A0A077Z344_TRITR Loading...

Cytochrome c oxidase polypeptide VIb

AlphaFold DB , UniProt , Accession A0A077Z344, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 127 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
1M42.7Very low43.8Very low252 Ų252153.7 Ų153.7100%1.24182%0.822SS**  01030-60153.181.100104.6
2S48.8Very low44.4Very low115 Ų115155.6 Ų155.680%0.80482%0.818SS**  cis-137.3133.833.8161.60000108.9
3K39.6Very low45.3Very low199 Ų199148.4 Ų148.487%0.86578%0.78SS**  trans-99.2136.7162.6-73.5176.7176176.80105.6
4S41.5Very low46.6Very low108 Ų108142.1 Ų142.176%0.75576%0.755SS**  trans131.776.1150-61.20000115.1
5D50.6Low47.7Very low166 Ų166140.7 Ų140.789%0.88875%0.747SS**  trans-128.152.1158.4-72.1-44.7000109.9
6K41.4Very low48.6Very low217 Ų217141.7 Ų141.794%0.94374%0.738SS**  trans-13262170.7-72.6-173.1-177.7173.70109.5
7A38.7Very low50.1Low96 Ų96137.2 Ų137.279%0.79371%0.711SS**  trans-124.6135.4164.700000108
8D42.9Very low51.6Low133 Ų133131.8 Ų131.871%0.71169%0.69SS**  trans86.259.4171-144.516.6000118.8T10D8-T10 PolarHBondContact OD1-OG1 2.9Å
9K38.7Very low53.1Low209 Ų209125.4 Ų125.491%0.90966%0.655SS**  trans-109.540.1144.4-69.9-173.3-177.2175.50109.8D11K9-D11 PolarHBondContact O-N 2.9Å
10T42.8Very low54.3Low110 Ų110120.6 Ų120.668%0.67563%0.63SS**  trans-55.9126.3167.6-18.40000106.8D8 K12D8-T10 PolarHBondContact OD1-OG1 2.9Å; T10-K12 PolarHBondContact O-N 3.11Å; T10-K12 VanDerWaalsContact O-N 3.17Å
11D53.6Low55.2Low86 Ų86120.9 Ų120.946%0.4663%0.632SS.*  trans-64.2108.4-144.2-179.515.2000113.3K9 N13 S14 D15K9-D11 PolarHBondContact O-N 2.9Å; D11-N13 VanDerWaalsContact CG-CB 3.49Å; D11-N13 PolarHBondContact O-N 3.06Å; D11-N13 WeakPolarHBondContact OD1-CA 3.42Å; D11-N13 WeakPolarHBondContact OD1-CB 3.28Å; D11-N13 PolarHBondContact OD1-N 3.31Å; D11-N13 WeakPolarHBondContact OD2-CB 3.24Å; D11-S14 PolarHBondContact O-N 3.2Å; D11-S14 PolarHBondContact O-OG 2.93Å; D11-S14 PolarHBondContact OD2-N 3.01Å; D11-D15 PolarHBondContact O-N 3.18Å
12K52.1Low56.3Low176 Ų176111 Ų11177%0.76559%0.585SS**Hα-helixtrans-52.8-20171.4-69.1-174.8-178.9-179.30112.4T10 R16T10-K12 PolarHBondContact O-N 3.11Å; T10-K12 VanDerWaalsContact O-N 3.17Å; K12-R16 WeakPolarHBondContact O-CB 3Å; K12-R16 WeakPolarHBondContact O-CG 3.44Å; K12-R16 PolarHBondContact O-N 2.98Å; K12-R16 PolarHBondContact O-NE 3.05Å
13N56.1Low57Low62 Ų62108.5 Ų108.533%0.33256%0.557SS.*Hα-helixtrans-74.7-35.6174.5-151.227.5000113D11 R16 K17D11-N13 VanDerWaalsContact CG-CB 3.49Å; D11-N13 PolarHBondContact O-N 3.06Å; D11-N13 WeakPolarHBondContact OD1-CA 3.42Å; D11-N13 WeakPolarHBondContact OD1-CB 3.28Å; D11-N13 PolarHBondContact OD1-N 3.31Å; D11-N13 WeakPolarHBondContact OD2-CB 3.24Å; N13-R16 PolarHBondContact O-N 3.45Å; N13-R16 PolarHBondContact OD1-NH2 3.22Å; N13-K17 PolarHBondContact O-N 2.96Å; N13-K17 VanDerWaalsContact O-N 3.1Å
14S62.8Low58Low61 Ų61101.6 Ų101.643%0.42753%0.534SS..Hα-helixtrans-64.4-44.1176.368.70000110.8D11 R16 K17 A18D11-S14 PolarHBondContact O-N 3.2Å; D11-S14 PolarHBondContact O-OG 2.93Å; D11-S14 PolarHBondContact OD2-N 3.01Å; S14-R16 VanDerWaalsContact C-N 3.33Å; S14-R16 PolarHBondContact O-N 3.27Å; S14-K17 CarbonylContact O-C 3.56Å; S14-K17 PolarHBondContact O-N 2.97Å; S14-K17 VanDerWaalsContact O-N 3.16Å; S14-A18 PolarHBondContact O-N 3.2Å
15D63.2Low58.8Low120 Ų120101 Ų10164%0.64252%0.522SS*.Hα-helixtrans-65.1-37.8178.4-68.7-13000111.9D11 K17 A18D11-D15 PolarHBondContact O-N 3.18Å; D15-K17 VanDerWaalsContact C-N 3.28Å; D15-K17 PolarHBondContact O-N 2.63Å; D15-A18 WeakPolarHBondContact O-CB 3.38Å; D15-A18 PolarHBondContact O-N 2.69Å
16R62.8Low59.1Low157 Ų15796 Ų9659%0.59250%0.498SS*.Hα-helixtrans-69.5-23.1176.5-75.3-175.3-52.1165.99.7113.6K12 N13 S14 W19K12-R16 WeakPolarHBondContact O-CB 3Å; K12-R16 WeakPolarHBondContact O-CG 3.44Å; K12-R16 PolarHBondContact O-N 2.98Å; K12-R16 PolarHBondContact O-NE 3.05Å; N13-R16 PolarHBondContact O-N 3.45Å; N13-R16 PolarHBondContact OD1-NH2 3.22Å; S14-R16 VanDerWaalsContact C-N 3.33Å; S14-R16 PolarHBondContact O-N 3.27Å; R16-W19 PolarHBondContact O-NE1 2.84Å
17K74Confident59.6Low66 Ų6688.6 Ų88.629%0.28747%0.468SS..Hα-helixtrans-96.2-11.7174.1-67.8-173.3177.6-172.90112.4N13 S14 D15 W19 M20 N21 D92N13-K17 PolarHBondContact O-N 2.96Å; N13-K17 VanDerWaalsContact O-N 3.1Å; S14-K17 CarbonylContact O-C 3.56Å; S14-K17 PolarHBondContact O-N 2.97Å; S14-K17 VanDerWaalsContact O-N 3.16Å; D15-K17 VanDerWaalsContact C-N 3.28Å; D15-K17 PolarHBondContact O-N 2.63Å; K17-W19 VanDerWaalsContact C-N 3.29Å; K17-W19 PolarHBondContact O-N 3.05Å; K17-M20 HydrophobicContact CB-SD 4.28Å; K17-M20 HydrophobicContact CG-SD 4.07Å; K17-M20 VanDerWaalsContact O-CB 3.29Å; K17-M20 WeakPolarHBondContact O-CB 3.39Å; K17-M20 PolarHBondContact O-N 3.5Å; K17-N21 PolarHBondContact O-N 3.13Å; K17-D92 IonicContact NZ-OD1 3.14Å
18A76.3Confident60.7Low39 Ų3989.3 Ų89.332%0.32246%0.459SS..Hα-helixtrans-58.1-37.7-178.200000113.3S14 D15 M20 N21 N22S14-A18 PolarHBondContact O-N 3.2Å; D15-A18 WeakPolarHBondContact O-CB 3.38Å; D15-A18 PolarHBondContact O-N 2.69Å; A18-M20 VanDerWaalsContact C-N 3.3Å; A18-M20 PolarHBondContact O-N 3.38Å; A18-N21 PolarHBondContact O-N 2.96Å; A18-N22 PolarHBondContact O-N 3.22Å
19W79.8Confident61.6Low10 Ų1085.8 Ų85.84%0.03845%0.454CS..Hα-helixtrans-65.5-32.4174.374.8-82.8000112.3R16 K17 N21 N22 W23 K54 K56 P57 L95 A98 L99R16-W19 PolarHBondContact O-NE1 2.84Å; K17-W19 VanDerWaalsContact C-N 3.29Å; K17-W19 PolarHBondContact O-N 3.05Å; W19-N21 PolarHBondContact O-N 3.47Å; W19-N22 PolarHBondContact O-N 3.31Å; W19-W23 PolarHBondContact O-N 2.72Å; W19-K54 HydrophobicContact CB-CB 3.94Å; W19-K56 HydrophobicContact CD2-CB 4.08Å; W19-K56 HydrophobicContact CD2-CG 4.3Å; W19-K56 HydrophobicContact CE3-CB 3.7Å; W19-K56 HydrophobicContact CE3-CG 4.05Å; W19-K56 HydrophobicContact CH2-CB 4.31Å; W19-K56 HydrophobicContact CH2-CD 4.17Å; W19-K56 HydrophobicContact CH2-CG 3.75Å; W19-K56 HydrophobicContact CZ2-CG 4Å; W19-K56 HydrophobicContact CZ3-CB 3.82Å; W19-K56 HydrophobicContact CZ3-CD 4.25Å; W19-K56 HydrophobicContact CZ3-CG 3.77Å; W19-P57 VanDerWaalsContact NE1-CD 3.33Å; W19-L95 HydrophobicContact CZ2-CD1 4Å; W19-A98 HydrophobicContact CH2-CB 3.81Å; W19-A98 HydrophobicContact CZ3-CB 4.22Å; W19-L99 HydrophobicContact CH2-CD2 3.67Å; W19-L99 HydrophobicContact CH2-CG 4.03Å; W19-L99 HydrophobicContact CZ2-CD2 3.78Å; W19-L99 HydrophobicContact CZ2-CG 4.17Å
20M77.1Confident63Low30 Ų3082.8 Ų82.815%0.14844%0.443CS..Hα-helixtrans-64.7-44.3179-61.9171.551.200111.2K17 A18 N22 W23 E94 L95 A98K17-M20 HydrophobicContact CB-SD 4.28Å; K17-M20 HydrophobicContact CG-SD 4.07Å; K17-M20 VanDerWaalsContact O-CB 3.29Å; K17-M20 WeakPolarHBondContact O-CB 3.39Å; K17-M20 PolarHBondContact O-N 3.5Å; A18-M20 VanDerWaalsContact C-N 3.3Å; A18-M20 PolarHBondContact O-N 3.38Å; M20-N22 VanDerWaalsContact C-N 3.28Å; M20-N22 PolarHBondContact O-N 2.98Å; M20-W23 PolarHBondContact O-N 3.34Å; M20-E94 VanDerWaalsContact CE-C 3.47Å; M20-E94 HydrophobicContact CE-CB 4.16Å; M20-E94 WeakPolarHBondContact CE-O 3.08Å; M20-L95 VanDerWaalsContact CE-CA 3.49Å; M20-L95 HydrophobicContact CE-CB 4.28Å; M20-L95 HydrophobicContact CG-CD1 4.46Å; M20-L95 HydrophobicContact SD-CB 4.12Å; M20-L95 HydrophobicContact SD-CD1 3.54Å; M20-L95 VanDerWaalsContact SD-CD1 3.54Å; M20-L95 HydrophobicContact SD-CG 4.45Å; M20-A98 HydrophobicContact CB-CB 4.42Å; M20-A98 HydrophobicContact CE-CB 4.22Å; M20-A98 HydrophobicContact CG-CB 4.02Å
21N73.1Confident64.4Low126 Ų12682.5 Ų82.567%0.67444%0.437SS*.Hα-helixtrans-69.2-29.4-178.6-64.7-11.1000112.2K17 A18 W19 S24K17-N21 PolarHBondContact O-N 3.13Å; A18-N21 PolarHBondContact O-N 2.96Å; W19-N21 PolarHBondContact O-N 3.47Å; N21-S24 PolarHBondContact O-OG 3.28Å
22N66.7Low65.6Low46 Ų4681.6 Ų81.625%0.24644%0.441CS..Hα-helixtrans-82.4-14.8-178.1-175.382.1000113.5A18 W19 M20 K52 L53A18-N22 PolarHBondContact O-N 3.22Å; W19-N22 PolarHBondContact O-N 3.31Å; M20-N22 VanDerWaalsContact C-N 3.28Å; M20-N22 PolarHBondContact O-N 2.98Å; N22-K52 VanDerWaalsContact CG-O 3.31Å; N22-K52 PolarHBondContact ND2-O 3.05Å; N22-K52 PolarHBondContact OD1-O 3.41Å; N22-K52 VanDerWaalsContact OD1-O 3.05Å; N22-L53 VanDerWaalsContact ND2-CA 3.32Å; N22-L53 WeakPolarHBondContact ND2-CA 3.39Å
23W63.8Low67Low61 Ų6174.4 Ų74.423%0.23141%0.409CS..SBendtrans-103.60.8-177.4-77.569.9000113.6W19 M20 D25 V26 L27 K54W19-W23 PolarHBondContact O-N 2.72Å; M20-W23 PolarHBondContact O-N 3.34Å; W23-D25 PolarHBondContact O-N 2.91Å; W23-V26 HydrophobicContact CD2-CB 4.32Å; W23-V26 HydrophobicContact CD2-CG2 4.31Å; W23-V26 HydrophobicContact CE3-CB 3.75Å; W23-V26 HydrophobicContact CE3-CG1 3.6Å; W23-V26 HydrophobicContact CE3-CG2 4.14Å; W23-V26 HydrophobicContact CZ3-CB 4.32Å; W23-V26 HydrophobicContact CZ3-CG1 3.67Å; W23-V26 PolarHBondContact O-N 3.43Å; W23-L27 VanDerWaalsContact O-CB 3.31Å; W23-L27 WeakPolarHBondContact O-CB 3.44Å; W23-L27 WeakPolarHBondContact O-CG 3.28Å; W23-L27 PolarHBondContact O-N 3.33Å; W23-K54 PolarHBondContact NE1-O 3.36Å
