.2 Ų95.235%0.35149%0.491SS..SBendtrans167.4175.1-179.300000111.7
67P91.2Very high77.2Confident68 Ų6895.7 Ų95.744%0.44249%0.486SS..  trans-68.8135.1178.127.5-30.6000110.7F88 G89 L90 I91P67-F88 WeakPolarHBondContact CG-O 3.08Å; P67-G89 WeakPolarHBondContact CD-O 3.43Å; P67-G89 VanDerWaalsContact CG-O 3.22Å; P67-G89 WeakPolarHBondContact CG-O 3.47Å; P67-L90 HydrophobicContact CB-CD2 4.03Å; P67-L90 HydrophobicContact CG-CD2 4.25Å; P67-L90 WeakPolarHBondContact O-CA 3.41Å; P67-I91 WeakPolarHBondContact O-CG1 3.4Å; P67-I91 PolarHBondContact O-N 2.97Å
68I89.7Confident79Confident59 Ų5993.9 Ų93.930%0.30347%0.473SS..EExtended strand (participates in β ladder)trans-110.7129175.7-56.3-178.8000107.2I91 A92 D94 L114I68-I91 HydrophobicContact CG1-CG1 4.48Å; I68-A92 WeakPolarHBondContact CA-O 3.3Å; I68-A92 HydrophobicContact CG1-CB 4.23Å; I68-A92 HydrophobicContact CG2-CB 4.18Å; I68-D94 HydrophobicContact CG2-CB 4.41Å; I68-L114 HydrophobicContact CD1-CD2 4.15Å
69A88Confident80.6Confident8 Ų896.3 Ų96.37%0.06649%0.485CS..EExtended strand (participates in β ladder)trans-87140175.700000111.8F84 L90 A92 F93 D94A69-F84 HydrophobicContact CB-CD1 4.42Å; A69-F84 HydrophobicContact CB-CE1 3.92Å; A69-L90 HydrophobicContact CB-CD1 3.4Å; A69-L90 HydrophobicContact CB-CD2 4.01Å; A69-L90 HydrophobicContact CB-CG 4.27Å; A69-A92 PolarHBondContact N-O 3.15Å; A69-F93 HydrophobicContact CB-CD1 3.58Å; A69-F93 HydrophobicContact CB-CE1 3.67Å; A69-F93 HydrophobicContact CB-CG 4.35Å; A69-F93 HydrophobicContact CB-CZ 4.5Å; A69-F93 CarbonylContact O-C 3.49Å; A69-F93 WeakPolarHBondContact O-CA 3.28Å; A69-D94 PolarHBondContact O-N 2.91Å
70A83.8Confident81.9Confident39 Ų3992.6 Ų92.632%0.32247%0.47SS..  trans-107.9108.8169.100000109.2D94 F97 D98 I101A70-D94 WeakPolarHBondContact CA-O 3.11Å; A70-F97 HydrophobicContact CB-CB 4.19Å; A70-D98 HydrophobicContact CB-CB 4.37Å; A70-I101 HydrophobicContact CB-CG1 4.5Å
71S75.8Confident82.7Confident25 Ų2587.5 Ų87.518%0.17545%0.448CS..  trans-163.5133.4174.9-174.90000111.1I73 V74 F75S71-I73 PolarHBondContact OG-N 2.97Å; S71-V74 WeakPolarHBondContact OG-CG2 3.22Å; S71-V74 PolarHBondContact OG-N 3.35Å; S71-F75 WeakPolarHBondContact O-CD2 3.36Å; S71-F75 VanDerWaalsContact O-CE2 3.3Å; S71-F75 WeakPolarHBondContact O-CE2 3.16Å
72K74.2Confident83.4Confident111 Ų11189.3 Ų89.348%0.48345%0.454SS..SBendtrans-84.4-24.7169.7-64.6176.9178.6106.50112.8A95 D98K72-A95 WeakPolarHBondContact CE-O 3.14Å; K72-A95 HydrophobicContact CG-CB 4.21Å; K72-A95 WeakPolarHBondContact CG-O 3.34Å; K72-D98 VanDerWaalsContact NZ-CG 3.27Å; K72-D98 IonicContact NZ-OD1 2.92Å; K72-D98 PolarHBondContact NZ-OD1 3.28Å; K72-D98 IonicContact NZ-OD2 2.76Å; K72-D98 PolarHBondContact NZ-OD2 2.97Å
73I73.2Confident83.9Confident128 Ų12883.5 Ų83.566%0.65644%0.437SS*.SBendtrans-80.5-41.5-170.7-58.9173.1000110.6S71 F75 K76S71-I73 PolarHBondContact OG-N 2.97Å; I73-F75 PolarHBondContact O-N 2.97Å; I73-K76 PolarHBondContact O-N 2.85Å; I73-K76 VanDerWaalsContact O-N 3.08Å
74V70.9Confident84Confident20 Ų2081.5 Ų81.512%0.12142%0.424CS..G310 helixtrans-63.7-28.5-175.1176.70000112S71 K76 H77 K81 F93S71-V74 WeakPolarHBondContact OG-CG2 3.22Å; S71-V74 PolarHBondContact OG-N 3.35Å; V74-K76 PolarHBondContact O-N 3Å; V74-H77 PolarHBondContact O-N 2.86Å; V74-K81 HydrophobicContact CG1-CB 3.62Å; V74-K81 HydrophobicContact CG1-CG 3.98Å; V74-F93 HydrophobicContact CG1-CE1 3.94Å
75F70.7Confident84.1Confident82 Ų8278.2 Ų78.236%0.3641%0.411SS..G310 helixtrans-63.3-23.1175.8-79.8-86.6000114.3S71 I73 H77 F93 A95S71-F75 WeakPolarHBondContact O-CD2 3.36Å; S71-F75 VanDerWaalsContact O-CE2 3.3Å; S71-F75 WeakPolarHBondContact O-CE2 3.16Å; I73-F75 PolarHBondContact O-N 2.97Å; F75-H77 VanDerWaalsContact C-N 3.3Å; F75-F93 HydrophobicContact CE1-CB 4.13Å; F75-F93 HydrophobicContact CE2-CB 3.7Å; F75-F93 HydrophobicContact CE2-CG 4.48Å; F75-F93 HydrophobicContact CZ-CB 3.28Å; F75-F93 HydrophobicContact CZ-CG 4.23Å; F75-A95 HydrophobicContact CD2-CB 4.05Å; F75-A95 HydrophobicContact CE2-CB 3.73Å; F75-A95 HydrophobicContact CZ-CB 4.46Å
76K75.9Confident84.1Confident172 Ų17279.7 Ų79.775%0.74841%0.406SS*.G310 helixtrans-77.6-18.2-179.1-63.2-174.5178.7-177.60113I73 V74I73-K76 PolarHBondContact O-N 2.85Å; I73-K76 VanDerWaalsContact O-N 3.08Å; V74-K76 PolarHBondContact O-N 3Å
77H81.9Confident84.2Confident108 Ų10886.8 Ų86.850%0.542%0.422SS..  trans-133.799.3-173.2-67.2-54.7000110.8V74 F75 V79 L80 K81V74-H77 PolarHBondContact O-N 2.86Å; F75-H77 VanDerWaalsContact C-N 3.3Å; H77-V79 VanDerWaalsContact C-N 3.29Å; H77-V79 PolarHBondContact O-N 3.2Å; H77-L80 HydrophobicContact CB-CB 3.98Å; H77-L80 HydrophobicContact CB-CD1 3.79Å; H77-L80 HydrophobicContact CB-CG 3.93Å; H77-L80 PolarHBondContact O-N 3.17Å; H77-K81 PolarHBondContact O-N 3.44Å
78Q83.5Confident84.3Confident108 Ų10888.5 Ų88.551%0.50542%0.423SS..Hα-helixtrans-54.7-42-178.2-173.863.520.600112.9L80 K81 D82Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 2.87Å; Q78-K81 WeakPolarHBondContact O-CB 3.47Å; Q78-K81 PolarHBondContact O-N 3.48Å; Q78-K81 VanDerWaalsContact O-N 3.14Å; Q78-D82 PolarHBondContact NE2-OD1 2.58Å; Q78-D82 PolarHBondContact NE2-OD2 2.95Å; Q78-D82 VanDerWaalsContact O-CG 3.27Å; Q78-D82 PolarHBondContact O-N 3.48Å
79V88.8Confident84.4Confident119 Ų11987.9 Ų87.972%0.72143%0.431SS*.Hα-helixtrans-61.3-42.3177.81790000111.8H77 D82 D83H77-V79 VanDerWaalsContact C-N 3.29Å; H77-V79 PolarHBondContact O-N 3.2Å; V79-D82 PolarHBondContact O-N 2.61Å; V79-D83 WeakPolarHBondContact O-CB 3.31Å; V79-D83 PolarHBondContact O-N 2.6Å
80L87.4Confident84.5Confident97 Ų9788.4 Ų88.451%0.50843%0.433SS..Hα-helixtrans-68.7-37.2175.9-65.8179.7000111.1H77 Q78 F84H77-L80 HydrophobicContact CB-CB 3.98Å; H77-L80 HydrophobicContact CB-CD1 3.79Å; H77-L80 HydrophobicContact CB-CG 3.93Å; H77-L80 PolarHBondContact O-N 3.17Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 2.87Å; L80-F84 WeakPolarHBondContact O-CB 3.33Å; L80-F84 PolarHBondContact O-N 3.25Å
