A0A5K4E8I9_SCHMA Loading...

COX assembly mitochondrial protein

AlphaFold DB , UniProt , Accession A0A5K4E8I9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 81 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
1M36.3Very low47Very low245 Ų24576.7 Ų76.7100%1.20743%0.432SS*.  0113.90-71.1171.5174.200106.8G3M1-G3 PolarHBondContact O-N 2.88Å
2Q42.7Very low47.4Very low163 Ų16377.3 Ų77.376%0.76244%0.438SS*.  trans-78.2114.2170.2-81.2163.916.400106.6M80Q2-M80 HydrophobicContact CB-CE 3.82Å; Q2-M80 HydrophobicContact CB-SD 3.9Å; Q2-M80 HydrophobicContact CG-CE 4.26Å
3G44.4Very low47.5Very low14 Ų1476.1 Ų76.114%0.14445%0.454CS..PPolyproline II helixtrans-103.4149.6178.400000109.8M1 Y21 M80M1-G3 PolarHBondContact O-N 2.88Å; G3-Y21 WeakPolarHBondContact O-CD1 3.42Å; G3-M80 CarbonylContact O-C 3.59Å; G3-M80 VanDerWaalsContact O-O 3.12Å
4Y50.1Low47.5Very low60 Ų6080.8 Ų80.824%0.23547%0.474CS..EExtended strand (participates in β ladder)trans-102.2129.9179.7-70.4-97.3000110.8S6 Y21 I22 Q79 M80Y4-S6 PolarHBondContact O-N 3.13Å; Y4-Y21 CarbonylContact O-C 3.42Å; Y4-Y21 WeakPolarHBondContact O-CA 2.88Å; Y4-I22 HydrophobicContact CG-CG2 4.47Å; Y4-I22 PolarHBondContact O-N 3.32Å; Y4-Q79 CarbonylContact C-O 3.56Å; Y4-Q79 WeakPolarHBondContact CA-O 3.29Å; Y4-Q79 WeakPolarHBondContact CB-O 3.33Å; Y4-Q79 HydrophobicContact CD1-CB 3.64Å; Y4-Q79 WeakPolarHBondContact CD1-O 3.44Å; Y4-Q79 HydrophobicContact CE1-CB 4.15Å; Y4-M80 HydrophobicContact CD1-CB 4.47Å; Y4-M80 HydrophobicContact CD1-CG 3.69Å; Y4-M80 HydrophobicContact CD1-SD 3.95Å; Y4-M80 HydrophobicContact CD2-SD 3.9Å; Y4-M80 HydrophobicContact CE1-CB 4.46Å; Y4-M80 HydrophobicContact CE1-CG 3.28Å; Y4-M80 HydrophobicContact CE1-SD 3.48Å; Y4-M80 WeakPolarHBondContact CE1-SD 3.4Å; Y4-M80 HydrophobicContact CE2-CG 4.34Å; Y4-M80 HydrophobicContact CE2-SD 3.37Å; Y4-M80 WeakPolarHBondContact CE2-SD 3.45Å; Y4-M80 HydrophobicContact CG-CG 4.38Å; Y4-M80 HydrophobicContact CG-SD 4.15Å; Y4-M80 PolarHBondContact OH-SD 3Å; Y4-M80 VanDerWaalsContact OH-SD 3.38Å
5A50.8Low47.8Very low37 Ų3776.1 Ų76.131%0.30645%0.45SS..EExtended strand (participates in β ladder)trans-47.7122.6-177.800000113.1K20 Q79A5-K20 CarbonylContact C-O 3.44Å; A5-K20 VanDerWaalsContact CA-O 3.3Å; A5-K20 WeakPolarHBondContact CA-O 3.18Å; A5-Q79 PolarHBondContact N-O 3.26Å
6S48.3Very low48.3Very low25 Ų2577.1 Ų77.118%0.17545%0.453CS..  trans-107.1142.7179.2142.60000109.5Y4 S19 K20Y4-S6 PolarHBondContact O-N 3.13Å; S6-S19 PolarHBondContact OG-O 2.87Å; S6-K20 PolarHBondContact N-O 3.46Å
7Y50.4Low48.8Very low132 Ų13277.9 Ų77.952%0.51846%0.461SS..  trans-63.8137.4168-120.3-94.7000108.4G9 G10 L39Y7-G9 PolarHBondContact O-N 2.88Å; Y7-G10 PolarHBondContact O-N 3.01Å; Y7-L39 HydrophobicContact CD2-CD2 3.78Å; Y7-L39 HydrophobicContact CE2-CD2 4.23Å
8A47Very low49.3Very low98 Ų9881.4 Ų81.481%0.8148%0.477SS*.THydrogen-bonded Turntrans-49.7118.2173.100000109.8
9G49.2Very low49.6Very low25 Ų2578.9 Ų78.926%0.25847%0.465SS..THydrogen-bonded Turntrans101-4.1-176.500000116.3Y7 G13Y7-G9 PolarHBondContact O-N 2.88Å; G9-G13 WeakPolarHBondContact O-CA 3.26Å; G9-G13 PolarHBondContact O-N 3.21Å
10G47.9Very low49.9Very low13 Ų1382.8 Ų82.813%0.13448%0.475CS..THydrogen-bonded Turntrans67.7171.6177.900000113.2Y7 V12Y7-G10 PolarHBondContact O-N 3.01Å; G10-V12 PolarHBondContact O-N 2.73Å
11P49.8Very low50.2Low32 Ų3284.4 Ų84.421%0.20848%0.475CS..THydrogen-bonded Turntrans-65-13.1-167.416.9-28.4000117.3I22 E26 V30 I31P11-I22 HydrophobicContact CG-CD1 4.32Å; P11-E26 HydrophobicContact CG-CB 4.23Å; P11-V30 HydrophobicContact CB-CG1 4.22Å; P11-V30 HydrophobicContact CG-CB 4.39Å; P11-V30 HydrophobicContact CG-CG1 3.92Å; P11-I31 HydrophobicContact CB-CD1 3.3Å; P11-I31 HydrophobicContact CB-CG1 3.31Å; P11-I31 HydrophobicContact CG-CD1 3.67Å; P11-I31 HydrophobicContact CG-CG1 3.67Å
12V51.9Low51.1Low83 Ų8374.3 Ų74.350%0.50343%0.425SS..THydrogen-bonded Turntrans-153.717.5179.7-64.60000112.6G10 L14 V30G10-V12 PolarHBondContact O-N 2.73Å; V12-L14 HydrophobicContact CG2-CB 3.65Å; V12-L14 HydrophobicContact CG2-CD1 3.58Å; V12-L14 HydrophobicContact CG2-CG 3.56Å; V12-L14 PolarHBondContact O-N 3.17Å; V12-V30 HydrophobicContact CB-CG1 3.96Å; V12-V30 HydrophobicContact CG1-CG1 3.58Å; V12-V30 HydrophobicContact CG2-CG1 3.11Å
13G49.2Very low51.8Low62 Ų6269.1 Ų69.164%0.63941%0.407SS*.SBendtrans74.35.6-171.700000115G9G9-G13 WeakPolarHBondContact O-CA 3.26Å; G9-G13 PolarHBondContact O-N 3.21Å
14L47Very low52.5Low142 Ų14273.3 Ų73.374%0.74343%0.434SS*.  trans-92.8-8174.8-69.1175.4000113.4V12V12-L14 HydrophobicContact CG2-CB 3.65Å; V12-L14 HydrophobicContact CG2-CD1 3.58Å; V12-L14 HydrophobicContact CG2-CG 3.56Å; V12-L14 PolarHBondContact O-N 3.17Å
15G52.5Low52.7Low11 Ų1174.6 Ų74.611%0.11345%0.448CS..SBendtrans-81162.717600000111.6P17 E26G15-P17 VanDerWaalsContact O-CD 3.26Å; G15-P17 WeakPolarHBondContact O-CD 3.37Å; G15-P17 VanDerWaalsContact O-N 3.16Å; G15-E26 WeakPolarHBondContact CA-OE1 3.3Å
16D55.1Low52.8Low92 Ų9273.9 Ų73.949%0.49244%0.438SS..  trans-61.7117.1167.2173.73.1000108.2N18 S19D16-N18 PolarHBondContact O-N 3.15Å; D16-N18 VanDerWaalsContact O-N 3.13Å; D16-N18 WeakPolarHBondContact OD1-CB 3.41Å; D16-N18 PolarHBondContact OD1-N 3.49Å; D16-S19 WeakPolarHBondContact O-CB 3.13Å; D16-S19 PolarHBondContact O-N 2.97Å