24S60.9Low68.1Low54 Ų5476 Ų7638%0.37842%0.423SS..Hα-helixtrans-53.7-40.8172.151.30000111.6N21 L27 N28N21-S24 PolarHBondContact O-OG 3.28Å; S24-L27 PolarHBondContact O-N 3.4Å; S24-N28 VanDerWaalsContact O-CG 3.23Å; S24-N28 PolarHBondContact O-N 3.24Å; S24-N28 PolarHBondContact O-ND2 3Å
25D56.6Low69.1Low95 Ų9577.4 Ų77.451%0.50843%0.429SS..Hα-helixtrans-77.6-38.9-173.1-50.4-14000110.3W23 L27 N28W23-D25 PolarHBondContact O-N 2.91Å; D25-L27 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 2.87Å; D25-N28 PolarHBondContact O-N 2.94Å
26V57Low70Confident63 Ų6379.4 Ų79.438%0.38244%0.44SS..Hα-helixtrans-64.6-39.8174.3-1740000111.1W23 N28 G29 L53W23-V26 HydrophobicContact CD2-CB 4.32Å; W23-V26 HydrophobicContact CD2-CG2 4.31Å; W23-V26 HydrophobicContact CE3-CB 3.75Å; W23-V26 HydrophobicContact CE3-CG1 3.6Å; W23-V26 HydrophobicContact CE3-CG2 4.14Å; W23-V26 HydrophobicContact CZ3-CB 4.32Å; W23-V26 HydrophobicContact CZ3-CG1 3.67Å; W23-V26 PolarHBondContact O-N 3.43Å; V26-N28 PolarHBondContact O-N 3.37Å; V26-G29 PolarHBondContact O-N 2.91Å; V26-L53 HydrophobicContact CG2-CD2 3.75Å
27L52.9Low71.2Confident61 Ų6173.1 Ų73.132%0.31942%0.42SS..Hα-helixtrans-68.2-22.1178.8-73.3175.4000113.1W23 S24 D25 G29 R101W23-L27 VanDerWaalsContact O-CB 3.31Å; W23-L27 WeakPolarHBondContact O-CB 3.44Å; W23-L27 WeakPolarHBondContact O-CG 3.28Å; W23-L27 PolarHBondContact O-N 3.33Å; S24-L27 PolarHBondContact O-N 3.4Å; D25-L27 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 2.87Å; L27-G29 VanDerWaalsContact C-N 3.26Å; L27-R101 HydrophobicContact CD1-CB 4.28Å; L27-R101 HydrophobicContact CD2-CB 4.1Å
28N60.7Low71.7Confident110 Ų11079.1 Ų79.159%0.58845%0.446SS*.THydrogen-bonded Turntrans-82.2-3.8176.1-67.7-24000112.9S24 D25 V26 E30S24-N28 VanDerWaalsContact O-CG 3.23Å; S24-N28 PolarHBondContact O-N 3.24Å; S24-N28 PolarHBondContact O-ND2 3Å; D25-N28 PolarHBondContact O-N 2.94Å; V26-N28 PolarHBondContact O-N 3.37Å; N28-E30 HydrophobicContact CB-CG 4.46Å; N28-E30 PolarHBondContact O-N 3.18Å
29G61.9Low72.1Confident60 Ų6082.1 Ų82.162%0.61945%0.454SS*.THydrogen-bonded Turntrans73.316.2176.900000113.8V26 L27 I31V26-G29 PolarHBondContact O-N 2.91Å; L27-G29 VanDerWaalsContact C-N 3.26Å; G29-I31 PolarHBondContact O-N 2.79Å
30E68.7Low72.3Confident145 Ų14585.1 Ų85.168%0.67847%0.47SS*.  trans-73.3113.9175-66.8-177179.400108.9N28 A32N28-E30 HydrophobicContact CB-CG 4.46Å; N28-E30 PolarHBondContact O-N 3.18Å; E30-A32 PolarHBondContact O-N 3.18Å
31I73.2Confident72.8Confident105 Ų10591.9 Ų91.954%0.53850%0.498SS..  trans-70.4128.3172.2-49174.7000106.6G29 Y33 V35 M40G29-I31 PolarHBondContact O-N 2.79Å; I31-Y33 WeakPolarHBondContact CB-O 3.13Å; I31-Y33 WeakPolarHBondContact CG2-O 3.41Å; I31-Y33 PolarHBondContact O-N 3.12Å; I31-V35 HydrophobicContact CD1-CG2 3.62Å; I31-M40 HydrophobicContact CG2-SD 4.46Å
32A78.3Confident73.6Confident66 Ų6689.2 Ų89.255%0.54548%0.484SS..SBendtrans-54.1-27.9-177.400000113.1E30 E49E30-A32 PolarHBondContact O-N 3.18Å; A32-E49 HydrophobicContact CB-CG 4.27Å
33Y80.4Confident74.8Confident25 Ų2594 Ų9410%0.09850%0.503CS..SBendtrans-135151177.2-46.4-67000110.2I31 V35 S37 M39 A45 E49I31-Y33 WeakPolarHBondContact CB-O 3.13Å; I31-Y33 WeakPolarHBondContact CG2-O 3.41Å; I31-Y33 PolarHBondContact O-N 3.12Å; Y33-V35 PolarHBondContact O-N 3.29Å; Y33-S37 WeakPolarHBondContact CB-OG 3.26Å; Y33-M39 HydrophobicContact CD1-CB 3.83Å; Y33-M39 HydrophobicContact CD1-CE 4.47Å; Y33-M39 HydrophobicContact CD1-SD 4.21Å; Y33-M39 HydrophobicContact CD2-CB 4.42Å; Y33-M39 HydrophobicContact CE1-CB 4.26Å; Y33-M39 HydrophobicContact CE1-CE 4.02Å; Y33-M39 HydrophobicContact CE1-SD 4.33Å; Y33-M39 HydrophobicContact CG-CB 3.93Å; Y33-A45 HydrophobicContact CE2-CB 4.38Å; Y33-A45 PolarHBondContact OH-O 3.37Å; Y33-E49 HydrophobicContact CE2-CG 4.01Å; Y33-E49 WeakPolarHBondContact OH-CG 3.33Å; Y33-E49 PolarHBondContact OH-OE1 3.3Å
34P81Confident76.1Confident96 Ų9698.3 Ų98.362%0.62353%0.526SS*.  trans-55.4140.2167.6-21.932.2000110.5D36 S37P34-D36 PolarHBondContact O-N 2.86Å; P34-D36 VanDerWaalsContact O-N 3.13Å; P34-S37 VanDerWaalsContact O-CB 3.25Å; P34-S37 WeakPolarHBondContact O-CB 3.43Å; P34-S37 PolarHBondContact O-N 2.83Å; P34-S37 PolarHBondContact O-OG 2.98Å
35V82Confident77.4Confident91 Ų9196.3 Ų96.355%0.55251%0.512SS*.THydrogen-bonded Turntrans-55.3-34.5-177.1-178.70000111.9I31 Y33 S37I31-V35 HydrophobicContact CD1-CG2 3.62Å; Y33-V35 PolarHBondContact O-N 3.29Å; V35-S37 VanDerWaalsContact C-N 3.34Å
36D83.3Confident78.8Confident162 Ų16294.1 Ų94.187%0.86650%0.501SS*.THydrogen-bonded Turntrans-88.20.4-178.7-57.3-31.5000113.6P34P34-D36 PolarHBondContact O-N 2.86Å; P34-D36 VanDerWaalsContact O-N 3.13Å
37S86.7Confident80.4Confident25 Ų2596.2 Ų96.218%0.17551%0.506CS..SBendtrans-76.4143.7-179.274.30000111.4Y33 P34 V35 M39 M40Y33-S37 WeakPolarHBondContact CB-OG 3.26Å; P34-S37 VanDerWaalsContact O-CB 3.25Å; P34-S37 WeakPolarHBondContact O-CB 3.43Å; P34-S37 PolarHBondContact O-N 2.83Å; P34-S37 PolarHBondContact O-OG 2.98Å; V35-S37 VanDerWaalsContact C-N 3.34Å; S37-M39 PolarHBondContact O-N 3.47Å; S37-M39 VanDerWaalsContact O-N 3.15Å; S37-M40 WeakPolarHBondContact O-CB 3.28Å; S37-M40 PolarHBondContact O-N 3.27Å; S37-M40 VanDerWaalsContact O-N 3.12Å; S37-M40 PolarHBondContact OG-N 3.31Å
38K86.4Confident82.1Confident191 Ų19195.7 Ų95.783%0.8351%0.511SS*.G310 helixtrans-59.6-25.7171.8-168.2179178.8-1750112.2M40 F41 D42K38-M40 VanDerWaalsContact C-N 3.26Å; K38-M40 PolarHBondContact O-N 3.4Å; K38-F41 PolarHBondContact O-N 2.92Å; K38-D42 PolarHBondContact O-N 3Å
39M84.3Confident83.2Confident102 Ų10293 Ų9350%0.50250%0.495SS..G310 helixtrans-65-29.1178.6-59.4-165.877.400112.6Y33 S37 F41 D42 A45Y33-M39 HydrophobicContact CD1-CB 3.83Å; Y33-M39 HydrophobicContact CD1-CE 4.47Å; Y33-M39 HydrophobicContact CD1-SD 4.21Å; Y33-M39 HydrophobicContact CD2-CB 4.42Å; Y33-M39 HydrophobicContact CE1-CB 4.26Å; Y33-M39 HydrophobicContact CE1-CE 4.02Å; Y33-M39 HydrophobicContact CE1-SD 4.33Å; Y33-M39 HydrophobicContact CG-CB 3.93Å; S37-M39 PolarHBondContact O-N 3.47Å; S37-M39 VanDerWaalsContact O-N 3.15Å; M39-F41 PolarHBondContact O-N 2.04Å; M39-D42 WeakPolarHBondContact O-CB 3.45Å; M39-D42 PolarHBondContact O-N 3.48Å; M39-A45 HydrophobicContact CE-CB 4.29Å
40M84.5Confident84.3Confident73 Ų7395.6 Ų95.636%0.3649%0.493SS..G310 helixtrans-58.5-32176.3-17063-155.600112.4I31 S37 K38 N46I31-M40 HydrophobicContact CG2-SD 4.46Å; S37-M40 WeakPolarHBondContact O-CB 3.28Å; S37-M40 PolarHBondContact O-N 3.27Å; S37-M40 VanDerWaalsContact O-N 3.12Å; S37-M40 PolarHBondContact OG-N 3.31Å; K38-M40 VanDerWaalsContact C-N 3.26Å; K38-M40 PolarHBondContact O-N 3.4Å; M40-N46 PolarHBondContact O-ND2 2.91Å
41F86Confident85.1Confident172 Ų17298.8 Ų98.875%0.75450%0.499SS*.G310 helixtrans-100.42.1178.9-57.6-75.6000113.4K38 M39K38-F41 PolarHBondContact O-N 2.92Å; M39-F41 PolarHBondContact O-N 2.04Å
42D90Very high85.6Confident71 Ų7199 Ų9938%0.3850%0.496SS..  trans-81.1123.8179.2-173.571.3000110.6K38 M39 E44 A45 N46K38-D42 PolarHBondContact O-N 3Å; M39-D42 WeakPolarHBondContact O-CB 3.45Å; M39-D42 PolarHBondContact O-N 3.48Å; D42-E44 PolarHBondContact OD2-N 3.43Å; D42-A45 HydrophobicContact CB-CB 3.96Å; D42-A45 WeakPolarHBondContact OD2-CB 3.35Å; D42-A45 PolarHBondContact OD2-N 2.72Å; D42-N46 WeakPolarHBondContact O-CB 3.28Å; D42-N46 PolarHBondContact O-N 2.95Å; D42-N46 VanDerWaalsContact O-N 3.17Å; D42-N46 PolarHBondContact O-ND2 3.15Å
43K91.3Very high85.7Confident145 Ų14599.1 Ų99.163%0.6349%0.487SS*.Hα-helixtrans-67-43.8-175.5-179.7-177.6169.2-1730111.5N46 E47K43-N46 PolarHBondContact O-N 3.39Å; K43-E47 WeakPolarHBondContact CE-OE1 3.45Å; K43-E47 HydrophobicContact CG-CG 4.43Å; K43-E47 IonicContact NZ-OE1 2.82Å; K43-E47 WeakPolarHBondContact O-CB 3.39Å; K43-E47 WeakPolarHBondContact O-CG 3.25Å; K43-E47 PolarHBondContact O-N 3.44Å
44E91.2Very high85.8Confident152 Ų152103.3 Ų103.371%0.7151%0.506SS*.Hα-helixtrans-68.1-42.1-175.1-63.8-178.5179.300111D42 E47 A48D42-E44 PolarHBondContact OD2-N 3.43Å; E44-E47 PolarHBondContact O-N 3.33Å; E44-A48 WeakPolarHBondContact O-CB 3.07Å; E44-A48 PolarHBondContact O-N 2.89Å
45A88.2Confident85.9Confident12 Ų12103.9 Ų103.910%0.09951%0.51CS..Hα-helixtrans-59-50.4173.500000111.5Y33 M39 D42 E47 A48 E49Y33-A45 HydrophobicContact CE2-CB 4.38Å; Y33-A45 PolarHBondContact OH-O 3.37Å; M39-A45 HydrophobicContact CE-CB 4.29Å; D42-A45 HydrophobicContact CB-CB 3.96Å; D42-A45 WeakPolarHBondContact OD2-CB 3.35Å; D42-A45 PolarHBondContact OD2-N 2.72Å; A45-E47 PolarHBondContact O-N 3.04Å; A45-A48 WeakPolarHBondContact O-CB 3.38Å; A45-A48 PolarHBondContact O-N 3.3Å; A45-E49 PolarHBondContact O-N 3.47Å