81K86Confident84.8Confident45 Ų4590.4 Ų90.420%0.19644%0.437CS..Hα-helixtrans-60.8-47.6174.6-174.1-176.5173.2-174.50111.7V74 H77 Q78 F84 T85 F93V74-K81 HydrophobicContact CG1-CB 3.62Å; V74-K81 HydrophobicContact CG1-CG 3.98Å; H77-K81 PolarHBondContact O-N 3.44Å; Q78-K81 WeakPolarHBondContact O-CB 3.47Å; Q78-K81 PolarHBondContact O-N 3.48Å; Q78-K81 VanDerWaalsContact O-N 3.14Å; K81-F84 PolarHBondContact O-N 3.06Å; K81-T85 VanDerWaalsContact O-CB 3.28Å; K81-T85 WeakPolarHBondContact O-CB 3.39Å; K81-T85 PolarHBondContact O-N 2.8Å; K81-T85 PolarHBondContact O-OG1 3.3Å; K81-F93 HydrophobicContact CD-CE2 4.45Å; K81-F93 HydrophobicContact CG-CE1 4.16Å; K81-F93 HydrophobicContact CG-CE2 3.87Å; K81-F93 HydrophobicContact CG-CZ 3.66Å
82D89Confident85.4Confident81 Ų8190.3 Ų90.343%0.43344%0.438SS..Hα-helixtrans-69.3-41.8-178.1-65.6-19.8000111.1Q78 V79 T85 R86Q78-D82 PolarHBondContact NE2-OD1 2.58Å; Q78-D82 PolarHBondContact NE2-OD2 2.95Å; Q78-D82 VanDerWaalsContact O-CG 3.27Å; Q78-D82 PolarHBondContact O-N 3.48Å; V79-D82 PolarHBondContact O-N 2.61Å; D82-T85 PolarHBondContact O-N 3.08Å; D82-R86 WeakPolarHBondContact O-CB 3.36Å; D82-R86 PolarHBondContact O-N 2.82Å
83D92Very high85.9Confident68 Ų6886.9 Ų86.936%0.36442%0.423SS..Hα-helixtrans-61.5-46.8174.2-173.364.2000111.9V79 R86 R87V79-D83 WeakPolarHBondContact O-CB 3.31Å; V79-D83 PolarHBondContact O-N 2.6Å; D83-R86 PolarHBondContact O-N 3.28Å; D83-R86 IonicContact OD1-CZ 2.88Å; D83-R86 IonicContact OD1-NH2 2.69Å; D83-R86 PolarHBondContact OD1-NH2 2.87Å; D83-R87 VanDerWaalsContact O-CB 3.24Å; D83-R87 WeakPolarHBondContact O-CB 3.45Å; D83-R87 PolarHBondContact O-N 2.8Å
84F89.4Confident86.4Confident74 Ų7482.2 Ų82.233%0.32540%0.399SS..Hα-helixtrans-65-41178.4-164.8-100.5000111.7A69 L80 K81 R87 F88 L90 F93A69-F84 HydrophobicContact CB-CD1 4.42Å; A69-F84 HydrophobicContact CB-CE1 3.92Å; L80-F84 WeakPolarHBondContact O-CB 3.33Å; L80-F84 PolarHBondContact O-N 3.25Å; K81-F84 PolarHBondContact O-N 3.06Å; F84-R87 PolarHBondContact O-N 3.01Å; F84-F88 HydrophobicContact CD1-CD2 4.15Å; F84-F88 AromaticContact CD2-CD2 3.65Å; F84-F88 HydrophobicContact CD2-CD2 3.65Å; F84-F88 AromaticContact CD2-CE2 3.47Å; F84-F88 HydrophobicContact CD2-CE2 3.47Å; F84-F88 VanDerWaalsContact CD2-CE2 3.47Å; F84-F88 HydrophobicContact CE1-CD2 4.02Å; F84-F88 HydrophobicContact CE1-CE2 4.5Å; F84-F88 AromaticContact CE2-CD2 3.53Å; F84-F88 HydrophobicContact CE2-CD2 3.53Å; F84-F88 AromaticContact CE2-CE2 3.19Å; F84-F88 HydrophobicContact CE2-CE2 3.19Å; F84-F88 HydrophobicContact CE2-CZ 4.15Å; F84-F88 AromaticContact CG-CD2 3.95Å; F84-F88 HydrophobicContact CG-CD2 3.95Å; F84-F88 HydrophobicContact CG-CE2 4.24Å; F84-F88 AromaticContact CZ-CD2 3.7Å; F84-F88 HydrophobicContact CZ-CD2 3.7Å; F84-F88 AromaticContact CZ-CE2 3.76Å; F84-F88 HydrophobicContact CZ-CE2 3.76Å; F84-F88 WeakPolarHBondContact O-CD2 2.8Å; F84-F88 PolarHBondContact O-N 3.33Å; F84-L90 HydrophobicContact CD1-CD1 3.33Å; F84-L90 HydrophobicContact CE1-CD1 3.64Å; F84-L90 HydrophobicContact CG-CD1 4.42Å; F84-F93 HydrophobicContact CD1-CE1 4.23Å
85T90.5Very high86.7Confident38 Ų3883 Ų8323%0.23341%0.408CS..Hα-helixtrans-56.3-52.5173.2-58.70000110.9K81 D82 R87 G89 L90 F93K81-T85 VanDerWaalsContact O-CB 3.28Å; K81-T85 WeakPolarHBondContact O-CB 3.39Å; K81-T85 PolarHBondContact O-N 2.8Å; K81-T85 PolarHBondContact O-OG1 3.3Å; D82-T85 PolarHBondContact O-N 3.08Å; T85-R87 VanDerWaalsContact C-N 3.34Å; T85-R87 PolarHBondContact O-N 2.94Å; T85-G89 WeakPolarHBondContact O-CA 3.31Å; T85-G89 PolarHBondContact O-N 3.05Å; T85-L90 HydrophobicContact CG2-CB 4.2Å; T85-L90 WeakPolarHBondContact CG2-O 3.34Å; T85-L90 PolarHBondContact O-N 2.84Å; T85-L90 VanDerWaalsContact O-N 3.07Å; T85-F93 VanDerWaalsContact OG1-CE2 3.22Å; T85-F93 WeakPolarHBondContact OG1-CE2 3.44Å; T85-F93 WeakPolarHBondContact OG1-CZ 3.3Å
86R92.9Very high87.1Confident189 Ų18981.3 Ų81.371%0.71341%0.413SS*.Hα-helixtrans-63.7-40.6-179.2-177.4179.261.784.53.3111.8D82 D83D82-R86 WeakPolarHBondContact O-CB 3.36Å; D82-R86 PolarHBondContact O-N 2.82Å; D83-R86 PolarHBondContact O-N 3.28Å; D83-R86 IonicContact OD1-CZ 2.88Å; D83-R86 IonicContact OD1-NH2 2.69Å; D83-R86 PolarHBondContact OD1-NH2 2.87Å
87R94.1Very high87.5Confident183 Ų18374.5 Ų74.569%0.69138%0.384SS*.Hα-helixtrans-68.4-37.2-177.2-175.1171.6179.8173.5-0.4113.1D83 F84 T85D83-R87 VanDerWaalsContact O-CB 3.24Å; D83-R87 WeakPolarHBondContact O-CB 3.45Å; D83-R87 PolarHBondContact O-N 2.8Å; F84-R87 PolarHBondContact O-N 3.01Å; T85-R87 VanDerWaalsContact C-N 3.34Å; T85-R87 PolarHBondContact O-N 2.94Å
88F91.9Very high87.7Confident104 Ų10471.2 Ų71.246%0.45637%0.37SS..Hα-helixtrans-1094.2-175.7-63.7-75.4000114P67 F84 L90P67-F88 WeakPolarHBondContact CG-O 3.08Å; F84-F88 HydrophobicContact CD1-CD2 4.15Å; F84-F88 AromaticContact CD2-CD2 3.65Å; F84-F88 HydrophobicContact CD2-CD2 3.65Å; F84-F88 AromaticContact CD2-CE2 3.47Å; F84-F88 HydrophobicContact CD2-CE2 3.47Å; F84-F88 VanDerWaalsContact CD2-CE2 3.47Å; F84-F88 HydrophobicContact CE1-CD2 4.02Å; F84-F88 HydrophobicContact CE1-CE2 4.5Å; F84-F88 AromaticContact CE2-CD2 3.53Å; F84-F88 HydrophobicContact CE2-CD2 3.53Å; F84-F88 AromaticContact CE2-CE2 3.19Å; F84-F88 HydrophobicContact CE2-CE2 3.19Å; F84-F88 HydrophobicContact CE2-CZ 4.15Å; F84-F88 AromaticContact CG-CD2 3.95Å; F84-F88 HydrophobicContact CG-CD2 3.95Å; F84-F88 HydrophobicContact CG-CE2 4.24Å; F84-F88 AromaticContact CZ-CD2 3.7Å; F84-F88 HydrophobicContact CZ-CD2 3.7Å; F84-F88 AromaticContact CZ-CE2 3.76Å; F84-F88 HydrophobicContact CZ-CE2 3.76Å; F84-F88 WeakPolarHBondContact O-CD2 2.8Å; F84-F88 PolarHBondContact O-N 3.33Å; F88-L90 VanDerWaalsContact C-N 3.3Å; F88-L90 HydrophobicContact CB-CD1 4.5Å; F88-L90 HydrophobicContact CB-CD2 3.79Å; F88-L90 HydrophobicContact CB-CG 3.91Å; F88-L90 PolarHBondContact O-N 3.28Å
