A0A077ZF46_TRITR Loading...

MIF4G domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZF46, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 215 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
1M35.7Very low35Very low191 Ų191108.1 Ų108.194%0.94157%0.566SS**  0-49.40-143.3173.7-116.800112.4T4 L5M1-T4 WeakPolarHBondContact O-CB 3.41Å; M1-T4 PolarHBondContact O-N 2.81Å; M1-L5 WeakPolarHBondContact O-CG 3.3Å; M1-L5 PolarHBondContact O-N 3.19Å
2I34.9Very low35.2Very low65 Ų65117.1 Ų117.133%0.33359%0.587SS.*Hα-helixtrans-73.4-41.9179.5-63.1175.5000113.7T4 L5 L6 Q32I2-T4 PolarHBondContact O-N 3.44Å; I2-L5 PolarHBondContact O-N 3.22Å; I2-L5 VanDerWaalsContact O-N 3.16Å; I2-L6 HydrophobicContact CG2-CD1 3.95Å; I2-L6 PolarHBondContact O-N 3.01Å; I2-Q32 HydrophobicContact CD1-CB 4.38Å; I2-Q32 HydrophobicContact CD1-CG 3.5Å
3K29.7Very low36.2Very low170 Ų170113.2 Ų113.274%0.73958%0.584SS**Hα-helixtrans-56.3-38.5170-82.7-176.9174.1179.10111.5F7K3-F7 VanDerWaalsContact O-CB 3.29Å; K3-F7 WeakPolarHBondContact O-CB 3.09Å; K3-F7 VanDerWaalsContact O-CD2 3.3Å; K3-F7 WeakPolarHBondContact O-CD2 3.44Å; K3-F7 PolarHBondContact O-N 2.54Å
4T32Very low37.1Very low107 Ų107109.9 Ų109.966%0.65657%0.566SS**Hα-helixtrans-70.5-37.9177.4-35.50000112.4M1 I2 G8M1-T4 WeakPolarHBondContact O-CB 3.41Å; M1-T4 PolarHBondContact O-N 2.81Å; I2-T4 PolarHBondContact O-N 3.44Å; T4-G8 PolarHBondContact O-N 2.83Å
5L35.1Very low37.9Very low107 Ų107104.9 Ų104.956%0.5654%0.543SS*.Hα-helixtrans-69.9-35.6176.9-81.4158.8000112.3M1 I2 W9M1-L5 WeakPolarHBondContact O-CG 3.3Å; M1-L5 PolarHBondContact O-N 3.19Å; I2-L5 PolarHBondContact O-N 3.22Å; I2-L5 VanDerWaalsContact O-N 3.16Å; L5-W9 PolarHBondContact O-NE1 3.18Å
6L37.2Very low39Very low56 Ų56104.6 Ų104.629%0.29355%0.55SS..Hα-helixtrans-87-32.8-179.4-70.2168.2000113.5I2 G8 W9 V39I2-L6 HydrophobicContact CG2-CD1 3.95Å; I2-L6 PolarHBondContact O-N 3.01Å; L6-G8 VanDerWaalsContact C-N 3.29Å; L6-G8 PolarHBondContact O-N 3.31Å; L6-W9 PolarHBondContact O-N 3.3Å; L6-V39 HydrophobicContact CD1-CG2 4.24Å
7F36Very low39.6Very low160 Ų160100.8 Ų100.870%0.70253%0.53SS*.Hα-helixtrans-74.2-18.6173.3-87.1-93.9000113.4K3 W9K3-F7 VanDerWaalsContact O-CB 3.29Å; K3-F7 WeakPolarHBondContact O-CB 3.09Å; K3-F7 VanDerWaalsContact O-CD2 3.3Å; K3-F7 WeakPolarHBondContact O-CD2 3.44Å; K3-F7 PolarHBondContact O-N 2.54Å; F7-W9 VanDerWaalsContact C-N 3.34Å
8G32.6Very low40.5Very low62 Ų62100.4 Ų100.464%0.63953%0.534SS*.THydrogen-bonded Turntrans-80.3-12.8171.900000113.9T4 L6 N10T4-G8 PolarHBondContact O-N 2.83Å; L6-G8 VanDerWaalsContact C-N 3.29Å; L6-G8 PolarHBondContact O-N 3.31Å; G8-N10 PolarHBondContact O-N 3.2Å
9W34.8Very low41.5Very low88 Ų8896.2 Ų96.233%0.33351%0.514SS..SBendtrans-79.4108.6173.8-73.939.8000106.6L5 L6 F7 V11 P15 W23L5-W9 PolarHBondContact O-NE1 3.18Å; L6-W9 PolarHBondContact O-N 3.3Å; F7-W9 VanDerWaalsContact C-N 3.34Å; W9-V11 PolarHBondContact O-N 2.99Å; W9-P15 HydrophobicContact CH2-CG 4.41Å; W9-P15 HydrophobicContact CZ3-CG 3.99Å; W9-W23 AromaticContact CH2-CH2 3.75Å; W9-W23 HydrophobicContact CH2-CH2 3.75Å; W9-W23 AromaticContact CH2-CZ2 3.73Å; W9-W23 HydrophobicContact CH2-CZ2 3.73Å; W9-W23 HydrophobicContact CH2-CZ3 4.36Å; W9-W23 AromaticContact CZ2-CH2 3.37Å; W9-W23 HydrophobicContact CZ2-CH2 3.37Å; W9-W23 AromaticContact CZ2-CZ2 3.79Å; W9-W23 HydrophobicContact CZ2-CZ2 3.79Å; W9-W23 HydrophobicContact CZ2-CZ3 4.03Å
10N36.2Very low42.4Very low109 Ų10992 Ų9258%0.58349%0.491SS*.  trans-47.1113.4162.4-175.7-20000106G8 R12 A13G8-N10 PolarHBondContact O-N 3.2Å; N10-R12 CarbonylContact O-C 3.51Å; N10-R12 PolarHBondContact O-N 2.88Å; N10-R12 WeakPolarHBondContact OD1-CB 3.32Å; N10-R12 PolarHBondContact OD1-N 3.37Å; N10-A13 PolarHBondContact O-N 3.32Å
11V41.2Very low43.1Very low74 Ų7492 Ų9245%0.44849%0.488SS..G310 helixtrans-51.5-21.6-171.6173.30000111W9 L43 K49W9-V11 PolarHBondContact O-N 2.99Å; V11-L43 HydrophobicContact CB-CD2 4.44Å; V11-L43 HydrophobicContact CG1-CD2 3.5Å; V11-L43 VanDerWaalsContact CG1-CD2 3.5Å; V11-L43 HydrophobicContact CG2-CD2 4.13Å; V11-K49 WeakPolarHBondContact O-CE 3.47Å; V11-K49 PolarHBondContact O-NZ 2.96Å
12R37.2Very low44.4Very low216 Ų21687.2 Ų87.282%0.81547%0.465SS*.G310 helixtrans-67.6-25.9172.8-63.6-175-177.3-174.61.5115.9N10 K49N10-R12 CarbonylContact O-C 3.51Å; N10-R12 PolarHBondContact O-N 2.88Å; N10-R12 WeakPolarHBondContact OD1-CB 3.32Å; N10-R12 PolarHBondContact OD1-N 3.37Å; R12-K49 PolarHBondContact O-NZ 3.35Å
13A48.6Very low45.8Very low66 Ų6690.3 Ų90.355%0.54547%0.472SS..G310 helixtrans-101.632.4-171.200000114.9N10N10-A13 PolarHBondContact O-N 3.32Å
14M48.1Very low47.4Very low68 Ų6882.3 Ų82.334%0.33544%0.438SS..PPolyproline II helixtrans-70.4139.9176.8-158.1165.3-168.200110.1L20 L40 L43M14-L20 HydrophobicContact CE-CD1 3.6Å; M14-L20 HydrophobicContact CE-CD2 3.74Å; M14-L20 HydrophobicContact CE-CG 4.18Å; M14-L20 HydrophobicContact CG-CD1 3.68Å; M14-L20 HydrophobicContact SD-CD1 4.07Å; M14-L40 HydrophobicContact CE-CD2 3.64Å; M14-L43 HydrophobicContact CE-CD1 4Å; M14-L43 HydrophobicContact SD-CD1 3.93Å
15P50Low48.9Very low34 Ų3480.7 Ų80.722%0.22143%0.431CS..PPolyproline II helixtrans-81.5160.3-167.738.4-30.9000109.7W9 S19 L20W9-P15 HydrophobicContact CH2-CG 4.41Å; W9-P15 HydrophobicContact CZ3-CG 3.99Å; P15-S19 WeakPolarHBondContact CB-OG 3.41Å; P15-S19 VanDerWaalsContact CG-OG 3.3Å; P15-S19 WeakPolarHBondContact CG-OG 3.19Å; P15-L20 HydrophobicContact CG-CD1 4.48Å; P15-L20 HydrophobicContact CG-CG 4.47Å
16P54.7Low50.3Low100 Ų10082.4 Ų82.465%0.64943%0.433SS*.PPolyproline II helixtrans-60.3146.9-174.422.6-32.4000112.2P18 S19P16-P18 VanDerWaalsContact C-CD 3.41Å; P16-P18 WeakPolarHBondContact O-CD 3.47Å; P16-S19 WeakPolarHBondContact O-CA 3.3Å; P16-S19 VanDerWaalsContact O-CB 3.32Å; P16-S19 WeakPolarHBondContact O-CB 3.29Å; P16-S19 PolarHBondContact O-N 3.49Å; P16-S19 PolarHBondContact O-OG 2.61Å
17L49.9Very low51.7Low41 Ų4180.2 Ų80.222%0.21542%0.423CS..Hα-helixtrans-37.1-49-172.9-88.2162.6000117S19 L20 E21 V53 K56 L57L17-S19 PolarHBondContact O-N 2.76Å; L17-L20 WeakPolarHBondContact O-CB 3.48Å; L17-L20 PolarHBondContact O-N 2.94Å; L17-E21 PolarHBondContact O-N 3.2Å; L17-E21 VanDerWaalsContact O-N 3.17Å; L17-V53 HydrophobicContact CD1-CG2 4.33Å; L17-V53 HydrophobicContact CD2-CB 4.29Å; L17-V53 HydrophobicContact CD2-CG1 3.74Å; L17-V53 HydrophobicContact CG-CG1 4.17Å; L17-V53 HydrophobicContact CG-CG2 4.35Å; L17-K56 HydrophobicContact CD1-CD 3.59Å; L17-K56 HydrophobicContact CD2-CB 3.92Å; L17-K56 HydrophobicContact CD2-CD 4.25Å; L17-L57 HydrophobicContact CD2-CD2 4.08Å; L17-L57 HydrophobicContact CD2-CG 4.18Å
18P55.9Low53Low94 Ų9477.4 Ų77.461%0.6142%0.423SS*.Hα-helixtrans-60-32.1178.8-2434.5000113.7P16 L20 M22P16-P18 VanDerWaalsContact C-CD 3.41Å; P16-P18 WeakPolarHBondContact O-CD 3.47Å; P18-L20 VanDerWaalsContact C-N 3.31Å; P18-M22 WeakPolarHBondContact O-CB 3.46Å; P18-M22 PolarHBondContact O-N 3.16Å
19S59.3Low55.1Low20 Ų2076.7 Ų76.714%0.1441%0.408CS..Hα-helixtrans-71.3-29.717670.80000112.2P15 P16 L17 M22 W23P15-S19 WeakPolarHBondContact CB-OG 3.41Å; P15-S19 VanDerWaalsContact CG-OG 3.3Å; P15-S19 WeakPolarHBondContact CG-OG 3.19Å; P16-S19 WeakPolarHBondContact O-CA 3.3Å; P16-S19 VanDerWaalsContact O-CB 3.32Å; P16-S19 WeakPolarHBondContact O-CB 3.29Å; P16-S19 PolarHBondContact O-N 3.49Å; P16-S19 PolarHBondContact O-OG 2.61Å; L17-S19 PolarHBondContact O-N 2.76Å; S19-M22 CarbonylContact O-C 3.57Å; S19-M22 PolarHBondContact O-N 3.27Å; S19-W23 WeakPolarHBondContact O-CB 3.47Å; S19-W23 PolarHBondContact O-N 2.78Å
20L58.5Low57.1Low11 Ų1173.5 Ų73.56%0.05840%0.403CS..Hα-helixtrans-77.4-39.5-178.1-122.1150.1000111.4M14 P15 L17 P18 M22 W23 I24 L57M14-L20 HydrophobicContact CE-CD1 3.6Å; M14-L20 HydrophobicContact CE-CD2 3.74Å; M14-L20 HydrophobicContact CE-CG 4.18Å; M14-L20 HydrophobicContact CG-CD1 3.68Å; M14-L20 HydrophobicContact SD-CD1 4.07Å; P15-L20 HydrophobicContact CG-CD1 4.48Å; P15-L20 HydrophobicContact CG-CG 4.47Å; L17-L20 WeakPolarHBondContact O-CB 3.48Å; L17-L20 PolarHBondContact O-N 2.94Å; P18-L20 VanDerWaalsContact C-N 3.31Å; L20-M22 VanDerWaalsContact C-N 3.3Å; L20-M22 PolarHBondContact O-N 3.49Å; L20-W23 WeakPolarHBondContact O-CB 3.41Å; L20-W23 PolarHBondContact O-N 3.11Å; L20-W23 VanDerWaalsContact O-N 3.14Å; L20-I24 WeakPolarHBondContact O-CG1 3.1Å; L20-I24 PolarHBondContact O-N 2.99Å; L20-L57 HydrophobicContact CB-CD1 4.31Å; L20-L57 HydrophobicContact CB-CD2 3.59Å; L20-L57 HydrophobicContact CD1-CD1 4.02Å; L20-L57 HydrophobicContact CD2-CD1 3.5Å; L20-L57 HydrophobicContact CD2-CD2 4.07Å; L20-L57 HydrophobicContact CD2-CG 4.39Å; L20-L57 HydrophobicContact CG-CD1 4.14Å; L20-L57 HydrophobicContact CG-CD2 4.3Å
21E58.4Low59.3Low93 Ų9375.6 Ų75.644%0.43541%0.409SS..Hα-helixtrans-59.2-43.6167.9-68.6176.5-176.300111L17 W23 I24 S25 L57L17-E21 PolarHBondContact O-N 3.2Å; L17-E21 VanDerWaalsContact O-N 3.17Å; E21-W23 VanDerWaalsContact C-N 3.29Å; E21-W23 PolarHBondContact O-N 3.16Å; E21-I24 PolarHBondContact O-N 2.97Å; E21-S25 WeakPolarHBondContact O-CB 3.29Å; E21-S25 PolarHBondContact O-N 2.84Å; E21-S25 PolarHBondContact O-OG 3.14Å; E21-L57 HydrophobicContact CG-CD2 4.12Å
22M63Low61.2Low91 Ų9174.4 Ų74.445%0.44840%0.398SS..Hα-helixtrans-65.3-29.9174.3-178.4-179.649.500112.9P18 S19 L20 S25 K26P18-M22 WeakPolarHBondContact O-CB 3.46Å; P18-M22 PolarHBondContact O-N 3.16Å; S19-M22 CarbonylContact O-C 3.57Å; S19-M22 PolarHBondContact O-N 3.27Å; L20-M22 VanDerWaalsContact C-N 3.3Å; L20-M22 PolarHBondContact O-N 3.49Å; M22-S25 WeakPolarHBondContact CA-OG 3.42Å; M22-S25 PolarHBondContact O-OG 3.09Å; M22-K26 HydrophobicContact CG-CD 4.45Å; M22-K26 WeakPolarHBondContact O-CD 3.38Å; M22-K26 WeakPolarHBondContact O-CG 3.32Å; M22-K26 PolarHBondContact O-N 3.38Å
23W63.7Low63.1Low129 Ų12964.1 Ų64.149%0.48936%0.36SS..Hα-helixtrans-74.6-41.7174.3-92.859.3000111.5W9 S19 L20 E21 S25 K26 C27W9-W23 AromaticContact CH2-CH2 3.75Å; W9-W23 HydrophobicContact CH2-CH2 3.75Å; W9-W23 AromaticContact CH2-CZ2 3.73Å; W9-W23 HydrophobicContact CH2-CZ2 3.73Å; W9-W23 HydrophobicContact CH2-CZ3 4.36Å; W9-W23 AromaticContact CZ2-CH2 3.37Å; W9-W23 HydrophobicContact CZ2-CH2 3.37Å; W9-W23 AromaticContact CZ2-CZ2 3.79Å; W9-W23 HydrophobicContact CZ2-CZ2 3.79Å; W9-W23 HydrophobicContact CZ2-CZ3 4.03Å; S19-W23 WeakPolarHBondContact O-CB 3.47Å; S19-W23 PolarHBondContact O-N 2.78Å; L20-W23 WeakPolarHBondContact O-CB 3.41Å; L20-W23 PolarHBondContact O-N 3.11Å; L20-W23 VanDerWaalsContact O-N 3.14Å; E21-W23 VanDerWaalsContact C-N 3.29Å; E21-W23 PolarHBondContact O-N 3.16Å; W23-S25 VanDerWaalsContact C-N 3.32Å; W23-S25 PolarHBondContact O-N 3.47Å; W23-K26 PolarHBondContact O-N 3.08Å; W23-K26 VanDerWaalsContact O-N 3.09Å; W23-C27 PolarHBondContact O-N 3.17Å
24I62.6Low64.8Low3 Ų362 Ų622%0.01534%0.342CS..Hα-helixtrans-62.9-41.7175.3-67.1166.4000109.8L20 E21 K26 C27 I36 L57 C60 F66L20-I24 WeakPolarHBondContact O-CG1 3.1Å; L20-I24 PolarHBondContact O-N 2.99Å; E21-I24 PolarHBondContact O-N 2.97Å; I24-K26 PolarHBondContact O-N 3.49Å; I24-C27 VanDerWaalsContact O-CB 3.29Å; I24-C27 WeakPolarHBondContact O-CB 3.49Å; I24-C27 PolarHBondContact O-N 3.35Å; I24-C27 VanDerWaalsContact O-N 3.08Å; I24-C27 PolarHBondContact O-SG 3.22Å; I24-I36 HydrophobicContact CG1-CG2 4.36Å; I24-L57 HydrophobicContact CD1-CB 4.06Å; I24-L57 HydrophobicContact CD1-CD2 4.04Å; I24-C60 HydrophobicContact CG2-CB 4.01Å; I24-F66 HydrophobicContact CD1-CE2 3.94Å; I24-F66 HydrophobicContact CD1-CZ 4.07Å; I24-F66 HydrophobicContact CG1-CE2 4.29Å; I24-F66 HydrophobicContact CG2-CD2 4.32Å; I24-F66 HydrophobicContact CG2-CE2 4.39Å
25S63.4Low66.5Low73 Ų7360.7 Ų60.751%0.5134%0.34SS..THydrogen-bonded Turntrans-68-14.7175.771.10000114.1E21 M22 W23E21-S25 WeakPolarHBondContact O-CB 3.29Å; E21-S25 PolarHBondContact O-N 2.84Å; E21-S25 PolarHBondContact O-OG 3.14Å; M22-S25 WeakPolarHBondContact CA-OG 3.42Å; M22-S25 PolarHBondContact O-OG 3.09Å; W23-S25 VanDerWaalsContact C-N 3.32Å; W23-S25 PolarHBondContact O-N 3.47Å
26K65.7Low67.9Low142 Ų14260.6 Ų60.662%0.61734%0.337SS*.THydrogen-bonded Turntrans-93.52.4173.1-74.8175-178.4-177.30113.7M22 W23 I24 S28M22-K26 HydrophobicContact CG-CD 4.45Å; M22-K26 WeakPolarHBondContact O-CD 3.38Å; M22-K26 WeakPolarHBondContact O-CG 3.32Å; M22-K26 PolarHBondContact O-N 3.38Å; W23-K26 PolarHBondContact O-N 3.08Å; W23-K26 VanDerWaalsContact O-N 3.09Å; I24-K26 PolarHBondContact O-N 3.49Å; K26-S28 PolarHBondContact O-N 3.32Å; K26-S28 VanDerWaalsContact O-N 3.16Å
27C66.3Low69.1Low11 Ų1155.8 Ų55.87%0.07431%0.306CS..  trans-58.8120.6176-69.40000110W23 I24 S29 Q32 A33 I36 Y63W23-C27 PolarHBondContact O-N 3.17Å; I24-C27 VanDerWaalsContact O-CB 3.29Å; I24-C27 WeakPolarHBondContact O-CB 3.49Å; I24-C27 PolarHBondContact O-N 3.35Å; I24-C27 VanDerWaalsContact O-N 3.08Å; I24-C27 PolarHBondContact O-SG 3.22Å; C27-S29 VanDerWaalsContact C-N 3.31Å; C27-S29 PolarHBondContact O-N 3.41Å; C27-Q32 HydrophobicContact CB-CB 4.41Å; C27-A33 HydrophobicContact CB-CB 4.32Å; C27-I36 WeakPolarHBondContact SG-CD1 3.28Å; C27-Y63 PolarHBondContact O-OH 2.89Å
28S63.2Low70.6Confident101 Ų10157 Ų5771%0.70631%0.31SS*.SBendtrans-82.8-10.1-175.365.70000113K26 Q32K26-S28 PolarHBondContact O-N 3.32Å; K26-S28 VanDerWaalsContact O-N 3.16Å; S28-Q32 VanDerWaalsContact OG-CD 3.32Å; S28-Q32 PolarHBondContact OG-NE2 3.27Å; S28-Q32 PolarHBondContact OG-OE1 3.27Å; S28-Q32 VanDerWaalsContact OG-OE1 3.11Å
29S75.4Confident71.8Confident46 Ų4654.3 Ų54.332%0.32229%0.292SS..SBendtrans-151.5156.8173.279.10000112.5C27 E31 Q32 A33C27-S29 VanDerWaalsContact C-N 3.31Å; C27-S29 PolarHBondContact O-N 3.41Å; S29-E31 PolarHBondContact O-N 2.95Å; S29-Q32 WeakPolarHBondContact O-CB 3.38Å; S29-Q32 PolarHBondContact O-N 2.91Å; S29-Q32 VanDerWaalsContact O-N 3.13Å; S29-Q32 WeakPolarHBondContact OG-CG 3.28Å; S29-A33 PolarHBondContact O-N 3.46Å
30G77.8Confident72.7Confident21 Ų2153.4 Ų53.422%0.21629%0.286CS..Hα-helixtrans-60.1-30.6176.100000113.7Q32 A33 A34 E65G30-Q32 VanDerWaalsContact C-N 3.34Å; G30-Q32 PolarHBondContact O-N 3.36Å; G30-A33 PolarHBondContact O-N 3.13Å; G30-A34 WeakPolarHBondContact O-CB 3.44Å; G30-A34 PolarHBondContact O-N 3.49Å; G30-E65 VanDerWaalsContact O-CB 3.3Å; G30-E65 WeakPolarHBondContact O-CB 3.25Å
31E83.1Confident73.6Confident153 Ų15352.9 Ų52.972%0.71528%0.283SS*.Hα-helixtrans-63.8-38.1175.1-171.8-175.8175.300112.2S29 S35S29-E31 PolarHBondContact O-N 2.95Å; E31-S35 WeakPolarHBondContact O-CB 3.5Å; E31-S35 PolarHBondContact O-N 3.36Å; E31-S35 PolarHBondContact O-OG 3.1Å
32Q79.5Confident74.6Confident49 Ų4951.5 Ų51.523%0.22928%0.277CS..Hα-helixtrans-65.8-44.8175.1-57.8-174.6-13.600110.7I2 C27 S28 S29 G30 A34 S35 I36I2-Q32 HydrophobicContact CD1-CB 4.38Å; I2-Q32 HydrophobicContact CD1-CG 3.5Å; C27-Q32 HydrophobicContact CB-CB 4.41Å; S28-Q32 VanDerWaalsContact OG-CD 3.32Å; S28-Q32 PolarHBondContact OG-NE2 3.27Å; S28-Q32 PolarHBondContact OG-OE1 3.27Å; S28-Q32 VanDerWaalsContact OG-OE1 3.11Å; S29-Q32 WeakPolarHBondContact O-CB 3.38Å; S29-Q32 PolarHBondContact O-N 2.91Å; S29-Q32 VanDerWaalsContact O-N 3.13Å; S29-Q32 WeakPolarHBondContact OG-CG 3.28Å; G30-Q32 VanDerWaalsContact C-N 3.34Å; G30-Q32 PolarHBondContact O-N 3.36Å; Q32-A34 PolarHBondContact O-N 3.24Å; Q32-S35 PolarHBondContact O-N 3.49Å; Q32-I36 VanDerWaalsContact O-CG1 3.28Å; Q32-I36 WeakPolarHBondContact O-CG1 3.44Å; Q32-I36 PolarHBondContact O-N 3.2Å
33A77.9Confident75.1Confident0 Ų048.7 Ų48.70%026%0.263CS..Hα-helixtrans-60.6-46.2178.300000111.2C27 S29 G30 S35 I36 A37 Y63 F66C27-A33 HydrophobicContact CB-CB 4.32Å; S29-A33 PolarHBondContact O-N 3.46Å; G30-A33 PolarHBondContact O-N 3.13Å; A33-S35 VanDerWaalsContact C-N 3.34Å; A33-S35 PolarHBondContact O-N 2.87Å; A33-I36 PolarHBondContact O-N 3.28Å; A33-A37 PolarHBondContact O-N 3.24Å; A33-Y63 HydrophobicContact CB-CD2 4.36Å; A33-Y63 HydrophobicContact CB-CG 4.09Å; A33-F66 HydrophobicContact CB-CB 4.08Å; A33-F66 HydrophobicContact CB-CD2 4.38Å; A33-F66 WeakPolarHBondContact O-CD2 3.33Å
34A83.5Confident75.4Confident21 Ų2142.6 Ų42.617%0.17424%0.24CC..Hα-helixtrans-61.2-41175.700000112.7G30 Q32 A37 Q38 E65 G69G30-A34 WeakPolarHBondContact O-CB 3.44Å; G30-A34 PolarHBondContact O-N 3.49Å; Q32-A34 PolarHBondContact O-N 3.24Å; A34-A37 WeakPolarHBondContact O-CB 3.34Å; A34-A37 PolarHBondContact O-N 3.15Å; A34-Q38 WeakPolarHBondContact O-CG 3.35Å; A34-Q38 PolarHBondContact O-N 3.03Å; A34-Q38 VanDerWaalsContact O-N 3.09Å; A34-E65 WeakPolarHBondContact CA-O 3.38Å; A34-E65 VanDerWaalsContact CB-O 3.29Å; A34-E65 WeakPolarHBondContact CB-O 3.44Å; A34-G69 WeakPolarHBondContact O-CA 3.46Å
35S84Confident75.9Confident41 Ų4142.9 Ų42.929%0.28724%0.242SC..Hα-helixtrans-66.1-42.6178.2-61.70000112.1E31 Q32 A33 A37 Q38 V39E31-S35 WeakPolarHBondContact O-CB 3.5Å; E31-S35 PolarHBondContact O-N 3.36Å; E31-S35 PolarHBondContact O-OG 3.1Å; Q32-S35 PolarHBondContact O-N 3.49Å; A33-S35 VanDerWaalsContact C-N 3.34Å; A33-S35 PolarHBondContact O-N 2.87Å; S35-A37 VanDerWaalsContact C-N 3.32Å; S35-A37 PolarHBondContact O-N 3.49Å; S35-Q38 PolarHBondContact O-N 3.16Å; S35-V39 WeakPolarHBondContact O-CG2 3.02Å; S35-V39 PolarHBondContact O-N 2.82Å