46N87.4Confident86Confident50 Ų50101 Ų10127%0.26749%0.49SS..Hα-helixtrans-62.7-41.7179.7-76.3-45000112.8M40 D42 K43 A48 E49 I50M40-N46 PolarHBondContact O-ND2 2.91Å; D42-N46 WeakPolarHBondContact O-CB 3.28Å; D42-N46 PolarHBondContact O-N 2.95Å; D42-N46 VanDerWaalsContact O-N 3.17Å; D42-N46 PolarHBondContact O-ND2 3.15Å; K43-N46 PolarHBondContact O-N 3.39Å; N46-A48 VanDerWaalsContact C-N 3.32Å; N46-A48 PolarHBondContact O-N 2.03Å; N46-E49 PolarHBondContact O-N 3.06Å; N46-I50 VanDerWaalsContact O-CG1 3.28Å; N46-I50 WeakPolarHBondContact O-CG1 3.42Å; N46-I50 PolarHBondContact O-N 3.47Å
47E90.2Very high86.1Confident106 Ų10696.7 Ų96.750%0.49547%0.47SS..Hα-helixtrans-64-37175.9-75.5-179.5174.500112.1K43 E44 A45 R51K43-E47 WeakPolarHBondContact CE-OE1 3.45Å; K43-E47 HydrophobicContact CG-CG 4.43Å; K43-E47 IonicContact NZ-OE1 2.82Å; K43-E47 WeakPolarHBondContact O-CB 3.39Å; K43-E47 WeakPolarHBondContact O-CG 3.25Å; K43-E47 PolarHBondContact O-N 3.44Å; E44-E47 PolarHBondContact O-N 3.33Å; A45-E47 PolarHBondContact O-N 3.04Å; E47-R51 WeakPolarHBondContact O-CB 3.09Å; E47-R51 PolarHBondContact O-N 3.37Å
48A87.9Confident86.2Confident50 Ų50101.9 Ų101.941%0.41350%0.495SS..Hα-helixtrans-64.8-40.1175.300000112.2E44 A45 N46 R51E44-A48 WeakPolarHBondContact O-CB 3.07Å; E44-A48 PolarHBondContact O-N 2.89Å; A45-A48 WeakPolarHBondContact O-CB 3.38Å; A45-A48 PolarHBondContact O-N 3.3Å; N46-A48 VanDerWaalsContact C-N 3.32Å; N46-A48 PolarHBondContact O-N 2.03Å; A48-R51 PolarHBondContact O-N 3.3Å
49E85Confident86.4Confident55 Ų5594 Ų9426%0.25746%0.462SS..Hα-helixtrans-68.3-45.3175-63.8-53.9140.700112.1A32 Y33 A45 N46 R51 K52 L53A32-E49 HydrophobicContact CB-CG 4.27Å; Y33-E49 HydrophobicContact CE2-CG 4.01Å; Y33-E49 WeakPolarHBondContact OH-CG 3.33Å; Y33-E49 PolarHBondContact OH-OE1 3.3Å; A45-E49 PolarHBondContact O-N 3.47Å; N46-E49 PolarHBondContact O-N 3.06Å; E49-R51 PolarHBondContact O-N 3.21Å; E49-K52 WeakPolarHBondContact O-CB 3.31Å; E49-K52 PolarHBondContact O-N 2.57Å; E49-K52 IonicContact OE1-NZ 2.59Å; E49-K52 PolarHBondContact OE1-NZ 3.08Å; E49-K52 WeakPolarHBondContact OE2-CD 3.44Å; E49-K52 IonicContact OE2-NZ 2.69Å; E49-K52 PolarHBondContact OE2-NZ 3.02Å; E49-L53 PolarHBondContact O-N 2.89Å
50I84.7Confident86.9Confident113 Ų11396 Ų9658%0.57947%0.474SS*.Hα-helixtrans-58-35.5177-68.6165.9000111N46 K52 L53N46-I50 VanDerWaalsContact O-CG1 3.28Å; N46-I50 WeakPolarHBondContact O-CG1 3.42Å; N46-I50 PolarHBondContact O-N 3.47Å; I50-K52 VanDerWaalsContact C-N 3.27Å; I50-K52 PolarHBondContact O-N 3.22Å; I50-L53 WeakPolarHBondContact O-CB 3.02Å; I50-L53 PolarHBondContact O-N 3.34Å; I50-L53 VanDerWaalsContact O-N 3.11Å
51R85.8Confident87.3Confident213 Ų21399.4 Ų99.480%0.80448%0.483SS*.Hα-helixtrans-66.4-26.4178.8-170.9173.4-179.1171.8-0.3113.5E47 A48 E49E47-R51 WeakPolarHBondContact O-CB 3.09Å; E47-R51 PolarHBondContact O-N 3.37Å; A48-R51 PolarHBondContact O-N 3.3Å; E49-R51 PolarHBondContact O-N 3.21Å
52K82.4Confident87.8Confident108 Ų10892.2 Ų92.247%0.4745%0.451SS..Hα-helixtrans-72.6-36.1173-59.7172.7-165165.60110.4N22 E49 I50 K54N22-K52 VanDerWaalsContact CG-O 3.31Å; N22-K52 PolarHBondContact ND2-O 3.05Å; N22-K52 PolarHBondContact OD1-O 3.41Å; N22-K52 VanDerWaalsContact OD1-O 3.05Å; E49-K52 WeakPolarHBondContact O-CB 3.31Å; E49-K52 PolarHBondContact O-N 2.57Å; E49-K52 IonicContact OE1-NZ 2.59Å; E49-K52 PolarHBondContact OE1-NZ 3.08Å; E49-K52 WeakPolarHBondContact OE2-CD 3.44Å; E49-K52 IonicContact OE2-NZ 2.69Å; E49-K52 PolarHBondContact OE2-NZ 3.02Å; I50-K52 VanDerWaalsContact C-N 3.27Å; I50-K52 PolarHBondContact O-N 3.22Å; K52-K54 PolarHBondContact O-N 3.19Å
53L81.1Confident88Confident69 Ų6994.3 Ų94.336%0.36147%0.466SS..  trans-60.9123.8179-58.2179.7000112.6N22 V26 E49 I50N22-L53 VanDerWaalsContact ND2-CA 3.32Å; N22-L53 WeakPolarHBondContact ND2-CA 3.39Å; V26-L53 HydrophobicContact CG2-CD2 3.75Å; E49-L53 PolarHBondContact O-N 2.89Å; I50-L53 WeakPolarHBondContact O-CB 3.02Å; I50-L53 PolarHBondContact O-N 3.34Å; I50-L53 VanDerWaalsContact O-N 3.11Å
54K82.8Confident88Confident113 Ų11390.5 Ų90.549%0.49145%0.451SS..  trans-106.7126.5173.1-63.3-60.4-179.3-174.50110.2W19 W23 K52W19-K54 HydrophobicContact CB-CB 3.94Å; W23-K54 PolarHBondContact NE1-O 3.36Å; K52-K54 PolarHBondContact O-N 3.19Å
55P82.9Confident88.1Confident109 Ų10995 Ų9571%0.70846%0.462SS*.PPolyproline II helixtrans-68.5143.6-179.629-34.4000110.8
56K84.1Confident88.3Confident31 Ų3198.8 Ų98.814%0.13548%0.483CS..PPolyproline II helixtrans-58.5143.7167.2174.7-166.8144.3166.40110.5W19 L99 D102 N103W19-K56 HydrophobicContact CD2-CB 4.08Å; W19-K56 HydrophobicContact CD2-CG 4.3Å; W19-K56 HydrophobicContact CE3-CB 3.7Å; W19-K56 HydrophobicContact CE3-CG 4.05Å; W19-K56 HydrophobicContact CH2-CB 4.31Å; W19-K56 HydrophobicContact CH2-CD 4.17Å; W19-K56 HydrophobicContact CH2-CG 3.75Å; W19-K56 HydrophobicContact CZ2-CG 4Å; W19-K56 HydrophobicContact CZ3-CB 3.82Å; W19-K56 HydrophobicContact CZ3-CD 4.25Å; W19-K56 HydrophobicContact CZ3-CG 3.77Å; K56-L99 HydrophobicContact CD-CD2 3.61Å; K56-L99 HydrophobicContact CG-CD2 3.91Å; K56-D102 WeakPolarHBondContact CD-OD2 3.38Å; K56-D102 IonicContact NZ-OD2 2.96Å; K56-N103 PolarHBondContact NZ-ND2 2.92Å; K56-N103 PolarHBondContact NZ-OD1 3.29Å
57P86Confident88.5Confident70 Ų70101.7 Ų101.746%0.45549%0.491SS..PPolyproline II helixtrans-62.6143.9173.426.3-35.3000112.8W19W19-P57 VanDerWaalsContact NE1-CD 3.33Å
58I87.8Confident88.7Confident134 Ų134101.9 Ų101.969%0.68750%0.499SS*.PPolyproline II helixtrans-73.9128.9175.4-59.7173.2000109.5L60I58-L60 HydrophobicContact CG2-CD2 4.38Å
59D91.5Very high89.1Confident26 Ų26106.8 Ų106.814%0.13951%0.511CS..  trans-92.1107.9172.7-171.4-21.5000110.4R61 F62 Y74D59-R61 PolarHBondContact O-N 2.59Å; D59-R61 VanDerWaalsContact O-N 3.11Å; D59-R61 VanDerWaalsContact OD1-CB 3.24Å; D59-R61 WeakPolarHBondContact OD1-CB 3.39Å; D59-R61 VanDerWaalsContact OD1-CG 3.28Å; D59-R61 WeakPolarHBondContact OD1-CG 3.34Å; D59-R61 IonicContact OD1-CZ 2.78Å; D59-R61 PolarHBondContact OD1-N 2.78Å; D59-R61 IonicContact OD1-NE 2.94Å; D59-R61 PolarHBondContact OD1-NE 2.97Å; D59-R61 IonicContact OD1-NH2 3.42Å; D59-R61 IonicContact OD2-CZ 2.66Å; D59-R61 IonicContact OD2-NE 3.89Å; D59-R61 PolarHBondContact OD2-NE 3.42Å; D59-R61 IonicContact OD2-NH2 3.56Å; D59-R61 PolarHBondContact OD2-NH2 3.31Å; D59-F62 HydrophobicContact CB-CD2 4.1Å; D59-F62 CarbonylContact O-C 3.53Å; D59-F62 PolarHBondContact O-N 3.1Å; D59-F62 WeakPolarHBondContact OD2-CD2 3.3Å; D59-F62 WeakPolarHBondContact OD2-CE2 3Å; D59-Y74 WeakPolarHBondContact CB-OH 3.03Å; D59-Y74 VanDerWaalsContact CG-OH 3.24Å; D59-Y74 WeakPolarHBondContact OD2-CE1 3.42Å; D59-Y74 PolarHBondContact OD2-OH 3.32Å
60L93.7Very high89.6Confident145 Ų145104.1 Ų104.176%0.75950%0.499SS*.THydrogen-bonded Turntrans-66-10.8-177.1-58.9177.9000113.7I58 T63I58-L60 HydrophobicContact CG2-CD2 4.38Å; L60-T63 WeakPolarHBondContact O-CG2 3.16Å
61R94.3Very high90.1Very high143 Ų14399 Ų9954%0.5447%0.473SS..THydrogen-bonded Turntrans-72.9-21171.2-55.9175.5-62.8166.92.8112D59D59-R61 PolarHBondContact O-N 2.59Å; D59-R61 VanDerWaalsContact O-N 3.11Å; D59-R61 VanDerWaalsContact OD1-CB 3.24Å; D59-R61 WeakPolarHBondContact OD1-CB 3.39Å; D59-R61 VanDerWaalsContact OD1-CG 3.28Å; D59-R61 WeakPolarHBondContact OD1-CG 3.34Å; D59-R61 IonicContact OD1-CZ 2.78Å; D59-R61 PolarHBondContact OD1-N 2.78Å; D59-R61 IonicContact OD1-NE 2.94Å; D59-R61 PolarHBondContact OD1-NE 2.97Å; D59-R61 IonicContact OD1-NH2 3.42Å; D59-R61 IonicContact OD2-CZ 2.66Å; D59-R61 IonicContact OD2-NE 3.89Å; D59-R61 PolarHBondContact OD2-NE 3.42Å; D59-R61 IonicContact OD2-NH2 3.56Å; D59-R61 PolarHBondContact OD2-NH2 3.31Å
62F94.6Very high90.5Very high22 Ų2292.6 Ų92.610%0.09645%0.451CS..  trans-127.166.1-173-54.9-59.9000110.8D59 K69 A70 T73 Y74D59-F62 HydrophobicContact CB-CD2 4.1Å; D59-F62 CarbonylContact O-C 3.53Å; D59-F62 PolarHBondContact O-N 3.1Å; D59-F62 WeakPolarHBondContact OD2-CD2 3.3Å; D59-F62 WeakPolarHBondContact OD2-CE2 3Å; F62-K69 HydrophobicContact CD1-CB 4.25Å; F62-K69 HydrophobicContact CE1-CB 4.11Å; F62-A70 HydrophobicContact CB-CB 4Å; F62-A70 HydrophobicContact CD1-CB 4.21Å; F62-A70 HydrophobicContact CD2-CB 3.53Å; F62-A70 HydrophobicContact CE2-CB 4.01Å; F62-A70 HydrophobicContact CG-CB 3.65Å; F62-T73 HydrophobicContact CE2-CG2 4.41Å; F62-T73 HydrophobicContact CZ-CG2 3.86Å; F62-T73 WeakPolarHBondContact CZ-OG1 3.34Å; F62-Y74 HydrophobicContact CE2-CE1 4.33Å
63T94.7Very high91.2Very high114 Ų11489.2 Ų89.270%0.69944%0.44SS*.  trans-81.7-15.4-178.855.60000113.7L60L60-T63 WeakPolarHBondContact O-CG2 3.16Å