89G93Very high87.9Confident47 Ų4770 Ų7049%0.48537%0.37SS..THydrogen-bonded Turntrans61.737179.500000113.1P67 T85P67-G89 WeakPolarHBondContact CD-O 3.43Å; P67-G89 VanDerWaalsContact CG-O 3.22Å; P67-G89 WeakPolarHBondContact CG-O 3.47Å; T85-G89 WeakPolarHBondContact O-CA 3.31Å; T85-G89 PolarHBondContact O-N 3.05Å
90L90.4Very high87.8Confident19 Ų1967.3 Ų67.310%0.09935%0.354CS..  trans-70.7141.3-172.4-54.7174.6000111.7P67 A69 F84 T85 F88 F93P67-L90 HydrophobicContact CB-CD2 4.03Å; P67-L90 HydrophobicContact CG-CD2 4.25Å; P67-L90 WeakPolarHBondContact O-CA 3.41Å; A69-L90 HydrophobicContact CB-CD1 3.4Å; A69-L90 HydrophobicContact CB-CD2 4.01Å; A69-L90 HydrophobicContact CB-CG 4.27Å; F84-L90 HydrophobicContact CD1-CD1 3.33Å; F84-L90 HydrophobicContact CE1-CD1 3.64Å; F84-L90 HydrophobicContact CG-CD1 4.42Å; T85-L90 HydrophobicContact CG2-CB 4.2Å; T85-L90 WeakPolarHBondContact CG2-O 3.34Å; T85-L90 PolarHBondContact O-N 2.84Å; T85-L90 VanDerWaalsContact O-N 3.07Å; F88-L90 VanDerWaalsContact C-N 3.3Å; F88-L90 HydrophobicContact CB-CD1 4.5Å; F88-L90 HydrophobicContact CB-CD2 3.79Å; F88-L90 HydrophobicContact CB-CG 3.91Å; F88-L90 PolarHBondContact O-N 3.28Å; L90-F93 HydrophobicContact CD1-CE1 3.77Å; L90-F93 HydrophobicContact CD1-CE2 4.3Å; L90-F93 HydrophobicContact CD1-CZ 3.55Å
91I89.2Confident87.9Confident81 Ų8164.2 Ų64.242%0.41534%0.337SS..  trans-105.1-20175.862.6157.2000112.9H64 P67 I68H64-I91 HydrophobicContact CB-CD1 3.86Å; P67-I91 WeakPolarHBondContact O-CG1 3.4Å; P67-I91 PolarHBondContact O-N 2.97Å; I68-I91 HydrophobicContact CG1-CG1 4.48Å
92A87.7Confident88Confident22 Ų2268.5 Ų68.518%0.18236%0.358CS..EExtended strand (participates in β ladder)trans-157.8165.6-177.800000111.5I68 A69I68-A92 WeakPolarHBondContact CA-O 3.3Å; I68-A92 HydrophobicContact CG1-CB 4.23Å; I68-A92 HydrophobicContact CG2-CB 4.18Å; A69-A92 PolarHBondContact N-O 3.15Å
93F84.9Confident88.2Confident40 Ų4067.6 Ų67.618%0.17536%0.359CS..EExtended strand (participates in β ladder)trans-130.2137.3175.6-69.7-97.7000109.9A69 V74 F75 K81 F84 T85 L90A69-F93 HydrophobicContact CB-CD1 3.58Å; A69-F93 HydrophobicContact CB-CE1 3.67Å; A69-F93 HydrophobicContact CB-CG 4.35Å; A69-F93 HydrophobicContact CB-CZ 4.5Å; A69-F93 CarbonylContact O-C 3.49Å; A69-F93 WeakPolarHBondContact O-CA 3.28Å; V74-F93 HydrophobicContact CG1-CE1 3.94Å; F75-F93 HydrophobicContact CE1-CB 4.13Å; F75-F93 HydrophobicContact CE2-CB 3.7Å; F75-F93 HydrophobicContact CE2-CG 4.48Å; F75-F93 HydrophobicContact CZ-CB 3.28Å; F75-F93 HydrophobicContact CZ-CG 4.23Å; K81-F93 HydrophobicContact CD-CE2 4.45Å; K81-F93 HydrophobicContact CG-CE1 4.16Å; K81-F93 HydrophobicContact CG-CE2 3.87Å; K81-F93 HydrophobicContact CG-CZ 3.66Å; F84-F93 HydrophobicContact CD1-CE1 4.23Å; T85-F93 VanDerWaalsContact OG1-CE2 3.22Å; T85-F93 WeakPolarHBondContact OG1-CE2 3.44Å; T85-F93 WeakPolarHBondContact OG1-CZ 3.3Å; L90-F93 HydrophobicContact CD1-CE1 3.77Å; L90-F93 HydrophobicContact CD1-CE2 4.3Å; L90-F93 HydrophobicContact CD1-CZ 3.55Å
94D85.1Confident88.1Confident29 Ų2965.3 Ų65.316%0.15535%0.347CS..  trans-128.5107.2172.2-169.5-32.8000109.3I68 A69 A70 G96 F97 R116I68-D94 HydrophobicContact CG2-CB 4.41Å; A69-D94 PolarHBondContact O-N 2.91Å; A70-D94 WeakPolarHBondContact CA-O 3.11Å; D94-G96 PolarHBondContact O-N 2.86Å; D94-G96 PolarHBondContact OD1-N 3.25Å; D94-F97 HydrophobicContact CB-CB 3.98Å; D94-F97 PolarHBondContact OD1-N 3.26Å; D94-R116 IonicContact OD2-CZ 2.7Å; D94-R116 VanDerWaalsContact OD2-CZ 3.26Å; D94-R116 IonicContact OD2-NE 2.86Å; D94-R116 PolarHBondContact OD2-NE 3.13Å; D94-R116 IonicContact OD2-NH2 3.73Å; D94-R116 PolarHBondContact OD2-NH2 2.93Å
95A76.8Confident88.1Confident37 Ų3768.3 Ų68.331%0.30636%0.36SS..THydrogen-bonded Turntrans-68-17.1-17800000113.5K72 F75K72-A95 WeakPolarHBondContact CE-O 3.14Å; K72-A95 HydrophobicContact CG-CB 4.21Å; K72-A95 WeakPolarHBondContact CG-O 3.34Å; F75-A95 HydrophobicContact CD2-CB 4.05Å; F75-A95 HydrophobicContact CE2-CB 3.73Å; F75-A95 HydrophobicContact CZ-CB 4.46Å
96G78.8Confident88.2Confident46 Ų4669.3 Ų69.347%0.47438%0.378SS..THydrogen-bonded Turntrans-100.1-3.1-175.500000114.6D94D94-G96 PolarHBondContact O-N 2.86Å; D94-G96 PolarHBondContact OD1-N 3.25Å
97F84Confident88.3Confident29 Ų2965.6 Ų65.613%0.12737%0.372CS..  trans-94-4.4-170-155.2-112.1000114.4A70 D94 T99 V100 I101 L114A70-F97 HydrophobicContact CB-CB 4.19Å; D94-F97 HydrophobicContact CB-CB 3.98Å; D94-F97 PolarHBondContact OD1-N 3.26Å; F97-T99 PolarHBondContact O-N 3.05Å; F97-V100 HydrophobicContact CD2-CB 3.81Å; F97-V100 HydrophobicContact CD2-CG1 4.25Å; F97-V100 HydrophobicContact CD2-CG2 3.85Å; F97-V100 HydrophobicContact CE1-CB 4.31Å; F97-V100 HydrophobicContact CE1-CG1 4.26Å; F97-V100 HydrophobicContact CE2-CB 3.55Å; F97-V100 HydrophobicContact CE2-CG1 3.46Å; F97-V100 VanDerWaalsContact CE2-CG1 3.46Å; F97-V100 HydrophobicContact CE2-CG2 3.8Å; F97-V100 HydrophobicContact CG-CB 4.28Å; F97-V100 HydrophobicContact CZ-CB 3.79Å; F97-V100 HydrophobicContact CZ-CG1 3.43Å; F97-V100 VanDerWaalsContact CZ-CG1 3.43Å; F97-V100 PolarHBondContact O-N 3.27Å; F97-I101 HydrophobicContact CD1-CD1 3.66Å; F97-I101 HydrophobicContact CD1-CG1 3.46Å; F97-I101 VanDerWaalsContact CD1-CG1 3.46Å; F97-I101 HydrophobicContact CE1-CD1 3.32Å; F97-I101 HydrophobicContact CE1-CG1 3.63Å; F97-I101 HydrophobicContact CZ-CD1 4.44Å; F97-I101 WeakPolarHBondContact O-CG1 3.36Å; F97-I101 PolarHBondContact O-N 3.34Å; F97-I101 VanDerWaalsContact O-N 3.08Å; F97-L114 HydrophobicContact CD1-CD1 4.39Å; F97-L114 HydrophobicContact CD1-CD2 3.63Å; F97-L114 HydrophobicContact CD2-CD1 4.24Å; F97-L114 HydrophobicContact CE1-CB 4.42Å; F97-L114 HydrophobicContact CE1-CD1 3.67Å; F97-L114 HydrophobicContact CE1-CD2 3.48Å; F97-L114 VanDerWaalsContact CE1-CD2 3.48Å; F97-L114 HydrophobicContact CE1-CG 4.02Å; F97-L114 HydrophobicContact CE2-CD1 3.5Å; F97-L114 VanDerWaalsContact CE2-CD1 3.5Å; F97-L114 HydrophobicContact CE2-CD2 4.47Å; F97-L114 HydrophobicContact CG-CD2 4.23Å; F97-L114 HydrophobicContact CZ-CD1 3.2Å; F97-L114 HydrophobicContact CZ-CD2 3.96Å; F97-L114 HydrophobicContact CZ-CG 4.06Å