17P57.1Low53.2Low91 Ų9176.4 Ų76.459%0.59144%0.444SS*.THydrogen-bonded Turntrans-62-21.7-178.524.3-33000112.7G15G15-P17 VanDerWaalsContact O-CD 3.26Å; G15-P17 WeakPolarHBondContact O-CD 3.37Å; G15-P17 VanDerWaalsContact O-N 3.16Å
18N58.3Low53.6Low141 Ų14174.2 Ų74.275%0.75445%0.448SS*.THydrogen-bonded Turntrans-89.1-12175-55.6-59.2000112.6D16 K20D16-N18 PolarHBondContact O-N 3.15Å; D16-N18 VanDerWaalsContact O-N 3.13Å; D16-N18 WeakPolarHBondContact OD1-CB 3.41Å; D16-N18 PolarHBondContact OD1-N 3.49Å; N18-K20 PolarHBondContact O-N 3.36Å
19S54.1Low53.8Low34 Ų3475.6 Ų75.624%0.23844%0.442CS..  trans-78.5111.6178.6-177.50000110.1S6 D16 Y21S6-S19 PolarHBondContact OG-O 2.87Å; D16-S19 WeakPolarHBondContact O-CB 3.13Å; D16-S19 PolarHBondContact O-N 2.97Å; S19-Y21 PolarHBondContact O-N 3.05Å; S19-Y21 VanDerWaalsContact O-N 3.15Å; S19-Y21 PolarHBondContact OG-N 2.77Å; S19-Y21 PolarHBondContact OG-O 3.23Å
20K56.6Low53.9Low156 Ų15676.4 Ų76.468%0.67844%0.441SS*.SBendtrans-68.91.6165.2-65.8-175-179.5-178.90112.7A5 S6 N18A5-K20 CarbonylContact C-O 3.44Å; A5-K20 VanDerWaalsContact CA-O 3.3Å; A5-K20 WeakPolarHBondContact CA-O 3.18Å; S6-K20 PolarHBondContact N-O 3.46Å; N18-K20 PolarHBondContact O-N 3.36Å
21Y56.2Low54.1Low117 Ų11776.6 Ų76.646%0.45944%0.439SS..EExtended strand (participates in β ladder)trans-125.1133.7-174.9-52.1-67.1000113.6G3 Y4 S19G3-Y21 WeakPolarHBondContact O-CD1 3.42Å; Y4-Y21 CarbonylContact O-C 3.42Å; Y4-Y21 WeakPolarHBondContact O-CA 2.88Å; S19-Y21 PolarHBondContact O-N 3.05Å; S19-Y21 VanDerWaalsContact O-N 3.15Å; S19-Y21 PolarHBondContact OG-N 2.77Å; S19-Y21 PolarHBondContact OG-O 3.23Å
22I55.3Low54.5Low33 Ų3378.3 Ų78.317%0.16945%0.452CS..EExtended strand (participates in β ladder)trans-80.6128.8170.5-171.6176.4000110.1Y4 P11 E26 R27 I31Y4-I22 HydrophobicContact CG-CG2 4.47Å; Y4-I22 PolarHBondContact O-N 3.32Å; P11-I22 HydrophobicContact CG-CD1 4.32Å; I22-E26 HydrophobicContact CD1-CB 4.02Å; I22-E26 HydrophobicContact CG1-CB 3.53Å; I22-R27 HydrophobicContact CD1-CB 4.4Å; I22-I31 HydrophobicContact CD1-CD1 3.37Å; I22-I31 HydrophobicContact CD1-CG1 4.25Å
23S57.2Low54.8Low54 Ų5481.9 Ų81.938%0.37846%0.461SS..  trans-76.2155.4175.164.40000111.7T25 E26 R27S23-T25 PolarHBondContact O-N 3Å; S23-E26 PolarHBondContact N-OE2 3.09Å; S23-E26 PolarHBondContact O-N 3.34Å; S23-E26 VanDerWaalsContact O-N 3.12Å; S23-E26 VanDerWaalsContact OG-CG 3.26Å; S23-E26 WeakPolarHBondContact OG-CG 3.31Å; S23-E26 PolarHBondContact OG-N 2.71Å; S23-E26 PolarHBondContact OG-OE2 3.4Å; S23-R27 PolarHBondContact O-N 2.98Å; S23-R27 VanDerWaalsContact O-N 3.08Å
24S57.9Low55.2Low101 Ų10185.8 Ų85.871%0.70646%0.46SS*.Hα-helixtrans-56.2-35.5175.450.80000112.4R27 S28S24-R27 WeakPolarHBondContact O-CB 2.98Å; S24-R27 PolarHBondContact O-N 3.26Å; S24-S28 PolarHBondContact O-N 3.3Å; S24-S28 VanDerWaalsContact O-N 3.08Å
25T55.9Low55.7Low87 Ų8781.6 Ų81.653%0.53444%0.441SS..Hα-helixtrans-66.7-40.9176.9-53.20000112.4S23 R27 S28 N29S23-T25 PolarHBondContact O-N 3Å; T25-R27 VanDerWaalsContact C-N 3.28Å; T25-R27 PolarHBondContact O-N 3.38Å; T25-S28 PolarHBondContact O-N 3.17Å; T25-S28 PolarHBondContact O-OG 3.33Å; T25-N29 WeakPolarHBondContact O-CB 3.22Å; T25-N29 PolarHBondContact O-N 3.17Å; T25-N29 VanDerWaalsContact O-N 3.12Å
26E52.1Low55.9Low22 Ų2283.2 Ų83.210%0.10345%0.445CS..Hα-helixtrans-65.1-36.1174-74.7169.7122.300111.4P11 G15 I22 S23 V30P11-E26 HydrophobicContact CG-CB 4.23Å; G15-E26 WeakPolarHBondContact CA-OE1 3.3Å; I22-E26 HydrophobicContact CD1-CB 4.02Å; I22-E26 HydrophobicContact CG1-CB 3.53Å; S23-E26 PolarHBondContact N-OE2 3.09Å; S23-E26 PolarHBondContact O-N 3.34Å; S23-E26 VanDerWaalsContact O-N 3.12Å; S23-E26 VanDerWaalsContact OG-CG 3.26Å; S23-E26 WeakPolarHBondContact OG-CG 3.31Å; S23-E26 PolarHBondContact OG-N 2.71Å; S23-E26 PolarHBondContact OG-OE2 3.4Å; E26-V30 VanDerWaalsContact O-CB 3.31Å; E26-V30 WeakPolarHBondContact O-CB 3.49Å; E26-V30 PolarHBondContact O-N 2.91Å; E26-V30 VanDerWaalsContact O-N 3.1Å
27R56.8Low56.2Low79 Ų7983.2 Ų83.230%0.29844%0.442SS..Hα-helixtrans-66-37.5176.4-170.2176.1-178.6155.2-0.3113I22 S23 S24 T25 Q36I22-R27 HydrophobicContact CD1-CB 4.4Å; S23-R27 PolarHBondContact O-N 2.98Å; S23-R27 VanDerWaalsContact O-N 3.08Å; S24-R27 WeakPolarHBondContact O-CB 2.98Å; S24-R27 PolarHBondContact O-N 3.26Å; T25-R27 VanDerWaalsContact C-N 3.28Å; T25-R27 PolarHBondContact O-N 3.38Å; R27-Q36 PolarHBondContact O-NE2 3.17Å
28S57.9Low56.4Low85 Ų8584 Ų8459%0.59444%0.436SS*.Hα-helixtrans-80.3-34.8-177.568.30000113.1S24 T25S24-S28 PolarHBondContact O-N 3.3Å; S24-S28 VanDerWaalsContact O-N 3.08Å; T25-S28 PolarHBondContact O-N 3.17Å; T25-S28 PolarHBondContact O-OG 3.33Å
29N51.6Low56.4Low128 Ų12879.4 Ų79.468%0.68441%0.412SS*.Hα-helixtrans-113.2-20.6-164.4-69.6-12.8000114.9T25T25-N29 WeakPolarHBondContact O-CB 3.22Å; T25-N29 PolarHBondContact O-N 3.17Å; T25-N29 VanDerWaalsContact O-N 3.12Å
30V51.8Low56.8Low41 Ų4178.7 Ų78.725%0.24841%0.405CS..THydrogen-bonded Turntrans-112.5-32.9-161.3-178.20000112.9P11 V12 E26P11-V30 HydrophobicContact CB-CG1 4.22Å; P11-V30 HydrophobicContact CG-CB 4.39Å; P11-V30 HydrophobicContact CG-CG1 3.92Å; V12-V30 HydrophobicContact CB-CG1 3.96Å; V12-V30 HydrophobicContact CG1-CG1 3.58Å; V12-V30 HydrophobicContact CG2-CG1 3.11Å; E26-V30 VanDerWaalsContact O-CB 3.31Å; E26-V30 WeakPolarHBondContact O-CB 3.49Å; E26-V30 PolarHBondContact O-N 2.91Å; E26-V30 VanDerWaalsContact O-N 3.1Å