64Q92.4Very high91.8Very high66 Ų6686.1 Ų86.131%0.30842%0.423SS..SBendtrans-68.2152.7178.673-66.2-34.400112.2T66Q64-T66 WeakPolarHBondContact CG-O 3.49Å; Q64-T66 WeakPolarHBondContact CG-OG1 3.5Å; Q64-T66 PolarHBondContact NE2-O 2.63Å; Q64-T66 PolarHBondContact O-N 2.94Å
65R93.1Very high92.4Very high246 Ų24680.7 Ų80.793%0.92840%0.4SS*.SBendtrans-58.3-32.2178.6-69.4-174.5-74.8173.2-3.2113.3
66T92.8Very high93Very high91 Ų9175.8 Ų75.856%0.55837%0.368SS*.  trans-80.5127.5-179.356.10000111.6Q64Q64-T66 WeakPolarHBondContact CG-O 3.49Å; Q64-T66 WeakPolarHBondContact CG-OG1 3.5Å; Q64-T66 PolarHBondContact NE2-O 2.63Å; Q64-T66 PolarHBondContact O-N 2.94Å
67R91.6Very high93.5Very high112 Ų11275.6 Ų75.642%0.42337%0.368SS..  trans-93.7-1.4-178-61.6-63-173.4154.52.9114.5K69 A70 C71R67-K69 PolarHBondContact O-N 3.17Å; R67-A70 WeakPolarHBondContact O-CB 3.32Å; R67-A70 PolarHBondContact O-N 3.46Å; R67-C71 PolarHBondContact O-N 3.21Å
68T94.3Very high93.9Very high109 Ų10973.8 Ų73.867%0.66935%0.352SS*.Hα-helixtrans-55-47-176.1-43.60000113.3A70 C71 F72T68-A70 VanDerWaalsContact C-N 3.34Å; T68-A70 PolarHBondContact O-N 2.85Å; T68-C71 PolarHBondContact O-N 2.83Å; T68-F72 PolarHBondContact O-N 3.45Å
69K94.8Very high94.2Very high153 Ų15368.9 Ų68.967%0.66533%0.326SS*.Hα-helixtrans-65.9-36.8177.9-73.7-173.3177-178.60112.4F62 R67 T73F62-K69 HydrophobicContact CD1-CB 4.25Å; F62-K69 HydrophobicContact CE1-CB 4.11Å; R67-K69 PolarHBondContact O-N 3.17Å; K69-T73 VanDerWaalsContact O-CB 3.28Å; K69-T73 WeakPolarHBondContact O-CB 3.41Å; K69-T73 PolarHBondContact O-N 3.42Å; K69-T73 PolarHBondContact O-OG1 3.45Å
70A95.3Very high94.4Very high0 Ų071 Ų710%033%0.332CS..Hα-helixtrans-65.9-49.9177.900000110.3F62 R67 T68 F72 T73 Y74F62-A70 HydrophobicContact CB-CB 4Å; F62-A70 HydrophobicContact CD1-CB 4.21Å; F62-A70 HydrophobicContact CD2-CB 3.53Å; F62-A70 HydrophobicContact CE2-CB 4.01Å; F62-A70 HydrophobicContact CG-CB 3.65Å; R67-A70 WeakPolarHBondContact O-CB 3.32Å; R67-A70 PolarHBondContact O-N 3.46Å; T68-A70 VanDerWaalsContact C-N 3.34Å; T68-A70 PolarHBondContact O-N 2.85Å; A70-F72 PolarHBondContact O-N 2.86Å; A70-T73 PolarHBondContact O-N 3.37Å; A70-Y74 HydrophobicContact CB-CD2 4.39Å; A70-Y74 HydrophobicContact CB-CE2 3.83Å; A70-Y74 WeakPolarHBondContact O-CD2 3.2Å; A70-Y74 VanDerWaalsContact O-CG 3.27Å; A70-Y74 PolarHBondContact O-N 2.94Å
71C95.2Very high94.4Very high6 Ų664.8 Ų64.84%0.04130%0.301CS..Hα-helixtrans-51.2-57174.4161.80000111.7R67 T68 T73 Y74 Y75 N103 C104R67-C71 PolarHBondContact O-N 3.21Å; T68-C71 PolarHBondContact O-N 2.83Å; C71-T73 VanDerWaalsContact C-N 3.33Å; C71-T73 PolarHBondContact O-N 3.1Å; C71-Y74 PolarHBondContact O-N 3.04Å; C71-Y75 PolarHBondContact O-N 2.87Å; C71-N103 HydrophobicContact CB-CB 4.23Å; C71-C104 VanDerWaalsContact C-SG 3.57Å; C71-C104 WeakPolarHBondContact CA-SG 3.47Å; C71-C104 HydrophobicContact CB-CB 4.14Å; C71-C104 WeakPolarHBondContact CB-SG 3.28Å; C71-C104 WeakPolarHBondContact SG-CA 3.44Å; C71-C104 WeakPolarHBondContact SG-CB 2.95Å; C71-C104 CovalentContact SG-SG 2.03Å; C71-C104 PolarHBondContact SG-SG 3.17Å
72F95.7Very high94.3Very high77 Ų7760.5 Ų60.534%0.33829%0.288SS..Hα-helixtrans-59.5-42.4-179.7-178.3-104.9000112.5T68 A70 Y75 V76 W112 F121 A123T68-F72 PolarHBondContact O-N 3.45Å; A70-F72 PolarHBondContact O-N 2.86Å; F72-Y75 PolarHBondContact O-N 3.31Å; F72-V76 HydrophobicContact CD1-CG2 4.36Å; F72-V76 HydrophobicContact CD2-CG2 4.39Å; F72-V76 HydrophobicContact CE1-CG2 4.01Å; F72-V76 HydrophobicContact CE2-CG2 4.04Å; F72-V76 HydrophobicContact CZ-CG2 3.85Å; F72-V76 WeakPolarHBondContact O-CG2 3.48Å; F72-V76 PolarHBondContact O-N 3.23Å; F72-W112 HydrophobicContact CB-CH2 4.09Å; F72-W112 AromaticContact CD2-CH2 3.87Å; F72-W112 HydrophobicContact CD2-CH2 3.87Å; F72-W112 AromaticContact CD2-CZ2 3.96Å; F72-W112 HydrophobicContact CD2-CZ2 3.96Å; F72-W112 HydrophobicContact CD2-CZ3 4.41Å; F72-W112 HydrophobicContact CG-CH2 4.5Å; F72-F121 HydrophobicContact CE2-CE1 4.48Å; F72-F121 AromaticContact CE2-CZ 3.83Å; F72-F121 HydrophobicContact CE2-CZ 3.83Å; F72-A123 HydrophobicContact CZ-CB 3.9Å
73T95.5Very high94Very high38 Ų3864.2 Ų64.223%0.23331%0.309CS..Hα-helixtrans-65.4-42.7179.8-57.60000111.9F62 K69 A70 C71 N77F62-T73 HydrophobicContact CE2-CG2 4.41Å; F62-T73 HydrophobicContact CZ-CG2 3.86Å; F62-T73 WeakPolarHBondContact CZ-OG1 3.34Å; K69-T73 VanDerWaalsContact O-CB 3.28Å; K69-T73 WeakPolarHBondContact O-CB 3.41Å; K69-T73 PolarHBondContact O-N 3.42Å; K69-T73 PolarHBondContact O-OG1 3.45Å; A70-T73 PolarHBondContact O-N 3.37Å; C71-T73 VanDerWaalsContact C-N 3.33Å; C71-T73 PolarHBondContact O-N 3.1Å; T73-N77 VanDerWaalsContact O-CB 3.28Å; T73-N77 WeakPolarHBondContact O-CB 3.42Å; T73-N77 PolarHBondContact O-N 2.84Å; T73-N77 PolarHBondContact O-ND2 3.3Å; T73-N77 PolarHBondContact O-OD1 3.13Å
74Y94.8Very high93.8Very high3 Ų364 Ų641%0.01230%0.303CS..Hα-helixtrans-66.7-39.9178.1-62.2-44.6000112.2D59 F62 A70 C71 N77 Y78 F96 L99 N103D59-Y74 WeakPolarHBondContact CB-OH 3.03Å; D59-Y74 VanDerWaalsContact CG-OH 3.24Å; D59-Y74 WeakPolarHBondContact OD2-CE1 3.42Å; D59-Y74 PolarHBondContact OD2-OH 3.32Å; F62-Y74 HydrophobicContact CE2-CE1 4.33Å; A70-Y74 HydrophobicContact CB-CD2 4.39Å; A70-Y74 HydrophobicContact CB-CE2 3.83Å; A70-Y74 WeakPolarHBondContact O-CD2 3.2Å; A70-Y74 VanDerWaalsContact O-CG 3.27Å; A70-Y74 PolarHBondContact O-N 2.94Å; C71-Y74 PolarHBondContact O-N 3.04Å; Y74-N77 PolarHBondContact O-N 3.41Å; Y74-Y78 PolarHBondContact O-N 3.38Å; Y74-F96 HydrophobicContact CD1-CD1 4.46Å; Y74-L99 HydrophobicContact CD1-CB 3.98Å; Y74-L99 HydrophobicContact CD1-CD1 3.91Å; Y74-L99 HydrophobicContact CD2-CB 3.86Å; Y74-L99 HydrophobicContact CE1-CB 4.37Å; Y74-L99 HydrophobicContact CE1-CD1 3.88Å; Y74-L99 HydrophobicContact CE2-CB 4.24Å; Y74-L99 HydrophobicContact CG-CB 3.73Å; Y74-N103 HydrophobicContact CD2-CB 4.46Å
75Y95.8Very high93.6Very high0 Ų064.6 Ų64.60%030%0.304CS..Hα-helixtrans-61.3-52.2176.2-177.9-97.8000111.1C71 F72 N77 Y78 H79 Y100 V109 W112 D113 I116 F121C71-Y75 PolarHBondContact O-N 2.87Å; F72-Y75 PolarHBondContact O-N 3.31Å; Y75-N77 VanDerWaalsContact C-N 3.31Å; Y75-N77 PolarHBondContact O-N 3.21Å; Y75-Y78 WeakPolarHBondContact O-CB 3.43Å; Y75-Y78 PolarHBondContact O-N 2.93Å; Y75-Y78 VanDerWaalsContact O-N 3.15Å; Y75-H79 AromaticContact CD1-CD2 3.98Å; Y75-H79 AromaticContact CD2-NE2 3.98Å; Y75-H79 AromaticContact CE1-CD2 3.67Å; Y75-H79 AromaticContact CE1-NE2 3.75Å; Y75-H79 AromaticContact CE2-CD2 3.86Å; Y75-H79 AromaticContact CE2-NE2 3.3Å; Y75-H79 VanDerWaalsContact CE2-NE2 3.3Å; Y75-H79 WeakPolarHBondContact CE2-NE2 3.4Å; Y75-H79 AromaticContact CZ-CD2 3.61Å; Y75-H79 AromaticContact CZ-NE2 3.17Å; Y75-H79 PolarHBondContact O-CD2 2.66Å; Y75-H79 VanDerWaalsContact O-CD2 3.3Å; Y75-H79 PolarHBondContact O-N 3.21Å; Y75-H79 PolarHBondContact OH-NE2 2.83Å; Y75-Y100 HydrophobicContact CD2-CD2 4.1Å; Y75-Y100 HydrophobicContact CD2-CE2 4.26Å; Y75-Y100 HydrophobicContact CD2-CG 4.28Å; Y75-V109 HydrophobicContact CD2-CG1 4.46Å; Y75-V109 HydrophobicContact CE2-CG1 4.01Å; Y75-W112 HydrophobicContact CD1-CD2 4.27Å; Y75-W112 AromaticContact CD1-CE3 3.47Å; Y75-W112 HydrophobicContact CD1-CE3 3.47Å; Y75-W112 VanDerWaalsContact CD1-CE3 3.47Å; Y75-W112 HydrophobicContact CD1-CZ3 4.04Å; Y75-W112 AromaticContact CD2-CE3 3.94Å; Y75-W112 HydrophobicContact CD2-CE3 3.94Å; Y75-W112 HydrophobicContact CD2-CZ3 4.44Å; Y75-W112 HydrophobicContact CE1-CB 3.65Å; Y75-W112 HydrophobicContact CE1-CD2 4.24Å; Y75-W112 AromaticContact CE1-CE3 3.79Å; Y75-W112 HydrophobicContact CE1-CE3 3.79Å; Y75-W112 HydrophobicContact CE1-CG 4.26Å; Y75-W112 HydrophobicContact CE2-CB 4.36Å; Y75-W112 HydrophobicContact CE2-CE3 4.23Å; Y75-W112 AromaticContact CG-CE3 3.54Å; Y75-W112 HydrophobicContact CG-CE3 3.54Å; Y75-W112 AromaticContact CG-CZ3 3.86Å; Y75-W112 HydrophobicContact CG-CZ3 3.86Å; Y75-W112 VanDerWaalsContact OH-C 3.26Å; Y75-W112 WeakPolarHBondContact OH-CB 3.17Å; Y75-D113 WeakPolarHBondContact CE2-OD1 3.48Å; Y75-D113 PolarHBondContact OH-N 3.14Å; Y75-D113 PolarHBondContact OH-OD1 2.94Å; Y75-I116 HydrophobicContact CE1-CD1 3.87Å; Y75-I116 WeakPolarHBondContact OH-CD1 3.49Å; Y75-F121 HydrophobicContact CD1-CE2 4.46Å; Y75-F121 AromaticContact CD1-CZ 4Å; Y75-F121 HydrophobicContact CD1-CZ 4Å; Y75-F121 AromaticContact CE1-CE2 3.92Å; Y75-F121 HydrophobicContact CE1-CE2 3.92Å; Y75-F121 AromaticContact CE1-CZ 3.81Å; Y75-F121 HydrophobicContact CE1-CZ 3.81Å