36I79.7Confident76.4Confident32 Ų3242.9 Ų42.916%0.16423%0.234CC..Hα-helixtrans-61.1-44.6175.7-70.1162.6000110I24 C27 Q32 A33 Q38 V39 L40 F66I24-I36 HydrophobicContact CG1-CG2 4.36Å; C27-I36 WeakPolarHBondContact SG-CD1 3.28Å; Q32-I36 VanDerWaalsContact O-CG1 3.28Å; Q32-I36 WeakPolarHBondContact O-CG1 3.44Å; Q32-I36 PolarHBondContact O-N 3.2Å; A33-I36 PolarHBondContact O-N 3.28Å; I36-Q38 VanDerWaalsContact C-N 3.35Å; I36-Q38 PolarHBondContact O-N 2.97Å; I36-V39 PolarHBondContact O-N 2.95Å; I36-L40 HydrophobicContact CG2-CD1 4.11Å; I36-L40 HydrophobicContact CG2-CG 4.32Å; I36-L40 WeakPolarHBondContact O-CG 3.39Å; I36-L40 PolarHBondContact O-N 2.78Å; I36-F66 HydrophobicContact CG2-CE2 4.07Å
37A79.4Confident76.3Confident0 Ų037.6 Ų37.60%022%0.22CC..Hα-helixtrans-58.3-44.1176.900000112.8A33 A34 S35 L40 V41 F66 L70A33-A37 PolarHBondContact O-N 3.24Å; A34-A37 WeakPolarHBondContact O-CB 3.34Å; A34-A37 PolarHBondContact O-N 3.15Å; S35-A37 VanDerWaalsContact C-N 3.32Å; S35-A37 PolarHBondContact O-N 3.49Å; A37-L40 WeakPolarHBondContact O-CB 3.41Å; A37-L40 PolarHBondContact O-N 3.19Å; A37-V41 WeakPolarHBondContact O-CG2 3.39Å; A37-V41 PolarHBondContact O-N 2.81Å; A37-F66 HydrophobicContact CB-CD1 4.3Å; A37-F66 HydrophobicContact CB-CD2 3.79Å; A37-F66 HydrophobicContact CB-CE1 4.31Å; A37-F66 HydrophobicContact CB-CE2 3.81Å; A37-F66 HydrophobicContact CB-CG 4.03Å; A37-F66 HydrophobicContact CB-CZ 4.08Å; A37-F66 WeakPolarHBondContact CB-O 3.3Å; A37-L70 HydrophobicContact CB-CB 4.35Å; A37-L70 HydrophobicContact CB-CD2 3.84Å; A37-L70 HydrophobicContact CB-CG 3.72Å
38Q83.4Confident75.9Confident65 Ų6540.3 Ų40.330%0.30425%0.25SC..Hα-helixtrans-63.6-41175.4-70.41788.300112.2A34 S35 I36 L40 V41 Q42 G69A34-Q38 WeakPolarHBondContact O-CG 3.35Å; A34-Q38 PolarHBondContact O-N 3.03Å; A34-Q38 VanDerWaalsContact O-N 3.09Å; S35-Q38 PolarHBondContact O-N 3.16Å; I36-Q38 VanDerWaalsContact C-N 3.35Å; I36-Q38 PolarHBondContact O-N 2.97Å; Q38-L40 VanDerWaalsContact C-N 3.31Å; Q38-L40 PolarHBondContact O-N 3.34Å; Q38-V41 PolarHBondContact O-N 2.83Å; Q38-Q42 PolarHBondContact O-N 3.41Å; Q38-G69 WeakPolarHBondContact CG-O 3.33Å
39V80.4Confident75.5Confident39 Ų3939.1 Ų39.124%0.23623%0.232CC..Hα-helixtrans-63.5-38.4175.2171.10000111.1L6 S35 I36 Q42 L43L6-V39 HydrophobicContact CD1-CG2 4.24Å; S35-V39 WeakPolarHBondContact O-CG2 3.02Å; S35-V39 PolarHBondContact O-N 2.82Å; I36-V39 PolarHBondContact O-N 2.95Å; V39-Q42 WeakPolarHBondContact O-CB 3.42Å; V39-Q42 PolarHBondContact O-N 3.27Å; V39-L43 HydrophobicContact CG1-CD1 3.97Å; V39-L43 HydrophobicContact CG1-CG 4.17Å; V39-L43 WeakPolarHBondContact O-CB 3.2Å; V39-L43 VanDerWaalsContact O-CG 3.25Å; V39-L43 WeakPolarHBondContact O-CG 3.15Å; V39-L43 PolarHBondContact O-N 2.85Å
40L76.9Confident74.5Confident1 Ų140.8 Ų40.81%0.00524%0.241CC..Hα-helixtrans-63.7-41.1175.6-72.5173.9000112M14 I36 A37 Q38 L43 A44 V54 L57 F66M14-L40 HydrophobicContact CE-CD2 3.64Å; I36-L40 HydrophobicContact CG2-CD1 4.11Å; I36-L40 HydrophobicContact CG2-CG 4.32Å; I36-L40 WeakPolarHBondContact O-CG 3.39Å; I36-L40 PolarHBondContact O-N 2.78Å; A37-L40 WeakPolarHBondContact O-CB 3.41Å; A37-L40 PolarHBondContact O-N 3.19Å; Q38-L40 VanDerWaalsContact C-N 3.31Å; Q38-L40 PolarHBondContact O-N 3.34Å; L40-L43 PolarHBondContact O-N 3.26Å; L40-A44 WeakPolarHBondContact O-CB 3.39Å; L40-A44 PolarHBondContact O-N 3.01Å; L40-V54 HydrophobicContact CB-CG1 3.91Å; L40-V54 HydrophobicContact CD2-CG2 4.32Å; L40-L57 HydrophobicContact CD1-CB 4.04Å; L40-L57 HydrophobicContact CD1-CD1 3.99Å; L40-L57 HydrophobicContact CD2-CD1 3.66Å; L40-F66 HydrophobicContact CD1-CE2 4.04Å; L40-F66 HydrophobicContact CD1-CZ 3.67Å
41V78.1Confident73.5Confident0 Ų041.7 Ų41.70%024%0.239CC..Hα-helixtrans-60.4-48.1172.5174.80000110.3A37 Q38 L43 A44 I45 L70 Y77 Y96A37-V41 WeakPolarHBondContact O-CG2 3.39Å; A37-V41 PolarHBondContact O-N 2.81Å; Q38-V41 PolarHBondContact O-N 2.83Å; V41-L43 PolarHBondContact O-N 3.19Å; V41-A44 PolarHBondContact O-N 3.44Å; V41-I45 HydrophobicContact CG1-CD1 3.64Å; V41-I45 HydrophobicContact CG1-CG1 4.47Å; V41-I45 VanDerWaalsContact O-CG1 3.27Å; V41-I45 WeakPolarHBondContact O-CG1 3.49Å; V41-I45 PolarHBondContact O-N 3.27Å; V41-I45 VanDerWaalsContact O-N 3.08Å; V41-L70 HydrophobicContact CG2-CD2 4.02Å; V41-Y77 HydrophobicContact CG1-CD2 3.72Å; V41-Y77 HydrophobicContact CG1-CE2 4.08Å; V41-Y77 HydrophobicContact CG1-CG 4.49Å; V41-Y96 HydrophobicContact CB-CE1 4.27Å; V41-Y96 HydrophobicContact CG1-CE1 3.99Å; V41-Y96 HydrophobicContact CG2-CE1 4.05Å
42Q78.8Confident72.2Confident64 Ų6436.9 Ų36.930%0.29922%0.223SC..Hα-helixtrans-57.7-48.1176.7170.7167.221.200112Q38 V39 A44 I45 E46 Y77Q38-Q42 PolarHBondContact O-N 3.41Å; V39-Q42 WeakPolarHBondContact O-CB 3.42Å; V39-Q42 PolarHBondContact O-N 3.27Å; Q42-A44 VanDerWaalsContact C-N 3.27Å; Q42-A44 PolarHBondContact O-N 2.94Å; Q42-I45 PolarHBondContact O-N 3.47Å; Q42-E46 HydrophobicContact CG-CG 4.43Å; Q42-E46 WeakPolarHBondContact CG-OE2 3.49Å; Q42-E46 PolarHBondContact NE2-OE2 3.09Å; Q42-E46 WeakPolarHBondContact O-CB 3.33Å; Q42-E46 PolarHBondContact O-N 3.42Å; Q42-Y77 WeakPolarHBondContact CA-OH 2.9Å; Q42-Y77 HydrophobicContact CB-CE2 4.14Å; Q42-Y77 VanDerWaalsContact CB-OH 3.25Å; Q42-Y77 WeakPolarHBondContact CB-OH 3.41Å; Q42-Y77 WeakPolarHBondContact CG-OH 3.4Å
43L73.8Confident71Confident31 Ų3136.4 Ų36.416%0.16222%0.223CC..Hα-helixtrans-62.4-34.9179-74.4176.4000112.6V11 M14 V39 L40 V41 I45 G47V11-L43 HydrophobicContact CB-CD2 4.44Å; V11-L43 HydrophobicContact CG1-CD2 3.5Å; V11-L43 VanDerWaalsContact CG1-CD2 3.5Å; V11-L43 HydrophobicContact CG2-CD2 4.13Å; M14-L43 HydrophobicContact CE-CD1 4Å; M14-L43 HydrophobicContact SD-CD1 3.93Å; V39-L43 HydrophobicContact CG1-CD1 3.97Å; V39-L43 HydrophobicContact CG1-CG 4.17Å; V39-L43 WeakPolarHBondContact O-CB 3.2Å; V39-L43 VanDerWaalsContact O-CG 3.25Å; V39-L43 WeakPolarHBondContact O-CG 3.15Å; V39-L43 PolarHBondContact O-N 2.85Å; L40-L43 PolarHBondContact O-N 3.26Å; V41-L43 PolarHBondContact O-N 3.19Å; L43-I45 VanDerWaalsContact C-N 3.34Å; L43-G47 WeakPolarHBondContact O-CA 3.49Å; L43-G47 PolarHBondContact O-N 3.48Å
44A70.6Confident70Confident1 Ų137 Ų371%0.00823%0.227CC..Hα-helixtrans-73-29.7178.600000113.2L40 V41 Q42 V54 Y96L40-A44 WeakPolarHBondContact O-CB 3.39Å; L40-A44 PolarHBondContact O-N 3.01Å; V41-A44 PolarHBondContact O-N 3.44Å; Q42-A44 VanDerWaalsContact C-N 3.27Å; Q42-A44 PolarHBondContact O-N 2.94Å; A44-V54 HydrophobicContact CB-CB 4.34Å; A44-V54 HydrophobicContact CB-CG1 4.39Å; A44-V54 HydrophobicContact CB-CG2 4.01Å; A44-Y96 HydrophobicContact CB-CD1 4.29Å; A44-Y96 HydrophobicContact CB-CD2 3.11Å; A44-Y96 HydrophobicContact CB-CE1 4.26Å; A44-Y96 HydrophobicContact CB-CE2 3.02Å; A44-Y96 HydrophobicContact CB-CG 3.75Å
45I72.8Confident68.8Low10 Ų1036.1 Ų36.15%0.05122%0.219CC..Hα-helixtrans-89.4-46.9-178.2-63.1175.4000111V41 Q42 L43 Y77 E92 I93 Y96V41-I45 HydrophobicContact CG1-CD1 3.64Å; V41-I45 HydrophobicContact CG1-CG1 4.47Å; V41-I45 VanDerWaalsContact O-CG1 3.27Å; V41-I45 WeakPolarHBondContact O-CG1 3.49Å; V41-I45 PolarHBondContact O-N 3.27Å; V41-I45 VanDerWaalsContact O-N 3.08Å; Q42-I45 PolarHBondContact O-N 3.47Å; L43-I45 VanDerWaalsContact C-N 3.34Å; I45-Y77 HydrophobicContact CB-CD1 4.22Å; I45-Y77 HydrophobicContact CB-CE1 4.01Å; I45-Y77 HydrophobicContact CD1-CD1 3.43Å; I45-Y77 VanDerWaalsContact CD1-CD1 3.43Å; I45-Y77 HydrophobicContact CD1-CD2 3.74Å; I45-Y77 HydrophobicContact CD1-CE1 3.97Å; I45-Y77 HydrophobicContact CD1-CE2 4.23Å; I45-Y77 HydrophobicContact CD1-CG 3.32Å; I45-Y77 HydrophobicContact CG1-CD1 4.41Å; I45-Y77 HydrophobicContact CG2-CD1 3.75Å; I45-Y77 HydrophobicContact CG2-CE1 3.69Å; I45-E92 WeakPolarHBondContact O-CB 2.72Å; I45-I93 HydrophobicContact CD1-CB 4.06Å; I45-I93 HydrophobicContact CD1-CG1 3.86Å; I45-I93 HydrophobicContact CG1-CB 4.3Å; I45-I93 HydrophobicContact CG2-CB 3.97Å; I45-Y96 HydrophobicContact CD1-CD1 4.28Å; I45-Y96 HydrophobicContact CG1-CD1 4.07Å; I45-Y96 HydrophobicContact CG1-CG 4.34Å
46E74.5Confident67.5Low73 Ų7339.6 Ų39.634%0.34123%0.229SC..Hα-helixtrans-95.3-26.6-174-61.6176.9-173.300112.6Q42 Y77Q42-E46 HydrophobicContact CG-CG 4.43Å; Q42-E46 WeakPolarHBondContact CG-OE2 3.49Å; Q42-E46 PolarHBondContact NE2-OE2 3.09Å; Q42-E46 WeakPolarHBondContact O-CB 3.33Å; Q42-E46 PolarHBondContact O-N 3.42Å; E46-Y77 HydrophobicContact CG-CE1 4.3Å; E46-Y77 PolarHBondContact OE1-OH 3.31Å
47G63.9Low66.5Low31 Ų3138.1 Ų38.132%0.3222%0.221SC..SBendtrans-91.5-4.5-165.800000116.5L43 K49L43-G47 WeakPolarHBondContact O-CA 3.49Å; L43-G47 PolarHBondContact O-N 3.48Å; G47-K49 PolarHBondContact O-N 3.43Å
48G56.6Low65.5Low68 Ų6838.1 Ų38.170%0.70122%0.221SC*.  trans59.410.4176.900000116.1
49K54.7Low64.2Low76 Ų7638.1 Ų38.133%0.3322%0.222SC..  trans-86.3155.3-175.4-77.4-159.4177.3-162.20112.3V11 R12 G47 K51V11-K49 WeakPolarHBondContact O-CE 3.47Å; V11-K49 PolarHBondContact O-NZ 2.96Å; R12-K49 PolarHBondContact O-NZ 3.35Å; G47-K49 PolarHBondContact O-N 3.43Å; K49-K51 PolarHBondContact O-N 2.98Å
50P54.4Low63.1Low81 Ų8136.9 Ų36.953%0.52621%0.214SC..  trans-59.1114.1-16821.4-32.9000111S52 V53P50-S52 PolarHBondContact O-N 3.3Å; P50-V53 HydrophobicContact CG-CG2 4.22Å; P50-V53 PolarHBondContact O-N 2.98Å
51K58.2Low62Low39 Ų3942.1 Ų42.117%0.1725%0.248CC..Hα-helixtrans-46.8-26178.9-67.5166.1179.7158.40113.2K49 V53 V54 A55 E92 K95 W99K49-K51 PolarHBondContact O-N 2.98Å; K51-V53 VanDerWaalsContact C-N 3.27Å; K51-V53 PolarHBondContact O-N 2.96Å; K51-V54 PolarHBondContact O-N 3.39Å; K51-A55 WeakPolarHBondContact O-CB 3.48Å; K51-A55 PolarHBondContact O-N 2.91Å; K51-A55 VanDerWaalsContact O-N 3.1Å; K51-E92 WeakPolarHBondContact CE-OE2 3.42Å; K51-E92 IonicContact NZ-OE1 2.57Å; K51-E92 IonicContact NZ-OE2 3.27Å; K51-E92 PolarHBondContact NZ-OE2 3.35Å; K51-K95 VanDerWaalsContact NZ-CB 3.32Å; K51-W99 HydrophobicContact CB-CD2 4.25Å; K51-W99 HydrophobicContact CB-CG 4.24Å; K51-W99 HydrophobicContact CD-CE3 4.47Å
52S54.9Low61Low53 Ų5345.6 Ų45.637%0.37127%0.273SS..Hα-helixtrans-64.2-20175.362.90000115.1P50 A55 K56P50-S52 PolarHBondContact O-N 3.3Å; S52-A55 WeakPolarHBondContact O-CB 3.4Å; S52-K56 WeakPolarHBondContact O-CD 3.29Å; S52-K56 VanDerWaalsContact O-CG 3.28Å; S52-K56 WeakPolarHBondContact O-CG 3.49Å
53V53.8Low60.4Low39 Ų3945.4 Ų45.424%0.23627%0.27CS..Hα-helixtrans-78.3-52.6174.7174.60000110.1L17 P50 K51 A55 K56 L57L17-V53 HydrophobicContact CD1-CG2 4.33Å; L17-V53 HydrophobicContact CD2-CB 4.29Å; L17-V53 HydrophobicContact CD2-CG1 3.74Å; L17-V53 HydrophobicContact CG-CG1 4.17Å; L17-V53 HydrophobicContact CG-CG2 4.35Å; P50-V53 HydrophobicContact CG-CG2 4.22Å; P50-V53 PolarHBondContact O-N 2.98Å; K51-V53 VanDerWaalsContact C-N 3.27Å; K51-V53 PolarHBondContact O-N 2.96Å; V53-A55 PolarHBondContact O-N 3.05Å; V53-K56 PolarHBondContact O-N 3.02Å; V53-K56 VanDerWaalsContact O-N 3.1Å; V53-L57 HydrophobicContact CG1-CD1 4.13Å; V53-L57 WeakPolarHBondContact O-CG 3.3Å; V53-L57 PolarHBondContact O-N 2.85Å
54V58.4Low60.5Low12 Ų1248.5 Ų48.57%0.07328%0.283CS..Hα-helixtrans-63.2-47.6-177.61790000111.2L40 A44 K51 K56 L57 C58 Y96L40-V54 HydrophobicContact CB-CG1 3.91Å; L40-V54 HydrophobicContact CD2-CG2 4.32Å; A44-V54 HydrophobicContact CB-CB 4.34Å; A44-V54 HydrophobicContact CB-CG1 4.39Å; A44-V54 HydrophobicContact CB-CG2 4.01Å; K51-V54 PolarHBondContact O-N 3.39Å; V54-K56 VanDerWaalsContact C-N 3.3Å; V54-K56 PolarHBondContact O-N 3.14Å; V54-L57 WeakPolarHBondContact O-CB 3.49Å; V54-L57 PolarHBondContact O-N 3.38Å; V54-C58 PolarHBondContact O-N 3.48Å; V54-C58 VanDerWaalsContact O-N 3.07Å; V54-C58 PolarHBondContact O-SG 3.06Å; V54-Y96 HydrophobicContact CB-CE2 4Å; V54-Y96 HydrophobicContact CG1-CE2 3.58Å; V54-Y96 WeakPolarHBondContact CG1-OH 3.38Å
55A57.1Low60.9Low2 Ų252.5 Ų52.52%0.01730%0.302CS..Hα-helixtrans-28.8-57.6159.700000116.4K51 S52 V53 C58 L103K51-A55 WeakPolarHBondContact O-CB 3.48Å; K51-A55 PolarHBondContact O-N 2.91Å; K51-A55 VanDerWaalsContact O-N 3.1Å; S52-A55 WeakPolarHBondContact O-CB 3.4Å; V53-A55 PolarHBondContact O-N 3.05Å; A55-C58 PolarHBondContact O-N 3.1Å; A55-L103 HydrophobicContact CB-CD1 2.96Å; A55-L103 HydrophobicContact CB-CG 4.42Å
56K58.2Low61.2Low115 Ų11552.1 Ų52.150%0.530%0.3SS..Hα-helixtrans-74.5-31.7-175.8-74.5174179.4-173.30112L17 S52 V53 V54 C58 H59L17-K56 HydrophobicContact CD1-CD 3.59Å; L17-K56 HydrophobicContact CD2-CB 3.92Å; L17-K56 HydrophobicContact CD2-CD 4.25Å; S52-K56 WeakPolarHBondContact O-CD 3.29Å; S52-K56 VanDerWaalsContact O-CG 3.28Å; S52-K56 WeakPolarHBondContact O-CG 3.49Å; V53-K56 PolarHBondContact O-N 3.02Å; V53-K56 VanDerWaalsContact O-N 3.1Å; V54-K56 VanDerWaalsContact C-N 3.3Å; V54-K56 PolarHBondContact O-N 3.14Å; K56-C58 PolarHBondContact O-N 3.48Å; K56-H59 WeakPolarHBondContact O-CB 3.03Å; K56-H59 PolarHBondContact O-N 2.83Å; K56-H59 VanDerWaalsContact O-N 3.16Å
57L58Low61.4Low0 Ų049 Ų490%029%0.285CS..Hα-helixtrans-71.6-25.2178.1-61.3171.7000112.6L17 L20 E21 I24 L40 V53 V54 H59 C60L17-L57 HydrophobicContact CD2-CD2 4.08Å; L17-L57 HydrophobicContact CD2-CG 4.18Å; L20-L57 HydrophobicContact CB-CD1 4.31Å; L20-L57 HydrophobicContact CB-CD2 3.59Å; L20-L57 HydrophobicContact CD1-CD1 4.02Å; L20-L57 HydrophobicContact CD2-CD1 3.5Å; L20-L57 HydrophobicContact CD2-CD2 4.07Å; L20-L57 HydrophobicContact CD2-CG 4.39Å; L20-L57 HydrophobicContact CG-CD1 4.14Å; L20-L57 HydrophobicContact CG-CD2 4.3Å; E21-L57 HydrophobicContact CG-CD2 4.12Å; I24-L57 HydrophobicContact CD1-CB 4.06Å; I24-L57 HydrophobicContact CD1-CD2 4.04Å; L40-L57 HydrophobicContact CD1-CB 4.04Å; L40-L57 HydrophobicContact CD1-CD1 3.99Å; L40-L57 HydrophobicContact CD2-CD1 3.66Å; V53-L57 HydrophobicContact CG1-CD1 4.13Å; V53-L57 WeakPolarHBondContact O-CG 3.3Å; V53-L57 PolarHBondContact O-N 2.85Å; V54-L57 WeakPolarHBondContact O-CB 3.49Å; V54-L57 PolarHBondContact O-N 3.38Å; L57-H59 PolarHBondContact O-N 3.25Å; L57-C60 WeakPolarHBondContact O-CB 3.44Å; L57-C60 PolarHBondContact O-N 2.9Å
58C57.7Low62.3Low0 Ų051.3 Ų51.30%029%0.29CS..THydrogen-bonded Turntrans-69.8-11.7172.7-55.40000114.4V54 A55 K56 C60 L70 F104V54-C58 PolarHBondContact O-N 3.48Å; V54-C58 VanDerWaalsContact O-N 3.07Å; V54-C58 PolarHBondContact O-SG 3.06Å; A55-C58 PolarHBondContact O-N 3.1Å; K56-C58 PolarHBondContact O-N 3.48Å; C58-C60 VanDerWaalsContact C-N 3.27Å; C58-C60 PolarHBondContact O-N 3.22Å; C58-L70 HydrophobicContact CB-CD1 3.79Å; C58-L70 VanDerWaalsContact SG-CD1 3.52Å; C58-F104 HydrophobicContact CB-CD1 4.49Å; C58-F104 HydrophobicContact CB-CE1 3.21Å; C58-F104 HydrophobicContact CB-CE2 4.24Å; C58-F104 HydrophobicContact CB-CZ 3.05Å
59H56Low63.6Low66 Ų6648.2 Ų48.231%0.30626%0.258SS..THydrogen-bonded Turntrans-78.5-3.9172.1-90.174.4000113.8K56 L57 P61 L103 N107K56-H59 WeakPolarHBondContact O-CB 3.03Å; K56-H59 PolarHBondContact O-N 2.83Å; K56-H59 VanDerWaalsContact O-N 3.16Å; L57-H59 PolarHBondContact O-N 3.25Å; H59-P61 WeakPolarHBondContact O-CD 3.47Å; H59-P61 WeakPolarHBondContact O-CG 3.15Å; H59-L103 PolarHBondContact CE1-O 3.14Å; H59-N107 VanDerWaalsContact NE2-CB 3.3Å; H59-N107 WeakPolarHBondContact NE2-CB 3.21Å; H59-N107 PolarHBondContact NE2-ND2 3.39Å
60C57Low64.8Low13 Ų1344.8 Ų44.89%0.08824%0.243CC..  trans-60.1107.5178.2-82.40000110.9I24 L57 C58 S62I24-C60 HydrophobicContact CG2-CB 4.01Å; L57-C60 WeakPolarHBondContact O-CB 3.44Å; L57-C60 PolarHBondContact O-N 2.9Å; C58-C60 VanDerWaalsContact C-N 3.27Å; C58-C60 PolarHBondContact O-N 3.22Å; C60-S62 PolarHBondContact O-N 3.07Å
61P54.6Low66.1Low110 Ų11041.9 Ų41.971%0.71422%0.223SC*.THydrogen-bonded Turntrans-72.32.4-168.8-16.331000115H59H59-P61 WeakPolarHBondContact O-CD 3.47Å; H59-P61 WeakPolarHBondContact O-CG 3.15Å
62S57.5Low67.5Low73 Ų7341.6 Ų41.651%0.5123%0.228SC..THydrogen-bonded Turntrans-104.2-7.9-149.1-44.90000115.5C60C60-S62 PolarHBondContact O-N 3.07Å
63Y65.4Low68.9Low61 Ų6139.1 Ų39.124%0.23921%0.211CC..  trans-145113.7-177.6-64.7-77.6000112.5C27 A33 E65 F66 H67C27-Y63 PolarHBondContact O-OH 2.89Å; A33-Y63 HydrophobicContact CB-CD2 4.36Å; A33-Y63 HydrophobicContact CB-CG 4.09Å; Y63-E65 PolarHBondContact O-N 3.5Å; Y63-F66 WeakPolarHBondContact O-CB 2.98Å; Y63-F66 PolarHBondContact O-N 3.31Å; Y63-H67 PolarHBondContact O-N 2.6Å
64Q75.6Confident70.2Confident95 Ų9537.4 Ų37.444%0.44420%0.201SC..Hα-helixtrans-56.7-33.3168.6-179.860.637.100110.8F66 H67 N68Q64-F66 VanDerWaalsContact C-N 3.35Å; Q64-H67 WeakPolarHBondContact O-CB 3.35Å; Q64-H67 PolarHBondContact O-N 3.42Å; Q64-N68 PolarHBondContact NE2-OD1 3.39Å; Q64-N68 PolarHBondContact O-N 3.47Å; Q64-N68 PolarHBondContact O-ND2 3.3Å; Q64-N68 PolarHBondContact O-OD1 2.86Å
65E80.2Confident71.5Confident86 Ų8640 Ų4040%0.40221%0.214SC..Hα-helixtrans-66.9-34.5177-61.979.5-17500112.3G30 A34 Y63 N68 G69G30-E65 VanDerWaalsContact O-CB 3.3Å; G30-E65 WeakPolarHBondContact O-CB 3.25Å; A34-E65 WeakPolarHBondContact CA-O 3.38Å; A34-E65 VanDerWaalsContact CB-O 3.29Å; A34-E65 WeakPolarHBondContact CB-O 3.44Å; Y63-E65 PolarHBondContact O-N 3.5Å; E65-N68 PolarHBondContact O-N 3.01Å; E65-G69 PolarHBondContact O-N 2.76Å