98D85.8Confident88.1Confident39 Ų3967.7 Ų67.721%0.20938%0.38CS..Hα-helixtrans-56-49-178.953-17000112.1A70 K72 V100 I101 E102A70-D98 HydrophobicContact CB-CB 4.37Å; K72-D98 VanDerWaalsContact NZ-CG 3.27Å; K72-D98 IonicContact NZ-OD1 2.92Å; K72-D98 PolarHBondContact NZ-OD1 3.28Å; K72-D98 IonicContact NZ-OD2 2.76Å; K72-D98 PolarHBondContact NZ-OD2 2.97Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 3.22Å; D98-I101 PolarHBondContact O-N 3.37Å; D98-E102 WeakPolarHBondContact O-CG 3.43Å; D98-E102 PolarHBondContact O-N 3.46Å
99T87.7Confident88.1Confident82 Ų8266.6 Ų66.650%0.50338%0.378SS..Hα-helixtrans-65.1-31.7179.857.10000113.2F97 S103F97-T99 PolarHBondContact O-N 3.05Å; T99-S103 WeakPolarHBondContact O-CB 3.1Å; T99-S103 PolarHBondContact O-N 3.42Å
100V88.2Confident88Confident63 Ų6367.8 Ų67.838%0.38239%0.39SS..Hα-helixtrans-70.1-45.1177.5-176.60000110F97 D98 S103 V104F97-V100 HydrophobicContact CD2-CB 3.81Å; F97-V100 HydrophobicContact CD2-CG1 4.25Å; F97-V100 HydrophobicContact CD2-CG2 3.85Å; F97-V100 HydrophobicContact CE1-CB 4.31Å; F97-V100 HydrophobicContact CE1-CG1 4.26Å; F97-V100 HydrophobicContact CE2-CB 3.55Å; F97-V100 HydrophobicContact CE2-CG1 3.46Å; F97-V100 VanDerWaalsContact CE2-CG1 3.46Å; F97-V100 HydrophobicContact CE2-CG2 3.8Å; F97-V100 HydrophobicContact CG-CB 4.28Å; F97-V100 HydrophobicContact CZ-CB 3.79Å; F97-V100 HydrophobicContact CZ-CG1 3.43Å; F97-V100 VanDerWaalsContact CZ-CG1 3.43Å; F97-V100 PolarHBondContact O-N 3.27Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 3.22Å; V100-S103 WeakPolarHBondContact O-CB 3.49Å; V100-S103 PolarHBondContact O-N 2.9Å; V100-V104 VanDerWaalsContact O-CG2 3.31Å; V100-V104 WeakPolarHBondContact O-CG2 3.45Å; V100-V104 PolarHBondContact O-N 2.88Å
101I88Confident88Confident32 Ų3270.5 Ų70.516%0.16441%0.411CS..Hα-helixtrans-60.8-45.7176.3-66.4-63.8000111.1A70 F97 D98 S103 V104 F105 W112A70-I101 HydrophobicContact CB-CG1 4.5Å; F97-I101 HydrophobicContact CD1-CD1 3.66Å; F97-I101 HydrophobicContact CD1-CG1 3.46Å; F97-I101 VanDerWaalsContact CD1-CG1 3.46Å; F97-I101 HydrophobicContact CE1-CD1 3.32Å; F97-I101 HydrophobicContact CE1-CG1 3.63Å; F97-I101 HydrophobicContact CZ-CD1 4.44Å; F97-I101 WeakPolarHBondContact O-CG1 3.36Å; F97-I101 PolarHBondContact O-N 3.34Å; F97-I101 VanDerWaalsContact O-N 3.08Å; D98-I101 PolarHBondContact O-N 3.37Å; I101-S103 VanDerWaalsContact C-N 3.3Å; I101-S103 PolarHBondContact O-N 3.21Å; I101-V104 PolarHBondContact O-N 3.24Å; I101-F105 HydrophobicContact CG2-CD2 3.55Å; I101-F105 HydrophobicContact CG2-CE2 3.23Å; I101-F105 HydrophobicContact CG2-CZ 4.3Å; I101-F105 WeakPolarHBondContact O-CD2 3.13Å; I101-F105 PolarHBondContact O-N 3.26Å; I101-W112 HydrophobicContact CD1-CH2 3.16Å; I101-W112 HydrophobicContact CD1-CZ2 3.91Å; I101-W112 HydrophobicContact CD1-CZ3 3.59Å
102E89Confident88.1Confident135 Ų13571.4 Ų71.463%0.63141%0.409SS*.Hα-helixtrans-58.4-42.5176-75-179.817100111.9D98 F105 G106D98-E102 WeakPolarHBondContact O-CG 3.43Å; D98-E102 PolarHBondContact O-N 3.46Å; E102-F105 PolarHBondContact O-N 2.68Å; E102-G106 PolarHBondContact O-N 3.37Å
103S91.8Very high88.2Confident63 Ų6374.5 Ų74.544%0.44143%0.426SS..Hα-helixtrans-64.8-42.4176.3-178.80000112.6T99 V100 I101 F105 G106 N107T99-S103 WeakPolarHBondContact O-CB 3.1Å; T99-S103 PolarHBondContact O-N 3.42Å; V100-S103 WeakPolarHBondContact O-CB 3.49Å; V100-S103 PolarHBondContact O-N 2.9Å; I101-S103 VanDerWaalsContact C-N 3.3Å; I101-S103 PolarHBondContact O-N 3.21Å; S103-F105 VanDerWaalsContact C-N 3.33Å; S103-F105 PolarHBondContact O-N 2.63Å; S103-G106 PolarHBondContact O-N 3.39Å; S103-N107 WeakPolarHBondContact O-CB 3.28Å; S103-N107 PolarHBondContact O-N 3.08Å; S103-N107 PolarHBondContact O-ND2 3.19Å; S103-N107 PolarHBondContact OG-ND2 2.79Å
104V90.9Very high88.5Confident20 Ų2074.8 Ų74.812%0.12143%0.429CS..Hα-helixtrans-59.5-44.8176.5167.60000110.9V100 I101 R108 I109 W112V100-V104 VanDerWaalsContact O-CG2 3.31Å; V100-V104 WeakPolarHBondContact O-CG2 3.45Å; V100-V104 PolarHBondContact O-N 2.88Å; I101-V104 PolarHBondContact O-N 3.24Å; V104-R108 PolarHBondContact O-N 2.93Å; V104-I109 HydrophobicContact CG1-CB 4.06Å; V104-I109 HydrophobicContact CG1-CG2 4.48Å; V104-I109 PolarHBondContact O-N 2.94Å; V104-I109 VanDerWaalsContact O-N 3.14Å; V104-W112 HydrophobicContact CG1-CB 4.46Å; V104-W112 HydrophobicContact CG1-CD2 3.84Å; V104-W112 HydrophobicContact CG1-CG 3.66Å; V104-W112 HydrophobicContact CG1-CZ2 4.5Å
105F88.6Confident88.8Confident137 Ų13775.9 Ų75.960%0.60143%0.434SS*.Hα-helixtrans-67.4-44.6175.6-72.7-55.2000112.5I101 E102 S103 N107 R108I101-F105 HydrophobicContact CG2-CD2 3.55Å; I101-F105 HydrophobicContact CG2-CE2 3.23Å; I101-F105 HydrophobicContact CG2-CZ 4.3Å; I101-F105 WeakPolarHBondContact O-CD2 3.13Å; I101-F105 PolarHBondContact O-N 3.26Å; E102-F105 PolarHBondContact O-N 2.68Å; S103-F105 VanDerWaalsContact C-N 3.33Å; S103-F105 PolarHBondContact O-N 2.63Å; F105-N107 VanDerWaalsContact C-N 3.27Å; F105-N107 PolarHBondContact O-N 3.27Å; F105-R108 PolarHBondContact O-N 3.02Å
106G93.8Very high89.5Confident58 Ų5880.3 Ų80.360%0.59844%0.443SS*.Hα-helixtrans-59.7-37.2178.700000112.8E102 S103 R108E102-G106 PolarHBondContact O-N 3.37Å; S103-G106 PolarHBondContact O-N 3.39Å; G106-R108 VanDerWaalsContact C-N 3.27Å; G106-R108 PolarHBondContact O-N 2.97Å