76V95.6Very high93Very high6 Ų656 Ų564%0.03628%0.282CS..Hα-helixtrans-59.2-42176.6172.60000111.5F72 Y78 H79 R80 F121 A123 L125F72-V76 HydrophobicContact CD1-CG2 4.36Å; F72-V76 HydrophobicContact CD2-CG2 4.39Å; F72-V76 HydrophobicContact CE1-CG2 4.01Å; F72-V76 HydrophobicContact CE2-CG2 4.04Å; F72-V76 HydrophobicContact CZ-CG2 3.85Å; F72-V76 WeakPolarHBondContact O-CG2 3.48Å; F72-V76 PolarHBondContact O-N 3.23Å; V76-Y78 VanDerWaalsContact C-N 3.33Å; V76-Y78 PolarHBondContact O-N 3.44Å; V76-H79 PolarHBondContact O-N 3.33Å; V76-R80 HydrophobicContact CG1-CG 4.14Å; V76-R80 VanDerWaalsContact O-CB 3.26Å; V76-R80 WeakPolarHBondContact O-CB 3.28Å; V76-R80 VanDerWaalsContact O-CG 3.28Å; V76-R80 WeakPolarHBondContact O-CG 3.41Å; V76-R80 PolarHBondContact O-N 3.09Å; V76-F121 HydrophobicContact CG2-CE1 4.08Å; V76-F121 HydrophobicContact CG2-CZ 4.27Å; V76-A123 HydrophobicContact CG2-CB 4.04Å; V76-L125 HydrophobicContact CG1-CD2 4.25Å
77N94.6Very high92.5Very high27 Ų2758.5 Ų58.514%0.14429%0.287CS..Hα-helixtrans-63.6-36.9178.3-73.7-13.8000112.8T73 Y74 Y75 C81 F96T73-N77 VanDerWaalsContact O-CB 3.28Å; T73-N77 WeakPolarHBondContact O-CB 3.42Å; T73-N77 PolarHBondContact O-N 2.84Å; T73-N77 PolarHBondContact O-ND2 3.3Å; T73-N77 PolarHBondContact O-OD1 3.13Å; Y74-N77 PolarHBondContact O-N 3.41Å; Y75-N77 VanDerWaalsContact C-N 3.31Å; Y75-N77 PolarHBondContact O-N 3.21Å; N77-C81 WeakPolarHBondContact O-CB 3.37Å; N77-C81 PolarHBondContact O-N 2.83Å; N77-F96 HydrophobicContact CB-CD1 3.69Å; N77-F96 HydrophobicContact CB-CD2 4.31Å; N77-F96 HydrophobicContact CB-CE1 3.86Å; N77-F96 HydrophobicContact CB-CE2 4.44Å; N77-F96 HydrophobicContact CB-CG 3.94Å; N77-F96 HydrophobicContact CB-CZ 4.23Å
78Y94.5Very high91.8Very high31 Ų3162 Ų6212%0.12231%0.306CS..Hα-helixtrans-60.7-54.6174.9170.5-106.6000110.8Y74 Y75 V76 R80 C81 M82 C93 K97 Y100Y74-Y78 PolarHBondContact O-N 3.38Å; Y75-Y78 WeakPolarHBondContact O-CB 3.43Å; Y75-Y78 PolarHBondContact O-N 2.93Å; Y75-Y78 VanDerWaalsContact O-N 3.15Å; V76-Y78 VanDerWaalsContact C-N 3.33Å; V76-Y78 PolarHBondContact O-N 3.44Å; Y78-R80 VanDerWaalsContact C-N 3.34Å; Y78-R80 PolarHBondContact O-N 3.32Å; Y78-C81 WeakPolarHBondContact O-CB 3.17Å; Y78-C81 PolarHBondContact O-N 3.36Å; Y78-C81 VanDerWaalsContact O-N 3.13Å; Y78-M82 HydrophobicContact CD2-CG 4.19Å; Y78-M82 HydrophobicContact CE1-CG 4.25Å; Y78-M82 HydrophobicContact CE2-CG 3.81Å; Y78-M82 HydrophobicContact CE2-SD 4.08Å; Y78-M82 VanDerWaalsContact O-CG 3.31Å; Y78-M82 WeakPolarHBondContact O-CG 3.17Å; Y78-M82 PolarHBondContact O-N 3.11Å; Y78-C93 HydrophobicContact CD2-CB 4.37Å; Y78-K97 HydrophobicContact CD2-CB 3.78Å; Y78-K97 HydrophobicContact CD2-CG 4.3Å; Y78-K97 HydrophobicContact CE2-CB 3.74Å; Y78-K97 HydrophobicContact CE2-CD 4.07Å; Y78-K97 HydrophobicContact CE2-CG 3.91Å; Y78-Y100 HydrophobicContact CD1-CD1 4.45Å; Y78-Y100 AromaticContact CD1-CE1 3.64Å; Y78-Y100 HydrophobicContact CD1-CE1 3.64Å; Y78-Y100 HydrophobicContact CD2-CE1 4.27Å; Y78-Y100 HydrophobicContact CE1-CE1 4.19Å; Y78-Y100 HydrophobicContact CG-CD1 4.19Å; Y78-Y100 AromaticContact CG-CE1 3.68Å; Y78-Y100 HydrophobicContact CG-CE1 3.68Å
79H94.3Very high91.3Very high31 Ų3160.2 Ų60.214%0.14429%0.292CS..Hα-helixtrans-62.8-40.1180-73.6-80.4000112.6Y75 V76 C81 M82 N83 D113 L125Y75-H79 AromaticContact CD1-CD2 3.98Å; Y75-H79 AromaticContact CD2-NE2 3.98Å; Y75-H79 AromaticContact CE1-CD2 3.67Å; Y75-H79 AromaticContact CE1-NE2 3.75Å; Y75-H79 AromaticContact CE2-CD2 3.86Å; Y75-H79 AromaticContact CE2-NE2 3.3Å; Y75-H79 VanDerWaalsContact CE2-NE2 3.3Å; Y75-H79 WeakPolarHBondContact CE2-NE2 3.4Å; Y75-H79 AromaticContact CZ-CD2 3.61Å; Y75-H79 AromaticContact CZ-NE2 3.17Å; Y75-H79 PolarHBondContact O-CD2 2.66Å; Y75-H79 VanDerWaalsContact O-CD2 3.3Å; Y75-H79 PolarHBondContact O-N 3.21Å; Y75-H79 PolarHBondContact OH-NE2 2.83Å; V76-H79 PolarHBondContact O-N 3.33Å; H79-C81 PolarHBondContact O-N 3.1Å; H79-M82 PolarHBondContact O-N 3.38Å; H79-N83 VanDerWaalsContact O-CG 3.26Å; H79-N83 PolarHBondContact O-N 3.09Å; H79-N83 PolarHBondContact O-ND2 3.04Å; H79-D113 IonicContact NE2-OD1 3.2Å; H79-L125 HydrophobicContact CB-CD1 4.18Å; H79-L125 HydrophobicContact CB-CD2 3.93Å; H79-L125 HydrophobicContact CB-CG 4.47Å
80R93.9Very high90.8Very high70 Ų7055.5 Ų55.526%0.26427%0.271SS..Hα-helixtrans-61.5-42.2173.1-79.7-175.7-177.8173.9-0.5112.7V76 Y78 N83 L84 N124 Y127V76-R80 HydrophobicContact CG1-CG 4.14Å; V76-R80 VanDerWaalsContact O-CB 3.26Å; V76-R80 WeakPolarHBondContact O-CB 3.28Å; V76-R80 VanDerWaalsContact O-CG 3.28Å; V76-R80 WeakPolarHBondContact O-CG 3.41Å; V76-R80 PolarHBondContact O-N 3.09Å; Y78-R80 VanDerWaalsContact C-N 3.34Å; Y78-R80 PolarHBondContact O-N 3.32Å; R80-N83 PolarHBondContact O-N 3.32Å; R80-L84 WeakPolarHBondContact O-CB 3.43Å; R80-L84 PolarHBondContact O-N 3.19Å; R80-N124 PolarHBondContact NE-O 3.25Å; R80-N124 PolarHBondContact NH2-O 3.39Å; R80-Y127 HydrophobicContact CB-CD2 4.19Å; R80-Y127 HydrophobicContact CB-CE2 3.54Å; R80-Y127 HydrophobicContact CG-CE2 4.15Å
81C93.8Very high90.3Very high15 Ų1563.1 Ų63.110%0.10131%0.307CS..Hα-helixtrans-63.1-45.9176.8-174.90000110.8N77 Y78 H79 N83 L84 K85 C93 F96N77-C81 WeakPolarHBondContact O-CB 3.37Å; N77-C81 PolarHBondContact O-N 2.83Å; Y78-C81 WeakPolarHBondContact O-CB 3.17Å; Y78-C81 PolarHBondContact O-N 3.36Å; Y78-C81 VanDerWaalsContact O-N 3.13Å; H79-C81 PolarHBondContact O-N 3.1Å; C81-N83 VanDerWaalsContact C-N 3.26Å; C81-N83 PolarHBondContact O-N 2.85Å; C81-L84 PolarHBondContact O-N 3.13Å; C81-K85 WeakPolarHBondContact O-CB 3.16Å; C81-K85 WeakPolarHBondContact O-CG 3.43Å; C81-K85 PolarHBondContact O-N 2.99Å; C81-C93 HydrophobicContact CB-CB 3.8Å; C81-C93 WeakPolarHBondContact CB-SG 3.29Å; C81-C93 WeakPolarHBondContact SG-CA 3.35Å; C81-C93 WeakPolarHBondContact SG-CB 3.46Å; C81-C93 CovalentContact SG-SG 2.04Å; C81-C93 PolarHBondContact SG-SG 3.32Å; C81-F96 HydrophobicContact CB-CD2 4.18Å; C81-F96 HydrophobicContact CB-CE2 4.44Å
82M92Very high89.8Confident53 Ų5366.8 Ų66.826%0.26133%0.326SS..Hα-helixtrans-61.1-33.6177.7-69.7-62.7-69.400113Y78 H79 K90 C93Y78-M82 HydrophobicContact CD2-CG 4.19Å; Y78-M82 HydrophobicContact CE1-CG 4.25Å; Y78-M82 HydrophobicContact CE2-CG 3.81Å; Y78-M82 HydrophobicContact CE2-SD 4.08Å; Y78-M82 VanDerWaalsContact O-CG 3.31Å; Y78-M82 WeakPolarHBondContact O-CG 3.17Å; Y78-M82 PolarHBondContact O-N 3.11Å; H79-M82 PolarHBondContact O-N 3.38Å; M82-K90 HydrophobicContact CE-CD 3.8Å; M82-K90 HydrophobicContact CE-CG 4.34Å; M82-K90 HydrophobicContact SD-CB 4.29Å; M82-K90 HydrophobicContact SD-CD 4.25Å; M82-K90 HydrophobicContact SD-CG 4.13Å; M82-C93 HydrophobicContact CG-CB 4.39Å; M82-C93 HydrophobicContact SD-CB 3.91Å
83N90Very high89.5Confident101 Ų10163.1 Ų63.154%0.5431%0.31SS..Hα-helixtrans-79-30.7177.1-69.5-18.1000113.6H79 R80 C81 L125H79-N83 VanDerWaalsContact O-CG 3.26Å; H79-N83 PolarHBondContact O-N 3.09Å; H79-N83 PolarHBondContact O-ND2 3.04Å; R80-N83 PolarHBondContact O-N 3.32Å; C81-N83 VanDerWaalsContact C-N 3.26Å; C81-N83 PolarHBondContact O-N 2.85Å; N83-L125 PolarHBondContact ND2-O 3.12Å
84L89.9Confident89.2Confident110 Ų11065 Ų6558%0.57632%0.316SS*.Hα-helixtrans-84.3-37.8-177.4-174.564.4000113.1R80 C81 Y127R80-L84 WeakPolarHBondContact O-CB 3.43Å; R80-L84 PolarHBondContact O-N 3.19Å; C81-L84 PolarHBondContact O-N 3.13Å; L84-Y127 HydrophobicContact CB-CD2 3.85Å; L84-Y127 HydrophobicContact CB-CE2 4.21Å; L84-Y127 HydrophobicContact CD1-CD2 4.18Å; L84-Y127 HydrophobicContact CD1-CG 4.44Å; L84-Y127 HydrophobicContact CD2-CD2 4Å; L84-Y127 HydrophobicContact CD2-CE2 3.95Å; L84-Y127 HydrophobicContact CG-CD2 4.23Å
85K87.8Confident88.8Confident78 Ų7867.8 Ų67.834%0.33933%0.331SS..SBendtrans-84.6144-170-69.8-67.2-166155.90111.6C81 D89C81-K85 WeakPolarHBondContact O-CB 3.16Å; C81-K85 WeakPolarHBondContact O-CG 3.43Å; C81-K85 PolarHBondContact O-N 2.99Å; K85-D89 HydrophobicContact CB-CB 4.14Å; K85-D89 HydrophobicContact CD-CB 3.81Å; K85-D89 HydrophobicContact CG-CB 4.37Å
86S81.4Confident88.6Confident64 Ų6470.3 Ų70.345%0.44834%0.342SS..  trans-69.4160.5170.380.60000110.4K88 D89 K90S86-K88 PolarHBondContact O-N 2.98Å; S86-D89 PolarHBondContact O-N 3.28Å; S86-D89 PolarHBondContact OG-OD2 3.25Å; S86-K90 PolarHBondContact O-N 3.22Å
87E81Confident88.4Confident145 Ų14572 Ų7268%0.67835%0.349SS*.G310 helixtrans-50.3-34.5-177.3-164.862.2-137.500113.2D89 K90E87-D89 VanDerWaalsContact C-N 3.33Å; E87-D89 PolarHBondContact O-N 3.41Å; E87-K90 IonicContact OE1-NZ 3.94Å; E87-K90 WeakPolarHBondContact OE2-CE 3.47Å; E87-K90 IonicContact OE2-NZ 3.95Å; E87-K90 PolarHBondContact OE2-NZ 3.27Å
88K77.8Confident88.1Confident186 Ų18671.4 Ų71.481%0.80935%0.348SS*.G310 helixtrans-73.9-21-177.8-62.7-174.8180-178.20114.2S86S86-K88 PolarHBondContact O-N 2.98Å