66F78.9Confident73Confident1 Ų144.6 Ų44.60%0.00424%0.235CC..Hα-helixtrans-63.7-45.4172.7-174.5-90.7000110.6I24 A33 I36 A37 L40 Y63 Q64 N68 G69 L70I24-F66 HydrophobicContact CD1-CE2 3.94Å; I24-F66 HydrophobicContact CD1-CZ 4.07Å; I24-F66 HydrophobicContact CG1-CE2 4.29Å; I24-F66 HydrophobicContact CG2-CD2 4.32Å; I24-F66 HydrophobicContact CG2-CE2 4.39Å; A33-F66 HydrophobicContact CB-CB 4.08Å; A33-F66 HydrophobicContact CB-CD2 4.38Å; A33-F66 WeakPolarHBondContact O-CD2 3.33Å; I36-F66 HydrophobicContact CG2-CE2 4.07Å; A37-F66 HydrophobicContact CB-CD1 4.3Å; A37-F66 HydrophobicContact CB-CD2 3.79Å; A37-F66 HydrophobicContact CB-CE1 4.31Å; A37-F66 HydrophobicContact CB-CE2 3.81Å; A37-F66 HydrophobicContact CB-CG 4.03Å; A37-F66 HydrophobicContact CB-CZ 4.08Å; A37-F66 WeakPolarHBondContact CB-O 3.3Å; L40-F66 HydrophobicContact CD1-CE2 4.04Å; L40-F66 HydrophobicContact CD1-CZ 3.67Å; Y63-F66 WeakPolarHBondContact O-CB 2.98Å; Y63-F66 PolarHBondContact O-N 3.31Å; Q64-F66 VanDerWaalsContact C-N 3.35Å; F66-N68 PolarHBondContact O-N 3.44Å; F66-G69 CarbonylContact O-C 3.6Å; F66-G69 WeakPolarHBondContact O-CA 3.25Å; F66-G69 PolarHBondContact O-N 3.49Å; F66-G69 VanDerWaalsContact O-N 3.14Å; F66-L70 HydrophobicContact CD1-CD1 3.95Å; F66-L70 HydrophobicContact CD1-CG 4.12Å; F66-L70 HydrophobicContact CE1-CD1 3.61Å; F66-L70 HydrophobicContact CE1-CD2 4.23Å; F66-L70 HydrophobicContact CE1-CG 3.84Å; F66-L70 HydrophobicContact CZ-CD2 4.49Å; F66-L70 HydrophobicContact CZ-CG 4.5Å; F66-L70 PolarHBondContact O-N 3.36Å
67H77.9Confident74.1Confident8 Ų839.9 Ų39.94%0.03721%0.214CC..Hα-helixtrans-62.3-42.4174.8-59.4150.6000112.5Y63 Q64 G69 L70 L71 Y108 L112Y63-H67 PolarHBondContact O-N 2.6Å; Q64-H67 WeakPolarHBondContact O-CB 3.35Å; Q64-H67 PolarHBondContact O-N 3.42Å; H67-G69 VanDerWaalsContact C-N 3.26Å; H67-G69 PolarHBondContact O-N 2.66Å; H67-L70 PolarHBondContact O-N 3.36Å; H67-L71 WeakPolarHBondContact O-CB 3.18Å; H67-L71 WeakPolarHBondContact O-CG 3.27Å; H67-L71 PolarHBondContact O-N 3.24Å; H67-Y108 AromaticContact CE1-CZ 3.73Å; H67-Y108 PolarHBondContact CE1-OH 3.08Å; H67-Y108 AromaticContact NE2-CZ 3.81Å; H67-Y108 PolarHBondContact NE2-OH 3.21Å; H67-L112 HydrophobicContact CB-CD1 4.11Å; H67-L112 HydrophobicContact CB-CD2 3.98Å; H67-L112 HydrophobicContact CB-CG 4.47Å
68N83Confident75.3Confident80 Ų8041.1 Ų41.143%0.42822%0.22SC..Hα-helixtrans-61.1-39174.5-66.9-14.1000110.7Q64 E65 F66 A72Q64-N68 PolarHBondContact NE2-OD1 3.39Å; Q64-N68 PolarHBondContact O-N 3.47Å; Q64-N68 PolarHBondContact O-ND2 3.3Å; Q64-N68 PolarHBondContact O-OD1 2.86Å; E65-N68 PolarHBondContact O-N 3.01Å; F66-N68 PolarHBondContact O-N 3.44Å; N68-A72 WeakPolarHBondContact O-CB 3.19Å; N68-A72 PolarHBondContact O-N 2.88Å
69G84Confident76.8Confident2 Ų246.6 Ų46.62%0.02125%0.249CC..Hα-helixtrans-64.1-43.1173.600000113.2A34 Q38 E65 F66 H67 A72 G73A34-G69 WeakPolarHBondContact O-CA 3.46Å; Q38-G69 WeakPolarHBondContact CG-O 3.33Å; E65-G69 PolarHBondContact O-N 2.76Å; F66-G69 CarbonylContact O-C 3.6Å; F66-G69 WeakPolarHBondContact O-CA 3.25Å; F66-G69 PolarHBondContact O-N 3.49Å; F66-G69 VanDerWaalsContact O-N 3.14Å; H67-G69 VanDerWaalsContact C-N 3.26Å; H67-G69 PolarHBondContact O-N 2.66Å; G69-A72 PolarHBondContact O-N 2.77Å; G69-G73 PolarHBondContact O-N 3.35Å
70L80.2Confident78.2Confident5 Ų549 Ų493%0.02626%0.256CS..Hα-helixtrans-61.4-48.4175.7-76.3178.3000110.4A37 V41 C58 F66 H67 G73 C74 F104A37-L70 HydrophobicContact CB-CB 4.35Å; A37-L70 HydrophobicContact CB-CD2 3.84Å; A37-L70 HydrophobicContact CB-CG 3.72Å; V41-L70 HydrophobicContact CG2-CD2 4.02Å; C58-L70 HydrophobicContact CB-CD1 3.79Å; C58-L70 VanDerWaalsContact SG-CD1 3.52Å; F66-L70 HydrophobicContact CD1-CD1 3.95Å; F66-L70 HydrophobicContact CD1-CG 4.12Å; F66-L70 HydrophobicContact CE1-CD1 3.61Å; F66-L70 HydrophobicContact CE1-CD2 4.23Å; F66-L70 HydrophobicContact CE1-CG 3.84Å; F66-L70 HydrophobicContact CZ-CD2 4.49Å; F66-L70 HydrophobicContact CZ-CG 4.5Å; F66-L70 PolarHBondContact O-N 3.36Å; H67-L70 PolarHBondContact O-N 3.36Å; L70-G73 PolarHBondContact O-N 3.07Å; L70-C74 PolarHBondContact O-N 3.29Å; L70-C74 PolarHBondContact O-SG 2.92Å; L70-C74 VanDerWaalsContact O-SG 3.36Å; L70-F104 HydrophobicContact CD1-CZ 4.36Å
71L82.5Confident79.5Confident20 Ų2051.6 Ų51.611%0.10526%0.263CS..Hα-helixtrans-62-45177.6-74.6175.3000111.8H67 G73 C74 N75 L112 L116 I119H67-L71 WeakPolarHBondContact O-CB 3.18Å; H67-L71 WeakPolarHBondContact O-CG 3.27Å; H67-L71 PolarHBondContact O-N 3.24Å; L71-G73 VanDerWaalsContact C-N 3.32Å; L71-G73 PolarHBondContact O-N 3.47Å; L71-C74 PolarHBondContact O-N 3.36Å; L71-N75 WeakPolarHBondContact O-CB 2.97Å; L71-N75 PolarHBondContact O-N 2.8Å; L71-N75 PolarHBondContact O-ND2 3.42Å; L71-L112 HydrophobicContact CD1-CD1 3.62Å; L71-L112 HydrophobicContact CD2-CD1 3.71Å; L71-L112 HydrophobicContact CG-CD1 3.44Å; L71-L112 VanDerWaalsContact CG-CD1 3.44Å; L71-L116 HydrophobicContact CD2-CD2 3.76Å; L71-L116 HydrophobicContact CD2-CG 3.92Å; L71-I119 HydrophobicContact CD2-CD1 4.12Å
72A87Confident80.9Confident33 Ų3350.6 Ų50.627%0.27325%0.249SC..Hα-helixtrans-60.1-44176.400000111.1N68 G69 N75 Q76N68-A72 WeakPolarHBondContact O-CB 3.19Å; N68-A72 PolarHBondContact O-N 2.88Å; G69-A72 PolarHBondContact O-N 2.77Å; A72-N75 PolarHBondContact O-N 2.92Å; A72-Q76 WeakPolarHBondContact O-CB 3.15Å; A72-Q76 VanDerWaalsContact O-CG 3.23Å; A72-Q76 WeakPolarHBondContact O-CG 3.02Å; A72-Q76 PolarHBondContact O-N 3.39Å
73G84.1Confident82.2Confident0 Ų052.1 Ų52.10%025%0.247CC..Hα-helixtrans-59.5-52.9174.300000111.7G69 L70 L71 N75 Q76 Y77G69-G73 PolarHBondContact O-N 3.35Å; L70-G73 PolarHBondContact O-N 3.07Å; L71-G73 VanDerWaalsContact C-N 3.32Å; L71-G73 PolarHBondContact O-N 3.47Å; G73-N75 VanDerWaalsContact C-N 3.31Å; G73-N75 PolarHBondContact O-N 3.48Å; G73-Q76 PolarHBondContact O-N 3.42Å; G73-Y77 WeakPolarHBondContact O-CD2 3.48Å; G73-Y77 PolarHBondContact O-N 3.35Å
74C81.2Confident82.9Confident4 Ų449.5 Ų49.53%0.02724%0.236CC..Hα-helixtrans-57.6-42.5178.9-70.90000112.4L70 L71 F78 I119L70-C74 PolarHBondContact O-N 3.29Å; L70-C74 PolarHBondContact O-SG 2.92Å; L70-C74 VanDerWaalsContact O-SG 3.36Å; L71-C74 PolarHBondContact O-N 3.36Å; C74-F78 WeakPolarHBondContact O-CB 3.21Å; C74-F78 PolarHBondContact O-N 3.28Å; C74-I119 HydrophobicContact CB-CD1 3.75Å
75N86.5Confident83.2Confident66 Ų6645.8 Ų45.835%0.35322%0.218SC..Hα-helixtrans-66.2-45.8176.9-75.7-43.5000112.1L71 A72 G73 Y77 F78 D79 I119L71-N75 WeakPolarHBondContact O-CB 2.97Å; L71-N75 PolarHBondContact O-N 2.8Å; L71-N75 PolarHBondContact O-ND2 3.42Å; A72-N75 PolarHBondContact O-N 2.92Å; G73-N75 VanDerWaalsContact C-N 3.31Å; G73-N75 PolarHBondContact O-N 3.48Å; N75-Y77 VanDerWaalsContact C-N 3.27Å; N75-Y77 PolarHBondContact O-N 3.09Å; N75-F78 CarbonylContact O-C 3.59Å; N75-F78 PolarHBondContact O-N 2.96Å; N75-D79 VanDerWaalsContact O-CG 3.26Å; N75-D79 PolarHBondContact O-N 3.08Å; N75-I119 WeakPolarHBondContact OD1-CD1 3.41Å; N75-I119 WeakPolarHBondContact OD1-CG1 3.16Å
76Q87.2Confident83.2Confident98 Ų9848.4 Ų48.446%0.45823%0.231SC..Hα-helixtrans-57.1-42177.1-76.2173.220.700112.1A72 G73 R80A72-Q76 WeakPolarHBondContact O-CB 3.15Å; A72-Q76 VanDerWaalsContact O-CG 3.23Å; A72-Q76 WeakPolarHBondContact O-CG 3.02Å; A72-Q76 PolarHBondContact O-N 3.39Å; G73-Q76 PolarHBondContact O-N 3.42Å; Q76-R80 WeakPolarHBondContact O-CG 3.42Å; Q76-R80 PolarHBondContact O-N 2.97Å
77Y82.4Confident83.1Confident17 Ų1753.2 Ų53.27%0.06725%0.253CS..Hα-helixtrans-69.4-41175.7-87.4-85.8000111.3V41 Q42 I45 E46 G73 N75 D79 R80 R81 L84 I93V41-Y77 HydrophobicContact CG1-CD2 3.72Å; V41-Y77 HydrophobicContact CG1-CE2 4.08Å; V41-Y77 HydrophobicContact CG1-CG 4.49Å; Q42-Y77 WeakPolarHBondContact CA-OH 2.9Å; Q42-Y77 HydrophobicContact CB-CE2 4.14Å; Q42-Y77 VanDerWaalsContact CB-OH 3.25Å; Q42-Y77 WeakPolarHBondContact CB-OH 3.41Å; Q42-Y77 WeakPolarHBondContact CG-OH 3.4Å; I45-Y77 HydrophobicContact CB-CD1 4.22Å; I45-Y77 HydrophobicContact CB-CE1 4.01Å; I45-Y77 HydrophobicContact CD1-CD1 3.43Å; I45-Y77 VanDerWaalsContact CD1-CD1 3.43Å; I45-Y77 HydrophobicContact CD1-CD2 3.74Å; I45-Y77 HydrophobicContact CD1-CE1 3.97Å; I45-Y77 HydrophobicContact CD1-CE2 4.23Å; I45-Y77 HydrophobicContact CD1-CG 3.32Å; I45-Y77 HydrophobicContact CG1-CD1 4.41Å; I45-Y77 HydrophobicContact CG2-CD1 3.75Å; I45-Y77 HydrophobicContact CG2-CE1 3.69Å; E46-Y77 HydrophobicContact CG-CE1 4.3Å; E46-Y77 PolarHBondContact OE1-OH 3.31Å; G73-Y77 WeakPolarHBondContact O-CD2 3.48Å; G73-Y77 PolarHBondContact O-N 3.35Å; N75-Y77 VanDerWaalsContact C-N 3.27Å; N75-Y77 PolarHBondContact O-N 3.09Å; Y77-D79 VanDerWaalsContact C-N 3.34Å; Y77-D79 PolarHBondContact O-N 3.15Å; Y77-R80 CarbonylContact O-C 3.6Å; Y77-R80 PolarHBondContact O-N 3.44Å; Y77-R81 PolarHBondContact O-N 2.9Å; Y77-R81 VanDerWaalsContact O-N 3.16Å; Y77-L84 HydrophobicContact CD1-CD1 3.65Å; Y77-L84 HydrophobicContact CD1-CD2 4.48Å; Y77-L84 HydrophobicContact CE1-CD1 4.49Å; Y77-L84 HydrophobicContact CG-CD1 4.48Å; Y77-L84 VanDerWaalsContact O-CD1 3.28Å; Y77-L84 WeakPolarHBondContact O-CD1 3.28Å; Y77-I93 VanDerWaalsContact O-CD1 3.23Å; Y77-I93 WeakPolarHBondContact O-CD1 3.38Å
78F83.7Confident82.6Confident25 Ų2556.9 Ų56.911%0.1127%0.267CS..Hα-helixtrans-63.3-38176-176.7-106.4000112.5C74 N75 R80 R81 F94 A122 V123C74-F78 WeakPolarHBondContact O-CB 3.21Å; C74-F78 PolarHBondContact O-N 3.28Å; N75-F78 CarbonylContact O-C 3.59Å; N75-F78 PolarHBondContact O-N 2.96Å; F78-R80 PolarHBondContact O-N 3.46Å; F78-R81 WeakPolarHBondContact O-CB 3.49Å; F78-R81 WeakPolarHBondContact O-CD 3.09Å; F78-R81 WeakPolarHBondContact O-CG 3.48Å; F78-R81 PolarHBondContact O-N 3.15Å; F78-R81 VanDerWaalsContact O-N 3.15Å; F78-R81 PolarHBondContact O-NH1 3.13Å; F78-F94 HydrophobicContact CD2-CE1 4.2Å; F78-F94 HydrophobicContact CE2-CE1 4.36Å; F78-A122 HydrophobicContact CE1-CB 3.96Å; F78-A122 HydrophobicContact CE2-CB 4.35Å; F78-A122 HydrophobicContact CZ-CB 3.64Å; F78-V123 HydrophobicContact CD2-CG2 3.58Å; F78-V123 HydrophobicContact CE2-CB 4.31Å; F78-V123 HydrophobicContact CE2-CG2 3.6Å
79D87.4Confident81.4Confident116 Ų11656.7 Ų56.762%0.6227%0.272SS*.Hα-helixtrans-64.6-31.3176.4-69.6-23.5000111.7N75 Y77N75-D79 VanDerWaalsContact O-CG 3.26Å; N75-D79 PolarHBondContact O-N 3.08Å; Y77-D79 VanDerWaalsContact C-N 3.34Å; Y77-D79 PolarHBondContact O-N 3.15Å
80R85.8Confident80Confident117 Ų11761.6 Ų61.644%0.44229%0.294SS..THydrogen-bonded Turntrans-90.25.3176.9-66.1177.861.1-170.4-5114.1Q76 Y77 F78 E82 K83 L84Q76-R80 WeakPolarHBondContact O-CG 3.42Å; Q76-R80 PolarHBondContact O-N 2.97Å; Y77-R80 CarbonylContact O-C 3.6Å; Y77-R80 PolarHBondContact O-N 3.44Å; F78-R80 PolarHBondContact O-N 3.46Å; R80-E82 VanDerWaalsContact C-N 3.26Å; R80-E82 PolarHBondContact O-N 2.89Å; R80-E82 VanDerWaalsContact O-N 3.09Å; R80-K83 PolarHBondContact O-N 3.41Å; R80-K83 VanDerWaalsContact O-N 3.09Å; R80-L84 HydrophobicContact CB-CD1 4.13Å; R80-L84 HydrophobicContact CB-CG 4.2Å; R80-L84 WeakPolarHBondContact O-CG 3.43Å; R80-L84 PolarHBondContact O-N 2.99Å
81R85.2Confident79Confident67 Ų6761.8 Ų61.825%0.25330%0.295SS..Hα-helixtrans-49.3-39.6-171.264.6-167175.5-80.3-1.9115.2Y77 F78 L84 R85 F94 Y126Y77-R81 PolarHBondContact O-N 2.9Å; Y77-R81 VanDerWaalsContact O-N 3.16Å; F78-R81 WeakPolarHBondContact O-CB 3.49Å; F78-R81 WeakPolarHBondContact O-CD 3.09Å; F78-R81 WeakPolarHBondContact O-CG 3.48Å; F78-R81 PolarHBondContact O-N 3.15Å; F78-R81 VanDerWaalsContact O-N 3.15Å; F78-R81 PolarHBondContact O-NH1 3.13Å; R81-L84 PolarHBondContact O-N 3.25Å; R81-R85 PolarHBondContact O-N 3.13Å; R81-F94 HydrophobicContact CB-CE1 4.35Å; R81-F94 HydrophobicContact CB-CZ 3.82Å; R81-Y126 HydrophobicContact CB-CE1 4.35Å; R81-Y126 HydrophobicContact CG-CD1 4.42Å; R81-Y126 HydrophobicContact CG-CE1 3.95Å; R81-Y126 HydrophobicContact CG-CE2 4.08Å
82E84.4Confident78Confident88 Ų8862.7 Ų62.741%0.41130%0.299SS..Hα-helixtrans-65.4-49.2-178.4-174.456.6-139.100111R80 L84 R85 Q86 Y126R80-E82 VanDerWaalsContact C-N 3.26Å; R80-E82 PolarHBondContact O-N 2.89Å; R80-E82 VanDerWaalsContact O-N 3.09Å; E82-L84 VanDerWaalsContact C-N 3.3Å; E82-L84 PolarHBondContact O-N 3.32Å; E82-R85 WeakPolarHBondContact O-CB 3.34Å; E82-R85 PolarHBondContact O-N 3.06Å; E82-Q86 WeakPolarHBondContact O-CG 2.92Å; E82-Q86 PolarHBondContact O-N 2.89Å; E82-Q86 PolarHBondContact OE1-NE2 3.46Å; E82-Y126 PolarHBondContact OE2-OH 3.36Å
83K84.6Confident77Confident106 Ų10661.3 Ų61.346%0.46129%0.287SS..Hα-helixtrans-61.4-40.9175-177.9171.3176.3172.80111.2R80 Q86 E87R80-K83 PolarHBondContact O-N 3.41Å; R80-K83 VanDerWaalsContact O-N 3.09Å; K83-Q86 PolarHBondContact O-N 3.34Å; K83-E87 VanDerWaalsContact CE-CD 3.44Å; K83-E87 WeakPolarHBondContact CE-OE1 3.39Å; K83-E87 HydrophobicContact CG-CG 4.22Å; K83-E87 IonicContact NZ-OE1 3.41Å; K83-E87 WeakPolarHBondContact O-CB 3.33Å; K83-E87 WeakPolarHBondContact O-CG 3.47Å; K83-E87 PolarHBondContact O-N 3.29Å
84L79.5Confident76Confident5 Ų561.5 Ų61.53%0.02629%0.288CS..Hα-helixtrans-65.6-37.9178-64.6171.3000112.6Y77 R80 R81 E82 Q86 E87 Y88 I93Y77-L84 HydrophobicContact CD1-CD1 3.65Å; Y77-L84 HydrophobicContact CD1-CD2 4.48Å; Y77-L84 HydrophobicContact CE1-CD1 4.49Å; Y77-L84 HydrophobicContact CG-CD1 4.48Å; Y77-L84 VanDerWaalsContact O-CD1 3.28Å; Y77-L84 WeakPolarHBondContact O-CD1 3.28Å; R80-L84 HydrophobicContact CB-CD1 4.13Å; R80-L84 HydrophobicContact CB-CG 4.2Å; R80-L84 WeakPolarHBondContact O-CG 3.43Å; R80-L84 PolarHBondContact O-N 2.99Å; R81-L84 PolarHBondContact O-N 3.25Å; E82-L84 VanDerWaalsContact C-N 3.3Å; E82-L84 PolarHBondContact O-N 3.32Å; L84-Q86 PolarHBondContact O-N 2.77Å; L84-E87 PolarHBondContact O-N 3.04Å; L84-Y88 HydrophobicContact CB-CD2 4.27Å; L84-Y88 HydrophobicContact CD2-CD2 3.8Å; L84-Y88 HydrophobicContact CD2-CE2 3.46Å; L84-Y88 VanDerWaalsContact CD2-CE2 3.46Å; L84-Y88 WeakPolarHBondContact O-CB 3.35Å; L84-Y88 WeakPolarHBondContact O-CD2 3.43Å; L84-Y88 PolarHBondContact O-N 3.24Å; L84-I93 HydrophobicContact CD1-CD1 3.82Å
85R82.3Confident75.2Confident17 Ų1764 Ų646%0.06430%0.298CS..Hα-helixtrans-61.4-32.9174.9-108.9-177.1132.8-136.720.4113R81 E82 L91 V132 T135 K137 E140R81-R85 PolarHBondContact O-N 3.13Å; E82-R85 WeakPolarHBondContact O-CB 3.34Å; E82-R85 PolarHBondContact O-N 3.06Å; R85-L91 HydrophobicContact CG-CD2 3.37Å; R85-V132 PolarHBondContact NH2-O 2.95Å; R85-T135 PolarHBondContact NH1-OG1 2.87Å; R85-K137 PolarHBondContact O-NZ 3.11Å; R85-E140 IonicContact CZ-OE1 2.97Å; R85-E140 IonicContact CZ-OE2 3.27Å; R85-E140 VanDerWaalsContact CZ-OE2 3.27Å; R85-E140 IonicContact NE-OE1 2.66Å; R85-E140 PolarHBondContact NE-OE1 3.29Å; R85-E140 IonicContact NE-OE2 3.52Å; R85-E140 PolarHBondContact NE-OE2 3.28Å; R85-E140 IonicContact NH2-OE1 2.74Å; R85-E140 IonicContact NH2-OE2 3.39Å; R85-E140 PolarHBondContact NH2-OE2 3.04Å
86Q80.5Confident74.1Confident142 Ų14261 Ų6166%0.66428%0.282SS*.Hα-helixtrans-81.4-43.5179.5-65.2172.89.800111.5E82 K83 L84E82-Q86 WeakPolarHBondContact O-CG 2.92Å; E82-Q86 PolarHBondContact O-N 2.89Å; E82-Q86 PolarHBondContact OE1-NE2 3.46Å; K83-Q86 PolarHBondContact O-N 3.34Å; L84-Q86 PolarHBondContact O-N 2.77Å
87E76.6Confident73Confident102 Ų10256.6 Ų56.648%0.47726%0.262SS..Hα-helixtrans-75.9-36.1-177.7-72.1179.5161.500113.1K83 L84K83-E87 VanDerWaalsContact CE-CD 3.44Å; K83-E87 WeakPolarHBondContact CE-OE1 3.39Å; K83-E87 HydrophobicContact CG-CG 4.22Å; K83-E87 IonicContact NZ-OE1 3.41Å; K83-E87 WeakPolarHBondContact O-CB 3.33Å; K83-E87 WeakPolarHBondContact O-CG 3.47Å; K83-E87 PolarHBondContact O-N 3.29Å; L84-E87 PolarHBondContact O-N 3.04Å
88Y67.5Low71.9Confident85 Ų8555.9 Ų55.933%0.33326%0.259SS..  trans-108.8120.9-177.5-59.3-85.3000109.7L84 H90L84-Y88 HydrophobicContact CB-CD2 4.27Å; L84-Y88 HydrophobicContact CD2-CD2 3.8Å; L84-Y88 HydrophobicContact CD2-CE2 3.46Å; L84-Y88 VanDerWaalsContact CD2-CE2 3.46Å; L84-Y88 WeakPolarHBondContact O-CB 3.35Å; L84-Y88 WeakPolarHBondContact O-CD2 3.43Å; L84-Y88 PolarHBondContact O-N 3.24Å; Y88-H90 PolarHBondContact O-N 2.9Å; Y88-H90 VanDerWaalsContact O-N 3.15Å
89S56.7Low70.9Confident75 Ų7560.3 Ų60.352%0.52428%0.275SS..SBendtrans-58.7-23169.246.70000112
90H54.9Low69.6Low105 Ų10555 Ų5549%0.48625%0.247SC..SBendtrans-121.3116.7-174.9-48.1-59.5000110.1Y88 E92Y88-H90 PolarHBondContact O-N 2.9Å; Y88-H90 VanDerWaalsContact O-N 3.15Å; H90-E92 HydrophobicContact CB-CG 4.3Å; H90-E92 PolarHBondContact O-N 3.44Å
91L58.9Low68.3Low9 Ų949.5 Ų49.55%0.04723%0.226CC..  trans-68.359174.7-67.2173.6000113.2R85 I93 F94 K95 L127 E140R85-L91 HydrophobicContact CG-CD2 3.37Å; L91-I93 PolarHBondContact O-N 2.89Å; L91-I93 VanDerWaalsContact O-N 3.13Å; L91-F94 HydrophobicContact CB-CB 4.3Å; L91-F94 HydrophobicContact CB-CD2 3.99Å; L91-F94 HydrophobicContact CD1-CB 4.37Å; L91-F94 HydrophobicContact CD1-CD2 3.52Å; L91-F94 HydrophobicContact CD1-CE2 4.3Å; L91-F94 HydrophobicContact CD1-CG 4.42Å; L91-F94 HydrophobicContact CD2-CD2 3.33Å; L91-F94 HydrophobicContact CD2-CE2 3.52Å; L91-F94 HydrophobicContact CD2-CG 4.5Å; L91-F94 HydrophobicContact CG-CD2 3.82Å; L91-F94 HydrophobicContact CG-CE2 4.43Å; L91-F94 PolarHBondContact O-N 2.8Å; L91-F94 VanDerWaalsContact O-N 3.11Å; L91-K95 PolarHBondContact O-N 3.32Å; L91-K95 VanDerWaalsContact O-N 3.08Å; L91-L127 HydrophobicContact CD1-CD2 4.47Å; L91-E140 HydrophobicContact CD1-CB 3.2Å; L91-E140 HydrophobicContact CD1-CG 3.07Å; L91-E140 WeakPolarHBondContact CD1-OE1 3.34Å; L91-E140 WeakPolarHBondContact CD2-OE1 3.13Å; L91-E140 HydrophobicContact CG-CB 4.49Å; L91-E140 HydrophobicContact CG-CG 3.93Å; L91-E140 VanDerWaalsContact CG-OE1 3.26Å; L91-E140 WeakPolarHBondContact CG-OE1 3.29Å
92E62.6Low67Low40 Ų4047.8 Ų47.819%0.18722%0.224CC..Hα-helixtrans-59.6-27.5177.5-68-53.9126.500111I45 K51 H90 K95 Y96I45-E92 WeakPolarHBondContact O-CB 2.72Å; K51-E92 WeakPolarHBondContact CE-OE2 3.42Å; K51-E92 IonicContact NZ-OE1 2.57Å; K51-E92 IonicContact NZ-OE2 3.27Å; K51-E92 PolarHBondContact NZ-OE2 3.35Å; H90-E92 HydrophobicContact CB-CG 4.3Å; H90-E92 PolarHBondContact O-N 3.44Å; E92-K95 IonicContact OE1-NZ 2.75Å; E92-Y96 WeakPolarHBondContact O-CA 3.23Å; E92-Y96 WeakPolarHBondContact O-CB 3.43Å; E92-Y96 PolarHBondContact O-N 2.89Å