31I51.3Low57Low17 Ų1773 Ų739%0.08739%0.385CS..SBendtrans-101.8116.1-174.6-40.2-164.7000110.2P11 I22 K33 V35 Q36 L39P11-I31 HydrophobicContact CB-CD1 3.3Å; P11-I31 HydrophobicContact CB-CG1 3.31Å; P11-I31 HydrophobicContact CG-CD1 3.67Å; P11-I31 HydrophobicContact CG-CG1 3.67Å; I22-I31 HydrophobicContact CD1-CD1 3.37Å; I22-I31 HydrophobicContact CD1-CG1 4.25Å; I31-K33 PolarHBondContact O-N 2.04Å; I31-V35 HydrophobicContact CG2-CB 3.45Å; I31-V35 VanDerWaalsContact CG2-CB 3.45Å; I31-V35 HydrophobicContact CG2-CG1 3.44Å; I31-V35 VanDerWaalsContact CG2-CG1 3.44Å; I31-Q36 HydrophobicContact CB-CG 3.6Å; I31-Q36 HydrophobicContact CG2-CB 4.32Å; I31-Q36 HydrophobicContact CG2-CG 3.47Å; I31-Q36 VanDerWaalsContact CG2-CG 3.47Å; I31-Q36 VanDerWaalsContact CG2-N 3.34Å; I31-Q36 PolarHBondContact O-NE2 2.93Å; I31-Q36 VanDerWaalsContact O-NE2 3.15Å; I31-L39 HydrophobicContact CD1-CD1 3.88Å; I31-L39 HydrophobicContact CG2-CD1 4.18Å
32S57.8Low57.5Low69 Ų6971.5 Ų71.548%0.48338%0.382SS..  trans-53.9142.1167.676.60000109.6F34 V35 Q36S32-F34 PolarHBondContact O-N 3.24Å; S32-V35 WeakPolarHBondContact O-CA 3.45Å; S32-V35 PolarHBondContact O-N 2.83Å; S32-V35 WeakPolarHBondContact OG-CG2 3.12Å; S32-V35 PolarHBondContact OG-N 2.8Å; S32-Q36 PolarHBondContact O-N 3.26Å
33K59.4Low58.2Low158 Ų15874.5 Ų74.569%0.68740%0.398SS*.Hα-helixtrans-50.6-33.7-179.5-171.6175.5177.4179.90112.5I31 Q36 E37I31-K33 PolarHBondContact O-N 2.04Å; K33-Q36 WeakPolarHBondContact O-CB 3.01Å; K33-Q36 PolarHBondContact O-N 3.43Å; K33-E37 WeakPolarHBondContact O-CG 3.43Å; K33-E37 PolarHBondContact O-N 3.46Å
34F57.6Low59Low143 Ų14372 Ų7263%0.62738%0.381SS*.Hα-helixtrans-62.7-46.4173.5179.8-100.5000113.4S32 Q36 E37 K38S32-F34 PolarHBondContact O-N 3.24Å; F34-Q36 VanDerWaalsContact C-N 3.32Å; F34-E37 WeakPolarHBondContact O-CB 3.43Å; F34-E37 PolarHBondContact O-N 2.93Å; F34-K38 WeakPolarHBondContact O-CB 3.48Å; F34-K38 PolarHBondContact O-N 2.86Å
35V56.4Low59.9Low54 Ų5469.8 Ų69.833%0.32736%0.362SS..Hα-helixtrans-68.8-34.6177176.30000110.3I31 S32 K38 L39I31-V35 HydrophobicContact CG2-CB 3.45Å; I31-V35 VanDerWaalsContact CG2-CB 3.45Å; I31-V35 HydrophobicContact CG2-CG1 3.44Å; I31-V35 VanDerWaalsContact CG2-CG1 3.44Å; S32-V35 WeakPolarHBondContact O-CA 3.45Å; S32-V35 PolarHBondContact O-N 2.83Å; S32-V35 WeakPolarHBondContact OG-CG2 3.12Å; S32-V35 PolarHBondContact OG-N 2.8Å; V35-K38 PolarHBondContact O-N 3.2Å; V35-L39 HydrophobicContact CG1-CD1 3.72Å; V35-L39 HydrophobicContact CG1-CG 4.05Å; V35-L39 VanDerWaalsContact O-CB 3.31Å; V35-L39 WeakPolarHBondContact O-CB 3.43Å; V35-L39 WeakPolarHBondContact O-CG 3.12Å; V35-L39 PolarHBondContact O-N 3.11Å
36Q57.9Low61Low45 Ų4570.9 Ų70.921%0.2137%0.365CS..Hα-helixtrans-58.3-52169.9-63.6-174.418.700109.9R27 I31 S32 K33 F34 K38 L39 I40R27-Q36 PolarHBondContact O-NE2 3.17Å; I31-Q36 HydrophobicContact CB-CG 3.6Å; I31-Q36 HydrophobicContact CG2-CB 4.32Å; I31-Q36 HydrophobicContact CG2-CG 3.47Å; I31-Q36 VanDerWaalsContact CG2-CG 3.47Å; I31-Q36 VanDerWaalsContact CG2-N 3.34Å; I31-Q36 PolarHBondContact O-NE2 2.93Å; I31-Q36 VanDerWaalsContact O-NE2 3.15Å; S32-Q36 PolarHBondContact O-N 3.26Å; K33-Q36 WeakPolarHBondContact O-CB 3.01Å; K33-Q36 PolarHBondContact O-N 3.43Å; F34-Q36 VanDerWaalsContact C-N 3.32Å; Q36-K38 VanDerWaalsContact C-N 3.27Å; Q36-K38 PolarHBondContact O-N 3.49Å; Q36-L39 PolarHBondContact O-N 3.28Å; Q36-I40 HydrophobicContact CB-CD1 4.32Å; Q36-I40 WeakPolarHBondContact O-CB 3.01Å; Q36-I40 VanDerWaalsContact O-CD1 3.31Å; Q36-I40 WeakPolarHBondContact O-CD1 3.45Å; Q36-I40 WeakPolarHBondContact O-CG1 3.5Å; Q36-I40 PolarHBondContact O-N 2.89Å
37E60.4Low62.1Low92 Ų9272.9 Ų72.943%0.4338%0.375SS..Hα-helixtrans-57.5-38.4177.9-75.5175.1-16800112.7K33 F34 S41K33-E37 WeakPolarHBondContact O-CG 3.43Å; K33-E37 PolarHBondContact O-N 3.46Å; F34-E37 WeakPolarHBondContact O-CB 3.43Å; F34-E37 PolarHBondContact O-N 2.93Å; E37-S41 VanDerWaalsContact O-CB 3.29Å; E37-S41 WeakPolarHBondContact O-CB 3.47Å; E37-S41 PolarHBondContact O-N 3.38Å; E37-S41 PolarHBondContact O-OG 3.27Å
38K62.2Low63.1Low107 Ų10770.9 Ų70.947%0.46537%0.367SS..Hα-helixtrans-70.8-49178.2-156.6-176.8-177-77.60112F34 V35 Q36 I40 S41 E42F34-K38 WeakPolarHBondContact O-CB 3.48Å; F34-K38 PolarHBondContact O-N 2.86Å; V35-K38 PolarHBondContact O-N 3.2Å; Q36-K38 VanDerWaalsContact C-N 3.27Å; Q36-K38 PolarHBondContact O-N 3.49Å; K38-I40 VanDerWaalsContact C-N 3.29Å; K38-I40 PolarHBondContact O-N 3Å; K38-S41 PolarHBondContact O-N 3.41Å; K38-S41 VanDerWaalsContact O-N 3.09Å; K38-S41 PolarHBondContact O-OG 3.18Å; K38-E42 IonicContact NZ-OE1 2.76Å; K38-E42 PolarHBondContact NZ-OE1 2.86Å; K38-E42 PolarHBondContact O-N 2.88Å; K38-E42 VanDerWaalsContact O-N 3.17Å
39L58.2Low64.2Low45 Ų4572.1 Ų72.124%0.23636%0.362CS..Hα-helixtrans-58.8-42.3176.4-73.3168.1000111.5Y7 I31 V35 Q36 S41 E42 L43Y7-L39 HydrophobicContact CD2-CD2 3.78Å; Y7-L39 HydrophobicContact CE2-CD2 4.23Å; I31-L39 HydrophobicContact CD1-CD1 3.88Å; I31-L39 HydrophobicContact CG2-CD1 4.18Å; V35-L39 HydrophobicContact CG1-CD1 3.72Å; V35-L39 HydrophobicContact CG1-CG 4.05Å; V35-L39 VanDerWaalsContact O-CB 3.31Å; V35-L39 WeakPolarHBondContact O-CB 3.43Å; V35-L39 WeakPolarHBondContact O-CG 3.12Å; V35-L39 PolarHBondContact O-N 3.11Å; Q36-L39 PolarHBondContact O-N 3.28Å; L39-S41 VanDerWaalsContact C-N 3.34Å; L39-E42 PolarHBondContact O-N 3.44Å; L39-L43 PolarHBondContact O-N 3.3Å; L39-L43 VanDerWaalsContact O-N 3.17Å