107N94.2Very high90Very high111 Ų11179.2 Ų79.259%0.59443%0.432SS*.THydrogen-bonded Turntrans-84.45.3177.1-68.5-47.7000114S103 F105 I109S103-N107 WeakPolarHBondContact O-CB 3.28Å; S103-N107 PolarHBondContact O-N 3.08Å; S103-N107 PolarHBondContact O-ND2 3.19Å; S103-N107 PolarHBondContact OG-ND2 2.79Å; F105-N107 VanDerWaalsContact C-N 3.27Å; F105-N107 PolarHBondContact O-N 3.27Å; N107-I109 HydrophobicContact CB-CD1 4.16Å; N107-I109 HydrophobicContact CB-CG1 4Å; N107-I109 PolarHBondContact O-N 2.9Å
108R90.9Very high90.2Very high227 Ų22782.9 Ų82.986%0.85745%0.452SS*.THydrogen-bonded Turntrans55.534.1178.1-52.5-179-176.5177.90.8113.6V104 F105 G106 G110V104-R108 PolarHBondContact O-N 2.93Å; F105-R108 PolarHBondContact O-N 3.02Å; G106-R108 VanDerWaalsContact C-N 3.27Å; G106-R108 PolarHBondContact O-N 2.97Å; R108-G110 PolarHBondContact O-N 3.27Å; R108-G110 VanDerWaalsContact O-N 3.13Å
109I92.2Very high90.2Very high81 Ų8181.8 Ų81.842%0.41545%0.448SS..  trans-73.8106.6177.9-59.5175.1000108.4V104 N107 W112V104-I109 HydrophobicContact CG1-CB 4.06Å; V104-I109 HydrophobicContact CG1-CG2 4.48Å; V104-I109 PolarHBondContact O-N 2.94Å; V104-I109 VanDerWaalsContact O-N 3.14Å; N107-I109 HydrophobicContact CB-CD1 4.16Å; N107-I109 HydrophobicContact CB-CG1 4Å; N107-I109 PolarHBondContact O-N 2.9Å; I109-W112 HydrophobicContact CG2-CB 4.23Å
110G89.4Confident89.9Confident72 Ų7281.7 Ų81.774%0.74244%0.444SS*.  trans-80.6-14.1-174.800000115.4R108R108-G110 PolarHBondContact O-N 3.27Å; R108-G110 VanDerWaalsContact O-N 3.13Å
111S90.8Very high88.9Confident76 Ų7681.2 Ų81.253%0.53145%0.447SS..SBendtrans-138.2107.4-174.1171.50000109.8M1M1-S111 WeakPolarHBondContact CE-OG 3.49Å; M1-S111 PolarHBondContact SD-OG 3.39Å
112W91.8Very high87.8Confident100 Ų10085.8 Ų85.838%0.37948%0.482SS..  trans-153.5158.4179.662.8-84.5000109.6I101 V104 I109 L114I101-W112 HydrophobicContact CD1-CH2 3.16Å; I101-W112 HydrophobicContact CD1-CZ2 3.91Å; I101-W112 HydrophobicContact CD1-CZ3 3.59Å; V104-W112 HydrophobicContact CG1-CB 4.46Å; V104-W112 HydrophobicContact CG1-CD2 3.84Å; V104-W112 HydrophobicContact CG1-CG 3.66Å; V104-W112 HydrophobicContact CG1-CZ2 4.5Å; I109-W112 HydrophobicContact CG2-CB 4.23Å; W112-L114 HydrophobicContact CZ3-CB 4.28Å
113T90.4Very high86.8Confident87 Ų8784 Ų8453%0.53448%0.477SS..  trans-140.8156.9171-168.40000108.8
114L89.8Confident85.4Confident47 Ų4783 Ų8325%0.24648%0.475CS..  trans-110127.7179.2177.758.9000109.9I68 F97 W112 R116I68-L114 HydrophobicContact CD1-CD2 4.15Å; F97-L114 HydrophobicContact CD1-CD1 4.39Å; F97-L114 HydrophobicContact CD1-CD2 3.63Å; F97-L114 HydrophobicContact CD2-CD1 4.24Å; F97-L114 HydrophobicContact CE1-CB 4.42Å; F97-L114 HydrophobicContact CE1-CD1 3.67Å; F97-L114 HydrophobicContact CE1-CD2 3.48Å; F97-L114 VanDerWaalsContact CE1-CD2 3.48Å; F97-L114 HydrophobicContact CE1-CG 4.02Å; F97-L114 HydrophobicContact CE2-CD1 3.5Å; F97-L114 VanDerWaalsContact CE2-CD1 3.5Å; F97-L114 HydrophobicContact CE2-CD2 4.47Å; F97-L114 HydrophobicContact CG-CD2 4.23Å; F97-L114 HydrophobicContact CZ-CD1 3.2Å; F97-L114 HydrophobicContact CZ-CD2 3.96Å; F97-L114 HydrophobicContact CZ-CG 4.06Å; W112-L114 HydrophobicContact CZ3-CB 4.28Å; L114-R116 HydrophobicContact CD1-CG 3.61Å; L114-R116 HydrophobicContact CD2-CG 3.93Å; L114-R116 HydrophobicContact CG-CG 3.66Å
115I92.6Very high84.2Confident51 Ų5185.9 Ų85.926%0.26249%0.494SS..  trans-118.3123173-51.9170.5000107.3A138 V141 M142 I145I115-A138 HydrophobicContact CG2-CB 4.1Å; I115-A138 WeakPolarHBondContact CG2-O 3.44Å; I115-V141 HydrophobicContact CG2-CB 3.97Å; I115-V141 HydrophobicContact CG2-CG1 3.79Å; I115-M142 HydrophobicContact CD1-CB 3.85Å; I115-M142 HydrophobicContact CD1-CG 4.26Å; I115-I145 HydrophobicContact CD1-CD1 3.71Å; I115-I145 HydrophobicContact CG1-CD1 4.36Å
116R90.2Very high83.2Confident130 Ų13087 Ų8749%0.49150%0.498SS..  trans-136.4142.4-177-65.1-68-77.9151.8-2111.1D94 L114D94-R116 IonicContact OD2-CZ 2.7Å; D94-R116 VanDerWaalsContact OD2-CZ 3.26Å; D94-R116 IonicContact OD2-NE 2.86Å; D94-R116 PolarHBondContact OD2-NE 3.13Å; D94-R116 IonicContact OD2-NH2 3.73Å; D94-R116 PolarHBondContact OD2-NH2 2.93Å; L114-R116 HydrophobicContact CD1-CG 3.61Å; L114-R116 HydrophobicContact CD2-CG 3.93Å; L114-R116 HydrophobicContact CG-CG 3.66Å
117G90Very high82.1Confident23 Ų2385.1 Ų85.124%0.23748%0.479CS..  trans-84.6139.6165.800000110.1A134G117-A134 VanDerWaalsContact CA-O 3.28Å; G117-A134 WeakPolarHBondContact CA-O 3.41Å
118I87.7Confident81.3Confident107 Ų10787.5 Ų87.555%0.54948%0.484SS..  trans-92.8114.9173.5-53.5-57.9000108.2A134I118-A134 WeakPolarHBondContact O-CB 3.46Å
119A87.2Confident80.9Confident16 Ų1682.7 Ų82.713%0.13248%0.475CS..  trans-119.3-17.6178.200000113.2G127 W130 Q131 A134A119-G127 WeakPolarHBondContact O-CA 3.46Å; A119-G127 PolarHBondContact O-N 3.1Å; A119-W130 HydrophobicContact CB-CB 3.84Å; A119-Q131 HydrophobicContact CB-CB 4.35Å; A119-Q131 HydrophobicContact CB-CG 3.69Å; A119-A134 HydrophobicContact CB-CB 4.03Å
120D80.8Confident80.7Confident80 Ų8081.5 Ų81.543%0.42847%0.465SS..BIsolated β-bridgetrans-81.4139.3178-65-13000109.3T125 K126D120-T125 WeakPolarHBondContact CA-O 3.08Å; D120-K126 WeakPolarHBondContact OD1-CA 3.27Å
121A67.2Low80.7Confident52 Ų5282.6 Ų82.643%0.4345%0.452SS..  trans-66162.6172.400000110.5D123 G124 T125A121-D123 WeakPolarHBondContact CB-OD1 3.28Å; A121-D123 PolarHBondContact O-N 2.9Å; A121-D123 VanDerWaalsContact O-N 3.11Å; A121-G124 WeakPolarHBondContact O-CA 3.45Å; A121-G124 PolarHBondContact O-N 3.49Å; A121-T125 PolarHBondContact N-O 3.23Å
122S65.7Low80.6Confident129 Ų12979.8 Ų79.890%0.90243%0.431SS*.THydrogen-bonded Turntrans-60.7-23.2-176.651.70000114.1G124S122-G124 VanDerWaalsContact C-N 3.3Å