89D82.8Confident87.9Confident71 Ų7170.5 Ų70.538%0.3835%0.345SS..G310 helixtrans-107.23.5-174.1-53.4-54.5000112.7K85 S86 E87 E91 D92K85-D89 HydrophobicContact CB-CB 4.14Å; K85-D89 HydrophobicContact CD-CB 3.81Å; K85-D89 HydrophobicContact CG-CB 4.37Å; S86-D89 PolarHBondContact O-N 3.28Å; S86-D89 PolarHBondContact OG-OD2 3.25Å; E87-D89 VanDerWaalsContact C-N 3.33Å; E87-D89 PolarHBondContact O-N 3.41Å; D89-E91 PolarHBondContact O-N 2.89Å; D89-D92 PolarHBondContact O-N 3.16Å
90K85.1Confident87.8Confident53 Ų5369.7 Ų69.723%0.2334%0.341CS..G310 helixtrans-65.7-20.8-179.2-74.3178.9176.3176.60113.1M82 S86 E87 D92 C93M82-K90 HydrophobicContact CE-CD 3.8Å; M82-K90 HydrophobicContact CE-CG 4.34Å; M82-K90 HydrophobicContact SD-CB 4.29Å; M82-K90 HydrophobicContact SD-CD 4.25Å; M82-K90 HydrophobicContact SD-CG 4.13Å; S86-K90 PolarHBondContact O-N 3.22Å; E87-K90 IonicContact OE1-NZ 3.94Å; E87-K90 WeakPolarHBondContact OE2-CE 3.47Å; E87-K90 IonicContact OE2-NZ 3.95Å; E87-K90 PolarHBondContact OE2-NZ 3.27Å; K90-D92 PolarHBondContact O-N 3.45Å; K90-C93 VanDerWaalsContact O-CB 3.25Å; K90-C93 WeakPolarHBondContact O-CB 3.37Å; K90-C93 PolarHBondContact O-N 3.37Å
91E84.8Confident87.6Confident160 Ų16072.3 Ų72.375%0.74835%0.351SS*.G310 helixtrans-57.7-30.9175.5-65-174.5177.500112.8D89 C93 E94D89-E91 PolarHBondContact O-N 2.89Å; E91-C93 VanDerWaalsContact C-N 3.25Å; E91-C93 PolarHBondContact O-N 2.91Å; E91-E94 WeakPolarHBondContact O-CB 3.17Å; E91-E94 PolarHBondContact O-N 2.72Å
92D84.8Confident87.3Confident84 Ų8474.7 Ų74.745%0.44936%0.363SS..G310 helixtrans-70.2-24.1175.9-77.5-24.1000112.6K17 D89 K90 E94K17-D92 IonicContact NZ-OD1 3.14Å; D89-D92 PolarHBondContact O-N 3.16Å; K90-D92 PolarHBondContact O-N 3.45Å; D92-E94 VanDerWaalsContact C-N 3.28Å; D92-E94 PolarHBondContact O-N 3.46Å
93C90.2Very high87.2Confident0 Ų073.4 Ų73.40%036%0.356CS..G310 helixtrans-73.5-20.8177.9-53.40000112.4Y78 C81 M82 K90 E91 L95 F96 K97Y78-C93 HydrophobicContact CD2-CB 4.37Å; C81-C93 HydrophobicContact CB-CB 3.8Å; C81-C93 WeakPolarHBondContact CB-SG 3.29Å; C81-C93 WeakPolarHBondContact SG-CA 3.35Å; C81-C93 WeakPolarHBondContact SG-CB 3.46Å; C81-C93 CovalentContact SG-SG 2.04Å; C81-C93 PolarHBondContact SG-SG 3.32Å; M82-C93 HydrophobicContact CG-CB 4.39Å; M82-C93 HydrophobicContact SD-CB 3.91Å; K90-C93 VanDerWaalsContact O-CB 3.25Å; K90-C93 WeakPolarHBondContact O-CB 3.37Å; K90-C93 PolarHBondContact O-N 3.37Å; E91-C93 VanDerWaalsContact C-N 3.25Å; E91-C93 PolarHBondContact O-N 2.91Å; C93-L95 PolarHBondContact O-N 3.5Å; C93-L95 VanDerWaalsContact O-N 3.14Å; C93-F96 PolarHBondContact O-N 2.84Å; C93-K97 PolarHBondContact O-N 3.33Å
94E88Confident87.3Confident77 Ų7769.2 Ų69.236%0.3634%0.335SS..Hα-helixtrans-59.7-25.1177-70.3-66.6136.100112.1M20 E91 D92 K97 A98M20-E94 VanDerWaalsContact CE-C 3.47Å; M20-E94 HydrophobicContact CE-CB 4.16Å; M20-E94 WeakPolarHBondContact CE-O 3.08Å; E91-E94 WeakPolarHBondContact O-CB 3.17Å; E91-E94 PolarHBondContact O-N 2.72Å; D92-E94 VanDerWaalsContact C-N 3.28Å; D92-E94 PolarHBondContact O-N 3.46Å; E94-K97 WeakPolarHBondContact O-CB 3.48Å; E94-K97 PolarHBondContact O-N 3.31Å; E94-K97 WeakPolarHBondContact OE1-CD 3.45Å; E94-K97 IonicContact OE1-NZ 3.22Å; E94-K97 PolarHBondContact OE1-NZ 3.05Å; E94-K97 WeakPolarHBondContact OE2-CD 3.47Å; E94-K97 IonicContact OE2-NZ 3.01Å; E94-K97 PolarHBondContact OE2-NZ 3.11Å; E94-K97 VanDerWaalsContact OE2-NZ 3.14Å; E94-A98 PolarHBondContact O-N 3.39Å
95L87.3Confident87.5Confident61 Ų6167.8 Ų67.832%0.31933%0.332SS..Hα-helixtrans-58.6-49.7171.1175.764.9000111.4W19 M20 C93 K97 A98 L99W19-L95 HydrophobicContact CZ2-CD1 4Å; M20-L95 VanDerWaalsContact CE-CA 3.49Å; M20-L95 HydrophobicContact CE-CB 4.28Å; M20-L95 HydrophobicContact CG-CD1 4.46Å; M20-L95 HydrophobicContact SD-CB 4.12Å; M20-L95 HydrophobicContact SD-CD1 3.54Å; M20-L95 VanDerWaalsContact SD-CD1 3.54Å; M20-L95 HydrophobicContact SD-CG 4.45Å; C93-L95 PolarHBondContact O-N 3.5Å; C93-L95 VanDerWaalsContact O-N 3.14Å; L95-K97 PolarHBondContact O-N 3.42Å; L95-A98 PolarHBondContact O-N 3.42Å; L95-L99 HydrophobicContact CD1-CD1 4.14Å; L95-L99 HydrophobicContact CD1-CG 4.38Å; L95-L99 HydrophobicContact CG-CD1 3.96Å; L95-L99 WeakPolarHBondContact O-CB 3.37Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 3.14Å
96F91.2Very high87.7Confident54 Ų5473.3 Ų73.324%0.23735%0.351CS..Hα-helixtrans-65.6-32.7178.7-64.9-61.4000111.5Y74 N77 C81 C93 L99 Y100Y74-F96 HydrophobicContact CD1-CD1 4.46Å; N77-F96 HydrophobicContact CB-CD1 3.69Å; N77-F96 HydrophobicContact CB-CD2 4.31Å; N77-F96 HydrophobicContact CB-CE1 3.86Å; N77-F96 HydrophobicContact CB-CE2 4.44Å; N77-F96 HydrophobicContact CB-CG 3.94Å; N77-F96 HydrophobicContact CB-CZ 4.23Å; C81-F96 HydrophobicContact CB-CD2 4.18Å; C81-F96 HydrophobicContact CB-CE2 4.44Å; C93-F96 PolarHBondContact O-N 2.84Å; F96-L99 HydrophobicContact CD1-CD1 4.27Å; F96-L99 PolarHBondContact O-N 3.28Å; F96-Y100 WeakPolarHBondContact O-CD1 3.39Å; F96-Y100 PolarHBondContact O-N 3.49Å
97K90.7Very high88.3Confident40 Ų4077.7 Ų77.717%0.17436%0.364CS..Hα-helixtrans-62.3-49.9175.9-160.5-169.7-169.31740113Y78 C93 E94 L95 L99 Y100 R101Y78-K97 HydrophobicContact CD2-CB 3.78Å; Y78-K97 HydrophobicContact CD2-CG 4.3Å; Y78-K97 HydrophobicContact CE2-CB 3.74Å; Y78-K97 HydrophobicContact CE2-CD 4.07Å; Y78-K97 HydrophobicContact CE2-CG 3.91Å; C93-K97 PolarHBondContact O-N 3.33Å; E94-K97 WeakPolarHBondContact O-CB 3.48Å; E94-K97 PolarHBondContact O-N 3.31Å; E94-K97 WeakPolarHBondContact OE1-CD 3.45Å; E94-K97 IonicContact OE1-NZ 3.22Å; E94-K97 PolarHBondContact OE1-NZ 3.05Å; E94-K97 WeakPolarHBondContact OE2-CD 3.47Å; E94-K97 IonicContact OE2-NZ 3.01Å; E94-K97 PolarHBondContact OE2-NZ 3.11Å; E94-K97 VanDerWaalsContact OE2-NZ 3.14Å; L95-K97 PolarHBondContact O-N 3.42Å; K97-L99 VanDerWaalsContact C-N 3.31Å; K97-L99 PolarHBondContact O-N 2.91Å; K97-Y100 HydrophobicContact CB-CE1 4.02Å; K97-Y100 HydrophobicContact CG-CE1 3.77Å; K97-R101 WeakPolarHBondContact O-CB 3.32Å; K97-R101 VanDerWaalsContact O-CG 3.28Å; K97-R101 WeakPolarHBondContact O-CG 3.31Å; K97-R101 PolarHBondContact O-N 3.24Å; K97-R101 VanDerWaalsContact O-N 3.11Å
98A88.5Confident88.9Confident15 Ų1572.9 Ų72.912%0.12435%0.345CS..Hα-helixtrans-60.4-42.1174.200000111.4W19 M20 E94 L95 D102W19-A98 HydrophobicContact CH2-CB 3.81Å; W19-A98 HydrophobicContact CZ3-CB 4.22Å; M20-A98 HydrophobicContact CB-CB 4.42Å; M20-A98 HydrophobicContact CE-CB 4.22Å; M20-A98 HydrophobicContact CG-CB 4.02Å; E94-A98 PolarHBondContact O-N 3.39Å; L95-A98 PolarHBondContact O-N 3.42Å; A98-D102 WeakPolarHBondContact O-CB 2.81Å; A98-D102 PolarHBondContact O-N 3.35Å; A98-D102 VanDerWaalsContact O-N 3.13Å
99L90.7Very high89.7Confident13 Ų1364.9 Ų64.97%0.06831%0.312CS..Hα-helixtrans-65.1-43.9-178.9-70.8169.2000113.6W19 K56 Y74 L95 F96 K97 N103W19-L99 HydrophobicContact CH2-CD2 3.67Å; W19-L99 HydrophobicContact CH2-CG 4.03Å; W19-L99 HydrophobicContact CZ2-CD2 3.78Å; W19-L99 HydrophobicContact CZ2-CG 4.17Å; K56-L99 HydrophobicContact CD-CD2 3.61Å; K56-L99 HydrophobicContact CG-CD2 3.91Å; Y74-L99 HydrophobicContact CD1-CB 3.98Å; Y74-L99 HydrophobicContact CD1-CD1 3.91Å; Y74-L99 HydrophobicContact CD2-CB 3.86Å; Y74-L99 HydrophobicContact CE1-CB 4.37Å; Y74-L99 HydrophobicContact CE1-CD1 3.88Å; Y74-L99 HydrophobicContact CE2-CB 4.24Å; Y74-L99 HydrophobicContact CG-CB 3.73Å; L95-L99 HydrophobicContact CD1-CD1 4.14Å; L95-L99 HydrophobicContact CD1-CG 4.38Å; L95-L99 HydrophobicContact CG-CD1 3.96Å; L95-L99 WeakPolarHBondContact O-CB 3.37Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 3.14Å; F96-L99 HydrophobicContact CD1-CD1 4.27Å; F96-L99 PolarHBondContact O-N 3.28Å; K97-L99 VanDerWaalsContact C-N 3.31Å; K97-L99 PolarHBondContact O-N 2.91Å; L99-N103 PolarHBondContact O-N 3.48Å; L99-N103 PolarHBondContact O-ND2 3.18Å
100Y92.2Very high90.3Very high14 Ų1466 Ų666%0.05532%0.315CS..Hα-helixtrans-73.5-38.3179.582-110.9000111.2Y75 Y78 F96 K97 D102 N103 C104 V109Y75-Y100 HydrophobicContact CD2-CD2 4.1Å; Y75-Y100 HydrophobicContact CD2-CE2 4.26Å; Y75-Y100 HydrophobicContact CD2-CG 4.28Å; Y78-Y100 HydrophobicContact CD1-CD1 4.45Å; Y78-Y100 AromaticContact CD1-CE1 3.64Å; Y78-Y100 HydrophobicContact CD1-CE1 3.64Å; Y78-Y100 HydrophobicContact CD2-CE1 4.27Å; Y78-Y100 HydrophobicContact CE1-CE1 4.19Å; Y78-Y100 HydrophobicContact CG-CD1 4.19Å; Y78-Y100 AromaticContact CG-CE1 3.68Å; Y78-Y100 HydrophobicContact CG-CE1 3.68Å; F96-Y100 WeakPolarHBondContact O-CD1 3.39Å; F96-Y100 PolarHBondContact O-N 3.49Å; K97-Y100 HydrophobicContact CB-CE1 4.02Å; K97-Y100 HydrophobicContact CG-CE1 3.77Å; Y100-D102 VanDerWaalsContact C-N 3.26Å; Y100-D102 PolarHBondContact O-N 3.35Å; Y100-N103 PolarHBondContact O-N 3.25Å; Y100-N103 VanDerWaalsContact O-N 3.09Å; Y100-C104 WeakPolarHBondContact O-CB 3.38Å; Y100-C104 PolarHBondContact O-N 3.35Å; Y100-C104 PolarHBondContact O-SG 3.05Å; Y100-V109 HydrophobicContact CD2-CG1 4.49Å; Y100-V109 HydrophobicContact CD2-CG2 4.09Å; Y100-V109 HydrophobicContact CE2-CG1 3.87Å; Y100-V109 HydrophobicContact CE2-CG2 4.24Å