40I61.2Low65.6Low20 Ų2069.7 Ų69.710%0.10335%0.349CS..Hα-helixtrans-58.5-46.4173.8-79.8172.6000111.4Q36 K38 E42 C44 W48 F75Q36-I40 HydrophobicContact CB-CD1 4.32Å; Q36-I40 WeakPolarHBondContact O-CB 3.01Å; Q36-I40 VanDerWaalsContact O-CD1 3.31Å; Q36-I40 WeakPolarHBondContact O-CD1 3.45Å; Q36-I40 WeakPolarHBondContact O-CG1 3.5Å; Q36-I40 PolarHBondContact O-N 2.89Å; K38-I40 VanDerWaalsContact C-N 3.29Å; K38-I40 PolarHBondContact O-N 3Å; I40-E42 PolarHBondContact O-N 2.98Å; I40-C44 PolarHBondContact O-N 3.29Å; I40-W48 HydrophobicContact CG2-CD2 3.79Å; I40-W48 HydrophobicContact CG2-CE3 3.7Å; I40-W48 HydrophobicContact CG2-CG 4.23Å; I40-W48 HydrophobicContact CG2-CH2 4.41Å; I40-W48 HydrophobicContact CG2-CZ2 4.49Å; I40-W48 HydrophobicContact CG2-CZ3 4.02Å; I40-F75 HydrophobicContact CB-CE2 4.43Å; I40-F75 HydrophobicContact CB-CZ 3.97Å; I40-F75 HydrophobicContact CD1-CE1 4.49Å; I40-F75 HydrophobicContact CD1-CZ 4.04Å; I40-F75 HydrophobicContact CG1-CZ 3.82Å; I40-F75 HydrophobicContact CG2-CE1 4.27Å; I40-F75 HydrophobicContact CG2-CE2 3.44Å; I40-F75 VanDerWaalsContact CG2-CE2 3.44Å; I40-F75 HydrophobicContact CG2-CZ 3.16Å
41S62.4Low66.8Low37 Ų3770.1 Ų70.126%0.25935%0.346SS..Hα-helixtrans-69.6-21.2-17774.60000113.4E37 K38 L39 V45E37-S41 VanDerWaalsContact O-CB 3.29Å; E37-S41 WeakPolarHBondContact O-CB 3.47Å; E37-S41 PolarHBondContact O-N 3.38Å; E37-S41 PolarHBondContact O-OG 3.27Å; K38-S41 PolarHBondContact O-N 3.41Å; K38-S41 VanDerWaalsContact O-N 3.09Å; K38-S41 PolarHBondContact O-OG 3.18Å; L39-S41 VanDerWaalsContact C-N 3.34Å; S41-V45 WeakPolarHBondContact O-CA 3.33Å; S41-V45 WeakPolarHBondContact O-CG2 3.27Å
42E66.4Low68.3Low85 Ų8573.6 Ų73.640%0.39736%0.358SS..Hα-helixtrans-92-37.7-179.1-72.1177.8-163.600112.6K38 L39 I40 V45K38-E42 IonicContact NZ-OE1 2.76Å; K38-E42 PolarHBondContact NZ-OE1 2.86Å; K38-E42 PolarHBondContact O-N 2.88Å; K38-E42 VanDerWaalsContact O-N 3.17Å; L39-E42 PolarHBondContact O-N 3.44Å; I40-E42 PolarHBondContact O-N 2.98Å; E42-V45 WeakPolarHBondContact O-CG2 3.5Å
43L69Low69.5Low96 Ų9677.8 Ų77.850%0.50337%0.367SS..Hα-helixtrans-80.4-38.8-178.6-73.1168.4000113.5L39L39-L43 PolarHBondContact O-N 3.3Å; L39-L43 VanDerWaalsContact O-N 3.17Å
44C74.9Confident70.6Confident2 Ų271.3 Ų71.31%0.01434%0.342CS..SBendtrans-126.850.9-174.6-61.20000109.9I40 D46 E47 W48 F75 C78I40-C44 PolarHBondContact O-N 3.29Å; C44-D46 VanDerWaalsContact C-N 3.26Å; C44-D46 PolarHBondContact O-N 3.38Å; C44-E47 WeakPolarHBondContact CA-OE2 3.26Å; C44-E47 HydrophobicContact CB-CB 4.49Å; C44-W48 WeakPolarHBondContact O-CB 3.49Å; C44-W48 PolarHBondContact O-N 3.33Å; C44-F75 HydrophobicContact CB-CD2 4.05Å; C44-F75 HydrophobicContact CB-CE2 3.9Å; C44-C78 HydrophobicContact CB-CB 3.88Å; C44-C78 WeakPolarHBondContact CB-SG 3.5Å; C44-C78 WeakPolarHBondContact SG-CB 3.49Å; C44-C78 CovalentContact SG-SG 2.04Å; C44-C78 PolarHBondContact SG-SG 2.85Å
45V75.9Confident71.7Confident53 Ų5366.7 Ų66.732%0.32132%0.323SS..Hα-helixtrans-53.9-45.5-1741790000111S41 E42 K49S41-V45 WeakPolarHBondContact O-CA 3.33Å; S41-V45 WeakPolarHBondContact O-CG2 3.27Å; E42-V45 WeakPolarHBondContact O-CG2 3.5Å; V45-K49 HydrophobicContact CG1-CD 4.09Å; V45-K49 VanDerWaalsContact CG1-CE 3.48Å; V45-K49 WeakPolarHBondContact O-CB 3.39Å; V45-K49 VanDerWaalsContact O-CG 3.27Å; V45-K49 WeakPolarHBondContact O-CG 3.31Å; V45-K49 PolarHBondContact O-N 2.89Å
46D79.4Confident73Confident110 Ų11072.5 Ų72.559%0.58834%0.339SS*.Hα-helixtrans-75.7-46.3-169.7-68.4-30.8000110.9C44 W48 K49 D50C44-D46 VanDerWaalsContact C-N 3.26Å; C44-D46 PolarHBondContact O-N 3.38Å; D46-W48 VanDerWaalsContact C-N 3.28Å; D46-W48 PolarHBondContact O-N 2.96Å; D46-K49 WeakPolarHBondContact O-CB 3.29Å; D46-K49 PolarHBondContact O-N 3.23Å; D46-K49 IonicContact OD1-NZ 2.77Å; D46-D50 WeakPolarHBondContact O-CB 3.31Å; D46-D50 PolarHBondContact O-N 3.43Å
47E76.4Confident74.3Confident65 Ų6573.5 Ų73.530%0.30436%0.362SS..Hα-helixtrans-60.6-40.1173.4-62.479.3-177.800111.1C44 D50 W51 I74 F75 C78C44-E47 WeakPolarHBondContact CA-OE2 3.26Å; C44-E47 HydrophobicContact CB-CB 4.49Å; E47-D50 WeakPolarHBondContact O-CB 3.36Å; E47-D50 PolarHBondContact O-N 3.46Å; E47-W51 PolarHBondContact O-N 3.27Å; E47-I74 HydrophobicContact CG-CG2 4.01Å; E47-F75 HydrophobicContact CB-CB 4.2Å; E47-F75 HydrophobicContact CB-CD2 4.25Å; E47-C78 HydrophobicContact CG-CB 4.19Å
48W75.9Confident75.1Confident36 Ų3671.8 Ų71.814%0.13635%0.353CS..Hα-helixtrans-66.8-41.5177.4-176.1-118.4000112.8I40 C44 D46 D50 W51 R52 F75I40-W48 HydrophobicContact CG2-CD2 3.79Å; I40-W48 HydrophobicContact CG2-CE3 3.7Å; I40-W48 HydrophobicContact CG2-CG 4.23Å; I40-W48 HydrophobicContact CG2-CH2 4.41Å; I40-W48 HydrophobicContact CG2-CZ2 4.49Å; I40-W48 HydrophobicContact CG2-CZ3 4.02Å; C44-W48 WeakPolarHBondContact O-CB 3.49Å; C44-W48 PolarHBondContact O-N 3.33Å; D46-W48 VanDerWaalsContact C-N 3.28Å; D46-W48 PolarHBondContact O-N 2.96Å; W48-D50 PolarHBondContact O-N 3.3Å; W48-W51 HydrophobicContact CD2-CE3 4.39Å; W48-W51 AromaticContact CE3-CE3 3.93Å; W48-W51 HydrophobicContact CE3-CE3 3.93Å; W48-W51 HydrophobicContact CE3-CZ3 4.41Å; W48-W51 AromaticContact CH2-CE3 3.82Å; W48-W51 HydrophobicContact CH2-CE3 3.82Å; W48-W51 HydrophobicContact