93I64.2Low65.7Low4 Ų446.3 Ų46.32%0.02122%0.219CC..Hα-helixtrans-56.3-54.4169.7-174.3-178.3000113.5I45 Y77 L84 L91 Y96 I97I45-I93 HydrophobicContact CD1-CB 4.06Å; I45-I93 HydrophobicContact CD1-CG1 3.86Å; I45-I93 HydrophobicContact CG1-CB 4.3Å; I45-I93 HydrophobicContact CG2-CB 3.97Å; Y77-I93 VanDerWaalsContact O-CD1 3.23Å; Y77-I93 WeakPolarHBondContact O-CD1 3.38Å; L84-I93 HydrophobicContact CD1-CD1 3.82Å; L91-I93 PolarHBondContact O-N 2.89Å; L91-I93 VanDerWaalsContact O-N 3.13Å; I93-Y96 PolarHBondContact O-N 3.11Å; I93-I97 HydrophobicContact CD1-CD1 4.23Å; I93-I97 HydrophobicContact CG1-CD1 3.68Å; I93-I97 HydrophobicContact CG1-CG1 4.4Å; I93-I97 WeakPolarHBondContact O-CB 3.39Å; I93-I97 VanDerWaalsContact O-CG1 3.27Å; I93-I97 WeakPolarHBondContact O-CG1 3.28Å; I93-I97 PolarHBondContact O-N 2.98Å
94F63Low64.5Low3 Ų341.4 Ų41.41%0.01320%0.197CC..Hα-helixtrans-75-32.5-174.4-62-45.6000111F78 R81 L91 G98 V123 Y126 L127F78-F94 HydrophobicContact CD2-CE1 4.2Å; F78-F94 HydrophobicContact CE2-CE1 4.36Å; R81-F94 HydrophobicContact CB-CE1 4.35Å; R81-F94 HydrophobicContact CB-CZ 3.82Å; L91-F94 HydrophobicContact CB-CB 4.3Å; L91-F94 HydrophobicContact CB-CD2 3.99Å; L91-F94 HydrophobicContact CD1-CB 4.37Å; L91-F94 HydrophobicContact CD1-CD2 3.52Å; L91-F94 HydrophobicContact CD1-CE2 4.3Å; L91-F94 HydrophobicContact CD1-CG 4.42Å; L91-F94 HydrophobicContact CD2-CD2 3.33Å; L91-F94 HydrophobicContact CD2-CE2 3.52Å; L91-F94 HydrophobicContact CD2-CG 4.5Å; L91-F94 HydrophobicContact CG-CD2 3.82Å; L91-F94 HydrophobicContact CG-CE2 4.43Å; L91-F94 PolarHBondContact O-N 2.8Å; L91-F94 VanDerWaalsContact O-N 3.11Å; F94-G98 PolarHBondContact O-N 2.83Å; F94-V123 HydrophobicContact CB-CG1 4.03Å; F94-V123 HydrophobicContact CD1-CB 3.94Å; F94-V123 HydrophobicContact CD1-CG1 3.12Å; F94-V123 HydrophobicContact CD1-CG2 3.56Å; F94-V123 HydrophobicContact CE1-CB 4.1Å; F94-V123 HydrophobicContact CE1-CG1 3.62Å; F94-V123 HydrophobicContact CE1-CG2 3.63Å; F94-V123 HydrophobicContact CG-CG1 3.7Å; F94-Y126 HydrophobicContact CE2-CD1 4.32Å; F94-Y126 HydrophobicContact CE2-CE1 4.07Å; F94-Y126 AromaticContact CZ-CD1 3.7Å; F94-Y126 HydrophobicContact CZ-CD1 3.7Å; F94-Y126 AromaticContact CZ-CE1 3.68Å; F94-Y126 HydrophobicContact CZ-CE1 3.68Å; F94-L127 HydrophobicContact CB-CD1 4.4Å; F94-L127 HydrophobicContact CD2-CD1 3.95Å; F94-L127 HydrophobicContact CD2-CD2 3.93Å; F94-L127 HydrophobicContact CD2-CG 4.25Å; F94-L127 HydrophobicContact CE2-CD1 4.38Å; F94-L127 HydrophobicContact CE2-CD2 3.67Å; F94-L127 HydrophobicContact CE2-CG 4.18Å; F94-L127 HydrophobicContact CG-CD1 4.16Å; F94-L127 HydrophobicContact CZ-CD2 4.38Å
95K64.6Low63.5Low58 Ų5842 Ų4225%0.25220%0.2SC..Hα-helixtrans-63.4-43.2168.8-66.8178.2-177.5175.50111.7K51 L91 E92 W99 C143K51-K95 VanDerWaalsContact NZ-CB 3.32Å; L91-K95 PolarHBondContact O-N 3.32Å; L91-K95 VanDerWaalsContact O-N 3.08Å; E92-K95 IonicContact OE1-NZ 2.75Å; K95-W99 WeakPolarHBondContact O-CB 3.4Å; K95-W99 PolarHBondContact O-N 3.37Å; K95-C143 WeakPolarHBondContact CA-SG 3.42Å; K95-C143 HydrophobicContact CG-CB 4.03Å; K95-C143 VanDerWaalsContact CG-SG 3.52Å; K95-C143 PolarHBondContact N-SG 3.08Å
96Y63.4Low62.3Low1 Ų145.9 Ų45.90%0.00423%0.226CC..Hα-helixtrans-66.8-47.9179.5173.6-106.2000111.6V41 A44 I45 V54 E92 I93 W99 N100V41-Y96 HydrophobicContact CB-CE1 4.27Å; V41-Y96 HydrophobicContact CG1-CE1 3.99Å; V41-Y96 HydrophobicContact CG2-CE1 4.05Å; A44-Y96 HydrophobicContact CB-CD1 4.29Å; A44-Y96 HydrophobicContact CB-CD2 3.11Å; A44-Y96 HydrophobicContact CB-CE1 4.26Å; A44-Y96 HydrophobicContact CB-CE2 3.02Å; A44-Y96 HydrophobicContact CB-CG 3.75Å; I45-Y96 HydrophobicContact CD1-CD1 4.28Å; I45-Y96 HydrophobicContact CG1-CD1 4.07Å; I45-Y96 HydrophobicContact CG1-CG 4.34Å; V54-Y96 HydrophobicContact CB-CE2 4Å; V54-Y96 HydrophobicContact CG1-CE2 3.58Å; V54-Y96 WeakPolarHBondContact CG1-OH 3.38Å; E92-Y96 WeakPolarHBondContact O-CA 3.23Å; E92-Y96 WeakPolarHBondContact O-CB 3.43Å; E92-Y96 PolarHBondContact O-N 2.89Å; I93-Y96 PolarHBondContact O-N 3.11Å; Y96-W99 PolarHBondContact O-N 2.87Å; Y96-N100 WeakPolarHBondContact CD2-ND2 3.39Å; Y96-N100 WeakPolarHBondContact CE1-ND2 3.34Å; Y96-N100 WeakPolarHBondContact CE2-ND2 3.44Å; Y96-N100 WeakPolarHBondContact O-CB 3.23Å; Y96-N100 PolarHBondContact O-N 3.28Å; Y96-N100 PolarHBondContact O-ND2 3.48Å
97I63.9Low61Low7 Ų744.4 Ų44.44%0.03622%0.223CC..Hα-helixtrans-62.1-45.5179.1-70.3171.9000110.6I93 N100 L101 I119 V120 V123I93-I97 HydrophobicContact CD1-CD1 4.23Å; I93-I97 HydrophobicContact CG1-CD1 3.68Å; I93-I97 HydrophobicContact CG1-CG1 4.4Å; I93-I97 WeakPolarHBondContact O-CB 3.39Å; I93-I97 VanDerWaalsContact O-CG1 3.27Å; I93-I97 WeakPolarHBondContact O-CG1 3.28Å; I93-I97 PolarHBondContact O-N 2.98Å; I97-N100 PolarHBondContact O-N 3.41Å; I97-L101 PolarHBondContact O-N 3.05Å; I97-I119 HydrophobicContact CD1-CG2 3.98Å; I97-I119 HydrophobicContact CG2-CG2 3.98Å; I97-V120 HydrophobicContact CG2-CG2 3.49Å; I97-V120 VanDerWaalsContact CG2-CG2 3.49Å; I97-V123 HydrophobicContact CD1-CG2 4.19Å; I97-V123 HydrophobicContact CG2-CG2 4.26Å
98G60.5Low60.2Low1 Ų141.7 Ų41.71%0.0121%0.209CC..Hα-helixtrans-65-41.4176.100000113.5F94 L101 C102F94-G98 PolarHBondContact O-N 2.83Å; G98-L101 WeakPolarHBondContact O-CB 3.27Å; G98-L101 PolarHBondContact O-N 2.71Å; G98-C102 PolarHBondContact O-N 2.89Å; G98-C102 PolarHBondContact O-SG 3.08Å
99W61.7Low59.5Low119 Ų11944.9 Ų44.945%0.45124%0.237SC..Hα-helixtrans-64.2-41.4176.7-173.7-72000112.4K51 K95 Y96 L101 C102 L103K51-W99 HydrophobicContact CB-CD2 4.25Å; K51-W99 HydrophobicContact CB-CG 4.24Å; K51-W99 HydrophobicContact CD-CE3 4.47Å; K95-W99 WeakPolarHBondContact O-CB 3.4Å; K95-W99 PolarHBondContact O-N 3.37Å; Y96-W99 PolarHBondContact O-N 2.87Å; W99-L101 VanDerWaalsContact C-N 3.3Å; W99-L101 PolarHBondContact O-N 3.36Å; W99-C102 WeakPolarHBondContact O-CB 3.38Å; W99-C102 PolarHBondContact O-N 2.87Å; W99-C102 VanDerWaalsContact O-N 3.08Å; W99-L103 VanDerWaalsContact CD1-CD1 3.48Å; W99-L103 VanDerWaalsContact NE1-CD1 3.28Å; W99-L103 PolarHBondContact O-N 3.18Å
100N61Low60Low5 Ų543.2 Ų43.23%0.02723%0.232CC..Hα-helixtrans-58.8-42.7178-91.1-79.5000111.5Y96 I97 C102 L103 F104Y96-N100 WeakPolarHBondContact CD2-ND2 3.39Å; Y96-N100 WeakPolarHBondContact CE1-ND2 3.34Å; Y96-N100 WeakPolarHBondContact CE2-ND2 3.44Å; Y96-N100 WeakPolarHBondContact O-CB 3.23Å; Y96-N100 PolarHBondContact O-N 3.28Å; Y96-N100 PolarHBondContact O-ND2 3.48Å; I97-N100 PolarHBondContact O-N 3.41Å; N100-C102 VanDerWaalsContact C-N 3.26Å; N100-C102 PolarHBondContact O-N 3.32Å; N100-L103 PolarHBondContact O-N 3.33Å; N100-L103 VanDerWaalsContact O-N 3.09Å; N100-F104 VanDerWaalsContact C-CD2 3.48Å; N100-F104 HydrophobicContact CB-CD2 3.92Å; N100-F104 HydrophobicContact CB-CE2 3.63Å; N100-F104 WeakPolarHBondContact O-CD2 3.4Å; N100-F104 PolarHBondContact O-N 2.84Å; N100-F104 VanDerWaalsContact OD1-CE2 3.28Å; N100-F104 WeakPolarHBondContact OD1-CE2 3.34Å
101L58.6Low60.8Low1 Ų143 Ų431%0.00524%0.238CC..Hα-helixtrans-54.4-43.6173.8-79.4-172.5000113I97 G98 W99 L103 F104 Y105 L116 V120 V151I97-L101 PolarHBondContact O-N 3.05Å; G98-L101 WeakPolarHBondContact O-CB 3.27Å; G98-L101 PolarHBondContact O-N 2.71Å; W99-L101 VanDerWaalsContact C-N 3.3Å; W99-L101 PolarHBondContact O-N 3.36Å; L101-L103 PolarHBondContact O-N 3.47Å; L101-L103 VanDerWaalsContact O-N 3.15Å; L101-F104 PolarHBondContact O-N 3.38Å; L101-Y105 WeakPolarHBondContact O-CB 3.49Å; L101-Y105 PolarHBondContact O-N 3.24Å; L101-L116 HydrophobicContact CD2-CB 4.03Å; L101-V120 HydrophobicContact CD1-CB 3.43Å; L101-V120 VanDerWaalsContact CD1-CB 3.43Å; L101-V120 HydrophobicContact CD1-CG1 3.41Å; L101-V120 VanDerWaalsContact CD1-CG1 3.41Å; L101-V120 HydrophobicContact CD1-CG2 3.1Å; L101-V120 HydrophobicContact CD2-CG2 3.92Å; L101-V120 HydrophobicContact CG-CB 4.18Å; L101-V120 HydrophobicContact CG-CG2 3.3Å; L101-V151 HydrophobicContact CB-CG1 4.16Å; L101-V151 HydrophobicContact CB-CG2 4.44Å; L101-V151 HydrophobicContact CD1-CG2 4.21Å
102C56.7Low61.4Low30 Ų3042.8 Ų42.820%0.20324%0.237CC..Hα-helixtrans-58.4-31.3-178.1-56.10000112.1G98 W99 N100 P106 N150 V151G98-C102 PolarHBondContact O-N 2.89Å; G98-C102 PolarHBondContact O-SG 3.08Å; W99-C102 WeakPolarHBondContact O-CB 3.38Å; W99-C102 PolarHBondContact O-N 2.87Å; W99-C102 VanDerWaalsContact O-N 3.08Å; N100-C102 VanDerWaalsContact C-N 3.26Å; N100-C102 PolarHBondContact O-N 3.32Å; C102-P106 WeakPolarHBondContact O-CD 3.32Å; C102-N150 HydrophobicContact CB-CB 4.2Å; C102-N150 WeakPolarHBondContact SG-CB 3.32Å; C102-V151 HydrophobicContact CB-CG1 4.01Å
103L58.5Low61.9Low57 Ų5741.1 Ų41.130%0.29823%0.229SC..Hα-helixtrans-92.4-32.8-177-67.3173.2000114A55 H59 W99 N100 L101 P106A55-L103 HydrophobicContact CB-CD1 2.96Å; A55-L103 HydrophobicContact CB-CG 4.42Å; H59-L103 PolarHBondContact CE1-O 3.14Å; W99-L103 VanDerWaalsContact CD1-CD1 3.48Å; W99-L103 VanDerWaalsContact NE1-CD1 3.28Å; W99-L103 PolarHBondContact O-N 3.18Å; N100-L103 PolarHBondContact O-N 3.33Å; N100-L103 VanDerWaalsContact O-N 3.09Å; L101-L103 PolarHBondContact O-N 3.47Å; L101-L103 VanDerWaalsContact O-N 3.15Å; L103-P106 WeakPolarHBondContact O-CD 3.38Å
104F59.7Low62.7Low3 Ų347.6 Ų47.61%0.01326%0.257CS..Hα-helixtrans-76.5-36177.3-68.7-62.8000112.3C58 L70 N100 L101 P106 N107 Y108 L113 L116C58-F104 HydrophobicContact CB-CD1 4.49Å; C58-F104 HydrophobicContact CB-CE1 3.21Å; C58-F104 HydrophobicContact CB-CE2 4.24Å; C58-F104 HydrophobicContact CB-CZ 3.05Å; L70-F104 HydrophobicContact CD1-CZ 4.36Å; N100-F104 VanDerWaalsContact C-CD2 3.48Å; N100-F104 HydrophobicContact CB-CD2 3.92Å; N100-F104 HydrophobicContact CB-CE2 3.63Å; N100-F104 WeakPolarHBondContact O-CD2 3.4Å; N100-F104 PolarHBondContact O-N 2.84Å; N100-F104 VanDerWaalsContact OD1-CE2 3.28Å; N100-F104 WeakPolarHBondContact OD1-CE2 3.34Å; L101-F104 PolarHBondContact O-N 3.38Å; F104-P106 VanDerWaalsContact C-CD 3.45Å; F104-N107 PolarHBondContact O-N 3.28Å; F104-N107 VanDerWaalsContact O-N 3.13Å; F104-Y108 HydrophobicContact CD1-CD2 4.26Å; F104-Y108 WeakPolarHBondContact O-CB 3.49Å; F104-Y108 PolarHBondContact O-N 2.98Å; F104-L113 HydrophobicContact CB-CD1 4.13Å; F104-L116 HydrophobicContact CD2-CD1 3.37Å; F104-L116 HydrophobicContact CE2-CD1 3.47Å; F104-L116 VanDerWaalsContact CE2-CD1 3.47Å; F104-L116 HydrophobicContact CG-CD1 4.02Å; F104-L116 HydrophobicContact CZ-CD1 4.14Å
105Y58.5Low63.6Low19 Ų1949.9 Ų49.98%0.07527%0.273CS..THydrogen-bonded Turntrans-57-39.6-171.4-141.7-87.8000115.5L101 N107 L113 S154 L155 Q158 Y159L101-Y105 WeakPolarHBondContact O-CB 3.49Å; L101-Y105 PolarHBondContact O-N 3.24Å; Y105-N107 VanDerWaalsContact C-N 3.31Å; Y105-N107 PolarHBondContact O-N 3.48Å; Y105-L113 HydrophobicContact CD2-CD1 3.8Å; Y105-L113 HydrophobicContact CD2-CD2 4.09Å; Y105-L113 HydrophobicContact CD2-CG 4.38Å; Y105-L113 HydrophobicContact CE2-CD1 4.32Å; Y105-L113 HydrophobicContact CE2-CD2 4.09Å; Y105-L113 HydrophobicContact CE2-CG 4.46Å; Y105-S154 VanDerWaalsContact CE1-C 3.49Å; Y105-S154 WeakPolarHBondContact CE1-O 3.27Å; Y105-S154 VanDerWaalsContact CZ-C 3.42Å; Y105-S154 PolarHBondContact OH-O 3.1Å; Y105-L155 HydrophobicContact CE2-CD2 3.86Å; Y105-L155 HydrophobicContact CE2-CG 4.45Å; Y105-L155 VanDerWaalsContact OH-CA 3.32Å; Y105-L155 WeakPolarHBondContact OH-CA 3.25Å; Y105-L155 PolarHBondContact OH-N 3.49Å; Y105-Q158 VanDerWaalsContact CE1-CD 3.45Å; Y105-Q158 HydrophobicContact CE1-CG 4.07Å; Y105-Q158 WeakPolarHBondContact OH-CB 3.47Å; Y105-Q158 WeakPolarHBondContact OH-CG 3.43Å; Y105-Q158 PolarHBondContact OH-NE2 2.97Å; Y105-Q158 PolarHBondContact OH-OE1 3.05Å; Y105-Y159 HydrophobicContact CE2-CE2 4.42Å
106P55.4Low64.2Low97 Ų9747.6 Ų47.663%0.6326%0.264SS*.THydrogen-bonded Turntrans-71.9-23.5-179.2-16.830.3000113.9C102 L103 F104C102-P106 WeakPolarHBondContact O-CD 3.32Å; L103-P106 WeakPolarHBondContact O-CD 3.38Å; F104-P106 VanDerWaalsContact C-CD 3.45Å
107N54.9Low65.1Low111 Ų11147.6 Ų47.659%0.59426%0.264SS*.THydrogen-bonded Turntrans-127-4.5-161.4-66.3-47.2000114.5H59 F104 Y105H59-N107 VanDerWaalsContact NE2-CB 3.3Å; H59-N107 WeakPolarHBondContact NE2-CB 3.21Å; H59-N107 PolarHBondContact NE2-ND2 3.39Å; F104-N107 PolarHBondContact O-N 3.28Å; F104-N107 VanDerWaalsContact O-N 3.13Å; Y105-N107 VanDerWaalsContact C-N 3.31Å; Y105-N107 PolarHBondContact O-N 3.48Å
108Y58.2Low66.2Low45 Ų4550 Ų5018%0.17628%0.282CS..  trans-121.1115.5-175.5-123.6-87.4000111.3H67 F104 L112 L113H67-Y108 AromaticContact CE1-CZ 3.73Å; H67-Y108 PolarHBondContact CE1-OH 3.08Å; H67-Y108 AromaticContact NE2-CZ 3.81Å; H67-Y108 PolarHBondContact NE2-OH 3.21Å; F104-Y108 HydrophobicContact CD1-CD2 4.26Å; F104-Y108 WeakPolarHBondContact O-CB 3.49Å; F104-Y108 PolarHBondContact O-N 2.98Å; Y108-L112 HydrophobicContact CD1-CB 4.47Å; Y108-L112 HydrophobicContact CD1-CD2 4.37Å; Y108-L112 HydrophobicContact CE1-CB 4.4Å; Y108-L112 HydrophobicContact CE1-CD2 4.09Å; Y108-L113 WeakPolarHBondContact O-CD2 3.39Å
109V53.3Low67.3Low153 Ų15350.4 Ų50.493%0.92728%0.283SS*.  trans-111.3104.1170-176.40000106.7
110G66.5Low68.3Low40 Ų4044.8 Ų44.841%0.41226%0.262SS..SBendtrans173.7-179.6-17900000115.9L112 L113G110-L112 VanDerWaalsContact C-N 3.27Å; G110-L112 PolarHBondContact O-N 3.26Å; G110-L113 PolarHBondContact O-N 3.09Å
111T72.6Confident69.6Low100 Ų10044.7 Ų44.761%0.61326%0.262SS*.Hα-helixtrans-59.2-34.4-179.449.90000113L113 K114 S115T111-L113 PolarHBondContact O-N 3.22Å; T111-K114 PolarHBondContact O-N 3.44Å; T111-S115 PolarHBondContact O-N 3.33Å; T111-S115 VanDerWaalsContact O-N 3.08Å; T111-S115 PolarHBondContact O-OG 3.27Å
112L71.1Confident71.1Confident4 Ų446.2 Ų46.22%0.02127%0.274CS..Hα-helixtrans-58.4-46.1176.1176.561.2000112.1H67 L71 Y108 G110 K114 S115 L116H67-L112 HydrophobicContact CB-CD1 4.11Å; H67-L112 HydrophobicContact CB-CD2 3.98Å; H67-L112 HydrophobicContact CB-CG 4.47Å; L71-L112 HydrophobicContact CD1-CD1 3.62Å; L71-L112 HydrophobicContact CD2-CD1 3.71Å; L71-L112 HydrophobicContact CG-CD1 3.44Å; L71-L112 VanDerWaalsContact CG-CD1 3.44Å; Y108-L112 HydrophobicContact CD1-CB 4.47Å; Y108-L112 HydrophobicContact CD1-CD2 4.37Å; Y108-L112 HydrophobicContact CE1-CB 4.4Å; Y108-L112 HydrophobicContact CE1-CD2 4.09Å; G110-L112 VanDerWaalsContact C-N 3.27Å; G110-L112 PolarHBondContact O-N 3.26Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 2.87Å; L112-S115 PolarHBondContact O-N 3.09Å; L112-L116 HydrophobicContact CD1-CD1 3.97Å; L112-L116 HydrophobicContact CD1-CG 3.99Å; L112-L116 HydrophobicContact CD2-CD1 4.47Å; L112-L116 HydrophobicContact CG-CD1 3.88Å; L112-L116 HydrophobicContact CG-CG 4.33Å; L112-L116 WeakPolarHBondContact O-CG 3.34Å; L112-L116 PolarHBondContact O-N 3.16Å
113L73.1Confident72.5Confident5 Ų544.9 Ų44.93%0.02627%0.265CS..Hα-helixtrans-62.3-41.8-178.8-175.766.1000111F104 Y105 Y108 G110 T111 S115 L116 A117F104-L113 HydrophobicContact CB-CD1 4.13Å; Y105-L113 HydrophobicContact CD2-CD1 3.8Å; Y105-L113 HydrophobicContact CD2-CD2 4.09Å; Y105-L113 HydrophobicContact CD2-CG 4.38Å; Y105-L113 HydrophobicContact CE2-CD1 4.32Å; Y105-L113 HydrophobicContact CE2-CD2 4.09Å; Y105-L113 HydrophobicContact CE2-CG 4.46Å; Y108-L113 WeakPolarHBondContact O-CD2 3.39Å; G110-L113 PolarHBondContact O-N 3.09Å; T111-L113 PolarHBondContact O-N 3.22Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 3.15Å; L113-L116 PolarHBondContact O-N 3.34Å; L113-A117 VanDerWaalsContact O-CB 3.28Å; L113-A117 WeakPolarHBondContact O-CB 3.26Å; L113-A117 PolarHBondContact O-N 3.19Å
114K80.7Confident74.1Confident141 Ų14142.3 Ų42.361%0.61325%0.252SS*.Hα-helixtrans-60.2-44175.6-174.7178.5178.31790111.6T111 L112 S118 Y159T111-K114 PolarHBondContact O-N 3.44Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 2.87Å; K114-S118 PolarHBondContact O-N 2.57Å; K114-Y159 WeakPolarHBondContact CA-OH 3.46Å
115S82.3Confident75.7Confident50 Ų5044.8 Ų44.835%0.3527%0.265SS..Hα-helixtrans-66.4-43.4178-62.80000112.1T111 L112 L113 S118 I119T111-S115 PolarHBondContact O-N 3.33Å; T111-S115 VanDerWaalsContact O-N 3.08Å; T111-S115 PolarHBondContact O-OG 3.27Å; L112-S115 PolarHBondContact O-N 3.09Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 3.15Å; S115-S118 WeakPolarHBondContact O-CA 3.26Å; S115-S118 WeakPolarHBondContact O-CB 3.07Å; S115-S118 PolarHBondContact O-N 2.81Å; S115-S118 VanDerWaalsContact O-N 3.17Å; S115-I119 WeakPolarHBondContact O-CG1 3.08Å; S115-I119 PolarHBondContact O-N 2.84Å; S115-I119 VanDerWaalsContact O-N 3.09Å
116L77.8Confident77.3Confident11 Ų1145.3 Ų45.36%0.05827%0.267CS..Hα-helixtrans-64.6-44.3175.9-71.5173.2000112L71 L101 F104 L112 L113 S118 I119 V120L71-L116 HydrophobicContact CD2-CD2 3.76Å; L71-L116 HydrophobicContact CD2-CG 3.92Å; L101-L116 HydrophobicContact CD2-CB 4.03Å; F104-L116 HydrophobicContact CD2-CD1 3.37Å; F104-L116 HydrophobicContact CE2-CD1 3.47Å; F104-L116 VanDerWaalsContact CE2-CD1 3.47Å; F104-L116 HydrophobicContact CG-CD1 4.02Å; F104-L116 HydrophobicContact CZ-CD1 4.14Å; L112-L116 HydrophobicContact CD1-CD1 3.97Å; L112-L116 HydrophobicContact CD1-CG 3.99Å; L112-L116 HydrophobicContact CD2-CD1 4.47Å; L112-L116 HydrophobicContact CG-CD1 3.88Å; L112-L116 HydrophobicContact CG-CG 4.33Å; L112-L116 WeakPolarHBondContact O-CG 3.34Å; L112-L116 PolarHBondContact O-N 3.16Å; L113-L116 PolarHBondContact O-N 3.34Å; L116-S118 PolarHBondContact O-N 2.75Å; L116-I119 PolarHBondContact O-N 3.12Å; L116-I119 VanDerWaalsContact O-N 3.16Å; L116-V120 VanDerWaalsContact O-CG2 3.29Å; L116-V120 WeakPolarHBondContact O-CG2 3.4Å; L116-V120 PolarHBondContact O-N 3.08Å