123D66.3Low80.4Confident98 Ų9876.2 Ų76.252%0.52442%0.418SS..THydrogen-bonded Turntrans-81.6-6.2174.767.4-15000113.3A121 T125A121-D123 WeakPolarHBondContact CB-OD1 3.28Å; A121-D123 PolarHBondContact O-N 2.9Å; A121-D123 VanDerWaalsContact O-N 3.11Å; D123-T125 VanDerWaalsContact OD1-CB 3.28Å; D123-T125 WeakPolarHBondContact OD1-CB 3.36Å; D123-T125 PolarHBondContact OD1-N 2.88Å; D123-T125 PolarHBondContact OD1-OG1 3.25Å; D123-T125 PolarHBondContact OD2-OG1 3.33Å
124G62.3Low80.4Confident40 Ų4072.3 Ų72.341%0.41240%0.395SS..  trans87.67.2-17600000114.2A121 S122 K126A121-G124 WeakPolarHBondContact O-CA 3.45Å; A121-G124 PolarHBondContact O-N 3.49Å; S122-G124 VanDerWaalsContact C-N 3.3Å; G124-K126 PolarHBondContact O-N 2.9Å
125T66.4Low80.5Confident82 Ų8272.8 Ų72.850%0.50341%0.405SS..  trans-66.5124.3173.2-61.50000109.3D120 A121 D123 G127D120-T125 WeakPolarHBondContact CA-O 3.08Å; A121-T125 PolarHBondContact N-O 3.23Å; D123-T125 VanDerWaalsContact OD1-CB 3.28Å; D123-T125 WeakPolarHBondContact OD1-CB 3.36Å; D123-T125 PolarHBondContact OD1-N 2.88Å; D123-T125 PolarHBondContact OD1-OG1 3.25Å; D123-T125 PolarHBondContact OD2-OG1 3.33Å; T125-G127 PolarHBondContact O-N 3.08Å; T125-G127 VanDerWaalsContact O-N 3.15Å
126K67.8Low80.4Confident160 Ų16070.5 Ų70.570%0.69639%0.393SS*.BIsolated β-bridgetrans-73.8105.6-177.3-64.3-174.7179.4-175.10110.5D120 G124 K128D120-K126 WeakPolarHBondContact OD1-CA 3.27Å; G124-K126 PolarHBondContact O-N 2.9Å; K126-K128 PolarHBondContact O-N 2.9Å
127G70.3Confident80.4Confident19 Ų1965.7 Ų65.720%0.19638%0.376CS..  trans-82.386.7176.100000111A119 T125 D129 W130 Q131A119-G127 WeakPolarHBondContact O-CA 3.46Å; A119-G127 PolarHBondContact O-N 3.1Å; T125-G127 PolarHBondContact O-N 3.08Å; T125-G127 VanDerWaalsContact O-N 3.15Å; G127-D129 PolarHBondContact O-N 2.76Å; G127-W130 PolarHBondContact O-N 2.92Å; G127-Q131 PolarHBondContact O-N 2.77Å
128K77.8Confident80.5Confident161 Ų16165.3 Ų65.370%0.737%0.371SS*.THydrogen-bonded Turntrans-53.5-40.8177.2-75.1-172.5178.3-177.60112K126 W130 Q131 P132K126-K128 PolarHBondContact O-N 2.9Å; K128-W130 PolarHBondContact O-N 2.86Å; K128-Q131 WeakPolarHBondContact O-CB 3.14Å; K128-Q131 PolarHBondContact O-N 3.15Å; K128-Q131 VanDerWaalsContact O-N 3.09Å; K128-P132 WeakPolarHBondContact O-CD 3.12Å
129D83.2Confident80.8Confident126 Ų12662.3 Ų62.367%0.67436%0.362SS*.THydrogen-bonded Turntrans-66.1-27.5-178.8-54-18.8000112.5P40 G127 P132P40-D129 HydrophobicContact CB-CB 4.41Å; P40-D129 HydrophobicContact CG-CB 4.27Å; P40-D129 WeakPolarHBondContact CG-O 3.2Å; G127-D129 PolarHBondContact O-N 2.76Å; D129-P132 WeakPolarHBondContact O-CD 3.2Å
130W87.1Confident81Confident55 Ų5561.6 Ų61.621%0.20836%0.356CS..Hα-helixtrans-79.9-16.6176.6-77.183.5000113.1R39 P40 V42 A119 G127 K128 Y133 A134R39-W130 HydrophobicContact CG-CH2 3.86Å; R39-W130 HydrophobicContact CG-CZ3 3.99Å; P40-W130 HydrophobicContact CB-CD2 4.25Å; P40-W130 HydrophobicContact CB-CG 4.35Å; P40-W130 HydrophobicContact CB-CZ2 4.26Å; P40-W130 HydrophobicContact CG-CB 4.41Å; P40-W130 HydrophobicContact CG-CD2 3.85Å; P40-W130 HydrophobicContact CG-CE3 4.41Å; P40-W130 HydrophobicContact CG-CG 3.84Å; P40-W130 WeakPolarHBondContact O-CH2 3.48Å; P40-W130 WeakPolarHBondContact O-CZ2 3.28Å; V42-W130 HydrophobicContact CG2-CZ2 4.4Å; A119-W130 HydrophobicContact CB-CB 3.84Å; G127-W130 PolarHBondContact O-N 2.92Å; K128-W130 PolarHBondContact O-N 2.86Å; W130-Y133 AromaticContact CE3-CD1 3.87Å; W130-Y133 HydrophobicContact CE3-CD1 3.87Å; W130-Y133 HydrophobicContact CE3-CE1 4.34Å; W130-Y133 AromaticContact CZ3-CD1 3.9Å; W130-Y133 HydrophobicContact CZ3-CD1 3.9Å; W130-Y133 AromaticContact CZ3-CE1 3.94Å; W130-Y133 HydrophobicContact CZ3-CE1 3.94Å; W130-A134 WeakPolarHBondContact O-CB 3.23Å; W130-A134 PolarHBondContact O-N 3.33Å
131Q88.8Confident81.5Confident96 Ų9658.7 Ų58.745%0.44934%0.342SS..Hα-helixtrans-63.4-46.1-174.9-65.7178.16.900113.5A119 G127 K128 A134 A135A119-Q131 HydrophobicContact CB-CB 4.35Å; A119-Q131 HydrophobicContact CB-CG 3.69Å; G127-Q131 PolarHBondContact O-N 2.77Å; K128-Q131 WeakPolarHBondContact O-CB 3.14Å; K128-Q131 PolarHBondContact O-N 3.15Å; K128-Q131 VanDerWaalsContact O-N 3.09Å; Q131-A134 PolarHBondContact O-N 2.93Å; Q131-A135 WeakPolarHBondContact O-CB 3.35Å; Q131-A135 PolarHBondContact O-N 3.43Å
132P89.1Confident82.7Confident17 Ų1761.3 Ų61.311%0.1135%0.346CS..Hα-helixtrans-62-49.6178-21.733.2000111.8F35 S36 F37 K128 D129 A134 A135 L136F35-P132 HydrophobicContact CB-CB 4.23Å; F35-P132 HydrophobicContact CB-CG 4.09Å; F35-P132 HydrophobicContact CD1-CG 4Å; F35-P132 HydrophobicContact CG-CG 4.43Å; S36-P132 WeakPolarHBondContact O-CB 3.41Å; F37-P132 HydrophobicContact CD1-CB 3.74Å; F37-P132 WeakPolarHBondContact CD1-O 3.45Å; F37-P132 HydrophobicContact CE1-CB 3.82Å; F37-P132 HydrophobicContact CG-CB 4.24Å; F37-P132 HydrophobicContact CZ-CB 4.38Å; K128-P132 WeakPolarHBondContact O-CD 3.12Å; D129-P132 WeakPolarHBondContact O-CD 3.2Å; P132-A134 PolarHBondContact O-N 3.15Å; P132-A135 PolarHBondContact O-N 3.46Å; P132-L136 WeakPolarHBondContact O-CB 3.47Å; P132-L136 PolarHBondContact O-N 2.85Å
133Y88.2Confident84Confident25 Ų2558.9 Ų58.910%0.09832%0.319CS..Hα-helixtrans-57.3-49176.7174.1-106.6000111.8F37 R39 S61 W130 A135 L136 Q137F37-Y133 WeakPolarHBondContact O-CD2 3.33Å; R39-Y133 HydrophobicContact CB-CD1 4.48Å; R39-Y133 HydrophobicContact CB-CD2 4.02Å; R39-Y133 HydrophobicContact CB-CE1 4.22Å; R39-Y133 HydrophobicContact CB-CE2 3.75Å; R39-Y133 HydrophobicContact CB-CG 4.37Å; R39-Y133 HydrophobicContact CG-CD1 4.36Å; R39-Y133 HydrophobicContact CG-CE1 3.94Å; R39-Y133 HydrophobicContact CG-CE2 4.34Å; S61-Y133 PolarHBondContact OG-OH 3.36Å; S61-Y133 VanDerWaalsContact OG-OH 3.06Å; W130-Y133 AromaticContact CE3-CD1 3.87Å; W130-Y133 HydrophobicContact CE3-CD1 3.87Å; W130-Y133 HydrophobicContact CE3-CE1 4.34Å; W130-Y133 AromaticContact CZ3-CD1 3.9Å; W130-Y133 HydrophobicContact CZ3-CD1 3.9Å; W130-Y133 AromaticContact CZ3-CE1 3.94Å; W130-Y133 HydrophobicContact CZ3-CE1 3.94Å; Y133-A135 VanDerWaalsContact C-N 3.33Å; Y133-A135 PolarHBondContact O-N 3.11Å; Y133-L136 WeakPolarHBondContact O-CB 3.21Å; Y133-L136 PolarHBondContact O-N 3.44Å; Y133-Q137 HydrophobicContact CD1-CG 4.46Å; Y133-Q137 HydrophobicContact CD2-CG 4.49Å; Y133-Q137 HydrophobicContact CE1-CG 4.07Å; Y133-Q137 HydrophobicContact CE2-CG 4.1Å; Y133-Q137 VanDerWaalsContact CE2-OE1 3.3Å; Y133-Q137 WeakPolarHBondContact O-CG 3.49Å; Y133-Q137 PolarHBondContact O-N 3.45Å