CH2-CH2 4.24Å; W48-W51 AromaticContact CH2-CZ3 3.44Å; W48-W51 HydrophobicContact CH2-CZ3 3.44Å; W48-W51 VanDerWaalsContact CH2-CZ3 3.44Å; W48-W51 HydrophobicContact CZ2-CE3 4.28Å; W48-W51 AromaticContact CZ2-CZ3 3.93Å; W48-W51 HydrophobicContact CZ2-CZ3 3.93Å; W48-W51 HydrophobicContact CZ3-CD2 4.38Å; W48-W51 AromaticContact CZ3-CE3 3.62Å; W48-W51 HydrophobicContact CZ3-CE3 3.62Å; W48-W51 AromaticContact CZ3-CZ3 3.72Å; W48-W51 HydrophobicContact CZ3-CZ3 3.72Å; W48-R52 WeakPolarHBondContact O-CB 3Å; W48-R52 WeakPolarHBondContact O-CG 3.07Å; W48-R52 PolarHBondContact O-N 2.83Å; W48-F75 HydrophobicContact CB-CD2 4.24Å; W48-F75 HydrophobicContact CB-CE2 4.23Å; W48-F75 HydrophobicContact CD2-CE2 4.46Å; W48-F75 HydrophobicContact CE3-CD1 4.34Å; W48-F75 AromaticContact CE3-CD2 3.95Å; W48-F75 HydrophobicContact CE3-CD2 3.95Å; W48-F75 HydrophobicContact CE3-CE1 4.12Å; W48-F75 AromaticContact CE3-CE2 3.73Å; W48-F75 HydrophobicContact CE3-CE2 3.73Å; W48-F75 HydrophobicContact CE3-CG 4.27Å; W48-F75 AromaticContact CE3-CZ 3.84Å; W48-F75 HydrophobicContact CE3-CZ 3.84Å; W48-F75 HydrophobicContact CZ3-CD1 4.45Å; W48-F75 HydrophobicContact CZ3-CE1 4.09Å; W48-F75 HydrophobicContact CZ3-CE2 4.46Å; W48-F75 HydrophobicContact CZ3-CZ 4.12Å
49K81Confident75.4Confident111 Ų11177.6 Ų77.648%0.48337%0.372SS..Hα-helixtrans-59.5-40.2172-79.7171-175.1163.60110.5V45 D46 R52 K53V45-K49 HydrophobicContact CG1-CD 4.09Å; V45-K49 VanDerWaalsContact CG1-CE 3.48Å; V45-K49 WeakPolarHBondContact O-CB 3.39Å; V45-K49 VanDerWaalsContact O-CG 3.27Å; V45-K49 WeakPolarHBondContact O-CG 3.31Å; V45-K49 PolarHBondContact O-N 2.89Å; D46-K49 WeakPolarHBondContact O-CB 3.29Å; D46-K49 PolarHBondContact O-N 3.23Å; D46-K49 IonicContact OD1-NZ 2.77Å; K49-R52 PolarHBondContact O-N 3.34Å; K49-K53 WeakPolarHBondContact O-CB 3.47Å; K49-K53 PolarHBondContact O-N 2.97Å
50D81.2Confident76.2Confident78 Ų7879.3 Ų79.342%0.41740%0.401SS..Hα-helixtrans-70.7-39.7-175.9-12642.3000113.2D46 E47 W48 C54 K71D46-D50 WeakPolarHBondContact O-CB 3.31Å; D46-D50 PolarHBondContact O-N 3.43Å; E47-D50 WeakPolarHBondContact O-CB 3.36Å; E47-D50 PolarHBondContact O-N 3.46Å; W48-D50 PolarHBondContact O-N 3.3Å; D50-C54 PolarHBondContact O-N 3.08Å; D50-C54 VanDerWaalsContact O-N 3.11Å; D50-K71 WeakPolarHBondContact O-CD 3.37Å; D50-K71 PolarHBondContact O-NZ 3.36Å; D50-K71 IonicContact OD2-NZ 3.8Å; D50-K71 PolarHBondContact OD2-NZ 3.13Å
51W78.7Confident76.9Confident49 Ų4982.9 Ų82.919%0.18642%0.417CS..Hα-helixtrans-63.8-47.2169.4178.280.5000111.5E47 W48 K53 C54 I55 K71 Y72E47-W51 PolarHBondContact O-N 3.27Å; W48-W51 HydrophobicContact CD2-CE3 4.39Å; W48-W51 AromaticContact CE3-CE3 3.93Å; W48-W51 HydrophobicContact CE3-CE3 3.93Å; W48-W51 HydrophobicContact CE3-CZ3 4.41Å; W48-W51 AromaticContact CH2-CE3 3.82Å; W48-W51 HydrophobicContact CH2-CE3 3.82Å; W48-W51 HydrophobicContact CH2-CH2 4.24Å; W48-W51 AromaticContact CH2-CZ3 3.44Å; W48-W51 HydrophobicContact CH2-CZ3 3.44Å; W48-W51 VanDerWaalsContact CH2-CZ3 3.44Å; W48-W51 HydrophobicContact CZ2-CE3 4.28Å; W48-W51 AromaticContact CZ2-CZ3 3.93Å; W48-W51 HydrophobicContact CZ2-CZ3 3.93Å; W48-W51 HydrophobicContact CZ3-CD2 4.38Å; W48-W51 AromaticContact CZ3-CE3 3.62Å; W48-W51 HydrophobicContact CZ3-CE3 3.62Å; W48-W51 AromaticContact CZ3-CZ3 3.72Å; W48-W51 HydrophobicContact CZ3-CZ3 3.72Å; W51-K53 VanDerWaalsContact C-N 3.3Å; W51-K53 PolarHBondContact O-N 3.21Å; W51-C54 WeakPolarHBondContact O-CB 3.44Å; W51-C54 PolarHBondContact O-N 2.77Å; W51-C54 VanDerWaalsContact O-N 3.09Å; W51-I55 HydrophobicContact CD2-CG1 4.06Å; W51-I55 HydrophobicContact CE3-CG1 4.49Å; W51-I55 HydrophobicContact CH2-CG1 4.18Å; W51-I55 HydrophobicContact CZ2-CD1 4.04Å; W51-I55 HydrophobicContact CZ2-CG1 3.71Å; W51-I55 PolarHBondContact O-N 2.94Å; W51-K71 HydrophobicContact CB-CB 4.43Å; W51-Y72 AromaticContact NE1-CD2 3.83Å
52R81Confident77.1Confident90 Ų9092.2 Ų92.234%0.3445%0.447SS..Hα-helixtrans-60.3-38.5176.6-81.8-167.2-71.1174-4.1112.5W48 K49 C54 I55 R56W48-R52 WeakPolarHBondContact O-CB 3Å; W48-R52 WeakPolarHBondContact O-CG 3.07Å; W48-R52 PolarHBondContact O-N 2.83Å; K49-R52 PolarHBondContact O-N 3.34Å; R52-C54 VanDerWaalsContact C-N 3.32Å; R52-I55 PolarHBondContact O-N 3.12Å; R52-R56 VanDerWaalsContact O-CB 3.32Å; R52-R56 WeakPolarHBondContact O-CB 3.5Å; R52-R56 VanDerWaalsContact O-CG 3.29Å; R52-R56 WeakPolarHBondContact O-CG 3.5Å; R52-R56 PolarHBondContact O-N 3.12Å
53K83.8Confident77.5Confident157 Ų15793.6 Ų93.668%0.68345%0.451SS*.Hα-helixtrans-62.8-41175.8-172.1176.5180-179.10111K49 W51 G57K49-K53 WeakPolarHBondContact O-CB 3.47Å; K49-K53 PolarHBondContact O-N 2.97Å; W51-K53 VanDerWaalsContact C-N 3.3Å; W51-K53 PolarHBondContact O-N 3.21Å; K53-G57 PolarHBondContact O-N 3.37Å
54C82.4Confident77.7Confident22 Ų2289.2 Ų89.215%0.14943%0.43CS..Hα-helixtrans-63.2-49.5175.2-175.40000111.9D50 W51 R52 R56 G57 K58 C68 K71D50-C54 PolarHBondContact O-N 3.08Å; D50-C54 VanDerWaalsContact O-N 3.11Å; W51-C54 WeakPolarHBondContact O-CB 3.44Å; W51-C54 PolarHBondContact O-N 2.77Å; W51-C54 VanDerWaalsContact O-N 3.09Å; R52-C54 VanDerWaalsContact C-N 3.32Å; C54-R56 VanDerWaalsContact C-N 3.34Å; C54-R56 PolarHBondContact O-N 3.44Å; C54-G57 PolarHBondContact O-N 3.23Å; C54-K58 PolarHBondContact O-N 2.85Å; C54-K58 VanDerWaalsContact O-N 3.12Å; C54-C68 HydrophobicContact CB-CB 3.89Å; C54-C68 WeakPolarHBondContact CB-SG 3.47Å; C54-C68 VanDerWaalsContact SG-CA 3.51Å; C54-C68 WeakPolarHBondContact SG-CB 3.47Å; C54-C68 CovalentContact SG-SG 2.04Å; C54-C68 PolarHBondContact SG-SG 3.45Å; C54-K71 HydrophobicContact CB-CD 3.87Å