117A82Confident79Confident0 Ų040.7 Ų40.70%024%0.237CC..Hα-helixtrans-57.4-40.8172.800000110.5L113 I119 V120 F121 L155 Y159L113-A117 VanDerWaalsContact O-CB 3.28Å; L113-A117 WeakPolarHBondContact O-CB 3.26Å; L113-A117 PolarHBondContact O-N 3.19Å; A117-I119 PolarHBondContact O-N 3.43Å; A117-V120 PolarHBondContact O-N 3.34Å; A117-F121 WeakPolarHBondContact O-CD2 3.39Å; A117-F121 PolarHBondContact O-N 3.43Å; A117-L155 HydrophobicContact CB-CD2 4.49Å; A117-Y159 HydrophobicContact CB-CD2 4.19Å; A117-Y159 HydrophobicContact CB-CE2 3.55Å
118S87.1Confident80.9Confident59 Ų5935.5 Ų35.541%0.41321%0.209SC..Hα-helixtrans-54.7-50.3173.8-158.70000113.3K114 S115 L116 V120 F121 A122 R162K114-S118 PolarHBondContact O-N 2.57Å; S115-S118 WeakPolarHBondContact O-CA 3.26Å; S115-S118 WeakPolarHBondContact O-CB 3.07Å; S115-S118 PolarHBondContact O-N 2.81Å; S115-S118 VanDerWaalsContact O-N 3.17Å; L116-S118 PolarHBondContact O-N 2.75Å; S118-V120 VanDerWaalsContact C-N 3.28Å; S118-V120 PolarHBondContact O-N 2.89Å; S118-F121 PolarHBondContact O-N 3.08Å; S118-A122 WeakPolarHBondContact O-CB 3.42Å; S118-A122 PolarHBondContact O-N 2.85Å; S118-R162 VanDerWaalsContact CA-NH1 3.3Å
119I83Confident82.7Confident8 Ų835.5 Ų35.54%0.04122%0.216CC..Hα-helixtrans-60-42.3177.9-62171.6000110L71 C74 N75 I97 S115 L116 A117 A122 V123L71-I119 HydrophobicContact CD2-CD1 4.12Å; C74-I119 HydrophobicContact CB-CD1 3.75Å; N75-I119 WeakPolarHBondContact OD1-CD1 3.41Å; N75-I119 WeakPolarHBondContact OD1-CG1 3.16Å; I97-I119 HydrophobicContact CD1-CG2 3.98Å; I97-I119 HydrophobicContact CG2-CG2 3.98Å; S115-I119 WeakPolarHBondContact O-CG1 3.08Å; S115-I119 PolarHBondContact O-N 2.84Å; S115-I119 VanDerWaalsContact O-N 3.09Å; L116-I119 PolarHBondContact O-N 3.12Å; L116-I119 VanDerWaalsContact O-N 3.16Å; A117-I119 PolarHBondContact O-N 3.43Å; I119-A122 CarbonylContact O-C 3.57Å; I119-A122 WeakPolarHBondContact O-CB 3.15Å; I119-A122 PolarHBondContact O-N 3.19Å; I119-V123 HydrophobicContact CG2-CG2 4.33Å; I119-V123 VanDerWaalsContact O-CG2 3.28Å; I119-V123 WeakPolarHBondContact O-CG2 3.28Å; I119-V123 PolarHBondContact O-N 3.2Å
120V82.5Confident84.6Confident2 Ų230.8 Ų30.81%0.01219%0.193CC..Hα-helixtrans-67.8-46.2-177.1175.10000113.1I97 L101 L116 A117 S118 A122 V123 F124I97-V120 HydrophobicContact CG2-CG2 3.49Å; I97-V120 VanDerWaalsContact CG2-CG2 3.49Å; L101-V120 HydrophobicContact CD1-CB 3.43Å; L101-V120 VanDerWaalsContact CD1-CB 3.43Å; L101-V120 HydrophobicContact CD1-CG1 3.41Å; L101-V120 VanDerWaalsContact CD1-CG1 3.41Å; L101-V120 HydrophobicContact CD1-CG2 3.1Å; L101-V120 HydrophobicContact CD2-CG2 3.92Å; L101-V120 HydrophobicContact CG-CB 4.18Å; L101-V120 HydrophobicContact CG-CG2 3.3Å; L116-V120 VanDerWaalsContact O-CG2 3.29Å; L116-V120 WeakPolarHBondContact O-CG2 3.4Å; L116-V120 PolarHBondContact O-N 3.08Å; A117-V120 PolarHBondContact O-N 3.34Å; S118-V120 VanDerWaalsContact C-N 3.28Å; S118-V120 PolarHBondContact O-N 2.89Å; V120-A122 PolarHBondContact O-N 3.2Å; V120-V123 WeakPolarHBondContact O-CB 3.34Å; V120-V123 PolarHBondContact O-N 2.78Å; V120-V123 VanDerWaalsContact O-N 3.1Å; V120-F124 HydrophobicContact CG1-CD1 4.3Å; V120-F124 HydrophobicContact CG1-CD2 3.85Å; V120-F124 HydrophobicContact CG1-CE1 3.87Å; V120-F124 HydrophobicContact CG1-CE2 3.36Å; V120-F124 HydrophobicContact CG1-CG 4.3Å; V120-F124 HydrophobicContact CG1-CZ 3.37Å; V120-F124 WeakPolarHBondContact O-CG 3.26Å; V120-F124 PolarHBondContact O-N 2.84Å
121F89.6Confident85.9Confident3 Ų333.3 Ų33.31%0.01320%0.202CC..Hα-helixtrans-59-38174.2-82.1-73.9000110.7A117 S118 F124 N125 L155 Y159 R162 L163 L166A117-F121 WeakPolarHBondContact O-CD2 3.39Å; A117-F121 PolarHBondContact O-N 3.43Å; S118-F121 PolarHBondContact O-N 3.08Å; F121-F124 PolarHBondContact O-N 3.49Å; F121-N125 VanDerWaalsContact O-CB 3.31Å; F121-N125 WeakPolarHBondContact O-CB 3.45Å; F121-N125 VanDerWaalsContact O-CG 3.23Å; F121-N125 PolarHBondContact O-N 3.2Å; F121-N125 PolarHBondContact O-ND2 3.32Å; F121-L155 HydrophobicContact CE2-CD2 4.12Å; F121-L155 HydrophobicContact CZ-CD2 4.46Å; F121-Y159 HydrophobicContact CE2-CD2 4.19Å; F121-Y159 HydrophobicContact CE2-CG 4.35Å; F121-R162 HydrophobicContact CD1-CB 4.24Å; F121-R162 HydrophobicContact CD2-CB 4.32Å; F121-R162 VanDerWaalsContact CD2-NH1 3.28Å; F121-R162 HydrophobicContact CE1-CB 3.89Å; F121-R162 WeakPolarHBondContact CE1-O 3.46Å; F121-R162 HydrophobicContact CE2-CB 3.98Å; F121-R162 HydrophobicContact CG-CB 4.45Å; F121-R162 HydrophobicContact CZ-CB 3.75Å; F121-L163 HydrophobicContact CE1-CD1 4.18Å; F121-L163 HydrophobicContact CZ-CD1 4.28Å; F121-L166 HydrophobicContact CD1-CB 4.18Å; F121-L166 HydrophobicContact CD1-CD2 4.03Å; F121-L166 HydrophobicContact CE1-CB 4.08Å; F121-L166 HydrophobicContact CE1-CD2 3.89Å
122A89.6Confident86.8Confident33 Ų3329 Ų2927%0.27318%0.176SC..Hα-helixtrans-64.6-39.7174.600000112.5F78 S118 I119 V120 Y126F78-A122 HydrophobicContact CE1-CB 3.96Å; F78-A122 HydrophobicContact CE2-CB 4.35Å; F78-A122 HydrophobicContact CZ-CB 3.64Å; S118-A122 WeakPolarHBondContact O-CB 3.42Å; S118-A122 PolarHBondContact O-N 2.85Å; I119-A122 CarbonylContact O-C 3.57Å; I119-A122 WeakPolarHBondContact O-CB 3.15Å; I119-A122 PolarHBondContact O-N 3.19Å; V120-A122 PolarHBondContact O-N 3.2Å; A122-Y126 VanDerWaalsContact O-CB 3.25Å; A122-Y126 WeakPolarHBondContact O-CB 3.47Å; A122-Y126 PolarHBondContact O-N 3.38Å
123V87Confident88Confident2 Ų229.1 Ų29.11%0.01218%0.176CC..Hα-helixtrans-60.5-51.7173.1165.80000111.7F78 F94 I97 I119 V120 Y126 L127F78-V123 HydrophobicContact CD2-CG2 3.58Å; F78-V123 HydrophobicContact CE2-CB 4.31Å; F78-V123 HydrophobicContact CE2-CG2 3.6Å; F94-V123 HydrophobicContact CB-CG1 4.03Å; F94-V123 HydrophobicContact CD1-CB 3.94Å; F94-V123 HydrophobicContact CD1-CG1 3.12Å; F94-V123 HydrophobicContact CD1-CG2 3.56Å; F94-V123 HydrophobicContact CE1-CB 4.1Å; F94-V123 HydrophobicContact CE1-CG1 3.62Å; F94-V123 HydrophobicContact CE1-CG2 3.63Å; F94-V123 HydrophobicContact CG-CG1 3.7Å; I97-V123 HydrophobicContact CD1-CG2 4.19Å; I97-V123 HydrophobicContact CG2-CG2 4.26Å; I119-V123 HydrophobicContact CG2-CG2 4.33Å; I119-V123 VanDerWaalsContact O-CG2 3.28Å; I119-V123 WeakPolarHBondContact O-CG2 3.28Å; I119-V123 PolarHBondContact O-N 3.2Å; V120-V123 WeakPolarHBondContact O-CB 3.34Å; V120-V123 PolarHBondContact O-N 2.78Å; V120-V123 VanDerWaalsContact O-N 3.1Å; V123-Y126 PolarHBondContact O-N 2.92Å; V123-L127 HydrophobicContact CG1-CD1 4.07Å; V123-L127 WeakPolarHBondContact O-CG 3.19Å; V123-L127 PolarHBondContact O-N 3Å
124F90.8Very high88.9Confident3 Ų334.4 Ų34.41%0.01320%0.201CC..Hα-helixtrans-63.8-45-178.8-63.9-17.7000111V120 F121 Y126 L127 L128 V144 L148 L166V120-F124 HydrophobicContact CG1-CD1 4.3Å; V120-F124 HydrophobicContact CG1-CD2 3.85Å; V120-F124 HydrophobicContact CG1-CE1 3.87Å; V120-F124 HydrophobicContact CG1-CE2 3.36Å; V120-F124 HydrophobicContact CG1-CG 4.3Å; V120-F124 HydrophobicContact CG1-CZ 3.37Å; V120-F124 WeakPolarHBondContact O-CG 3.26Å; V120-F124 PolarHBondContact O-N 2.84Å; F121-F124 PolarHBondContact O-N 3.49Å; F124-Y126 VanDerWaalsContact C-N 3.31Å; F124-Y126 PolarHBondContact O-N 3.39Å; F124-L127 PolarHBondContact O-N 3.46Å; F124-L128 HydrophobicContact CB-CD1 4.45Å; F124-L128 WeakPolarHBondContact O-CB 3.37Å; F124-L128 WeakPolarHBondContact O-CG 3.39Å; F124-L128 PolarHBondContact O-N 2.94Å; F124-V144 HydrophobicContact CD1-CB 4.42Å; F124-V144 HydrophobicContact CD1-CG1 4.08Å; F124-V144 HydrophobicContact CD1-CG2 3.86Å; F124-V144 HydrophobicContact CE1-CB 4.43Å; F124-V144 HydrophobicContact CE1-CG1 4.29Å; F124-V144 HydrophobicContact CE1-CG2 4.16Å; F124-V144 HydrophobicContact CG-CG1 4.37Å; F124-L148 HydrophobicContact CD2-CD2 4.24Å; F124-L148 HydrophobicContact CD2-CG 4.45Å; F124-L148 HydrophobicContact CE2-CD1 4.34Å; F124-L148 HydrophobicContact CE2-CD2 3.65Å; F124-L148 HydrophobicContact CE2-CG 3.8Å; F124-L148 HydrophobicContact CZ-CD2 4.47Å; F124-L148 HydrophobicContact CZ-CG 4.23Å; F124-L166 HydrophobicContact CB-CD1 3.75Å; F124-L166 HydrophobicContact CD2-CD2 3.86Å
125N93.9Very high89.5Confident54 Ų5432.1 Ų32.129%0.28920%0.199SC..Hα-helixtrans-61.2-40.3176.2-73-20.3000112F121 S129 L166 T169F121-N125 VanDerWaalsContact O-CB 3.31Å; F121-N125 WeakPolarHBondContact O-CB 3.45Å; F121-N125 VanDerWaalsContact O-CG 3.23Å; F121-N125 PolarHBondContact O-N 3.2Å; F121-N125 PolarHBondContact O-ND2 3.32Å; N125-S129 WeakPolarHBondContact O-CB 3.32Å; N125-S129 PolarHBondContact O-N 3.09Å; N125-S129 PolarHBondContact O-OG 3.34Å; N125-L166 WeakPolarHBondContact OD1-CD1 3.47Å; N125-T169 PolarHBondContact OD1-OG1 3.32Å
126Y92Very high89.9Confident31 Ų3130.2 Ų30.212%0.12219%0.185CC..Hα-helixtrans-61.9-49.6175.2167.4-100.8000111.9R81 E82 F94 A122 V123 F124 L128 V132R81-Y126 HydrophobicContact CB-CE1 4.35Å; R81-Y126 HydrophobicContact CG-CD1 4.42Å; R81-Y126 HydrophobicContact CG-CE1 3.95Å; R81-Y126 HydrophobicContact CG-CE2 4.08Å; E82-Y126 PolarHBondContact OE2-OH 3.36Å; F94-Y126 HydrophobicContact CE2-CD1 4.32Å; F94-Y126 HydrophobicContact CE2-CE1 4.07Å; F94-Y126 AromaticContact CZ-CD1 3.7Å; F94-Y126 HydrophobicContact CZ-CD1 3.7Å; F94-Y126 AromaticContact CZ-CE1 3.68Å; F94-Y126 HydrophobicContact CZ-CE1 3.68Å; A122-Y126 VanDerWaalsContact O-CB 3.25Å; A122-Y126 WeakPolarHBondContact O-CB 3.47Å; A122-Y126 PolarHBondContact O-N 3.38Å; V123-Y126 PolarHBondContact O-N 2.92Å; F124-Y126 VanDerWaalsContact C-N 3.31Å; F124-Y126 PolarHBondContact O-N 3.39Å; Y126-L128 VanDerWaalsContact C-N 3.32Å; Y126-L128 PolarHBondContact O-N 3.19Å; Y126-V132 HydrophobicContact CD1-CG1 4.3Å; Y126-V132 HydrophobicContact CD2-CG2 3.8Å; Y126-V132 HydrophobicContact CE1-CG1 3.92Å; Y126-V132 HydrophobicContact CE1-CG2 4.18Å; Y126-V132 HydrophobicContact CE2-CG2 3.33Å; Y126-V132 HydrophobicContact CG-CG2 4.41Å; Y126-V132 VanDerWaalsContact O-CB 3.27Å; Y126-V132 WeakPolarHBondContact O-CB 3.29Å; Y126-V132 WeakPolarHBondContact O-CG1 3.45Å
127L90.9Very high90.4Very high0 Ų033.1 Ų33.10%020%0.197CC..Hα-helixtrans-64.9-35.6-179.2-72.5175.7000113L91 F94 V123 F124 V132 E140 V144L91-L127 HydrophobicContact CD1-CD2 4.47Å; F94-L127 HydrophobicContact CB-CD1 4.4Å; F94-L127 HydrophobicContact CD2-CD1 3.95Å; F94-L127 HydrophobicContact CD2-CD2 3.93Å; F94-L127 HydrophobicContact CD2-CG 4.25Å; F94-L127 HydrophobicContact CE2-CD1 4.38Å; F94-L127 HydrophobicContact CE2-CD2 3.67Å; F94-L127 HydrophobicContact CE2-CG 4.18Å; F94-L127 HydrophobicContact CG-CD1 4.16Å; F94-L127 HydrophobicContact CZ-CD2 4.38Å; V123-L127 HydrophobicContact CG1-CD1 4.07Å; V123-L127 WeakPolarHBondContact O-CG 3.19Å; V123-L127 PolarHBondContact O-N 3Å; F124-L127 PolarHBondContact O-N 3.46Å; L127-V132 HydrophobicContact CD2-CG1 4.15Å; L127-E140 HydrophobicContact CD2-CB 4.41Å; L127-V144 HydrophobicContact CD1-CG2 3.74Å
128L94.9Very high90.7Very high1 Ų137.3 Ų37.31%0.00522%0.217CC..Hα-helixtrans-94.63.3-171.7-61.4175.4000113.5F124 Y126 L141 V144 L166 T169 F170 S173 I186 L189F124-L128 HydrophobicContact CB-CD1 4.45Å; F124-L128 WeakPolarHBondContact O-CB 3.37Å; F124-L128 WeakPolarHBondContact O-CG 3.39Å; F124-L128 PolarHBondContact O-N 2.94Å; Y126-L128 VanDerWaalsContact C-N 3.32Å; Y126-L128 PolarHBondContact O-N 3.19Å; L128-L141 HydrophobicContact CD2-CD1 3.67Å; L128-V144 HydrophobicContact CD1-CG1 4.26Å; L128-L166 HydrophobicContact CD1-CD1 4.48Å; L128-T169 HydrophobicContact CB-CG2 3.82Å; L128-F170 HydrophobicContact CD1-CD1 3.61Å; L128-F170 HydrophobicContact CD1-CE1 3.43Å; L128-F170 VanDerWaalsContact CD1-CE1 3.43Å; L128-S173 WeakPolarHBondContact O-CB 3.44Å; L128-S173 PolarHBondContact O-OG 3.16Å; L128-I186 HydrophobicContact CD2-CD1 3.61Å; L128-L189 HydrophobicContact CD1-CD1 4.42Å; L128-L189 HydrophobicContact CD2-CD1 4.32Å
129S95.4Very high90.6Very high46 Ų4638.6 Ų38.632%0.32222%0.217SC..SBendtrans-110.8149.1177.2-57.40000111.4N125 V132 L133N125-S129 WeakPolarHBondContact O-CB 3.32Å; N125-S129 PolarHBondContact O-N 3.09Å; N125-S129 PolarHBondContact O-OG 3.34Å; S129-V132 WeakPolarHBondContact O-CB 3.29Å; S129-V132 PolarHBondContact O-N 3.17Å; S129-V132 VanDerWaalsContact O-N 3.12Å; S129-L133 PolarHBondContact O-N 3.46Å
130A94.2Very high90.7Very high54 Ų5438.3 Ų38.345%0.44622%0.215SC..THydrogen-bonded Turntrans-59.9146.6167.700000111
131P94.1Very high91Very high93 Ų9338.2 Ų38.260%0.60422%0.215SC*.THydrogen-bonded Turncis-85.3-8.31.934.9-36.1000114.1L133 E134P131-L133 VanDerWaalsContact C-N 3.29Å; P131-L133 PolarHBondContact O-N 3.37Å; P131-E134 WeakPolarHBondContact O-CB 3.21Å; P131-E134 PolarHBondContact O-N 3.31Å
132V91.7Very high90.8Very high9 Ų942.6 Ų42.66%0.05524%0.235CC..G310 helixtrans-61.2-39.6-174.2-178.90000111.5R85 Y126 L127 S129 E134 T135 I136R85-V132 PolarHBondContact NH2-O 2.95Å; Y126-V132 HydrophobicContact CD1-CG1 4.3Å; Y126-V132 HydrophobicContact CD2-CG2 3.8Å; Y126-V132 HydrophobicContact CE1-CG1 3.92Å; Y126-V132 HydrophobicContact CE1-CG2 4.18Å; Y126-V132 HydrophobicContact CE2-CG2 3.33Å; Y126-V132 HydrophobicContact CG-CG2 4.41Å; Y126-V132 VanDerWaalsContact O-CB 3.27Å; Y126-V132 WeakPolarHBondContact O-CB 3.29Å; Y126-V132 WeakPolarHBondContact O-CG1 3.45Å; L127-V132 HydrophobicContact CD2-CG1 4.15Å; S129-V132 WeakPolarHBondContact O-CB 3.29Å; S129-V132 PolarHBondContact O-N 3.17Å; S129-V132 VanDerWaalsContact O-N 3.12Å; V132-E134 PolarHBondContact O-N 2.99Å; V132-T135 CarbonylContact O-C 3.44Å; V132-T135 PolarHBondContact O-N 2.83Å; V132-T135 PolarHBondContact O-OG1 3.22Å; V132-I136 PolarHBondContact O-N 2.96Å; V132-I136 VanDerWaalsContact O-N 3.07Å
133L94.6Very high90.5Very high7 Ų741.6 Ų41.64%0.03723%0.226CC..G310 helixtrans-56.9-34.4174.4-178.468.3000112.8S129 P131 T135 I136 Q176 V182 I186S129-L133 PolarHBondContact O-N 3.46Å; P131-L133 VanDerWaalsContact C-N 3.29Å; P131-L133 PolarHBondContact O-N 3.37Å; L133-T135 PolarHBondContact O-N 3.49Å; L133-I136 HydrophobicContact CD1-CD1 4.4Å; L133-I136 HydrophobicContact CD1-CG2 4.39Å; L133-I136 WeakPolarHBondContact O-CB 3.21Å; L133-I136 VanDerWaalsContact O-CG2 3.22Å; L133-I136 WeakPolarHBondContact O-CG2 3.48Å; L133-I136 PolarHBondContact O-N 2.99Å; L133-Q176 HydrophobicContact CD2-CB 3.86Å; L133-V182 HydrophobicContact CD1-CG1 4.07Å; L133-I186 HydrophobicContact CD1-CD1 4.49Å
134E93.3Very high90.6Very high116 Ų11641.5 Ų41.554%0.54223%0.226SC..G310 helixtrans-70.4-22.4-177.8-55.4-167.1132.500112.7P131 V132 K178P131-E134 WeakPolarHBondContact O-CB 3.21Å; P131-E134 PolarHBondContact O-N 3.31Å; V132-E134 PolarHBondContact O-N 2.99Å; E134-K178 WeakPolarHBondContact OE1-CE 3.28Å; E134-K178 IonicContact OE1-NZ 3.43Å; E134-K178 PolarHBondContact OE1-NZ 3.14Å
135T92.5Very high90.5Very high93 Ų9341.8 Ų41.857%0.57123%0.227SC*.G310 helixtrans-118.519.8-179.657.40000111.5R85 V132 L133R85-T135 PolarHBondContact NH1-OG1 2.87Å; V132-T135 CarbonylContact O-C 3.44Å; V132-T135 PolarHBondContact O-N 2.83Å; V132-T135 PolarHBondContact O-OG1 3.22Å; L133-T135 PolarHBondContact O-N 3.49Å
136I91.4Very high90Very high10 Ų1042.1 Ų42.15%0.05123%0.234CC..  trans-65.4135-177.4-158.1175.4000110.6V132 L133 E140 L141 W181 V182V132-I136 PolarHBondContact O-N 2.96Å; V132-I136 VanDerWaalsContact O-N 3.07Å; L133-I136 HydrophobicContact CD1-CD1 4.4Å; L133-I136 HydrophobicContact CD1-CG2 4.39Å; L133-I136 WeakPolarHBondContact O-CB 3.21Å; L133-I136 VanDerWaalsContact O-CG2 3.22Å; L133-I136 WeakPolarHBondContact O-CG2 3.48Å; L133-I136 PolarHBondContact O-N 2.99Å; I136-E140 WeakPolarHBondContact CA-OE2 3.32Å; I136-E140 HydrophobicContact CG1-CB 4.1Å; I136-E140 VanDerWaalsContact CG1-OE2 3.26Å; I136-E140 WeakPolarHBondContact CG1-OE2 2.98Å; I136-L141 HydrophobicContact CD1-CB 4.1Å; I136-L141 HydrophobicContact CD1-CD1 4.13Å; I136-L141 HydrophobicContact CD1-CG 4.49Å; I136-W181 HydrophobicContact CG2-CH2 4.1Å; I136-W181 WeakPolarHBondContact O-CH2 3.44Å; I136-V182 HydrophobicContact CG2-CG1 4.13Å; I136-V182 HydrophobicContact CG2-CG2 3.84Å
137K87.9Confident89.6Confident71 Ų7141 Ų4131%0.30923%0.231SC..  trans-91.7155.1174.8-41.1170.1-179.9167.40109.6R85 E139 E140 L141R85-K137 PolarHBondContact O-NZ 3.11Å; K137-E139 VanDerWaalsContact C-N 3.29Å; K137-E139 WeakPolarHBondContact CB-OE2 3.47Å; K137-E139 PolarHBondContact O-N 2.81Å; K137-E140 HydrophobicContact CB-CG 3.67Å; K137-E140 HydrophobicContact CG-CG 4.21Å; K137-E140 PolarHBondContact N-OE2 3.32Å; K137-E140 WeakPolarHBondContact O-CB 3.16Å; K137-E140 WeakPolarHBondContact O-CG 3.47Å; K137-E140 PolarHBondContact O-N 2.92Å; K137-L141 PolarHBondContact O-N 3.24Å
138M88.4Confident89.5Confident88 Ų8841 Ų4143%0.43323%0.231SC..Hα-helixtrans-57.9-44.3-177.8-177.8169.3-72.600111.6E140 L141 E142 W181 M185M138-E140 PolarHBondContact O-N 3.31Å; M138-L141 PolarHBondContact O-N 3.34Å; M138-L141 VanDerWaalsContact O-N 3.12Å; M138-E142 HydrophobicContact CG-CG 4.28Å; M138-E142 WeakPolarHBondContact O-CG 3.43Å; M138-E142 PolarHBondContact O-N 3.44Å; M138-W181 HydrophobicContact CB-CH2 4.37Å; M138-W181 HydrophobicContact CB-CZ3 4.1Å; M138-W181 HydrophobicContact CE-CD2 4.4Å; M138-W181 HydrophobicContact CE-CE3 4.06Å; M138-M185 HydrophobicContact CG-CE 4.42Å; M138-M185 HydrophobicContact CG-SD 4.23Å
139E84Confident89.1Confident87 Ų8744.3 Ų44.341%0.40725%0.248SC..Hα-helixtrans-63.9-26.8-177-56.983.4171.900112.7K137 C143K137-E139 VanDerWaalsContact C-N 3.29Å; K137-E139 WeakPolarHBondContact CB-OE2 3.47Å; K137-E139 PolarHBondContact O-N 2.81Å; E139-C143 VanDerWaalsContact O-CB 3.26Å; E139-C143 WeakPolarHBondContact O-CB 3.28Å; E139-C143 PolarHBondContact O-N 3.3Å; E139-C143 VanDerWaalsContact O-N 3.08Å