101R89.5Confident90.8Very high125 Ų12568.5 Ų68.547%0.47233%0.326SS..Hα-helixtrans-59.5-36.8176.2-75.1-179.8175.3-165.4-5.7112.7L27 K97L27-R101 HydrophobicContact CD1-CB 4.28Å; L27-R101 HydrophobicContact CD2-CB 4.1Å; K97-R101 WeakPolarHBondContact O-CB 3.32Å; K97-R101 VanDerWaalsContact O-CG 3.28Å; K97-R101 WeakPolarHBondContact O-CG 3.31Å; K97-R101 PolarHBondContact O-N 3.24Å; K97-R101 VanDerWaalsContact O-N 3.11Å
102D87.3Confident91.4Very high65 Ų6562.6 Ų62.635%0.34830%0.296SS..Hα-helixtrans-73.2-28.1176.1173.773.3000113.5K56 A98 Y100K56-D102 WeakPolarHBondContact CD-OD2 3.38Å; K56-D102 IonicContact NZ-OD2 2.96Å; A98-D102 WeakPolarHBondContact O-CB 2.81Å; A98-D102 PolarHBondContact O-N 3.35Å; A98-D102 VanDerWaalsContact O-N 3.13Å; Y100-D102 VanDerWaalsContact C-N 3.26Å; Y100-D102 PolarHBondContact O-N 3.35Å
103N90Very high91.9Very high25 Ų2561.9 Ų61.913%0.13429%0.293CS..Hα-helixtrans-105.8-19.3-171.5-73.8-113.7000114.1K56 C71 Y74 L99 Y100K56-N103 PolarHBondContact NZ-ND2 2.92Å; K56-N103 PolarHBondContact NZ-OD1 3.29Å; C71-N103 HydrophobicContact CB-CB 4.23Å; Y74-N103 HydrophobicContact CD2-CB 4.46Å; L99-N103 PolarHBondContact O-N 3.48Å; L99-N103 PolarHBondContact O-ND2 3.18Å; Y100-N103 PolarHBondContact O-N 3.25Å; Y100-N103 VanDerWaalsContact O-N 3.09Å
104C92.8Very high92.2Very high13 Ų1367.7 Ų67.79%0.08832%0.32CS..SBendtrans-103.9136.1-174.1-62.50000111.4C71 Y100 V109C71-C104 VanDerWaalsContact C-SG 3.57Å; C71-C104 WeakPolarHBondContact CA-SG 3.47Å; C71-C104 HydrophobicContact CB-CB 4.14Å; C71-C104 WeakPolarHBondContact CB-SG 3.28Å; C71-C104 WeakPolarHBondContact SG-CA 3.44Å; C71-C104 WeakPolarHBondContact SG-CB 2.95Å; C71-C104 CovalentContact SG-SG 2.03Å; C71-C104 PolarHBondContact SG-SG 3.17Å; Y100-C104 WeakPolarHBondContact O-CB 3.38Å; Y100-C104 PolarHBondContact O-N 3.35Å; Y100-C104 PolarHBondContact O-SG 3.05Å; C104-V109 HydrophobicContact CB-CG2 3.56Å
105P93.8Very high92.6Very high80 Ų8067.5 Ų67.552%0.51932%0.316SS..  trans-58.4139.9164.8-20.332.3000110.8E107 T108 V109P105-E107 VanDerWaalsContact C-N 3.35Å; P105-E107 PolarHBondContact O-N 3.01Å; P105-T108 WeakPolarHBondContact O-CB 3.46Å; P105-T108 PolarHBondContact O-N 3.35Å; P105-T108 VanDerWaalsContact O-N 3.1Å; P105-V109 PolarHBondContact O-N 3.47Å
106R91.6Very high92.9Very high194 Ų19466.6 Ų66.673%0.73231%0.311SS*.Hα-helixtrans-56.3-46.8-177.8-172-175.7-121.6176.81.6112.3T108 V109 E110R106-T108 PolarHBondContact O-N 3.2Å; R106-V109 WeakPolarHBondContact O-CB 3.34Å; R106-V109 PolarHBondContact O-N 3.47Å; R106-E110 WeakPolarHBondContact CD-OE1 3Å; R106-E110 HydrophobicContact CG-CG 4.39Å; R106-E110 WeakPolarHBondContact CG-OE1 3.41Å; R106-E110 PolarHBondContact O-N 3.32Å
107E94.3Very high93.1Very high156 Ų15668.1 Ų68.173%0.72933%0.334SS*.Hα-helixtrans-57.1-34.2178.9-60.9174.4-17800113P105 K111P105-E107 VanDerWaalsContact C-N 3.35Å; P105-E107 PolarHBondContact O-N 3.01Å; E107-K111 WeakPolarHBondContact O-CB 3.5Å; E107-K111 PolarHBondContact O-N 3.06Å; E107-K111 VanDerWaalsContact O-N 3.13Å
108T93.6Very high93.3Very high45 Ų4570.4 Ų70.428%0.27635%0.345SS..Hα-helixtrans-71.1-39.8178.4-60.10000111.3P105 R106 W112P105-T108 WeakPolarHBondContact O-CB 3.46Å; P105-T108 PolarHBondContact O-N 3.35Å; P105-T108 VanDerWaalsContact O-N 3.1Å; R106-T108 PolarHBondContact O-N 3.2Å; T108-W112 HydrophobicContact CG2-CD2 3.88Å; T108-W112 VanDerWaalsContact CG2-CE2 3.43Å; T108-W112 HydrophobicContact CG2-CE3 4.16Å; T108-W112 HydrophobicContact CG2-CH2 3.66Å; T108-W112 HydrophobicContact CG2-CZ2 3.33Å; T108-W112 HydrophobicContact CG2-CZ3 4.06Å; T108-W112 PolarHBondContact O-N 3.47Å
109V94.8Very high93.5Very high17 Ų1777.2 Ų77.210%0.10338%0.379CS..Hα-helixtrans-66.1-48.1177.3177.10000110.2Y75 Y100 C104 P105 R106 K111 W112 D113Y75-V109 HydrophobicContact CD2-CG1 4.46Å; Y75-V109 HydrophobicContact CE2-CG1 4.01Å; Y100-V109 HydrophobicContact CD2-CG1 4.49Å; Y100-V109 HydrophobicContact CD2-CG2 4.09Å; Y100-V109 HydrophobicContact CE2-CG1 3.87Å; Y100-V109 HydrophobicContact CE2-CG2 4.24Å; C104-V109 HydrophobicContact CB-CG2 3.56Å; P105-V109 PolarHBondContact O-N 3.47Å; R106-V109 WeakPolarHBondContact O-CB 3.34Å; R106-V109 PolarHBondContact O-N 3.47Å; V109-K111 VanDerWaalsContact C-N 3.32Å; V109-K111 PolarHBondContact O-N 2.95Å; V109-W112 PolarHBondContact O-N 3.44Å; V109-W112 VanDerWaalsContact O-N 3.09Å; V109-D113 VanDerWaalsContact O-CG 3.3Å; V109-D113 PolarHBondContact O-N 2.97Å
110E95.2Very high93.6Very high96 Ų9683.9 Ų83.945%0.44940%0.404SS..Hα-helixtrans-56.6-46.5178.2-70.9169.7177.400111.3R106 W112 D113 E114R106-E110 WeakPolarHBondContact CD-OE1 3Å; R106-E110 HydrophobicContact CG-CG 4.39Å; R106-E110 WeakPolarHBondContact CG-OE1 3.41Å; R106-E110 PolarHBondContact O-N 3.32Å; E110-W112 VanDerWaalsContact C-N 3.34Å; E110-W112 PolarHBondContact O-N 3.2Å; E110-D113 PolarHBondContact O-N 2.82Å; E110-E114 WeakPolarHBondContact O-CG 3.43Å; E110-E114 PolarHBondContact O-N 3.25Å
111K96.2Very high93.7Very high105 Ų10584.4 Ų84.446%0.45741%0.406SS..Hα-helixtrans-62.1-38.7175.9-170.8-179.7-167.3-174.50113.3E107 V109 W115E107-K111 WeakPolarHBondContact O-CB 3.5Å; E107-K111 PolarHBondContact O-N 3.06Å; E107-K111 VanDerWaalsContact O-N 3.13Å; V109-K111 VanDerWaalsContact C-N 3.32Å; V109-K111 PolarHBondContact O-N 2.95Å; K111-W115 HydrophobicContact CD-CH2 4.46Å; K111-W115 HydrophobicContact CD-CZ2 3.97Å; K111-W115 HydrophobicContact CG-CD2 4.49Å; K111-W115 HydrophobicContact CG-CZ2 4.13Å; K111-W115 VanDerWaalsContact O-CG 3.25Å; K111-W115 PolarHBondContact O-N 3.26Å; K111-W115 VanDerWaalsContact O-N 3.08Å
112W96.1Very high93.9Very high35 Ų3583.4 Ų83.413%0.13342%0.416CS..Hα-helixtrans-70.1-37176.5-68.6-14.5000111.8F72 Y75 T108 V109 E110 E114 W115 I116 F121F72-W112 HydrophobicContact CB-CH2 4.09Å; F72-W112 AromaticContact CD2-CH2 3.87Å; F72-W112 HydrophobicContact CD2-CH2 3.87Å; F72-W112 AromaticContact CD2-CZ2 3.96Å; F72-W112 HydrophobicContact CD2-CZ2 3.96Å; F72-W112 HydrophobicContact CD2-CZ3 4.41Å; F72-W112 HydrophobicContact CG-CH2 4.5Å; Y75-W112 HydrophobicContact CD1-CD2 4.27Å; Y75-W112 AromaticContact CD1-CE3 3.47Å; Y75-W112 HydrophobicContact CD1-CE3 3.47Å; Y75-W112 VanDerWaalsContact CD1-CE3 3.47Å; Y75-W112 HydrophobicContact CD1-CZ3 4.04Å; Y75-W112 AromaticContact CD2-CE3 3.94Å; Y75-W112 HydrophobicContact CD2-CE3 3.94Å; Y75-W112 HydrophobicContact CD2-CZ3 4.44Å; Y75-W112 HydrophobicContact CE1-CB 3.65Å; Y75-W112 HydrophobicContact CE1-CD2 4.24Å; Y75-W112 AromaticContact CE1-CE3 3.79Å; Y75-W112 HydrophobicContact CE1-CE3 3.79Å; Y75-W112 HydrophobicContact CE1-CG 4.26Å; Y75-W112 HydrophobicContact CE2-CB 4.36Å; Y75-W112 HydrophobicContact CE2-CE3 4.23Å; Y75-W112 AromaticContact CG-CE3 3.54Å; Y75-W112 HydrophobicContact CG-CE3 3.54Å; Y75-W112 AromaticContact CG-CZ3 3.86Å; Y75-W112 HydrophobicContact CG-CZ3 3.86Å; Y75-W112 VanDerWaalsContact OH-C 3.26Å; Y75-W112 WeakPolarHBondContact OH-CB 3.17Å; T108-W112 HydrophobicContact CG2-CD2 3.88Å; T108-W112 VanDerWaalsContact CG2-CE2 3.43Å; T108-W112 HydrophobicContact CG2-CE3 4.16Å; T108-W112 HydrophobicContact CG2-CH2 3.66Å; T108-W112 HydrophobicContact CG2-CZ2 3.33Å; T108-W112 HydrophobicContact CG2-CZ3 4.06Å; T108-W112 PolarHBondContact O-N 3.47Å; V109-W112 PolarHBondContact O-N 3.44Å; V109-W112 VanDerWaalsContact O-N 3.09Å; E110-W112 VanDerWaalsContact C-N 3.34Å; E110-W112 PolarHBondContact O-N 3.2Å; W112-E114 VanDerWaalsContact C-N 3.33Å; W112-W115 AromaticContact CD1-CE3 3.63Å; W112-W115 AromaticContact CD1-CZ3 3.7Å; W112-W115 AromaticContact NE1-CZ3 3.9Å; W112-W115 PolarHBondContact O-N 3.42Å; W112-I116 WeakPolarHBondContact O-CG1 3.04Å; W112-I116 PolarHBondContact O-N 3.01Å; W112-F121 HydrophobicContact CB-CD2 4.34Å; W112-F121 HydrophobicContact CB-CE2 3.84Å; W112-F121 AromaticContact CD1-CE2 3.99Å; W112-F121 HydrophobicContact CD2-CE2 4.24Å; W112-F121 AromaticContact CG-CE2 3.75Å; W112-F121 HydrophobicContact CG-CE2 3.75Å
113D95.4Very high94.1Very high70 Ų7081.3 Ų81.337%0.37441%0.408SS..Hα-helixtrans-63.2-40.7175.3-69.3-19.5000110.8Y75 H79 V109 E110 I116 A117Y75-D113 WeakPolarHBondContact CE2-OD1 3.48Å; Y75-D113 PolarHBondContact OH-N 3.14Å; Y75-D113 PolarHBondContact OH-OD1 2.94Å; H79-D113 IonicContact NE2-OD1 3.2Å; V109-D113 VanDerWaalsContact O-CG 3.3Å; V109-D113 PolarHBondContact O-N 2.97Å; E110-D113 PolarHBondContact O-N 2.82Å; D113-I116 PolarHBondContact O-N 3.41Å; D113-A117 PolarHBondContact O-N 2.87Å