55I81.7Confident77.5Confident47 Ų4793.7 Ų93.724%0.24146%0.457CS..Hα-helixtrans-62.7-41.9179.2-65.4-66.5000111.4W51 R52 K58 R59 T65 C68W51-I55 HydrophobicContact CD2-CG1 4.06Å; W51-I55 HydrophobicContact CE3-CG1 4.49Å; W51-I55 HydrophobicContact CH2-CG1 4.18Å; W51-I55 HydrophobicContact CZ2-CD1 4.04Å; W51-I55 HydrophobicContact CZ2-CG1 3.71Å; W51-I55 PolarHBondContact O-N 2.94Å; R52-I55 PolarHBondContact O-N 3.12Å; I55-K58 CarbonylContact O-C 3.51Å; I55-K58 PolarHBondContact O-N 3.11Å; I55-R59 PolarHBondContact O-N 3.05Å; I55-R59 VanDerWaalsContact O-N 3.08Å; I55-T65 HydrophobicContact CD1-CG2 4.17Å; I55-C68 HydrophobicContact CD1-CB 3.74Å; I55-C68 HydrophobicContact CG1-CB 4.26Å
56R83.4Confident77.4Confident175 Ų17599.8 Ų99.866%0.6647%0.474SS*.Hα-helixtrans-64.5-41.2177.5-77.1178.7177.4169.4-2.2112.2R52 C54 K58 R59R52-R56 VanDerWaalsContact O-CB 3.32Å; R52-R56 WeakPolarHBondContact O-CB 3.5Å; R52-R56 VanDerWaalsContact O-CG 3.29Å; R52-R56 WeakPolarHBondContact O-CG 3.5Å; R52-R56 PolarHBondContact O-N 3.12Å; C54-R56 VanDerWaalsContact C-N 3.34Å; C54-R56 PolarHBondContact O-N 3.44Å; R56-K58 PolarHBondContact O-N 3.26Å; R56-R59 WeakPolarHBondContact O-CB 3.26Å; R56-R59 PolarHBondContact O-N 3.41Å
57G84Confident77.3Confident66 Ų6698.6 Ų98.668%0.6847%0.468SS*.Hα-helixtrans-64.8-25.6176.100000113.4K53 C54K53-G57 PolarHBondContact O-N 3.37Å; C54-G57 PolarHBondContact O-N 3.23Å
58K77.3Confident77.5Confident56 Ų5695.5 Ų95.524%0.24345%0.454CS..THydrogen-bonded Turntrans-106.618-180-62.5-176.4167.5-89.70113.5C54 I55 R56 G60 E61 N67C54-K58 PolarHBondContact O-N 2.85Å; C54-K58 VanDerWaalsContact O-N 3.12Å; I55-K58 CarbonylContact O-C 3.51Å; I55-K58 PolarHBondContact O-N 3.11Å; R56-K58 PolarHBondContact O-N 3.26Å; K58-G60 VanDerWaalsContact C-N 3.25Å; K58-G60 PolarHBondContact O-N 3.28Å; K58-E61 HydrophobicContact CB-CB 4.34Å; K58-E61 HydrophobicContact CB-CG 4.4Å; K58-E61 WeakPolarHBondContact CD-OE2 3.45Å; K58-E61 IonicContact NZ-OE1 3.6Å; K58-E61 IonicContact NZ-OE2 2.77Å; K58-E61 PolarHBondContact NZ-OE2 3.22Å; K58-E61 PolarHBondContact O-N 2.95Å; K58-N67 HydrophobicContact CD-CB 3.61Å; K58-N67 VanDerWaalsContact CE-CB 3.45Å; K58-N67 PolarHBondContact NZ-ND2 3.17Å
59R70Confident77.6Confident229 Ų22999.5 Ų99.586%0.86447%0.472SS*.THydrogen-bonded Turntrans-69.980.3-179.9-170.4-178.1-177.9172.51109.8I55 R56I55-R59 PolarHBondContact O-N 3.05Å; I55-R59 VanDerWaalsContact O-N 3.08Å; R56-R59 WeakPolarHBondContact O-CB 3.26Å; R56-R59 PolarHBondContact O-N 3.41Å
60G74.7Confident77.6Confident82 Ų8298 Ų9885%0.84547%0.474SS*.THydrogen-bonded Turntrans149.3-20.1-174.400000112.7K58K58-G60 VanDerWaalsContact C-N 3.25Å; K58-G60 PolarHBondContact O-N 3.28Å
61E74.8Confident77.4Confident94 Ų9497.6 Ų97.644%0.43947%0.468SS..  trans-79.5127.5171.9-66.3175.8-155.200109.6K58 F63 G64 N67K58-E61 HydrophobicContact CB-CB 4.34Å; K58-E61 HydrophobicContact CB-CG 4.4Å; K58-E61 WeakPolarHBondContact CD-OE2 3.45Å; K58-E61 IonicContact NZ-OE1 3.6Å; K58-E61 IonicContact NZ-OE2 2.77Å; K58-E61 PolarHBondContact NZ-OE2 3.22Å; K58-E61 PolarHBondContact O-N 2.95Å; E61-F63 PolarHBondContact O-N 2.84Å; E61-G64 PolarHBondContact O-N 3.3Å; E61-N67 PolarHBondContact OE2-ND2 2.89Å
62W67.6Low77.2Confident234 Ų23498.8 Ų98.889%0.88647%0.473SS*.THydrogen-bonded Turntrans-56.6-22.6178.9-163.25.9000112.9
63F75.5Confident77.1Confident113 Ų11398.4 Ų98.450%0.49648%0.478SS..THydrogen-bonded Turntrans-117.824178.9-60.7-75.4000113.5E61 T65 W66 N67E61-F63 PolarHBondContact O-N 2.84Å; F63-T65 VanDerWaalsContact C-N 3.25Å; F63-T65 PolarHBondContact O-N 3.1Å; F63-W66 HydrophobicContact CB-CB 4.27Å; F63-W66 HydrophobicContact CD1-CG 4.31Å; F63-W66 PolarHBondContact O-N 2.97Å; F63-N67 PolarHBondContact O-N 3.34Å; F63-N67 PolarHBondContact O-ND2 3.42Å
64G71.5Confident76.7Confident5 Ų595.4 Ų95.45%0.05247%0.468CS..Hα-helixtrans-53.8-43.4-179.900000112.9E61 W66 N67 C68E61-G64 PolarHBondContact O-N 3.3Å; G64-W66 PolarHBondContact O-N 2.99Å; G64-N67 PolarHBondContact O-N 3.46Å; G64-C68 PolarHBondContact O-N 3.15Å; G64-C68 PolarHBondContact O-SG 2.96Å
65T71.7Confident76.2Confident96 Ų9694.4 Ų94.459%0.58946%0.461SS*.Hα-helixtrans-64.7-38.3177.9-31.50000112.8I55 F63 C68 K69I55-T65 HydrophobicContact CD1-CG2 4.17Å; F63-T65 VanDerWaalsContact C-N 3.25Å; F63-T65 PolarHBondContact O-N 3.1Å; T65-C68 CarbonylContact O-C 3.42Å; T65-C68 PolarHBondContact O-N 2.97Å; T65-K69 PolarHBondContact O-N 2.04Å; T65-K69 VanDerWaalsContact O-N 3.14Å
66W74.7Confident75.6Confident180 Ų18094.8 Ų94.868%0.68246%0.462SS*.Hα-helixtrans-68.1-42.4179.2-79.566.4000111.4F63 G64 C68 K69F63-W66 HydrophobicContact CB-CB 4.27Å; F63-W66 HydrophobicContact CD1-CG 4.31Å; F63-W66 PolarHBondContact O-N 2.97Å; G64-W66 PolarHBondContact O-N 2.99Å; W66-C68 PolarHBondContact O-N 3.08Å; W66-K69 WeakPolarHBondContact O-CB 3.33Å; W66-K69 PolarHBondContact O-N 3.09Å; W66-K69 VanDerWaalsContact O-N 3.07Å