140E85.8Confident88.4Confident1 Ų147.4 Ų47.41%0.00526%0.261CS..Hα-helixtrans-73.5-42.8178.2-35.1-167.4112.400110.3R85 L91 L127 I136 K137 M138 C143 V144R85-E140 IonicContact CZ-OE1 2.97Å; R85-E140 IonicContact CZ-OE2 3.27Å; R85-E140 VanDerWaalsContact CZ-OE2 3.27Å; R85-E140 IonicContact NE-OE1 2.66Å; R85-E140 PolarHBondContact NE-OE1 3.29Å; R85-E140 IonicContact NE-OE2 3.52Å; R85-E140 PolarHBondContact NE-OE2 3.28Å; R85-E140 IonicContact NH2-OE1 2.74Å; R85-E140 IonicContact NH2-OE2 3.39Å; R85-E140 PolarHBondContact NH2-OE2 3.04Å; L91-E140 HydrophobicContact CD1-CB 3.2Å; L91-E140 HydrophobicContact CD1-CG 3.07Å; L91-E140 WeakPolarHBondContact CD1-OE1 3.34Å; L91-E140 WeakPolarHBondContact CD2-OE1 3.13Å; L91-E140 HydrophobicContact CG-CB 4.49Å; L91-E140 HydrophobicContact CG-CG 3.93Å; L91-E140 VanDerWaalsContact CG-OE1 3.26Å; L91-E140 WeakPolarHBondContact CG-OE1 3.29Å; L127-E140 HydrophobicContact CD2-CB 4.41Å; I136-E140 WeakPolarHBondContact CA-OE2 3.32Å; I136-E140 HydrophobicContact CG1-CB 4.1Å; I136-E140 VanDerWaalsContact CG1-OE2 3.26Å; I136-E140 WeakPolarHBondContact CG1-OE2 2.98Å; K137-E140 HydrophobicContact CB-CG 3.67Å; K137-E140 HydrophobicContact CG-CG 4.21Å; K137-E140 PolarHBondContact N-OE2 3.32Å; K137-E140 WeakPolarHBondContact O-CB 3.16Å; K137-E140 WeakPolarHBondContact O-CG 3.47Å; K137-E140 PolarHBondContact O-N 2.92Å; M138-E140 PolarHBondContact O-N 3.31Å; E140-C143 WeakPolarHBondContact O-CB 3.38Å; E140-C143 PolarHBondContact O-N 2.77Å; E140-V144 WeakPolarHBondContact O-CG2 3.23Å; E140-V144 PolarHBondContact O-N 2.82Å; E140-V144 VanDerWaalsContact O-N 3.08Å
141L88.9Confident87.8Confident0 Ų045 Ų450%024%0.24CC..Hα-helixtrans-74.6-37.5179.8-165.253.5000111.3L128 I136 K137 M138 C143 V144 I145 V182 M185 I186 L189L128-L141 HydrophobicContact CD2-CD1 3.67Å; I136-L141 HydrophobicContact CD1-CB 4.1Å; I136-L141 HydrophobicContact CD1-CD1 4.13Å; I136-L141 HydrophobicContact CD1-CG 4.49Å; K137-L141 PolarHBondContact O-N 3.24Å; M138-L141 PolarHBondContact O-N 3.34Å; M138-L141 VanDerWaalsContact O-N 3.12Å; L141-C143 VanDerWaalsContact C-N 3.25Å; L141-C143 PolarHBondContact O-N 2.59Å; L141-V144 PolarHBondContact O-N 3.27Å; L141-I145 HydrophobicContact CG-CD1 4.36Å; L141-I145 WeakPolarHBondContact O-CD1 3.5Å; L141-I145 VanDerWaalsContact O-CG1 3.32Å; L141-I145 WeakPolarHBondContact O-CG1 3.11Å; L141-I145 PolarHBondContact O-N 3.24Å; L141-V182 HydrophobicContact CD2-CG1 4.39Å; L141-M185 HydrophobicContact CB-CE 3.69Å; L141-M185 HydrophobicContact CB-SD 4.29Å; L141-M185 HydrophobicContact CD2-CB 3.27Å; L141-M185 HydrophobicContact CD2-CE 4.16Å; L141-M185 HydrophobicContact CD2-CG 4.19Å; L141-M185 HydrophobicContact CD2-SD 3.93Å; L141-M185 HydrophobicContact CG-CB 3.85Å; L141-M185 HydrophobicContact CG-CE 3.83Å; L141-M185 HydrophobicContact CG-SD 4.27Å; L141-I186 HydrophobicContact CD1-CD1 3.83Å; L141-I186 HydrophobicContact CD2-CD1 4.17Å; L141-I186 HydrophobicContact CD2-CG1 4.42Å; L141-L189 HydrophobicContact CD1-CD1 3.93Å
142E86.6Confident87.6Confident96 Ų9640.5 Ų40.545%0.44921%0.211SC..Hα-helixtrans-58-38.9168.6-73.1-176.914900111.9M138 I145 S146 M185M138-E142 HydrophobicContact CG-CG 4.28Å; M138-E142 WeakPolarHBondContact O-CG 3.43Å; M138-E142 PolarHBondContact O-N 3.44Å; E142-I145 PolarHBondContact O-N 3.46Å; E142-S146 WeakPolarHBondContact O-CB 3.37Å; E142-S146 PolarHBondContact O-N 2.89Å; E142-S146 PolarHBondContact O-OG 3.42Å; E142-M185 HydrophobicContact CB-CE 4.42Å; E142-M185 HydrophobicContact CG-CE 3.64Å
143C83.1Confident87.5Confident12 Ų1246.2 Ų46.28%0.08123%0.233CC..Hα-helixtrans-64.4-44.1175.9177.20000111.7K95 E139 E140 L141 S147K95-C143 WeakPolarHBondContact CA-SG 3.42Å; K95-C143 HydrophobicContact CG-CB 4.03Å; K95-C143 VanDerWaalsContact CG-SG 3.52Å; K95-C143 PolarHBondContact N-SG 3.08Å; E139-C143 VanDerWaalsContact O-CB 3.26Å; E139-C143 WeakPolarHBondContact O-CB 3.28Å; E139-C143 PolarHBondContact O-N 3.3Å; E139-C143 VanDerWaalsContact O-N 3.08Å; E140-C143 WeakPolarHBondContact O-CB 3.38Å; E140-C143 PolarHBondContact O-N 2.77Å; L141-C143 VanDerWaalsContact C-N 3.25Å; L141-C143 PolarHBondContact O-N 2.59Å; C143-S147 VanDerWaalsContact O-CB 3.29Å; C143-S147 WeakPolarHBondContact O-CB 3.5Å; C143-S147 PolarHBondContact O-N 3.06Å; C143-S147 PolarHBondContact O-OG 2.94Å
144V88Confident87.1Confident0 Ų047.6 Ų47.60%024%0.243CC..Hα-helixtrans-60.5-50175.7173.90000110.4F124 L127 L128 E140 L141 S146 S147 L148 L189F124-V144 HydrophobicContact CD1-CB 4.42Å; F124-V144 HydrophobicContact CD1-CG1 4.08Å; F124-V144 HydrophobicContact CD1-CG2 3.86Å; F124-V144 HydrophobicContact CE1-CB 4.43Å; F124-V144 HydrophobicContact CE1-CG1 4.29Å; F124-V144 HydrophobicContact CE1-CG2 4.16Å; F124-V144 HydrophobicContact CG-CG1 4.37Å; L127-V144 HydrophobicContact CD1-CG2 3.74Å; L128-V144 HydrophobicContact CD1-CG1 4.26Å; E140-V144 WeakPolarHBondContact O-CG2 3.23Å; E140-V144 PolarHBondContact O-N 2.82Å; E140-V144 VanDerWaalsContact O-N 3.08Å; L141-V144 PolarHBondContact O-N 3.27Å; V144-S146 PolarHBondContact O-N 3.38Å; V144-S147 PolarHBondContact O-N 3.22Å; V144-L148 HydrophobicContact CG1-CD1 3.8Å; V144-L148 WeakPolarHBondContact O-CB 3.42Å; V144-L148 WeakPolarHBondContact O-CG 3.37Å; V144-L148 PolarHBondContact O-N 3.33Å; V144-L189 HydrophobicContact CG1-CD1 4.04Å; V144-L189 HydrophobicContact CG1-CD2 4.23Å
145I88.5Confident86.8Confident9 Ų942.1 Ų42.15%0.04622%0.217CC..Hα-helixtrans-58.3-51.2178.7-68.8158.8000110.7L141 E142 S147 L148 L149 M185 L188 L189 L192L141-I145 HydrophobicContact CG-CD1 4.36Å; L141-I145 WeakPolarHBondContact O-CD1 3.5Å; L141-I145 VanDerWaalsContact O-CG1 3.32Å; L141-I145 WeakPolarHBondContact O-CG1 3.11Å; L141-I145 PolarHBondContact O-N 3.24Å; E142-I145 PolarHBondContact O-N 3.46Å; I145-S147 VanDerWaalsContact C-N 3.3Å; I145-S147 PolarHBondContact O-N 3.18Å; I145-L148 PolarHBondContact O-N 3.31Å; I145-L149 HydrophobicContact CG2-CD1 3.99Å; I145-L149 PolarHBondContact O-N 2.64Å; I145-M185 HydrophobicContact CD1-CB 4.25Å; I145-M185 HydrophobicContact CD1-CE 3.73Å; I145-L188 HydrophobicContact CD1-CD2 3.85Å; I145-L188 HydrophobicContact CD1-CG 4.36Å; I145-L188 HydrophobicContact CG1-CD2 4.48Å; I145-L188 HydrophobicContact CG2-CD2 4.17Å; I145-L188 HydrophobicContact CG2-CG 4.5Å; I145-L189 HydrophobicContact CB-CD2 4.19Å; I145-L189 HydrophobicContact CG1-CD1 4.41Å; I145-L189 HydrophobicContact CG1-CD2 3.44Å; I145-L189 VanDerWaalsContact CG1-CD2 3.44Å; I145-L189 HydrophobicContact CG1-CG 3.75Å; I145-L192 HydrophobicContact CG2-CD1 3.96Å
146S83.9Confident86.7Confident61 Ų6139.9 Ų39.943%0.42720%0.201SC..Hα-helixtrans-62.9-37.2-178.7-61.70000112.1E142 V144 N150E142-S146 WeakPolarHBondContact O-CB 3.37Å; E142-S146 PolarHBondContact O-N 2.89Å; E142-S146 PolarHBondContact O-OG 3.42Å; V144-S146 PolarHBondContact O-N 3.38Å; S146-N150 PolarHBondContact O-N 3.07Å; S146-N150 PolarHBondContact O-ND2 3.28Å
147S83.7Confident86.6Confident8 Ų848.2 Ų48.26%0.05623%0.231CC..Hα-helixtrans-65.2-48.1175.2-59.10000110.7C143 V144 I145 L149 N150 V151C143-S147 VanDerWaalsContact O-CB 3.29Å; C143-S147 WeakPolarHBondContact O-CB 3.5Å; C143-S147 PolarHBondContact O-N 3.06Å; C143-S147 PolarHBondContact O-OG 2.94Å; V144-S147 PolarHBondContact O-N 3.22Å; I145-S147 VanDerWaalsContact C-N 3.3Å; I145-S147 PolarHBondContact O-N 3.18Å; S147-L149 PolarHBondContact O-N 3.31Å; S147-N150 PolarHBondContact O-N 3.42Å; S147-N150 VanDerWaalsContact O-N 3.11Å; S147-V151 WeakPolarHBondContact O-CG2 3.49Å; S147-V151 PolarHBondContact O-N 3.3Å
148L87.8Confident86.6Confident0 Ų049.1 Ų49.10%024%0.237CC..Hα-helixtrans-68.5-30.2-179.1-74.4169.1000113.5F124 V144 I145 N150 G152 L155 L166 F170 L189 W197F124-L148 HydrophobicContact CD2-CD2 4.24Å; F124-L148 HydrophobicContact CD2-CG 4.45Å; F124-L148 HydrophobicContact CE2-CD1 4.34Å; F124-L148 HydrophobicContact CE2-CD2 3.65Å; F124-L148 HydrophobicContact CE2-CG 3.8Å; F124-L148 HydrophobicContact CZ-CD2 4.47Å; F124-L148 HydrophobicContact CZ-CG 4.23Å; V144-L148 HydrophobicContact CG1-CD1 3.8Å; V144-L148 WeakPolarHBondContact O-CB 3.42Å; V144-L148 WeakPolarHBondContact O-CG 3.37Å; V144-L148 PolarHBondContact O-N 3.33Å; I145-L148 PolarHBondContact O-N 3.31Å; L148-N150 VanDerWaalsContact C-N 3.27Å; L148-N150 PolarHBondContact O-N 3.4Å; L148-G152 WeakPolarHBondContact O-CA 3.49Å; L148-G152 PolarHBondContact O-N 2.92Å; L148-L155 HydrophobicContact CD2-CD1 4.42Å; L148-L166 HydrophobicContact CD2-CD2 4.26Å; L148-F170 HydrophobicContact CD1-CE1 4.35Å; L148-F170 HydrophobicContact CD1-CE2 4.47Å; L148-F170 HydrophobicContact CD1-CZ 3.63Å; L148-L189 HydrophobicContact CD1-CD2 3.69Å; L148-W197 HydrophobicContact CB-CE3 4.01Å; L148-W197 HydrophobicContact CB-CH2 4.49Å; L148-W197 HydrophobicContact CB-CZ3 3.64Å; L148-W197 HydrophobicContact CD1-CH2 4.47Å; L148-W197 HydrophobicContact CD1-CZ3 4.09Å; L148-W197 HydrophobicContact CD2-CH2 3.88Å; L148-W197 HydrophobicContact CD2-CZ3 3.88Å; L148-W197 HydrophobicContact CG-CZ3 4.08Å
149L86.5Confident86.7Confident69 Ų6946.7 Ų46.736%0.36122%0.223SC..Hα-helixtrans-61.2-37.3169.7-83.9167.8000112.4I145 S147 L192I145-L149 HydrophobicContact CG2-CD1 3.99Å; I145-L149 PolarHBondContact O-N 2.64Å; S147-L149 PolarHBondContact O-N 3.31Å; L149-L192 HydrophobicContact CD2-CD1 4.3Å; L149-L192 HydrophobicContact CD2-CD2 3.46Å; L149-L192 VanDerWaalsContact CD2-CD2 3.46Å; L149-L192 HydrophobicContact CG-CD1 4.2Å; L149-L192 HydrophobicContact CG-CD2 4.25Å
150N81.9Confident87.2Confident112 Ų11245.6 Ų45.660%0.59922%0.224SC*.Hα-helixtrans-82.4-37.9-177.6-73.8-51.8000113.3C102 S146 S147 L148C102-N150 HydrophobicContact CB-CB 4.2Å; C102-N150 WeakPolarHBondContact SG-CB 3.32Å; S146-N150 PolarHBondContact O-N 3.07Å; S146-N150 PolarHBondContact O-ND2 3.28Å; S147-N150 PolarHBondContact O-N 3.42Å; S147-N150 VanDerWaalsContact O-N 3.11Å; L148-N150 VanDerWaalsContact C-N 3.27Å; L148-N150 PolarHBondContact O-N 3.4Å
151V82.2Confident87.6Confident2 Ų251.5 Ų51.51%0.01226%0.255CS..Hα-helixtrans-119.2-9.1-173.6-65.30000115.3L101 C102 S147 Y153 S154 L155L101-V151 HydrophobicContact CB-CG1 4.16Å; L101-V151 HydrophobicContact CB-CG2 4.44Å; L101-V151 HydrophobicContact CD1-CG2 4.21Å; C102-V151 HydrophobicContact CB-CG1 4.01Å; S147-V151 WeakPolarHBondContact O-CG2 3.49Å; S147-V151 PolarHBondContact O-N 3.3Å; V151-Y153 VanDerWaalsContact C-N 3.35Å; V151-Y153 PolarHBondContact O-N 2.93Å; V151-S154 PolarHBondContact O-N 3.45Å; V151-L155 HydrophobicContact CB-CD1 4.33Å; V151-L155 HydrophobicContact CB-CG 4.3Å; V151-L155 HydrophobicContact CG2-CD1 3.68Å; V151-L155 HydrophobicContact CG2-CG 4.18Å; V151-L155 WeakPolarHBondContact O-CG 3.48Å; V151-L155 PolarHBondContact O-N 2.91Å
152G89.1Confident87.9Confident0 Ų055 Ų550%027%0.268CS..Hα-helixtrans-57.2-45.1-171.700000113L148 S154 L155 E156 W197L148-G152 WeakPolarHBondContact O-CA 3.49Å; L148-G152 PolarHBondContact O-N 2.92Å; G152-S154 VanDerWaalsContact C-N 3.26Å; G152-S154 PolarHBondContact O-N 2.87Å; G152-L155 PolarHBondContact O-N 2.96Å; G152-E156 WeakPolarHBondContact O-CB 3.22Å; G152-E156 PolarHBondContact O-N 3.46Å; G152-W197 VanDerWaalsContact C-CE2 3.43Å; G152-W197 VanDerWaalsContact C-CG 3.5Å; G152-W197 VanDerWaalsContact CA-CD2 3.49Å; G152-W197 PolarHBondContact O-NE1 3.26Å; G152-W197 VanDerWaalsContact O-NE1 3.16Å
153Y89.3Confident88.2Confident128 Ų12850.4 Ų50.450%0.50225%0.247SC..Hα-helixtrans-59.2-41.4177.5179.1-98.2000111.9V151 R157 W197V151-Y153 VanDerWaalsContact C-N 3.35Å; V151-Y153 PolarHBondContact O-N 2.93Å; Y153-R157 PolarHBondContact O-N 2.94Å; Y153-W197 VanDerWaalsContact N-CG 3.32Å
154S85.5Confident88.8Confident37 Ų3752.8 Ų52.826%0.25926%0.261SS..Hα-helixtrans-73.3-42.7-177.8-380000110.3Y105 V151 G152 E156 R157 Q158Y105-S154 VanDerWaalsContact CE1-C 3.49Å; Y105-S154 WeakPolarHBondContact CE1-O 3.27Å; Y105-S154 VanDerWaalsContact CZ-C 3.42Å; Y105-S154 PolarHBondContact OH-O 3.1Å; V151-S154 PolarHBondContact O-N 3.45Å; G152-S154 VanDerWaalsContact C-N 3.26Å; G152-S154 PolarHBondContact O-N 2.87Å; S154-E156 VanDerWaalsContact C-N 3.33Å; S154-E156 PolarHBondContact O-N 3.32Å; S154-R157 PolarHBondContact O-N 3.06Å; S154-Q158 PolarHBondContact O-N 3.3Å
155L87.2Confident89.2Confident0 Ų057.4 Ų57.40%029%0.286CS..Hα-helixtrans-58.9-40.9174.1-74175.4000112Y105 A117 F121 L148 V151 G152 R157 Q158 Y159 L163Y105-L155 HydrophobicContact CE2-CD2 3.86Å; Y105-L155 HydrophobicContact CE2-CG 4.45Å; Y105-L155 VanDerWaalsContact OH-CA 3.32Å; Y105-L155 WeakPolarHBondContact OH-CA 3.25Å; Y105-L155 PolarHBondContact OH-N 3.49Å; A117-L155 HydrophobicContact CB-CD2 4.49Å; F121-L155 HydrophobicContact CE2-CD2 4.12Å; F121-L155 HydrophobicContact CZ-CD2 4.46Å; L148-L155 HydrophobicContact CD2-CD1 4.42Å; V151-L155 HydrophobicContact CB-CD1 4.33Å; V151-L155 HydrophobicContact CB-CG 4.3Å; V151-L155 HydrophobicContact CG2-CD1 3.68Å; V151-L155 HydrophobicContact CG2-CG 4.18Å; V151-L155 WeakPolarHBondContact O-CG 3.48Å; V151-L155 PolarHBondContact O-N 2.91Å; G152-L155 PolarHBondContact O-N 2.96Å; L155-R157 VanDerWaalsContact C-N 3.28Å; L155-R157 PolarHBondContact O-N 3.24Å; L155-Q158 PolarHBondContact O-N 3.24Å; L155-Y159 HydrophobicContact CD2-CD2 3.95Å; L155-Y159 HydrophobicContact CD2-CE2 4.29Å; L155-Y159 WeakPolarHBondContact O-CA 3.44Å; L155-Y159 PolarHBondContact O-N 3.09Å; L155-L163 HydrophobicContact CB-CD1 4.33Å
156E91.2Very high89.6Confident47 Ų4757 Ų5722%0.2228%0.284CS..Hα-helixtrans-57.6-42.6176.9-174.5152.3-154.500112.3G152 S154 P160 L163 R167 W197G152-E156 WeakPolarHBondContact O-CB 3.22Å; G152-E156 PolarHBondContact O-N 3.46Å; S154-E156 VanDerWaalsContact C-N 3.33Å; S154-E156 PolarHBondContact O-N 3.32Å; E156-P160 WeakPolarHBondContact O-CA 3.18Å; E156-L163 VanDerWaalsContact CA-CD2 3.47Å; E156-L163 HydrophobicContact CB-CD2 3.37Å; E156-L163 HydrophobicContact CG-CD2 3.57Å; E156-R167 VanDerWaalsContact CD-NH2 3.28Å; E156-R167 IonicContact OE1-CZ 2.66Å; E156-R167 VanDerWaalsContact OE1-CZ 3.27Å; E156-R167 IonicContact OE1-NH1 3.66Å; E156-R167 PolarHBondContact OE1-NH1 2.88Å; E156-R167 IonicContact OE1-NH2 3.57Å; E156-R167 PolarHBondContact OE1-NH2 3.3Å; E156-R167 IonicContact OE2-NH2 3.91Å; E156-R167 PolarHBondContact OE2-NH2 3.12Å; E156-W197 PolarHBondContact OE2-NE1 2.85Å
157R89.6Confident90.2Very high184 Ų18456.2 Ų56.269%0.69427%0.271SS*.Hα-helixtrans-72.4-34.1-178-69.7-178.864.2-173.9-0.9113.4Y153 S154 L155Y153-R157 PolarHBondContact O-N 2.94Å; S154-R157 PolarHBondContact O-N 3.06Å; L155-R157 VanDerWaalsContact C-N 3.28Å; L155-R157 PolarHBondContact O-N 3.24Å
158Q87.5Confident90.8Very high91 Ų9159.1 Ų59.143%0.42529%0.287SS..Hα-helixtrans-94.4-27.6-177.5-59.6-175.218.300113.5Y105 S154 L155 P160Y105-Q158 VanDerWaalsContact CE1-CD 3.45Å; Y105-Q158 HydrophobicContact CE1-CG 4.07Å; Y105-Q158 WeakPolarHBondContact OH-CB 3.47Å; Y105-Q158 WeakPolarHBondContact OH-CG 3.43Å; Y105-Q158 PolarHBondContact OH-NE2 2.97Å; Y105-Q158 PolarHBondContact OH-OE1 3.05Å; S154-Q158 PolarHBondContact O-N 3.3Å; L155-Q158 PolarHBondContact O-N 3.24Å; Q158-P160 VanDerWaalsContact C-CD 3.49Å
159Y90.8Very high91.3Very high37 Ų3760.2 Ų60.215%0.14529%0.293CS..  trans-133.857.5-175.5-51.3-66.8000111.8Y105 K114 A117 F121 L155 D161 R162 L163Y105-Y159 HydrophobicContact CE2-CE2 4.42Å; K114-Y159 WeakPolarHBondContact CA-OH 3.46Å; A117-Y159 HydrophobicContact CB-CD2 4.19Å; A117-Y159 HydrophobicContact CB-CE2 3.55Å; F121-Y159 HydrophobicContact CE2-CD2 4.19Å; F121-Y159 HydrophobicContact CE2-CG 4.35Å; L155-Y159 HydrophobicContact CD2-CD2 3.95Å; L155-Y159 HydrophobicContact CD2-CE2 4.29Å; L155-Y159 WeakPolarHBondContact O-CA 3.44Å; L155-Y159 PolarHBondContact O-N 3.09Å; Y159-D161 VanDerWaalsContact C-N 3.32Å; Y159-D161 PolarHBondContact O-N 3.35Å; Y159-R162 PolarHBondContact O-N 2.88Å; Y159-L163 WeakPolarHBondContact O-CB 3.39Å; Y159-L163 PolarHBondContact O-N 3.38Å
160P93.5Very high91.9Very high64 Ų6457 Ų5742%0.41628%0.276SS..Hα-helixtrans-58.5-40.3-174.123.5-34.3000113.1E156 Q158 L163 T164E156-P160 WeakPolarHBondContact O-CA 3.18Å; Q158-P160 VanDerWaalsContact C-CD 3.49Å; P160-L163 PolarHBondContact O-N 3.33Å; P160-T164 WeakPolarHBondContact O-CB 3.34Å; P160-T164 PolarHBondContact O-N 2.89Å; P160-T164 PolarHBondContact O-OG1 2.94Å
161D95.5Very high92.6Very high124 Ų12457.5 Ų57.566%0.66327%0.27SS*.Hα-helixtrans-66.2-46.6180-57.9-31.8000111.5Y159 L163 T164 D165Y159-D161 VanDerWaalsContact C-N 3.32Å; Y159-D161 PolarHBondContact O-N 3.35Å; D161-L163 VanDerWaalsContact C-N 3.28Å; D161-L163 PolarHBondContact O-N 2.78Å; D161-T164 WeakPolarHBondContact O-CA 3.06Å; D161-T164 VanDerWaalsContact O-CB 3.27Å; D161-T164 WeakPolarHBondContact O-CB 3.29Å; D161-T164 PolarHBondContact O-N 3.16Å; D161-D165 PolarHBondContact O-N 3.31Å
162R94.1Very high93.4Very high73 Ų7361.7 Ų61.728%0.27529%0.292SS..Hα-helixtrans-65.4-34.6179-58.4-170.771.1-166.16.2112.3S118 F121 Y159 T164 D165 L166S118-R162 VanDerWaalsContact CA-NH1 3.3Å; F121-R162 HydrophobicContact CD1-CB 4.24Å; F121-R162 HydrophobicContact CD2-CB 4.32Å; F121-R162 VanDerWaalsContact CD2-NH1 3.28Å; F121-R162 HydrophobicContact CE1-CB 3.89Å; F121-R162 WeakPolarHBondContact CE1-O 3.46Å; F121-R162 HydrophobicContact CE2-CB 3.98Å; F121-R162 HydrophobicContact CG-CB 4.45Å; F121-R162 HydrophobicContact CZ-CB 3.75Å; Y159-R162 PolarHBondContact O-N 2.88Å; R162-T164 VanDerWaalsContact C-N 3.32Å; R162-D165 PolarHBondContact O-N 3.4Å; R162-L166 WeakPolarHBondContact O-CB 3.46Å; R162-L166 PolarHBondContact O-N 2.82Å