134A90.3Very high85.1Confident5 Ų554.2 Ų54.24%0.04130%0.295CS..Hα-helixtrans-63.5-38.4179.900000112.3G117 I118 A119 W130 Q131 P132 Q137 A138G117-A134 VanDerWaalsContact CA-O 3.28Å; G117-A134 WeakPolarHBondContact CA-O 3.41Å; I118-A134 WeakPolarHBondContact O-CB 3.46Å; A119-A134 HydrophobicContact CB-CB 4.03Å; W130-A134 WeakPolarHBondContact O-CB 3.23Å; W130-A134 PolarHBondContact O-N 3.33Å; Q131-A134 PolarHBondContact O-N 2.93Å; P132-A134 PolarHBondContact O-N 3.15Å; A134-Q137 PolarHBondContact O-N 3.09Å; A134-A138 PolarHBondContact O-N 2.79Å
135A90.7Very high86.5Confident56 Ų5655.4 Ų55.446%0.46329%0.291SS..Hα-helixtrans-65-42.7176.200000111.8Q131 P132 Y133 A138 A139Q131-A135 WeakPolarHBondContact O-CB 3.35Å; Q131-A135 PolarHBondContact O-N 3.43Å; P132-A135 PolarHBondContact O-N 3.46Å; Y133-A135 VanDerWaalsContact C-N 3.33Å; Y133-A135 PolarHBondContact O-N 3.11Å; A135-A138 WeakPolarHBondContact O-CB 3.48Å; A135-A138 PolarHBondContact O-N 3.34Å; A135-A139 PolarHBondContact O-N 3.12Å
136L91.1Very high87.7Confident3 Ų355.9 Ų55.92%0.01629%0.289CS..Hα-helixtrans-59.4-46.7173.2167.874.6000111.6C22 L23 I26 F37 P132 Y133 A138 A139 A140C22-L136 HydrophobicContact CB-CD1 3.56Å; C22-L136 VanDerWaalsContact SG-CD1 3.51Å; L23-L136 HydrophobicContact CD1-CD2 3.79Å; L23-L136 HydrophobicContact CD2-CD2 3.38Å; L23-L136 HydrophobicContact CG-CD1 4.19Å; L23-L136 HydrophobicContact CG-CD2 3.34Å; L23-L136 HydrophobicContact CG-CG 4.37Å; I26-L136 HydrophobicContact CD1-CD1 4.14Å; F37-L136 HydrophobicContact CB-CD2 3.98Å; F37-L136 HydrophobicContact CD1-CB 3.8Å; F37-L136 HydrophobicContact CD1-CD2 4.46Å; F37-L136 HydrophobicContact CE1-CB 4.44Å; P132-L136 WeakPolarHBondContact O-CB 3.47Å; P132-L136 PolarHBondContact O-N 2.85Å; Y133-L136 WeakPolarHBondContact O-CB 3.21Å; Y133-L136 PolarHBondContact O-N 3.44Å; L136-A138 VanDerWaalsContact C-N 3.29Å; L136-A138 PolarHBondContact O-N 3.25Å; L136-A139 WeakPolarHBondContact O-CB 3.21Å; L136-A139 PolarHBondContact O-N 3.47Å; L136-A139 VanDerWaalsContact O-N 3.13Å; L136-A140 PolarHBondContact O-N 2.92Å
137Q90.4Very high88.8Confident29 Ų2953.3 Ų53.314%0.13628%0.283CS..Hα-helixtrans-60.1-41.3177.1-66.1-51.9131.800111.5S19 S61 Y133 A134 A139 A140 V141S19-Q137 PolarHBondContact OG-OE1 3.5Å; S61-Q137 VanDerWaalsContact CB-NE2 3.31Å; S61-Q137 PolarHBondContact OG-NE2 2.94Å; Y133-Q137 HydrophobicContact CD1-CG 4.46Å; Y133-Q137 HydrophobicContact CD2-CG 4.49Å; Y133-Q137 HydrophobicContact CE1-CG 4.07Å; Y133-Q137 HydrophobicContact CE2-CG 4.1Å; Y133-Q137 VanDerWaalsContact CE2-OE1 3.3Å; Y133-Q137 WeakPolarHBondContact O-CG 3.49Å; Y133-Q137 PolarHBondContact O-N 3.45Å; A134-Q137 PolarHBondContact O-N 3.09Å; Q137-A139 VanDerWaalsContact C-N 3.35Å; Q137-A140 PolarHBondContact O-N 3.25Å; Q137-V141 WeakPolarHBondContact O-CG2 3.24Å; Q137-V141 PolarHBondContact O-N 2.87Å
138A93.1Very high89.6Confident16 Ų1657.7 Ų57.713%0.13230%0.296CS..Hα-helixtrans-63.5-40175.200000112.2I115 A134 A135 L136 V141 M142I115-A138 HydrophobicContact CG2-CB 4.1Å; I115-A138 WeakPolarHBondContact CG2-O 3.44Å; A134-A138 PolarHBondContact O-N 2.79Å; A135-A138 WeakPolarHBondContact O-CB 3.48Å; A135-A138 PolarHBondContact O-N 3.34Å; L136-A138 VanDerWaalsContact C-N 3.29Å; L136-A138 PolarHBondContact O-N 3.25Å; A138-V141 PolarHBondContact O-N 3.48Å; A138-M142 PolarHBondContact O-N 3.04Å
139A92.9Very high90Very high43 Ų4355.4 Ų55.436%0.35529%0.291SS..Hα-helixtrans-65-40.2175.500000112.1A135 L136 Q137 V141 M142 K143A135-A139 PolarHBondContact O-N 3.12Å; L136-A139 WeakPolarHBondContact O-CB 3.21Å; L136-A139 PolarHBondContact O-N 3.47Å; L136-A139 VanDerWaalsContact O-N 3.13Å; Q137-A139 VanDerWaalsContact C-N 3.35Å; A139-V141 VanDerWaalsContact C-N 3.34Å; A139-V141 PolarHBondContact O-N 3.49Å; A139-M142 WeakPolarHBondContact O-CB 3.36Å; A139-M142 PolarHBondContact O-N 2.95Å; A139-K143 PolarHBondContact O-N 3.43Å
140A91.5Very high90.1Very high1 Ų158.8 Ų58.81%0.00832%0.32CS..Hα-helixtrans-60.1-44.9173.100000111.2W15 F18 L136 Q137 M142 K143 A144W15-A140 WeakPolarHBondContact CZ3-O 2.96Å; F18-A140 HydrophobicContact CB-CB 4.12Å; L136-A140 PolarHBondContact O-N 2.92Å; Q137-A140 PolarHBondContact O-N 3.25Å; A140-M142 VanDerWaalsContact C-N 3.31Å; A140-M142 PolarHBondContact O-N 2.92Å; A140-K143 PolarHBondContact O-N 3.17Å; A140-A144 PolarHBondContact O-N 3.24Å
141V90.8Very high90.2Very high20 Ų2059 Ų5912%0.12133%0.326CS..Hα-helixtrans-61.6-37.3174175.40000112.1W15 L63 I115 Q137 A138 A139 I145W15-V141 HydrophobicContact CD2-CG2 4.43Å; W15-V141 HydrophobicContact CE3-CB 4.36Å; W15-V141 HydrophobicContact CE3-CG2 4.39Å; W15-V141 WeakPolarHBondContact CH2-O 3.41Å; W15-V141 VanDerWaalsContact CZ3-C 3.45Å; W15-V141 HydrophobicContact CZ3-CB 4.41Å; W15-V141 HydrophobicContact CZ3-CG1 4.44Å; W15-V141 WeakPolarHBondContact CZ3-O 3.36Å; L63-V141 HydrophobicContact CD1-CG1 4.18Å; L63-V141 HydrophobicContact CD1-CG2 4.26Å; I115-V141 HydrophobicContact CG2-CB 3.97Å; I115-V141 HydrophobicContact CG2-CG1 3.79Å; Q137-V141 WeakPolarHBondContact O-CG2 3.24Å; Q137-V141 PolarHBondContact O-N 2.87Å; A138-V141 PolarHBondContact O-N 3.48Å; A139-V141 VanDerWaalsContact C-N 3.34Å; A139-V141 PolarHBondContact O-N 3.49Å; V141-I145 HydrophobicContact CG1-CD1 4.04Å; V141-I145 VanDerWaalsContact O-CG1 3.25Å; V141-I145 WeakPolarHBondContact O-CG1 3.37Å; V141-I145 PolarHBondContact O-N 3.41Å