67N76.1Confident75.1Confident85 Ų8592.9 Ų92.946%0.45546%0.461SS..Hα-helixtrans-64-28.2176-72.4-32.4000112.5K58 E61 F63 G64 P70K58-N67 HydrophobicContact CD-CB 3.61Å; K58-N67 VanDerWaalsContact CE-CB 3.45Å; K58-N67 PolarHBondContact NZ-ND2 3.17Å; E61-N67 PolarHBondContact OE2-ND2 2.89Å; F63-N67 PolarHBondContact O-N 3.34Å; F63-N67 PolarHBondContact O-ND2 3.42Å; G64-N67 PolarHBondContact O-N 3.46Å; N67-P70 WeakPolarHBondContact O-CD 3.49Å
68C80Confident74.5Confident0 Ų091.2 Ų91.20%044%0.438CS..THydrogen-bonded Turntrans-91.21.5176.3-570000113.7C54 I55 G64 T65 W66 P70 K71 Y72C54-C68 HydrophobicContact CB-CB 3.89Å; C54-C68 WeakPolarHBondContact CB-SG 3.47Å; C54-C68 VanDerWaalsContact SG-CA 3.51Å; C54-C68 WeakPolarHBondContact SG-CB 3.47Å; C54-C68 CovalentContact SG-SG 2.04Å; C54-C68 PolarHBondContact SG-SG 3.45Å; I55-C68 HydrophobicContact CD1-CB 3.74Å; I55-C68 HydrophobicContact CG1-CB 4.26Å; G64-C68 PolarHBondContact O-N 3.15Å; G64-C68 PolarHBondContact O-SG 2.96Å; T65-C68 CarbonylContact O-C 3.42Å; T65-C68 PolarHBondContact O-N 2.97Å; W66-C68 PolarHBondContact O-N 3.08Å; C68-P70 VanDerWaalsContact C-CD 3.5Å; C68-K71 PolarHBondContact O-N 3.46Å; C68-K71 VanDerWaalsContact O-N 3.13Å; C68-Y72 PolarHBondContact O-N 3.07Å
69K78.7Confident73.9Confident121 Ų12190.2 Ų90.253%0.52643%0.434SS..Hα-helixtrans-56.9-41.6177.5-171.5179.3-178.9-1790113T65 W66 K71 Y72 L73T65-K69 PolarHBondContact O-N 2.04Å; T65-K69 VanDerWaalsContact O-N 3.14Å; W66-K69 WeakPolarHBondContact O-CB 3.33Å; W66-K69 PolarHBondContact O-N 3.09Å; W66-K69 VanDerWaalsContact O-N 3.07Å; K69-K71 VanDerWaalsContact C-N 3.3Å; K69-K71 PolarHBondContact O-N 3.11Å; K69-Y72 WeakPolarHBondContact O-CB 3.5Å; K69-Y72 PolarHBondContact O-N 3.14Å; K69-Y72 VanDerWaalsContact O-N 3.11Å; K69-L73 WeakPolarHBondContact O-CG 3.48Å; K69-L73 PolarHBondContact O-N 3.34Å
70P81.9Confident73.6Confident80 Ų8082 Ų8252%0.51941%0.406SS..Hα-helixtrans-60.2-38.8175.5-2435000113N67 C68 Y72 L73 I74N67-P70 WeakPolarHBondContact O-CD 3.49Å; C68-P70 VanDerWaalsContact C-CD 3.5Å; P70-Y72 VanDerWaalsContact C-N 3.33Å; P70-L73 PolarHBondContact O-N 3.34Å; P70-I74 WeakPolarHBondContact O-CG1 3.32Å; P70-I74 PolarHBondContact O-N 3.43Å
71K76.2Confident72.7Confident69 Ų6989.6 Ų89.630%0.341%0.409SS..Hα-helixtrans-67.9-35.7175.3-65.9-154.5178-1550112.3D50 W51 C54 C68 K69 L73 I74 F75D50-K71 WeakPolarHBondContact O-CD 3.37Å; D50-K71 PolarHBondContact O-NZ 3.36Å; D50-K71 IonicContact OD2-NZ 3.8Å; D50-K71 PolarHBondContact OD2-NZ 3.13Å; W51-K71 HydrophobicContact CB-CB 4.43Å; C54-K71 HydrophobicContact CB-CD 3.87Å; C68-K71 PolarHBondContact O-N 3.46Å; C68-K71 VanDerWaalsContact O-N 3.13Å; K69-K71 VanDerWaalsContact C-N 3.3Å; K69-K71 PolarHBondContact O-N 3.11Å; K71-L73 VanDerWaalsContact C-N 3.32Å; K71-I74 PolarHBondContact O-N 3.01Å; K71-F75 WeakPolarHBondContact O-CB 3.07Å; K71-F75 PolarHBondContact O-N 3.08Å
72Y75Confident72.5Confident74 Ų7489.4 Ų89.429%0.2941%0.408SS..Hα-helixtrans-65.4-36.1174.3-172.7-100.9000112W51 C68 K69 P70 F75 E76W51-Y72 AromaticContact NE1-CD2 3.83Å; C68-Y72 PolarHBondContact O-N 3.07Å; K69-Y72 WeakPolarHBondContact O-CB 3.5Å; K69-Y72 PolarHBondContact O-N 3.14Å; K69-Y72 VanDerWaalsContact O-N 3.11Å; P70-Y72 VanDerWaalsContact C-N 3.33Å; Y72-F75 HydrophobicContact CD2-CD1 4.01Å; Y72-F75 AromaticContact CE2-CD1 3.88Å; Y72-F75 HydrophobicContact CE2-CD1 3.88Å; Y72-F75 HydrophobicContact CE2-CE1 4.16Å; Y72-F75 CarbonylContact O-C 3.57Å; Y72-F75 WeakPolarHBondContact O-CB 3.36Å; Y72-F75 PolarHBondContact O-N 3.23Å; Y72-E76 HydrophobicContact CD1-CG 4.16Å; Y72-E76 HydrophobicContact CE1-CG 3.71Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.33Å; Y72-E76 PolarHBondContact O-N 3.24Å; Y72-E76 PolarHBondContact OH-OE1 3.29Å
73L77.7Confident72.8Confident82 Ų8281.7 Ų81.743%0.42938%0.383SS..Hα-helixtrans-65.8-41174.6-69.9172.1000112.5K69 P70 K71 F75 E76 Q77K69-L73 WeakPolarHBondContact O-CG 3.48Å; K69-L73 PolarHBondContact O-N 3.34Å; P70-L73 PolarHBondContact O-N 3.34Å; K71-L73 VanDerWaalsContact C-N 3.32Å; L73-F75 VanDerWaalsContact C-N 3.25Å; L73-F75 PolarHBondContact O-N 3.12Å; L73-E76 PolarHBondContact O-N 3.18Å; L73-Q77 WeakPolarHBondContact O-CG 3.14Å; L73-Q77 PolarHBondContact O-N 3.43Å
74I77Confident72.7Confident94 Ų9480 Ų8048%0.48238%0.376SS..Hα-helixtrans-60-43.2173.4-64.9168000109.8E47 P70 K71 Q77 C78E47-I74 HydrophobicContact CG-CG2 4.01Å; P70-I74 WeakPolarHBondContact O-CG1 3.32Å; P70-I74 PolarHBondContact O-N 3.43Å; K71-I74 PolarHBondContact O-N 3.01Å; I74-Q77 WeakPolarHBondContact O-CB 3.41Å; I74-Q77 PolarHBondContact O-N 3.47Å; I74-C78 PolarHBondContact O-N 2.76Å
75F69.9Low72.7Confident1 Ų184.4 Ų84.40%0.00440%0.395CS..Hα-helixtrans-59.8-46.7174.7167.2-97.9000112I40 C44 E47 W48 K71 Y72 L73 Q77 C78 Q79I40-F75 HydrophobicContact CB-CE2 4.43Å; I40-F75 HydrophobicContact CB-CZ 3.97Å; I40-F75 HydrophobicContact CD1-CE1 4.49Å; I40-F75 HydrophobicContact CD1-CZ 4.04Å; I40-F75 HydrophobicContact CG1-CZ 3.82Å; I40-F75 HydrophobicContact CG2-CE1 4.27Å; I40-F75 HydrophobicContact CG2-CE2 3.44Å; I40-F75 VanDerWaalsContact CG2-CE2 3.44Å; I40-F75 HydrophobicContact CG2-CZ 3.16Å; C44-F75 HydrophobicContact CB-CD2 4.05Å; C44-F75 HydrophobicContact CB-CE2 3.9Å; E47-F75 HydrophobicContact CB-CB 4.2Å; E47-F75 HydrophobicContact CB-CD2 4.25Å; W48-F75 HydrophobicContact CB-CD2 4.24Å; W48-F75 HydrophobicContact CB-CE2 4.23Å; W48-F75 HydrophobicContact CD2-CE2 4.46Å; W48-F75 HydrophobicContact CE3-CD1 4.34Å; W48-F75 AromaticContact CE3-CD2 3.95Å; W48-F75 HydrophobicContact