163L93.7Very high93.8Very high0 Ų061.7 Ų61.70%029%0.292CS..Hα-helixtrans-70.3-33.1174.4-161.580.1000111.5F121 L155 E156 Y159 P160 D161 L166 R167 W197F121-L163 HydrophobicContact CE1-CD1 4.18Å; F121-L163 HydrophobicContact CZ-CD1 4.28Å; L155-L163 HydrophobicContact CB-CD1 4.33Å; E156-L163 VanDerWaalsContact CA-CD2 3.47Å; E156-L163 HydrophobicContact CB-CD2 3.37Å; E156-L163 HydrophobicContact CG-CD2 3.57Å; Y159-L163 WeakPolarHBondContact O-CB 3.39Å; Y159-L163 PolarHBondContact O-N 3.38Å; P160-L163 PolarHBondContact O-N 3.33Å; D161-L163 VanDerWaalsContact C-N 3.28Å; D161-L163 PolarHBondContact O-N 2.78Å; L163-L166 HydrophobicContact CD1-CD2 4.27Å; L163-L166 PolarHBondContact O-N 3.35Å; L163-R167 WeakPolarHBondContact O-CG 3.34Å; L163-R167 PolarHBondContact O-N 2.94Å; L163-W197 HydrophobicContact CD1-CH2 4.12Å; L163-W197 HydrophobicContact CD1-CZ2 3.7Å; L163-W197 HydrophobicContact CD2-CZ2 3.53Å; L163-W197 HydrophobicContact CG-CZ2 3.97Å
164T95.8Very high94.2Very high63 Ų6359.3 Ų59.339%0.38728%0.284SS..Hα-helixtrans-63.3-43.4172.1-60.40000111P160 D161 R162 L166 R167 N168P160-T164 WeakPolarHBondContact O-CB 3.34Å; P160-T164 PolarHBondContact O-N 2.89Å; P160-T164 PolarHBondContact O-OG1 2.94Å; D161-T164 WeakPolarHBondContact O-CA 3.06Å; D161-T164 VanDerWaalsContact O-CB 3.27Å; D161-T164 WeakPolarHBondContact O-CB 3.29Å; D161-T164 PolarHBondContact O-N 3.16Å; R162-T164 VanDerWaalsContact C-N 3.32Å; T164-L166 VanDerWaalsContact C-N 3.35Å; T164-L166 PolarHBondContact O-N 3.38Å; T164-R167 WeakPolarHBondContact O-CB 3.46Å; T164-R167 PolarHBondContact O-N 3.3Å; T164-N168 PolarHBondContact O-N 3.37Å; T164-N168 PolarHBondContact O-ND2 3.09Å
165D96.7Very high94.8Very high97 Ų9764 Ų6452%0.51931%0.305SS..Hα-helixtrans-62.7-41.2173.2-65.2-27.1000112.2D161 R162 R167 N168 T169D161-D165 PolarHBondContact O-N 3.31Å; R162-D165 PolarHBondContact O-N 3.4Å; D165-R167 VanDerWaalsContact C-N 3.34Å; D165-R167 PolarHBondContact O-N 2.88Å; D165-N168 WeakPolarHBondContact O-CB 3.24Å; D165-N168 PolarHBondContact O-N 3.3Å; D165-T169 PolarHBondContact O-N 3.43Å; D165-T169 PolarHBondContact O-OG1 3.04Å; D165-T169 VanDerWaalsContact O-OG1 3.14Å
166L95.9Very high95.3Very high0 Ų068.4 Ų68.40%033%0.326CS..Hα-helixtrans-63.9-38.9176-175.164.4000111.7F121 F124 N125 L128 L148 R162 L163 T164 N168 T169 F170F121-L166 HydrophobicContact CD1-CB 4.18Å; F121-L166 HydrophobicContact CD1-CD2 4.03Å; F121-L166 HydrophobicContact CE1-CB 4.08Å; F121-L166 HydrophobicContact CE1-CD2 3.89Å; F124-L166 HydrophobicContact CB-CD1 3.75Å; F124-L166 HydrophobicContact CD2-CD2 3.86Å; N125-L166 WeakPolarHBondContact OD1-CD1 3.47Å; L128-L166 HydrophobicContact CD1-CD1 4.48Å; L148-L166 HydrophobicContact CD2-CD2 4.26Å; R162-L166 WeakPolarHBondContact O-CB 3.46Å; R162-L166 PolarHBondContact O-N 2.82Å; L163-L166 HydrophobicContact CD1-CD2 4.27Å; L163-L166 PolarHBondContact O-N 3.35Å; T164-L166 VanDerWaalsContact C-N 3.35Å; T164-L166 PolarHBondContact O-N 3.38Å; L166-N168 VanDerWaalsContact C-N 3.31Å; L166-N168 PolarHBondContact O-N 3.31Å; L166-T169 CarbonylContact O-C 3.6Å; L166-T169 WeakPolarHBondContact O-CA 3.43Å; L166-T169 VanDerWaalsContact O-CB 3.26Å; L166-T169 WeakPolarHBondContact O-CB 3.37Å; L166-T169 PolarHBondContact O-N 3.26Å; L166-T169 VanDerWaalsContact O-N 3.1Å; L166-F170 HydrophobicContact CD1-CD1 4.45Å; L166-F170 HydrophobicContact CD1-CE1 3.7Å; L166-F170 HydrophobicContact CD1-CZ 4.22Å; L166-F170 HydrophobicContact CD2-CE1 4.09Å; L166-F170 HydrophobicContact CD2-CZ 3.74Å; L166-F170 HydrophobicContact CG-CD1 4.37Å; L166-F170 HydrophobicContact CG-CE1 3.53Å; L166-F170 HydrophobicContact CG-CE2 4.4Å; L166-F170 HydrophobicContact CG-CZ 3.55Å; L166-F170 VanDerWaalsContact O-CD1 3.27Å; L166-F170 WeakPolarHBondContact O-CD1 3.22Å; L166-F170 WeakPolarHBondContact O-CG 3.35Å; L166-F170 PolarHBondContact O-N 3.34Å
167R96.7Very high95.5Very high44 Ų4466.6 Ų66.617%0.16632%0.319CS..Hα-helixtrans-62.5-37.4172.9-75.8168.8167.2147.41.3112.2E156 L163 T164 D165 T169 F170 R171 S193E156-R167 VanDerWaalsContact CD-NH2 3.28Å; E156-R167 IonicContact OE1-CZ 2.66Å; E156-R167 VanDerWaalsContact OE1-CZ 3.27Å; E156-R167 IonicContact OE1-NH1 3.66Å; E156-R167 PolarHBondContact OE1-NH1 2.88Å; E156-R167 IonicContact OE1-NH2 3.57Å; E156-R167 PolarHBondContact OE1-NH2 3.3Å; E156-R167 IonicContact OE2-NH2 3.91Å; E156-R167 PolarHBondContact OE2-NH2 3.12Å; L163-R167 WeakPolarHBondContact O-CG 3.34Å; L163-R167 PolarHBondContact O-N 2.94Å; T164-R167 WeakPolarHBondContact O-CB 3.46Å; T164-R167 PolarHBondContact O-N 3.3Å; D165-R167 VanDerWaalsContact C-N 3.34Å; D165-R167 PolarHBondContact O-N 2.88Å; R167-T169 VanDerWaalsContact C-N 3.3Å; R167-F170 WeakPolarHBondContact O-CB 3.3Å; R167-F170 PolarHBondContact O-N 3Å; R167-R171 WeakPolarHBondContact O-CG 3.47Å; R167-R171 PolarHBondContact O-N 3.33Å; R167-R171 VanDerWaalsContact O-N 3.15Å; R167-S193 PolarHBondContact NH2-O 2.66Å
168N97.5Very high95.7Very high70 Ų7064.5 Ų64.537%0.37432%0.315SS..Hα-helixtrans-65.2-38.2172.8-68-25.7000111.2T164 D165 L166 R171 N172T164-N168 PolarHBondContact O-N 3.37Å; T164-N168 PolarHBondContact O-ND2 3.09Å; D165-N168 WeakPolarHBondContact O-CB 3.24Å; D165-N168 PolarHBondContact O-N 3.3Å; L166-N168 VanDerWaalsContact C-N 3.31Å; L166-N168 PolarHBondContact O-N 3.31Å; N168-R171 PolarHBondContact O-N 3Å; N168-R171 PolarHBondContact OD1-NH1 3.04Å; N168-N172 VanDerWaalsContact O-CG 3.25Å; N168-N172 PolarHBondContact O-N 3.22Å; N168-N172 PolarHBondContact O-ND2 3.18Å
169T97.8Very high96.1Very high22 Ų2265.2 Ų65.214%0.13532%0.318CS..Hα-helixtrans-59.1-47.2171.9-55.20000110.7N125 L128 D165 L166 R167 R171 N172 S173N125-T169 PolarHBondContact OD1-OG1 3.32Å; L128-T169 HydrophobicContact CB-CG2 3.82Å; D165-T169 PolarHBondContact O-N 3.43Å; D165-T169 PolarHBondContact O-OG1 3.04Å; D165-T169 VanDerWaalsContact O-OG1 3.14Å; L166-T169 CarbonylContact O-C 3.6Å; L166-T169 WeakPolarHBondContact O-CA 3.43Å; L166-T169 VanDerWaalsContact O-CB 3.26Å; L166-T169 WeakPolarHBondContact O-CB 3.37Å; L166-T169 PolarHBondContact O-N 3.26Å; L166-T169 VanDerWaalsContact O-N 3.1Å; R167-T169 VanDerWaalsContact C-N 3.3Å; T169-R171 VanDerWaalsContact C-N 3.31Å; T169-R171 PolarHBondContact O-N 3.12Å; T169-N172 WeakPolarHBondContact O-CB 3.22Å; T169-N172 PolarHBondContact O-N 3.31Å; T169-N172 VanDerWaalsContact O-N 3.09Å; T169-S173 PolarHBondContact O-N 3.04Å; T169-S173 PolarHBondContact O-OG 2.93Å
170F97.9Very high96.3Very high1 Ų167.3 Ų67.30%0.00434%0.336CS..Hα-helixtrans-55.4-44.4176.6-57.1-17.6000112.8L128 L148 L166 R167 S173 F174 I186 L189 I190 W197L128-F170 HydrophobicContact CD1-CD1 3.61Å; L128-F170 HydrophobicContact CD1-CE1 3.43Å; L128-F170 VanDerWaalsContact CD1-CE1 3.43Å; L148-F170 HydrophobicContact CD1-CE1 4.35Å; L148-F170 HydrophobicContact CD1-CE2 4.47Å; L148-F170 HydrophobicContact CD1-CZ 3.63Å; L166-F170 HydrophobicContact CD1-CD1 4.45Å; L166-F170 HydrophobicContact CD1-CE1 3.7Å; L166-F170 HydrophobicContact CD1-CZ 4.22Å; L166-F170 HydrophobicContact CD2-CE1 4.09Å; L166-F170 HydrophobicContact CD2-CZ 3.74Å; L166-F170 HydrophobicContact CG-CD1 4.37Å; L166-F170 HydrophobicContact CG-CE1 3.53Å; L166-F170 HydrophobicContact CG-CE2 4.4Å; L166-F170 HydrophobicContact CG-CZ 3.55Å; L166-F170 VanDerWaalsContact O-CD1 3.27Å; L166-F170 WeakPolarHBondContact O-CD1 3.22Å; L166-F170 WeakPolarHBondContact O-CG 3.35Å; L166-F170 PolarHBondContact O-N 3.34Å; R167-F170 WeakPolarHBondContact O-CB 3.3Å; R167-F170 PolarHBondContact O-N 3Å; F170-S173 PolarHBondContact O-N 3.12Å; F170-F174 WeakPolarHBondContact O-CB 3.31Å; F170-F174 PolarHBondContact O-N 3.31Å; F170-I186 VanDerWaalsContact O-CG2 3.22Å; F170-I186 WeakPolarHBondContact O-CG2 3.45Å; F170-L189 HydrophobicContact CD1-CD1 4.39Å; F170-L189 HydrophobicContact CD2-CB 4.18Å; F170-L189 HydrophobicContact CE1-CD1 4.28Å; F170-L189 HydrophobicContact CE2-CB 4.29Å; F170-L189 HydrophobicContact CG-CB 4.36Å; F170-I190 HydrophobicContact CB-CG1 3.86Å; F170-W197 HydrophobicContact CE2-CH2 4.38Å
171R98Very high96.4Very high123 Ų12368.1 Ų68.146%0.46433%0.331SS..Hα-helixtrans-62.3-44.1177.2-67.6176.8-176.1105.83.9111.5R167 N168 T169 F174 I175R167-R171 WeakPolarHBondContact O-CG 3.47Å; R167-R171 PolarHBondContact O-N 3.33Å; R167-R171 VanDerWaalsContact O-N 3.15Å; N168-R171 PolarHBondContact O-N 3Å; N168-R171 PolarHBondContact OD1-NH1 3.04Å; T169-R171 VanDerWaalsContact C-N 3.31Å; T169-R171 PolarHBondContact O-N 3.12Å; R171-F174 WeakPolarHBondContact O-CB 3.49Å; R171-F174 PolarHBondContact O-N 3.39Å; R171-I175 WeakPolarHBondContact O-CG1 3.49Å; R171-I175 PolarHBondContact O-N 3.43Å
172N98.2Very high96.5Very high90 Ų9062.5 Ų62.548%0.48130%0.301SS..Hα-helixtrans-64.3-43.9176.9-66.6-18.6000111.4N168 T169 F174 I175 Q176N168-N172 VanDerWaalsContact O-CG 3.25Å; N168-N172 PolarHBondContact O-N 3.22Å; N168-N172 PolarHBondContact O-ND2 3.18Å; T169-N172 WeakPolarHBondContact O-CB 3.22Å; T169-N172 PolarHBondContact O-N 3.31Å; T169-N172 VanDerWaalsContact O-N 3.09Å; N172-F174 VanDerWaalsContact C-N 3.29Å; N172-F174 PolarHBondContact O-N 2.58Å; N172-I175 PolarHBondContact O-N 2.68Å; N172-Q176 WeakPolarHBondContact O-CB 3.22Å; N172-Q176 VanDerWaalsContact O-CG 3.31Å; N172-Q176 WeakPolarHBondContact O-CG 3.32Å; N172-Q176 PolarHBondContact O-N 2.87Å
173S98.1Very high96.6Very high0 Ų064.1 Ų64.10%031%0.307CS..Hα-helixtrans-60.4-39.6176.2-44.90000111.6L128 T169 F170 I175 Q176 A177L128-S173 WeakPolarHBondContact O-CB 3.44Å; L128-S173 PolarHBondContact O-OG 3.16Å; T169-S173 PolarHBondContact O-N 3.04Å; T169-S173 PolarHBondContact O-OG 2.93Å; F170-S173 PolarHBondContact O-N 3.12Å; S173-I175 VanDerWaalsContact C-N 3.34Å; S173-I175 PolarHBondContact O-N 3.37Å; S173-Q176 PolarHBondContact O-N 2.92Å; S173-A177 WeakPolarHBondContact O-CB 3.4Å; S173-A177 PolarHBondContact O-N 2.82Å
174F98.1Very high96.7Very high78 Ų7867.9 Ų67.934%0.34232%0.324SS..Hα-helixtrans-62.1-42.8178.2-178.8-99.1000111.6F170 R171 N172 Q176 R183 I186 L187 I190F170-F174 WeakPolarHBondContact O-CB 3.31Å; F170-F174 PolarHBondContact O-N 3.31Å; R171-F174 WeakPolarHBondContact O-CB 3.49Å; R171-F174 PolarHBondContact O-N 3.39Å; N172-F174 VanDerWaalsContact C-N 3.29Å; N172-F174 PolarHBondContact O-N 2.58Å; F174-Q176 VanDerWaalsContact C-N 3.35Å; F174-R183 HydrophobicContact CE2-CB 4.29Å; F174-I186 HydrophobicContact CB-CG2 3.74Å; F174-I186 HydrophobicContact CD2-CG2 4.43Å; F174-L187 HydrophobicContact CD2-CB 4.39Å; F174-L187 HydrophobicContact CE2-CB 4.09Å; F174-L187 HydrophobicContact CE2-CD1 4.12Å; F174-I190 HydrophobicContact CB-CD1 3.99Å; F174-I190 HydrophobicContact CD2-CD1 4.49Å; F174-I190 HydrophobicContact CG-CD1 4.26Å
175I97.4Very high96.7Very high137 Ų13766.1 Ų66.170%0.70331%0.311SS*.Hα-helixtrans-66.2-38.4176.7-65.1165.7000111R171 N172 S173R171-I175 WeakPolarHBondContact O-CG1 3.49Å; R171-I175 PolarHBondContact O-N 3.43Å; N172-I175 PolarHBondContact O-N 2.68Å; S173-I175 VanDerWaalsContact C-N 3.34Å; S173-I175 PolarHBondContact O-N 3.37Å
176Q96.5Very high96.8Very high92 Ų9261.5 Ų61.543%0.4329%0.287SS..Hα-helixtrans-82.1-21.9-176.5-70.1176.3-0.900114.1L133 N172 S173 F174 K178L133-Q176 HydrophobicContact CD2-CB 3.86Å; N172-Q176 WeakPolarHBondContact O-CB 3.22Å; N172-Q176 VanDerWaalsContact O-CG 3.31Å; N172-Q176 WeakPolarHBondContact O-CG 3.32Å; N172-Q176 PolarHBondContact O-N 2.87Å; S173-Q176 PolarHBondContact O-N 2.92Å; F174-Q176 VanDerWaalsContact C-N 3.35Å; Q176-K178 PolarHBondContact O-N 2.93Å
177A96.6Very high96.8Very high9 Ų964 Ų647%0.07430%0.3CS..  trans-66.7116.6-174.600000112S173 V182 R183S173-A177 WeakPolarHBondContact O-CB 3.4Å; S173-A177 PolarHBondContact O-N 2.82Å; A177-V182 HydrophobicContact CB-CB 4.12Å; A177-V182 HydrophobicContact CB-CG1 3.63Å; A177-R183 HydrophobicContact CB-CB 4.49Å; A177-R183 HydrophobicContact CB-CG 3.51Å; A177-R183 VanDerWaalsContact O-CD 3.29Å; A177-R183 WeakPolarHBondContact O-CD 3.39Å; A177-R183 WeakPolarHBondContact O-CG 3.26Å; A177-R183 PolarHBondContact O-NE 3.31Å
178K93.6Very high96.8Very high139 Ų13962.4 Ų62.460%0.60429%0.294SS*.  trans-78.1-49.3-179.9-62175.9-171.9162.60111.1E134 Q176 R183E134-K178 WeakPolarHBondContact OE1-CE 3.28Å; E134-K178 IonicContact OE1-NZ 3.43Å; E134-K178 PolarHBondContact OE1-NZ 3.14Å; Q176-K178 PolarHBondContact O-N 2.93Å; K178-R183 PolarHBondContact O-NH2 3.4Å
179E95.7Very high96.7Very high106 Ų10659 Ų5950%0.49528%0.277SS..SBendtrans-70.4132.8-176.9-67.7-56.8140.700112.6W181 V182 R183E179-W181 VanDerWaalsContact C-N 3.28Å; E179-W181 HydrophobicContact CB-CG 4.41Å; E179-W181 PolarHBondContact O-N 3.32Å; E179-V182 HydrophobicContact CB-CB 4.19Å; E179-V182 HydrophobicContact CB-CG2 3.78Å; E179-V182 PolarHBondContact O-N 3.08Å; E179-R183 PolarHBondContact O-N 3.33Å
180P95.5Very high96.6Very high81 Ų8159.9 Ų59.953%0.52628%0.28SS..Hα-helixtrans-57.9-37.5178-25.434.1000113.6R183 K184P180-R183 PolarHBondContact O-N 3.41Å; P180-K184 WeakPolarHBondContact O-CB 3.5Å; P180-K184 PolarHBondContact O-N 3.32Å
181W95.3Very high96.5Very high82 Ų8263 Ų6331%0.31129%0.294SS..Hα-helixtrans-68-38.3179.872.7-96.5000111.7I136 M138 E179 K184 M185I136-W181 HydrophobicContact CG2-CH2 4.1Å; I136-W181 WeakPolarHBondContact O-CH2 3.44Å; M138-W181 HydrophobicContact CB-CH2 4.37Å; M138-W181 HydrophobicContact CB-CZ3 4.1Å; M138-W181 HydrophobicContact CE-CD2 4.4Å; M138-W181 HydrophobicContact CE-CE3 4.06Å; E179-W181 VanDerWaalsContact C-N 3.28Å; E179-W181 HydrophobicContact CB-CG 4.41Å; E179-W181 PolarHBondContact O-N 3.32Å; W181-K184 PolarHBondContact O-N 2.9Å; W181-M185 HydrophobicContact CE3-SD 3.66Å; W181-M185 HydrophobicContact CZ3-SD 3.72Å; W181-M185 WeakPolarHBondContact O-CG 3.37Å; W181-M185 PolarHBondContact O-N 2.87Å
182V96.8Very high96.4Very high6 Ų657.1 Ų57.14%0.03627%0.272CS..Hα-helixtrans-63.8-48.9173.7179.50000109.4L133 I136 L141 A177 E179 K184 M185 I186L133-V182 HydrophobicContact CD1-CG1 4.07Å; I136-V182 HydrophobicContact CG2-CG1 4.13Å; I136-V182 HydrophobicContact CG2-CG2 3.84Å; L141-V182 HydrophobicContact CD2-CG1 4.39Å; A177-V182 HydrophobicContact CB-CB 4.12Å; A177-V182 HydrophobicContact CB-CG1 3.63Å; E179-V182 HydrophobicContact CB-CB 4.19Å; E179-V182 HydrophobicContact CB-CG2 3.78Å; E179-V182 PolarHBondContact O-N 3.08Å; V182-K184 VanDerWaalsContact C-N 3.29Å; V182-K184 PolarHBondContact O-N 3.13Å; V182-M185 PolarHBondContact O-N 3.45Å; V182-M185 VanDerWaalsContact O-N 3.12Å; V182-I186 HydrophobicContact CG1-CG1 4.11Å; V182-I186 WeakPolarHBondContact O-CG1 3.27Å; V182-I186 PolarHBondContact O-N 3.48Å
183R97.1Very high96.2Very high106 Ų10653.2 Ų53.240%0.425%0.252SS..Hα-helixtrans-54.8-44.5176.4-80.8-175.7-83.8150.7-6.6112.1F174 A177 K178 E179 P180 I186 L187F174-R183 HydrophobicContact CE2-CB 4.29Å; A177-R183 HydrophobicContact CB-CB 4.49Å; A177-R183 HydrophobicContact CB-CG 3.51Å; A177-R183 VanDerWaalsContact O-CD 3.29Å; A177-R183 WeakPolarHBondContact O-CD 3.39Å; A177-R183 WeakPolarHBondContact O-CG 3.26Å; A177-R183 PolarHBondContact O-NE 3.31Å; K178-R183 PolarHBondContact O-NH2 3.4Å; E179-R183 PolarHBondContact O-N 3.33Å; P180-R183 PolarHBondContact O-N 3.41Å; R183-I186 PolarHBondContact O-N 2.93Å; R183-L187 WeakPolarHBondContact O-CB 3.16Å; R183-L187 PolarHBondContact O-N 3.07Å
184K95.7Very high96Very high80 Ų8057.1 Ų57.135%0.34828%0.284SS..Hα-helixtrans-59.6-47176.4-174.6175.9-178.3178.60111.6P180 W181 V182 L187 L188 Y206 Y207P180-K184 WeakPolarHBondContact O-CB 3.5Å; P180-K184 PolarHBondContact O-N 3.32Å; W181-K184 PolarHBondContact O-N 2.9Å; V182-K184 VanDerWaalsContact C-N 3.29Å; V182-K184 PolarHBondContact O-N 3.13Å; K184-L187 WeakPolarHBondContact O-CB 3.46Å; K184-L187 PolarHBondContact O-N 3.01Å; K184-L188 PolarHBondContact O-N 3.47Å; K184-L188 VanDerWaalsContact O-N 3.08Å; K184-Y206 HydrophobicContact CD-CE1 4.5Å; K184-Y206 WeakPolarHBondContact CE-O 3.47Å; K184-Y206 HydrophobicContact CG-CE1 4.24Å; K184-Y206 PolarHBondContact NZ-O 3.26Å; K184-Y207 HydrophobicContact CG-CD1 3.98Å; K184-Y207 HydrophobicContact CG-CE1 3.88Å; K184-Y207 VanDerWaalsContact O-CE1 3.28Å; K184-Y207 WeakPolarHBondContact O-CE1 3.49Å
185M96Very high95.8Very high26 Ų2655 Ų5513%0.12828%0.284CS..Hα-helixtrans-71-32.7-179.4-70.7-178.87900113.5M138 L141 E142 I145 W181 V182 L188 L189M138-M185 HydrophobicContact CG-CE 4.42Å; M138-M185 HydrophobicContact CG-SD 4.23Å; L141-M185 HydrophobicContact CB-CE 3.69Å; L141-M185 HydrophobicContact CB-SD 4.29Å; L141-M185 HydrophobicContact CD2-CB 3.27Å; L141-M185 HydrophobicContact CD2-CE 4.16Å; L141-M185 HydrophobicContact CD2-CG 4.19Å; L141-M185 HydrophobicContact CD2-SD 3.93Å; L141-M185 HydrophobicContact CG-CB 3.85Å; L141-M185 HydrophobicContact CG-CE 3.83Å; L141-M185 HydrophobicContact CG-SD 4.27Å; E142-M185 HydrophobicContact CB-CE 4.42Å; E142-M185 HydrophobicContact CG-CE 3.64Å; I145-M185 HydrophobicContact CD1-CB 4.25Å; I145-M185 HydrophobicContact CD1-CE 3.73Å; W181-M185 HydrophobicContact CE3-SD 3.66Å; W181-M185 HydrophobicContact CZ3-SD 3.72Å; W181-M185 WeakPolarHBondContact O-CG 3.37Å; W181-M185 PolarHBondContact O-N 2.87Å; V182-M185 PolarHBondContact O-N 3.45Å; V182-M185 VanDerWaalsContact O-N 3.12Å; M185-L188 WeakPolarHBondContact O-CB 3.06Å; M185-L188 PolarHBondContact O-N 3.33Å; M185-L189 PolarHBondContact O-N 2.97Å