114E96.8Very high94.2Very high121 Ų12184.9 Ų84.957%0.56543%0.427SS*.Hα-helixtrans-58.4-49170-70.9172.7-177.300111.7E110 W112 I116 A117 E118E110-E114 WeakPolarHBondContact O-CG 3.43Å; E110-E114 PolarHBondContact O-N 3.25Å; W112-E114 VanDerWaalsContact C-N 3.33Å; E114-I116 VanDerWaalsContact C-N 3.27Å; E114-I116 PolarHBondContact O-N 3.17Å; E114-A117 WeakPolarHBondContact O-CB 3.38Å; E114-A117 PolarHBondContact O-N 3.3Å; E114-A117 VanDerWaalsContact O-N 3.1Å; E114-E118 WeakPolarHBondContact O-CG 3.36Å; E114-E118 PolarHBondContact O-N 3.28Å
115W96.1Very high94.1Very high74 Ų7485.3 Ų85.328%0.2843%0.428SS..Hα-helixtrans-63.4-31.5178.8-67.8-6.7000113.4K111 W112 D119 R120 F121K111-W115 HydrophobicContact CD-CH2 4.46Å; K111-W115 HydrophobicContact CD-CZ2 3.97Å; K111-W115 HydrophobicContact CG-CD2 4.49Å; K111-W115 HydrophobicContact CG-CZ2 4.13Å; K111-W115 VanDerWaalsContact O-CG 3.25Å; K111-W115 PolarHBondContact O-N 3.26Å; K111-W115 VanDerWaalsContact O-N 3.08Å; W112-W115 AromaticContact CD1-CE3 3.63Å; W112-W115 AromaticContact CD1-CZ3 3.7Å; W112-W115 AromaticContact NE1-CZ3 3.9Å; W112-W115 PolarHBondContact O-N 3.42Å; W115-D119 PolarHBondContact O-N 2.91Å; W115-R120 PolarHBondContact O-N 3.39Å; W115-F121 HydrophobicContact CB-CB 4.41Å; W115-F121 HydrophobicContact CB-CD2 4.24Å; W115-F121 HydrophobicContact CE3-CD2 4.26Å; W115-F121 PolarHBondContact O-N 3.47Å
116I94.7Very high93.6Very high41 Ų4189.1 Ų89.121%0.2144%0.436CS..Hα-helixtrans-69.1-44.4172.6-70.2177.6000110.1Y75 W112 D113 E114 E118 D119 F121 L125Y75-I116 HydrophobicContact CE1-CD1 3.87Å; Y75-I116 WeakPolarHBondContact OH-CD1 3.49Å; W112-I116 WeakPolarHBondContact O-CG1 3.04Å; W112-I116 PolarHBondContact O-N 3.01Å; D113-I116 PolarHBondContact O-N 3.41Å; E114-I116 VanDerWaalsContact C-N 3.27Å; E114-I116 PolarHBondContact O-N 3.17Å; I116-E118 PolarHBondContact O-N 3.23Å; I116-D119 PolarHBondContact O-N 3.05Å; I116-D119 VanDerWaalsContact O-N 3.12Å; I116-F121 HydrophobicContact CG1-CB 3.81Å; I116-F121 HydrophobicContact CG1-CD1 4.43Å; I116-F121 HydrophobicContact CG1-CD2 4.04Å; I116-F121 HydrophobicContact CG1-CG 3.84Å; I116-L125 HydrophobicContact CD1-CD1 3.51Å; I116-L125 HydrophobicContact CG1-CD1 3.7Å; I116-L125 HydrophobicContact CG2-CD1 4.37Å
117A94.4Very high92.5Very high87 Ų8789.1 Ų89.172%0.71944%0.438SS*.Hα-helixtrans-63.5-31.217800000112.8D113 E114 D119D113-A117 PolarHBondContact O-N 2.87Å; E114-A117 WeakPolarHBondContact O-CB 3.38Å; E114-A117 PolarHBondContact O-N 3.3Å; E114-A117 VanDerWaalsContact O-N 3.1Å; A117-D119 VanDerWaalsContact C-N 3.35Å
118E95.2Very high92.4Very high88 Ų8885.8 Ų85.841%0.41142%0.423SS..THydrogen-bonded Turntrans-88.34.3176.1-62.6175.4117.900114E114 I116 R120E114-E118 WeakPolarHBondContact O-CG 3.36Å; E114-E118 PolarHBondContact O-N 3.28Å; I116-E118 PolarHBondContact O-N 3.23Å; E118-R120 HydrophobicContact CB-CG 4.13Å; E118-R120 WeakPolarHBondContact O-CG 3.25Å; E118-R120 PolarHBondContact O-N 3.2Å; E118-R120 IonicContact OE1-CZ 2.69Å; E118-R120 IonicContact OE1-NH1 3.72Å; E118-R120 PolarHBondContact OE1-NH1 2.69Å; E118-R120 IonicContact OE1-NH2 3.56Å; E118-R120 PolarHBondContact OE1-NH2 3Å; E118-R120 IonicContact OE2-CZ 3.36Å; E118-R120 IonicContact OE2-NE 3.94Å; E118-R120 IonicContact OE2-NH1 2.84Å; E118-R120 PolarHBondContact OE2-NH1 2.87Å; E118-R120 IonicContact OE2-NH2 3.66Å; E118-R120 PolarHBondContact OE2-NH2 3.45Å
119D92Very high92.3Very high157 Ų15787.9 Ų87.984%0.8443%0.431SS*.THydrogen-bonded Turntrans55.527.1-174.6-72.5-49.9000114.4W115 I116 A117W115-D119 PolarHBondContact O-N 2.91Å; I116-D119 PolarHBondContact O-N 3.05Å; I116-D119 VanDerWaalsContact O-N 3.12Å; A117-D119 VanDerWaalsContact C-N 3.35Å
120R94.1Very high92.2Very high154 Ų15491.8 Ų91.858%0.58145%0.449SS*.  trans-103.83.4-179.6-60.5-155-63.9-95.56.1114.5W115 E118W115-R120 PolarHBondContact O-N 3.39Å; E118-R120 HydrophobicContact CB-CG 4.13Å; E118-R120 WeakPolarHBondContact O-CG 3.25Å; E118-R120 PolarHBondContact O-N 3.2Å; E118-R120 IonicContact OE1-CZ 2.69Å; E118-R120 IonicContact OE1-NH1 3.72Å; E118-R120 PolarHBondContact OE1-NH1 2.69Å; E118-R120 IonicContact OE1-NH2 3.56Å; E118-R120 PolarHBondContact OE1-NH2 3Å; E118-R120 IonicContact OE2-CZ 3.36Å; E118-R120 IonicContact OE2-NE 3.94Å; E118-R120 IonicContact OE2-NH1 2.84Å; E118-R120 PolarHBondContact OE2-NH1 2.87Å; E118-R120 IonicContact OE2-NH2 3.66Å; E118-R120 PolarHBondContact OE2-NH2 3.45Å
121F94.3Very high92Very high25 Ų2591.6 Ų91.611%0.1145%0.449CS..  trans-66.3129.2-176.6-167-105.4000111.9F72 Y75 V76 W112 W115 I116 A123 L125F72-F121 HydrophobicContact CE2-CE1 4.48Å; F72-F121 AromaticContact CE2-CZ 3.83Å; F72-F121 HydrophobicContact CE2-CZ 3.83Å; Y75-F121 HydrophobicContact CD1-CE2 4.46Å; Y75-F121 AromaticContact CD1-CZ 4Å; Y75-F121 HydrophobicContact CD1-CZ 4Å; Y75-F121 AromaticContact CE1-CE2 3.92Å; Y75-F121 HydrophobicContact CE1-CE2 3.92Å; Y75-F121 AromaticContact CE1-CZ 3.81Å; Y75-F121 HydrophobicContact CE1-CZ 3.81Å; V76-F121 HydrophobicContact CG2-CE1 4.08Å; V76-F121 HydrophobicContact CG2-CZ 4.27Å; W112-F121 HydrophobicContact CB-CD2 4.34Å; W112-F121 HydrophobicContact CB-CE2 3.84Å; W112-F121 AromaticContact CD1-CE2 3.99Å; W112-F121 HydrophobicContact CD2-CE2 4.24Å; W112-F121 AromaticContact CG-CE2 3.75Å; W112-F121 HydrophobicContact CG-CE2 3.75Å; W115-F121 HydrophobicContact CB-CB 4.41Å; W115-F121 HydrophobicContact CB-CD2 4.24Å; W115-F121 HydrophobicContact CE3-CD2 4.26Å; W115-F121 PolarHBondContact O-N 3.47Å; I116-F121 HydrophobicContact CG1-CB 3.81Å; I116-F121 HydrophobicContact CG1-CD1 4.43Å; I116-F121 HydrophobicContact CG1-CD2 4.04Å; I116-F121 HydrophobicContact CG1-CG 3.84Å; F121-A123 VanDerWaalsContact C-N 3.33Å; F121-A123 HydrophobicContact CD1-CB 3.92Å; F121-A123 HydrophobicContact CE1-CB 3.46Å; F121-A123 VanDerWaalsContact CE1-CB 3.46Å; F121-A123 HydrophobicContact CZ-CB 4.41Å; F121-A123 PolarHBondContact O-N 3.15Å; F121-L125 HydrophobicContact CD1-CD1 3.92Å; F121-L125 HydrophobicContact CD1-CD2 3.92Å; F121-L125 HydrophobicContact CD1-CG 3.92Å; F121-L125 HydrophobicContact CE1-CD1 4.47Å; F121-L125 HydrophobicContact CE1-CD2 3.78Å; F121-L125 HydrophobicContact CE1-CG 4.31Å
122P92.8Very high91.7Very high103 Ų10390.8 Ų90.867%0.66945%0.449SS*.SBendtrans-74.4-17.3-169.227.8-36.2000114.8
123A92.4Very high91.5Very high22 Ų2294.5 Ų94.518%0.18247%0.47CS..SBendtrans-94.7146.7-179.400000111.4F72 V76 F121 L125F72-A123 HydrophobicContact CZ-CB 3.9Å; V76-A123 HydrophobicContact CG2-CB 4.04Å; F121-A123 VanDerWaalsContact C-N 3.33Å; F121-A123 HydrophobicContact CD1-CB 3.92Å; F121-A123 HydrophobicContact CE1-CB 3.46Å; F121-A123 VanDerWaalsContact CE1-CB 3.46Å; F121-A123 HydrophobicContact CZ-CB 4.41Å; F121-A123 PolarHBondContact O-N 3.15Å; A123-L125 PolarHBondContact O-N 3.41Å
124N91.4Very high91.2Very high100 Ų10096.2 Ų96.254%0.53548%0.476SS..  trans-70.8113.9170.2-172.77.9000110.6R80 K126R80-N124 PolarHBondContact NE-O 3.25Å; R80-N124 PolarHBondContact NH2-O 3.39Å; N124-K126 VanDerWaalsContact CG-O 3.29Å; N124-K126 PolarHBondContact ND2-O 2.91Å; N124-K126 PolarHBondContact OD1-N 2.75Å; N124-K126 PolarHBondContact OD1-O 3.13Å; N124-K126 VanDerWaalsContact OD1-O 3.06Å
125L90.6Very high90.7Very high22 Ų2294.3 Ų94.312%0.11547%0.47CS..  trans-93.5-12176.3-59.3-176.6000113.3V76 H79 N83 I116 F121 A123V76-L125 HydrophobicContact CG1-CD2 4.25Å; H79-L125 HydrophobicContact CB-CD1 4.18Å; H79-L125 HydrophobicContact CB-CD2 3.93Å; H79-L125 HydrophobicContact CB-CG 4.47Å; N83-L125 PolarHBondContact ND2-O 3.12Å; I116-L125 HydrophobicContact CD1-CD1 3.51Å; I116-L125 HydrophobicContact CG1-CD1 3.7Å; I116-L125 HydrophobicContact CG2-CD1 4.37Å; F121-L125 HydrophobicContact CD1-CD1 3.92Å; F121-L125 HydrophobicContact CD1-CD2 3.92Å; F121-L125 HydrophobicContact CD1-CG 3.92Å; F121-L125 HydrophobicContact CE1-CD1 4.47Å; F121-L125 HydrophobicContact CE1-CD2 3.78Å; F121-L125 HydrophobicContact CE1-CG 4.31Å; A123-L125 PolarHBondContact O-N 3.41Å
126K83.3Confident90.3Very high159 Ų15996 Ų9669%0.69149%0.485SS*.  trans-89.2139.4175.2-59.4-179.6-176.9177.10108.5N124N124-K126 VanDerWaalsContact CG-O 3.29Å; N124-K126 PolarHBondContact ND2-O 2.91Å; N124-K126 PolarHBondContact OD1-N 2.75Å; N124-K126 PolarHBondContact OD1-O 3.13Å; N124-K126 VanDerWaalsContact OD1-O 3.06Å
127Y68.3Low89.9Confident194 Ų194101 Ų10176%0.76151%0.51SS*.  trans-84.90163.2-83.3-72.3000110.1R80 L84R80-Y127 HydrophobicContact CB-CD2 4.19Å; R80-Y127 HydrophobicContact CB-CE2 3.54Å; R80-Y127 HydrophobicContact CG-CE2 4.15Å; L84-Y127 HydrophobicContact CB-CD2 3.85Å; L84-Y127 HydrophobicContact CB-CE2 4.21Å; L84-Y127 HydrophobicContact CD1-CD2 4.18Å; L84-Y127 HydrophobicContact CD1-CG 4.44Å; L84-Y127 HydrophobicContact CD2-CD2 4Å; L84-Y127 HydrophobicContact CD2-CE2 3.95Å; L84-Y127 HydrophobicContact CG-CD2 4.23Å

Retrieved 127 of 127 residues in 86.5 ms (Link to these results)

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