142M93.6Very high90.3Very high106 Ų10657.1 Ų57.152%0.52232%0.319SS..Hα-helixtrans-66.1-45.3173.6-178.4176.7174.800111.5I115 A138 A139 A140 A144 I145 I146I115-M142 HydrophobicContact CD1-CB 3.85Å; I115-M142 HydrophobicContact CD1-CG 4.26Å; A138-M142 PolarHBondContact O-N 3.04Å; A139-M142 WeakPolarHBondContact O-CB 3.36Å; A139-M142 PolarHBondContact O-N 2.95Å; A140-M142 VanDerWaalsContact C-N 3.31Å; A140-M142 PolarHBondContact O-N 2.92Å; M142-A144 PolarHBondContact O-N 3.46Å; M142-I145 PolarHBondContact O-N 3.03Å; M142-I146 HydrophobicContact CE-CD1 3.76Å; M142-I146 HydrophobicContact CG-CD1 3.82Å; M142-I146 WeakPolarHBondContact O-CG1 3.47Å; M142-I146 PolarHBondContact O-N 3.3Å
143K91.9Very high90.4Very high78 Ų7859.3 Ų59.334%0.33933%0.331SS..Hα-helixtrans-56.8-53.1-177.2-177.3176.5175.9-166.90111.6F18 D21 A139 A140 I145 I146 L147F18-K143 HydrophobicContact CB-CD 4.18Å; F18-K143 HydrophobicContact CD1-CD 3.55Å; F18-K143 HydrophobicContact CD1-CG 3.83Å; F18-K143 HydrophobicContact CE1-CD 4.37Å; F18-K143 HydrophobicContact CE1-CG 4.38Å; F18-K143 HydrophobicContact CG-CD 4.23Å; F18-K143 HydrophobicContact CG-CG 4.39Å; D21-K143 IonicContact OD2-NZ 3.1Å; D21-K143 PolarHBondContact OD2-NZ 3.04Å; A139-K143 PolarHBondContact O-N 3.43Å; A140-K143 PolarHBondContact O-N 3.17Å; K143-I145 PolarHBondContact O-N 3.07Å; K143-I146 PolarHBondContact O-N 3.5Å; K143-L147 HydrophobicContact CG-CD1 3.98Å; K143-L147 WeakPolarHBondContact O-CG 3.41Å; K143-L147 PolarHBondContact O-N 3.16Å
144A90.8Very high90.5Very high1 Ų161.3 Ų61.31%0.00834%0.344CS..Hα-helixtrans-76.7-18.9179.500000115.3A13 W15 F18 A140 M142 I146 K148A13-A144 HydrophobicContact CB-CB 4.04Å; W15-A144 HydrophobicContact CD2-CB 4.13Å; W15-A144 HydrophobicContact CE3-CB 3.25Å; W15-A144 VanDerWaalsContact CH2-C 3.41Å; W15-A144 HydrophobicContact CH2-CB 3.39Å; W15-A144 HydrophobicContact CZ2-CB 4.21Å; W15-A144 VanDerWaalsContact CZ3-C 3.41Å; W15-A144 HydrophobicContact CZ3-CB 2.86Å; F18-A144 HydrophobicContact CD2-CB 3.27Å; F18-A144 HydrophobicContact CE1-CB 4.45Å; F18-A144 HydrophobicContact CE2-CB 3.09Å; F18-A144 HydrophobicContact CG-CB 4.07Å; F18-A144 HydrophobicContact CZ-CB 3.71Å; A140-A144 PolarHBondContact O-N 3.24Å; M142-A144 PolarHBondContact O-N 3.46Å; A144-I146 VanDerWaalsContact C-N 3.35Å; A144-K148 VanDerWaalsContact O-CB 3.32Å; A144-K148 WeakPolarHBondContact O-CB 3.2Å; A144-K148 VanDerWaalsContact O-CG 3.23Å; A144-K148 WeakPolarHBondContact O-CG 3.36Å; A144-K148 PolarHBondContact O-N 3.17Å; A144-K148 VanDerWaalsContact O-N 3.14Å
145I90.1Very high90.5Very high65 Ų6564.8 Ų64.833%0.33336%0.363SS..Hα-helixtrans-62.6-51.7167.5-73.6171.6000107.6W15 I115 V141 M142 K143 L147 K148 L149W15-I145 HydrophobicContact CH2-CB 4.45Å; W15-I145 HydrophobicContact CH2-CG1 3.7Å; W15-I145 VanDerWaalsContact CH2-N 3.27Å; W15-I145 HydrophobicContact CZ3-CG1 4.36Å; W15-I145 VanDerWaalsContact CZ3-N 3.33Å; I115-I145 HydrophobicContact CD1-CD1 3.71Å; I115-I145 HydrophobicContact CG1-CD1 4.36Å; V141-I145 HydrophobicContact CG1-CD1 4.04Å; V141-I145 VanDerWaalsContact O-CG1 3.25Å; V141-I145 WeakPolarHBondContact O-CG1 3.37Å; V141-I145 PolarHBondContact O-N 3.41Å; M142-I145 PolarHBondContact O-N 3.03Å; K143-I145 PolarHBondContact O-N 3.07Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 3.04Å; I145-K148 CarbonylContact O-C 3.55Å; I145-K148 PolarHBondContact O-N 3.06Å; I145-L149 WeakPolarHBondContact O-CG 3.44Å; I145-L149 PolarHBondContact O-N 3.38Å
146I92.7Very high90.5Very high92 Ų9265.4 Ų65.447%0.47236%0.357SS..Hα-helixtrans-57.3-46.1-179.9-68.9169.9000111.4M142 K143 A144 K148 L149M142-I146 HydrophobicContact CE-CD1 3.76Å; M142-I146 HydrophobicContact CG-CD1 3.82Å; M142-I146 WeakPolarHBondContact O-CG1 3.47Å; M142-I146 PolarHBondContact O-N 3.3Å; K143-I146 PolarHBondContact O-N 3.5Å; A144-I146 VanDerWaalsContact C-N 3.35Å; I146-K148 PolarHBondContact O-N 2.71Å; I146-L149 WeakPolarHBondContact O-CB 3.05Å; I146-L149 PolarHBondContact O-N 3.25Å
147L90.2Very high90.5Very high106 Ų10669.9 Ų69.956%0.55538%0.381SS*.Hα-helixtrans-69.3-14.8-179.8-67173.6000114.2F18 K143 I145F18-L147 HydrophobicContact CD1-CD1 4.15Å; F18-L147 HydrophobicContact CE1-CD1 3.29Å; F18-L147 HydrophobicContact CZ-CD1 3.76Å; K143-L147 HydrophobicContact CG-CD1 3.98Å; K143-L147 WeakPolarHBondContact O-CG 3.41Å; K143-L147 PolarHBondContact O-N 3.16Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 3.04Å
148K87.2Confident90.5Very high110 Ų11073 Ų7348%0.47840%0.4SS..THydrogen-bonded Turntrans-106.43.6176.1-65.1-67.4-168.1176.10112.4D11 A144 I145 I146D11-K148 IonicContact OD1-NZ 2.79Å; D11-K148 PolarHBondContact OD1-NZ 3.1Å; D11-K148 VanDerWaalsContact OD1-NZ 3.1Å; D11-K148 IonicContact OD2-NZ 3.26Å; D11-K148 PolarHBondContact OD2-NZ 2.87Å; A144-K148 VanDerWaalsContact O-CB 3.32Å; A144-K148 WeakPolarHBondContact O-CB 3.2Å; A144-K148 VanDerWaalsContact O-CG 3.23Å; A144-K148 WeakPolarHBondContact O-CG 3.36Å; A144-K148 PolarHBondContact O-N 3.17Å; A144-K148 VanDerWaalsContact O-N 3.14Å; I145-K148 CarbonylContact O-C 3.55Å; I145-K148 PolarHBondContact O-N 3.06Å; I146-K148 PolarHBondContact O-N 2.71Å
149L86.9Confident90.3Very high114 Ų11477.8 Ų77.860%0.59742%0.422SS*.  trans-70.6137.5167.6-69.2176.5000109I145 I146I145-L149 WeakPolarHBondContact O-CG 3.44Å; I145-L149 PolarHBondContact O-N 3.38Å; I146-L149 WeakPolarHBondContact O-CB 3.05Å; I146-L149 PolarHBondContact O-N 3.25Å
150P84.6Confident90Very high197 Ų19780.9 Ų80.9100%1.27943%0.428SS*.  trans-69.30-17929.4-35.1000113.6

Retrieved 150 of 150 residues in 816.6 ms (Link to these results)