186I97.5Very high95.6Very high0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-69.3-38.3171.7-60.5-65.8000110.9L128 L133 L141 F170 F174 V182 R183 L188 L189 I190L128-I186 HydrophobicContact CD2-CD1 3.61Å; L133-I186 HydrophobicContact CD1-CD1 4.49Å; L141-I186 HydrophobicContact CD1-CD1 3.83Å; L141-I186 HydrophobicContact CD2-CD1 4.17Å; L141-I186 HydrophobicContact CD2-CG1 4.42Å; F170-I186 VanDerWaalsContact O-CG2 3.22Å; F170-I186 WeakPolarHBondContact O-CG2 3.45Å; F174-I186 HydrophobicContact CB-CG2 3.74Å; F174-I186 HydrophobicContact CD2-CG2 4.43Å; V182-I186 HydrophobicContact CG1-CG1 4.11Å; V182-I186 WeakPolarHBondContact O-CG1 3.27Å; V182-I186 PolarHBondContact O-N 3.48Å; R183-I186 PolarHBondContact O-N 2.93Å; I186-L188 VanDerWaalsContact C-N 3.27Å; I186-L188 PolarHBondContact O-N 3.35Å; I186-L189 HydrophobicContact CD1-CD1 4.19Å; I186-L189 WeakPolarHBondContact O-CB 3.41Å; I186-L189 PolarHBondContact O-N 2.62Å; I186-I190 HydrophobicContact CG2-CD1 4.31Å; I186-I190 WeakPolarHBondContact O-CG1 3.49Å; I186-I190 PolarHBondContact O-N 3.03Å
187L97.1Very high95.4Very high52 Ų5247.8 Ų47.827%0.27225%0.254SS..Hα-helixtrans-60.5-40.3174.9-170.665.9000111.3F174 R183 K184 L189 I190 E191 Y207F174-L187 HydrophobicContact CD2-CB 4.39Å; F174-L187 HydrophobicContact CE2-CB 4.09Å; F174-L187 HydrophobicContact CE2-CD1 4.12Å; R183-L187 WeakPolarHBondContact O-CB 3.16Å; R183-L187 PolarHBondContact O-N 3.07Å; K184-L187 WeakPolarHBondContact O-CB 3.46Å; K184-L187 PolarHBondContact O-N 3.01Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3.17Å; L187-I190 WeakPolarHBondContact O-CB 3.32Å; L187-I190 PolarHBondContact O-N 3.43Å; L187-I190 VanDerWaalsContact O-N 3.13Å; L187-E191 PolarHBondContact O-N 2.98Å; L187-Y207 WeakPolarHBondContact CD2-OH 3.27Å; L187-Y207 WeakPolarHBondContact CG-OH 3.43Å
188L95.7Very high95.1Very high10 Ų1056.9 Ų56.95%0.05229%0.287CS..Hα-helixtrans-55.8-44.4171166.657000112.1I145 K184 M185 I186 I190 E191 L192 L199 Y207I145-L188 HydrophobicContact CD1-CD2 3.85Å; I145-L188 HydrophobicContact CD1-CG 4.36Å; I145-L188 HydrophobicContact CG1-CD2 4.48Å; I145-L188 HydrophobicContact CG2-CD2 4.17Å; I145-L188 HydrophobicContact CG2-CG 4.5Å; K184-L188 PolarHBondContact O-N 3.47Å; K184-L188 VanDerWaalsContact O-N 3.08Å; M185-L188 WeakPolarHBondContact O-CB 3.06Å; M185-L188 PolarHBondContact O-N 3.33Å; I186-L188 VanDerWaalsContact C-N 3.27Å; I186-L188 PolarHBondContact O-N 3.35Å; L188-I190 PolarHBondContact O-N 3.02Å; L188-E191 PolarHBondContact O-N 3.27Å; L188-L192 HydrophobicContact CD1-CD1 3.77Å; L188-L192 HydrophobicContact CD1-CG 3.88Å; L188-L192 HydrophobicContact CG-CD1 4.07Å; L188-L192 WeakPolarHBondContact O-CB 3.41Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 2.97Å; L188-L199 HydrophobicContact CD1-CD1 3.68Å; L188-L199 HydrophobicContact CD1-CD2 3.65Å; L188-L199 HydrophobicContact CD1-CG 4.08Å; L188-Y207 HydrophobicContact CB-CD1 3.8Å; L188-Y207 HydrophobicContact CB-CD2 4.28Å; L188-Y207 HydrophobicContact CB-CE1 3.6Å; L188-Y207 HydrophobicContact CB-CE2 4.12Å; L188-Y207 HydrophobicContact CB-CG 4.17Å; L188-Y207 HydrophobicContact CD1-CD2 3.83Å; L188-Y207 HydrophobicContact CD1-CE2 4.14Å; L188-Y207 HydrophobicContact CD1-CG 4.12Å; L188-Y207 HydrophobicContact CD2-CD1 4.37Å; L188-Y207 HydrophobicContact CD2-CG 4.32Å; L188-Y207 HydrophobicContact CG-CD1 4.49Å; L188-Y207 HydrophobicContact CG-CG 4.44Å; L188-Y207 PolarHBondContact N-OH 3.44Å
189L95.4Very high94.8Very high0 Ų051.9 Ų51.90%027%0.266CS..Hα-helixtrans-61.9-41.2175-72.5174.8000112.8L128 L141 V144 I145 L148 F170 M185 I186 L187 S193L128-L189 HydrophobicContact CD1-CD1 4.42Å; L128-L189 HydrophobicContact CD2-CD1 4.32Å; L141-L189 HydrophobicContact CD1-CD1 3.93Å; V144-L189 HydrophobicContact CG1-CD1 4.04Å; V144-L189 HydrophobicContact CG1-CD2 4.23Å; I145-L189 HydrophobicContact CB-CD2 4.19Å; I145-L189 HydrophobicContact CG1-CD1 4.41Å; I145-L189 HydrophobicContact CG1-CD2 3.44Å; I145-L189 VanDerWaalsContact CG1-CD2 3.44Å; I145-L189 HydrophobicContact CG1-CG 3.75Å; L148-L189 HydrophobicContact CD1-CD2 3.69Å; F170-L189 HydrophobicContact CD1-CD1 4.39Å; F170-L189 HydrophobicContact CD2-CB 4.18Å; F170-L189 HydrophobicContact CE1-CD1 4.28Å; F170-L189 HydrophobicContact CE2-CB 4.29Å; F170-L189 HydrophobicContact CG-CB 4.36Å; M185-L189 PolarHBondContact O-N 2.97Å; I186-L189 HydrophobicContact CD1-CD1 4.19Å; I186-L189 WeakPolarHBondContact O-CB 3.41Å; I186-L189 PolarHBondContact O-N 2.62Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3.17Å; L189-S193 WeakPolarHBondContact O-CB 3.49Å; L189-S193 PolarHBondContact O-N 2.88Å
190I97.2Very high94.5Very high39 Ų3950.1 Ų50.120%0.227%0.266CS..Hα-helixtrans-61.8-50177.2-66.8169.8000109.8F170 F174 I186 L187 L188 S193 A194F170-I190 HydrophobicContact CB-CG1 3.86Å; F174-I190 HydrophobicContact CB-CD1 3.99Å; F174-I190 HydrophobicContact CD2-CD1 4.49Å; F174-I190 HydrophobicContact CG-CD1 4.26Å; I186-I190 HydrophobicContact CG2-CD1 4.31Å; I186-I190 WeakPolarHBondContact O-CG1 3.49Å; I186-I190 PolarHBondContact O-N 3.03Å; L187-I190 WeakPolarHBondContact O-CB 3.32Å; L187-I190 PolarHBondContact O-N 3.43Å; L187-I190 VanDerWaalsContact O-N 3.13Å; L188-I190 PolarHBondContact O-N 3.02Å; I190-S193 PolarHBondContact O-N 2.81Å; I190-S193 PolarHBondContact O-OG 2.97Å; I190-A194 PolarHBondContact O-N 2.84Å
191E96Very high94.2Very high67 Ų6752 Ų5231%0.31327%0.272SS..Hα-helixtrans-62.7-43.6179.1-75.5-172.5-136.400112.6L187 L188 S193 A194 G195 A203 Y207L187-E191 PolarHBondContact O-N 2.98Å; L188-E191 PolarHBondContact O-N 3.27Å; E191-S193 VanDerWaalsContact C-N 3.3Å; E191-S193 PolarHBondContact O-N 3.39Å; E191-A194 PolarHBondContact O-N 2.74Å; E191-G195 PolarHBondContact O-N 2.78Å; E191-A203 WeakPolarHBondContact OE2-CB 3.29Å; E191-Y207 PolarHBondContact OE1-OH 3.1Å
192L94.4Very high94Very high0 Ų053.7 Ų53.70%029%0.287CS..Hα-helixtrans-55.4-47.7173.2-81.1169.7000111.2I145 L149 L188 A194 G195 W197 L199I145-L192 HydrophobicContact CG2-CD1 3.96Å; L149-L192 HydrophobicContact CD2-CD1 4.3Å; L149-L192 HydrophobicContact CD2-CD2 3.46Å; L149-L192 VanDerWaalsContact CD2-CD2 3.46Å; L149-L192 HydrophobicContact CG-CD1 4.2Å; L149-L192 HydrophobicContact CG-CD2 4.25Å; L188-L192 HydrophobicContact CD1-CD1 3.77Å; L188-L192 HydrophobicContact CD1-CG 3.88Å; L188-L192 HydrophobicContact CG-CD1 4.07Å; L188-L192 WeakPolarHBondContact O-CB 3.41Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 2.97Å; L192-A194 VanDerWaalsContact C-N 3.28Å; L192-A194 PolarHBondContact O-N 3.39Å; L192-G195 PolarHBondContact O-N 3.22Å; L192-W197 HydrophobicContact CB-CE3 4.34Å; L192-W197 VanDerWaalsContact O-CA 3.24Å; L192-W197 WeakPolarHBondContact O-CA 3.34Å; L192-W197 PolarHBondContact O-N 2.99Å; L192-L199 HydrophobicContact CD2-CD1 4.12Å; L192-L199 HydrophobicContact CD2-CD2 4.44Å; L192-L199 HydrophobicContact CD2-CG 3.69Å; L192-L199 HydrophobicContact CG-CD2 4.49Å; L192-L199 HydrophobicContact CG-CG 4.21Å
193S95.1Very high93.6Very high7 Ų753.7 Ų53.75%0.04929%0.287CS..Hα-helixtrans-66.5-30.6-178.982.60000112.8R167 L189 I190 E191R167-S193 PolarHBondContact NH2-O 2.66Å; L189-S193 WeakPolarHBondContact O-CB 3.49Å; L189-S193 PolarHBondContact O-N 2.88Å; I190-S193 PolarHBondContact O-N 2.81Å; I190-S193 PolarHBondContact O-OG 2.97Å; E191-S193 VanDerWaalsContact C-N 3.3Å; E191-S193 PolarHBondContact O-N 3.39Å
194A94.4Very high93Very high82 Ų8250.3 Ų50.368%0.67828%0.28SS*.Hα-helixtrans-78-33.9177.300000112.2I190 E191 L192 S196I190-A194 PolarHBondContact O-N 2.84Å; E191-A194 PolarHBondContact O-N 2.74Å; L192-A194 VanDerWaalsContact C-N 3.28Å; L192-A194 PolarHBondContact O-N 3.39Å; A194-S196 VanDerWaalsContact C-N 3.26Å; A194-S196 PolarHBondContact O-N 3.03Å
195G93.4Very high92.8Very high34 Ų3452.3 Ų52.335%0.35129%0.285SS..THydrogen-bonded Turntrans-85.823.1178.300000114.7E191 L192 W197 R198E191-G195 PolarHBondContact O-N 2.78Å; L192-G195 PolarHBondContact O-N 3.22Å; G195-W197 VanDerWaalsContact C-N 3.25Å; G195-W197 PolarHBondContact O-N 3.22Å; G195-R198 PolarHBondContact O-N 3.26Å; G195-R198 VanDerWaalsContact O-N 3.09Å
196S92.2Very high92.5Very high65 Ų6557.4 Ų57.446%0.45530%0.304SS..THydrogen-bonded Turntrans50.944.8-175.4-580000113.1A194 R198A194-S196 VanDerWaalsContact C-N 3.26Å; A194-S196 PolarHBondContact O-N 3.03Å; S196-R198 VanDerWaalsContact C-N 3.27Å; S196-R198 PolarHBondContact O-N 2.98Å
197W92.4Very high92Very high12 Ų1258.6 Ų58.65%0.04531%0.309CS..THydrogen-bonded Turntrans66.428.8178.4-46.691.6000113.7L148 G152 Y153 E156 L163 F170 L192 G195L148-W197 HydrophobicContact CB-CE3 4.01Å; L148-W197 HydrophobicContact CB-CH2 4.49Å; L148-W197 HydrophobicContact CB-CZ3 3.64Å; L148-W197 HydrophobicContact CD1-CH2 4.47Å; L148-W197 HydrophobicContact CD1-CZ3 4.09Å; L148-W197 HydrophobicContact CD2-CH2 3.88Å; L148-W197 HydrophobicContact CD2-CZ3 3.88Å; L148-W197 HydrophobicContact CG-CZ3 4.08Å; G152-W197 VanDerWaalsContact C-CE2 3.43Å; G152-W197 VanDerWaalsContact C-CG 3.5Å; G152-W197 VanDerWaalsContact CA-CD2 3.49Å; G152-W197 PolarHBondContact O-NE1 3.26Å; G152-W197 VanDerWaalsContact O-NE1 3.16Å; Y153-W197 VanDerWaalsContact N-CG 3.32Å; E156-W197 PolarHBondContact OE2-NE1 2.85Å; L163-W197 HydrophobicContact CD1-CH2 4.12Å; L163-W197 HydrophobicContact CD1-CZ2 3.7Å; L163-W197 HydrophobicContact CD2-CZ2 3.53Å; L163-W197 HydrophobicContact CG-CZ2 3.97Å; F170-W197 HydrophobicContact CE2-CH2 4.38Å; L192-W197 HydrophobicContact CB-CE3 4.34Å; L192-W197 VanDerWaalsContact O-CA 3.24Å; L192-W197 WeakPolarHBondContact O-CA 3.34Å; L192-W197 PolarHBondContact O-N 2.99Å; G195-W197 VanDerWaalsContact C-N 3.25Å; G195-W197 PolarHBondContact O-N 3.22Å
198R90.5Very high91.3Very high200 Ų20062.4 Ų62.476%0.75532%0.32SS*.  trans-128.5139.6170.9-60.4-179.3179-178.5-1.1109G195 S196G195-R198 PolarHBondContact O-N 3.26Å; G195-R198 VanDerWaalsContact O-N 3.09Å; S196-R198 VanDerWaalsContact C-N 3.27Å; S196-R198 PolarHBondContact O-N 2.98Å
199L87.7Confident90.3Very high34 Ų3467.9 Ų67.918%0.17835%0.345CS..  trans-85.9142.7170.1-81157.9000110L188 L192 A203 S204 Y207 Y208L188-L199 HydrophobicContact CD1-CD1 3.68Å; L188-L199 HydrophobicContact CD1-CD2 3.65Å; L188-L199 HydrophobicContact CD1-CG 4.08Å; L192-L199 HydrophobicContact CD2-CD1 4.12Å; L192-L199 HydrophobicContact CD2-CD2 4.44Å; L192-L199 HydrophobicContact CD2-CG 3.69Å; L192-L199 HydrophobicContact CG-CD2 4.49Å; L192-L199 HydrophobicContact CG-CG 4.21Å; L199-A203 HydrophobicContact CB-CB 4.47Å; L199-A203 HydrophobicContact CD2-CB 3.45Å; L199-A203 VanDerWaalsContact CD2-CB 3.45Å; L199-S204 WeakPolarHBondContact CB-OG 3.5Å; L199-Y207 HydrophobicContact CD2-CD2 4.05Å; L199-Y207 HydrophobicContact CD2-CE2 4.25Å; L199-Y208 HydrophobicContact CD1-CE2 3.65Å
200S89.8Confident88.5Confident70 Ų7073.5 Ų73.549%0.4938%0.38SS..  trans-68.4161.5163.9700000110.5N202 A203 S204S200-N202 VanDerWaalsContact C-N 3.27Å; S200-N202 PolarHBondContact O-N 3.47Å; S200-A203 PolarHBondContact O-N 3.39Å; S200-A203 VanDerWaalsContact OG-CB 3.3Å; S200-A203 WeakPolarHBondContact OG-CB 3.22Å; S200-A203 PolarHBondContact OG-N 3.23Å; S200-A203 VanDerWaalsContact OG-N 3.12Å; S200-S204 WeakPolarHBondContact O-CB 3.31Å; S200-S204 PolarHBondContact O-N 3.33Å; S200-S204 PolarHBondContact O-OG 3.37Å
201D89.4Confident86Confident121 Ų12177 Ų7765%0.64740%0.404SS*.Hα-helixtrans-58.7-41.6174.8-68.2-18.6000111.5S204 R205D201-S204 WeakPolarHBondContact O-CB 3.47Å; D201-S204 PolarHBondContact O-N 2.93Å; D201-R205 WeakPolarHBondContact O-CG 3.49Å; D201-R205 PolarHBondContact O-N 2.8Å
202N89.8Confident83.5Confident116 Ų11679.8 Ų79.862%0.6243%0.43SS*.Hα-helixtrans-63.5-44.7179.1-71-16000111.8S200 R205 Y206S200-N202 VanDerWaalsContact C-N 3.27Å; S200-N202 PolarHBondContact O-N 3.47Å; N202-R205 PolarHBondContact O-N 3.09Å; N202-R205 PolarHBondContact OD1-NH1 3.15Å; N202-Y206 PolarHBondContact O-N 3.28Å
203A88.5Confident80.4Confident6 Ų682.7 Ų82.75%0.0546%0.46CS..Hα-helixtrans-63.1-44.4175.600000111E191 L199 S200 R205 Y206 Y207E191-A203 WeakPolarHBondContact OE2-CB 3.29Å; L199-A203 HydrophobicContact CB-CB 4.47Å; L199-A203 HydrophobicContact CD2-CB 3.45Å; L199-A203 VanDerWaalsContact CD2-CB 3.45Å; S200-A203 PolarHBondContact O-N 3.39Å; S200-A203 VanDerWaalsContact OG-CB 3.3Å; S200-A203 WeakPolarHBondContact OG-CB 3.22Å; S200-A203 PolarHBondContact OG-N 3.23Å; S200-A203 VanDerWaalsContact OG-N 3.12Å; A203-R205 VanDerWaalsContact C-N 3.28Å; A203-R205 PolarHBondContact O-N 3.2Å; A203-Y206 PolarHBondContact O-N 3.28Å; A203-Y206 VanDerWaalsContact O-N 3.09Å; A203-Y207 HydrophobicContact CB-CD2 4.29Å; A203-Y207 HydrophobicContact CB-CE2 4.18Å; A203-Y207 WeakPolarHBondContact O-CD2 3.41Å; A203-Y207 PolarHBondContact O-N 3.4Å
204S85.9Confident77.6Confident35 Ų3586.6 Ų86.625%0.24549%0.493CS..Hα-helixtrans-57.4-41.2176.5-59.90000111.9L199 S200 D201 Y208L199-S204 WeakPolarHBondContact CB-OG 3.5Å; S200-S204 WeakPolarHBondContact O-CB 3.31Å; S200-S204 PolarHBondContact O-N 3.33Å; S200-S204 PolarHBondContact O-OG 3.37Å; D201-S204 WeakPolarHBondContact O-CB 3.47Å; D201-S204 PolarHBondContact O-N 2.93Å; S204-Y208 WeakPolarHBondContact O-CB 3.43Å; S204-Y208 VanDerWaalsContact O-CD2 3.29Å; S204-Y208 WeakPolarHBondContact O-CD2 3.43Å; S204-Y208 PolarHBondContact O-N 2.95Å
205R89.8Confident74.7Confident122 Ų12293.4 Ų93.446%0.4653%0.525SS..Hα-helixtrans-62.2-49.6172.9-65.8-172.2-166.2110.73.5111.6D201 N202 A203 Y207 Q209D201-R205 WeakPolarHBondContact O-CG 3.49Å; D201-R205 PolarHBondContact O-N 2.8Å; N202-R205 PolarHBondContact O-N 3.09Å; N202-R205 PolarHBondContact OD1-NH1 3.15Å; A203-R205 VanDerWaalsContact C-N 3.28Å; A203-R205 PolarHBondContact O-N 3.2Å; R205-Y207 VanDerWaalsContact C-N 3.34Å; R205-Y207 PolarHBondContact O-N 2.98Å; R205-Q209 HydrophobicContact CB-CG 4.42Å; R205-Q209 WeakPolarHBondContact O-CA 3.37Å; R205-Q209 VanDerWaalsContact O-CB 3.23Å; R205-Q209 WeakPolarHBondContact O-CB 3.48Å; R205-Q209 PolarHBondContact O-N 3.18Å
206Y89.5Confident73.8Confident134 Ų13496.4 Ų96.453%0.52553%0.534SS..Hα-helixtrans-59.9-39.5-178.8177.2-98.8000113.9K184 N202 A203K184-Y206 HydrophobicContact CD-CE1 4.5Å; K184-Y206 WeakPolarHBondContact CE-O 3.47Å; K184-Y206 HydrophobicContact CG-CE1 4.24Å; K184-Y206 PolarHBondContact NZ-O 3.26Å; N202-Y206 PolarHBondContact O-N 3.28Å; A203-Y206 PolarHBondContact O-N 3.28Å; A203-Y206 VanDerWaalsContact O-N 3.09Å
207Y88.2Confident72.8Confident25 Ų2598 Ų9810%0.09854%0.538CS..Hα-helixtrans-83.9-39.9-177.7-67.7-64.8000113.5K184 L187 L188 E191 L199 A203 R205K184-Y207 HydrophobicContact CG-CD1 3.98Å; K184-Y207 HydrophobicContact CG-CE1 3.88Å; K184-Y207 VanDerWaalsContact O-CE1 3.28Å; K184-Y207 WeakPolarHBondContact O-CE1 3.49Å; L187-Y207 WeakPolarHBondContact CD2-OH 3.27Å; L187-Y207 WeakPolarHBondContact CG-OH 3.43Å; L188-Y207 HydrophobicContact CB-CD1 3.8Å; L188-Y207 HydrophobicContact CB-CD2 4.28Å; L188-Y207 HydrophobicContact CB-CE1 3.6Å; L188-Y207 HydrophobicContact CB-CE2 4.12Å; L188-Y207 HydrophobicContact CB-CG 4.17Å; L188-Y207 HydrophobicContact CD1-CD2 3.83Å; L188-Y207 HydrophobicContact CD1-CE2 4.14Å; L188-Y207 HydrophobicContact CD1-CG 4.12Å; L188-Y207 HydrophobicContact CD2-CD1 4.37Å; L188-Y207 HydrophobicContact CD2-CG 4.32Å; L188-Y207 HydrophobicContact CG-CD1 4.49Å; L188-Y207 HydrophobicContact CG-CG 4.44Å; L188-Y207 PolarHBondContact N-OH 3.44Å; E191-Y207 PolarHBondContact OE1-OH 3.1Å; L199-Y207 HydrophobicContact CD2-CD2 4.05Å; L199-Y207 HydrophobicContact CD2-CE2 4.25Å; A203-Y207 HydrophobicContact CB-CD2 4.29Å; A203-Y207 HydrophobicContact CB-CE2 4.18Å; A203-Y207 WeakPolarHBondContact O-CD2 3.41Å; A203-Y207 PolarHBondContact O-N 3.4Å; R205-Y207 VanDerWaalsContact C-N 3.34Å; R205-Y207 PolarHBondContact O-N 2.98Å
208Y82.5Confident71.7Confident132 Ų132102.8 Ų102.852%0.51857%0.566SS.*Hα-helixtrans-106.8-20.9-170.1-56.8-61.2000115.1L199 S204 T210L199-Y208 HydrophobicContact CD1-CE2 3.65Å; S204-Y208 WeakPolarHBondContact O-CB 3.43Å; S204-Y208 VanDerWaalsContact O-CD2 3.29Å; S204-Y208 WeakPolarHBondContact O-CD2 3.43Å; S204-Y208 PolarHBondContact O-N 2.95Å; Y208-T210 PolarHBondContact O-N 3.47Å
209Q75.3Confident70.6Confident124 Ų12497.1 Ų97.158%0.57956%0.555SS**  trans-86.6102.9174.8-62.9-179.8-14.800108.6R205 T211R205-Q209 HydrophobicContact CB-CG 4.42Å; R205-Q209 WeakPolarHBondContact O-CA 3.37Å; R205-Q209 VanDerWaalsContact O-CB 3.23Å; R205-Q209 WeakPolarHBondContact O-CB 3.48Å; R205-Q209 PolarHBondContact O-N 3.18Å; Q209-T211 PolarHBondContact O-N 3.03Å
210T55.9Low69.6Low118 Ų118101 Ų10172%0.72458%0.578SS**  trans-61.5118.9163.4-49.70000107.5Y208 S212Y208-T210 PolarHBondContact O-N 3.47Å; T210-S212 PolarHBondContact O-N 3.04Å
211T46.2Very low68.2Low114 Ų114103.1 Ų103.170%0.69958%0.584SS**  trans-63.190.2162.9-49.50000107.5Q209 G213Q209-T211 PolarHBondContact O-N 3.03Å; T211-G213 WeakPolarHBondContact CG2-O 3.44Å; T211-G213 PolarHBondContact O-N 3.46Å
212S42Very low66.7Low124 Ų124101.8 Ų101.887%0.86758%0.58SS**  trans-71.541168.7-56.50000111.5T210T210-S212 PolarHBondContact O-N 3.04Å
213G30.5Very low64.9Low61 Ų61100.7 Ų100.763%0.62958%0.576SS**  trans174.685.4-174.500000114.5T211T211-G213 WeakPolarHBondContact CG2-O 3.44Å; T211-G213 PolarHBondContact O-N 3.46Å
214A36.3Very low63Low89 Ų89108.6 Ų108.674%0.73662%0.62SS**  trans-163.395.9147.500000107.7
215V33.8Very low60.9Low225 Ų225115.3 Ų115.3100%1.36465%0.654SS**  trans28.50158-166.20000118.1

Retrieved 215 of 215 residues in 127.7 ms (Link to these results)

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