CE3-CD2 3.95Å; W48-F75 HydrophobicContact CE3-CE1 4.12Å; W48-F75 AromaticContact CE3-CE2 3.73Å; W48-F75 HydrophobicContact CE3-CE2 3.73Å; W48-F75 HydrophobicContact CE3-CG 4.27Å; W48-F75 AromaticContact CE3-CZ 3.84Å; W48-F75 HydrophobicContact CE3-CZ 3.84Å; W48-F75 HydrophobicContact CZ3-CD1 4.45Å; W48-F75 HydrophobicContact CZ3-CE1 4.09Å; W48-F75 HydrophobicContact CZ3-CE2 4.46Å; W48-F75 HydrophobicContact CZ3-CZ 4.12Å; K71-F75 WeakPolarHBondContact O-CB 3.07Å; K71-F75 PolarHBondContact O-N 3.08Å; Y72-F75 HydrophobicContact CD2-CD1 4.01Å; Y72-F75 AromaticContact CE2-CD1 3.88Å; Y72-F75 HydrophobicContact CE2-CD1 3.88Å; Y72-F75 HydrophobicContact CE2-CE1 4.16Å; Y72-F75 CarbonylContact O-C 3.57Å; Y72-F75 WeakPolarHBondContact O-CB 3.36Å; Y72-F75 PolarHBondContact O-N 3.23Å; L73-F75 VanDerWaalsContact C-N 3.25Å; L73-F75 PolarHBondContact O-N 3.12Å; F75-Q77 VanDerWaalsContact C-N 3.32Å; F75-Q77 PolarHBondContact O-N 3.21Å; F75-C78 WeakPolarHBondContact O-CB 3.47Å; F75-C78 PolarHBondContact O-N 3.02Å; F75-Q79 HydrophobicContact CE1-CG 4.34Å; F75-Q79 HydrophobicContact CE2-CG 4.32Å; F75-Q79 HydrophobicContact CZ-CG 3.98Å; F75-Q79 WeakPolarHBondContact O-CG 3.13Å; F75-Q79 PolarHBondContact O-N 3.48Å
76E70.1Confident72.8Confident54 Ų5483.7 Ų83.725%0.25238%0.383SS..Hα-helixtrans-61.8-37.8175-74.9-172.5147.400112.8Y72 L73 C78 Q79 M80Y72-E76 HydrophobicContact CD1-CG 4.16Å; Y72-E76 HydrophobicContact CE1-CG 3.71Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.33Å; Y72-E76 PolarHBondContact O-N 3.24Å; Y72-E76 PolarHBondContact OH-OE1 3.29Å; L73-E76 PolarHBondContact O-N 3.18Å; E76-C78 VanDerWaalsContact C-N 3.33Å; E76-C78 PolarHBondContact O-N 3.3Å; E76-Q79 WeakPolarHBondContact O-CB 3.5Å; E76-Q79 PolarHBondContact O-N 3.28Å; E76-M80 VanDerWaalsContact O-CG 3.26Å; E76-M80 WeakPolarHBondContact O-CG 3.03Å; E76-M80 PolarHBondContact O-N 3.05Å; E76-M80 VanDerWaalsContact O-N 3.11Å
77Q72.9Confident72.7Confident136 Ų13677.3 Ų77.364%0.63636%0.363SS*.Hα-helixtrans-64.4-37175.6-74.8175.2-1.300112.3L73 I74 F75 Q79 M80 R81L73-Q77 WeakPolarHBondContact O-CG 3.14Å; L73-Q77 PolarHBondContact O-N 3.43Å; I74-Q77 WeakPolarHBondContact O-CB 3.41Å; I74-Q77 PolarHBondContact O-N 3.47Å; F75-Q77 VanDerWaalsContact C-N 3.32Å; F75-Q77 PolarHBondContact O-N 3.21Å; Q77-Q79 VanDerWaalsContact C-N 3.26Å; Q77-Q79 PolarHBondContact O-N 3.04Å; Q77-M80 PolarHBondContact O-N 2.8Å; Q77-R81 PolarHBondContact O-N 2.97Å
78C70.6Confident72.4Confident31 Ų3176.7 Ų76.721%0.20936%0.357CS..Hα-helixtrans-61.9-37.6173.7174.90000111.3C44 E47 I74 F75 E76 M80 R81C44-C78 HydrophobicContact CB-CB 3.88Å; C44-C78 WeakPolarHBondContact CB-SG 3.5Å; C44-C78 WeakPolarHBondContact SG-CB 3.49Å; C44-C78 CovalentContact SG-SG 2.04Å; C44-C78 PolarHBondContact SG-SG 2.85Å; E47-C78 HydrophobicContact CG-CB 4.19Å; I74-C78 PolarHBondContact O-N 2.76Å; F75-C78 WeakPolarHBondContact O-CB 3.47Å; F75-C78 PolarHBondContact O-N 3.02Å; E76-C78 VanDerWaalsContact C-N 3.33Å; E76-C78 PolarHBondContact O-N 3.3Å; C78-M80 VanDerWaalsContact C-N 3.31Å; C78-M80 PolarHBondContact O-N 3.3Å; C78-R81 PolarHBondContact O-N 2.99Å
79Q64.7Low71.8Confident34 Ų3482.6 Ų82.616%0.15938%0.384CS..Hα-helixtrans-70.3-27.2176.2-52.7-169.7-78.900113.4Y4 A5 F75 E76 Q77 R81Y4-Q79 CarbonylContact C-O 3.56Å; Y4-Q79 WeakPolarHBondContact CA-O 3.29Å; Y4-Q79 WeakPolarHBondContact CB-O 3.33Å; Y4-Q79 HydrophobicContact CD1-CB 3.64Å; Y4-Q79 WeakPolarHBondContact CD1-O 3.44Å; Y4-Q79 HydrophobicContact CE1-CB 4.15Å; A5-Q79 PolarHBondContact N-O 3.26Å; F75-Q79 HydrophobicContact CE1-CG 4.34Å; F75-Q79 HydrophobicContact CE2-CG 4.32Å; F75-Q79 HydrophobicContact CZ-CG 3.98Å; F75-Q79 WeakPolarHBondContact O-CG 3.13Å; F75-Q79 PolarHBondContact O-N 3.48Å; E76-Q79 WeakPolarHBondContact O-CB 3.5Å; E76-Q79 PolarHBondContact O-N 3.28Å; Q77-Q79 VanDerWaalsContact C-N 3.26Å; Q77-Q79 PolarHBondContact O-N 3.04Å; Q79-R81 VanDerWaalsContact C-N 3.31Å
80M64Low71.3Confident57 Ų5779.4 Ų79.428%0.28137%0.373SS..THydrogen-bonded Turntrans-83.3-4.1-179.1-71.6-94.8-103.100114.1Q2 G3 Y4 E76 Q77 C78Q2-M80 HydrophobicContact CB-CE 3.82Å; Q2-M80 HydrophobicContact CB-SD 3.9Å; Q2-M80 HydrophobicContact CG-CE 4.26Å; G3-M80 CarbonylContact O-C 3.59Å; G3-M80 VanDerWaalsContact O-O 3.12Å; Y4-M80 HydrophobicContact CD1-CB 4.47Å; Y4-M80 HydrophobicContact CD1-CG 3.69Å; Y4-M80 HydrophobicContact CD1-SD 3.95Å; Y4-M80 HydrophobicContact CD2-SD 3.9Å; Y4-M80 HydrophobicContact CE1-CB 4.46Å; Y4-M80 HydrophobicContact CE1-CG 3.28Å; Y4-M80 HydrophobicContact CE1-SD 3.48Å; Y4-M80 WeakPolarHBondContact CE1-SD 3.4Å; Y4-M80 HydrophobicContact CE2-CG 4.34Å; Y4-M80 HydrophobicContact CE2-SD 3.37Å; Y4-M80 WeakPolarHBondContact CE2-SD 3.45Å; Y4-M80 HydrophobicContact CG-CG 4.38Å; Y4-M80 HydrophobicContact CG-SD 4.15Å; Y4-M80 PolarHBondContact OH-SD 3Å; Y4-M80 VanDerWaalsContact OH-SD 3.38Å; E76-M80 VanDerWaalsContact O-CG 3.26Å; E76-M80 WeakPolarHBondContact O-CG 3.03Å; E76-M80 PolarHBondContact O-N 3.05Å; E76-M80 VanDerWaalsContact O-N 3.11Å; Q77-M80 PolarHBondContact O-N 2.8Å; C78-M80 VanDerWaalsContact C-N 3.31Å; C78-M80 PolarHBondContact O-N 3.3Å
81R55.1Low70.3Confident241 Ų24179.4 Ų79.491%0.90936%0.359SS*.  trans-80.10-176.5-166.7175.9-172.3-179.52.2111.5Q77 C78 Q79Q77-R81 PolarHBondContact O-N 2.97Å; C78-R81 PolarHBondContact O-N 2.99Å; Q79-R81 VanDerWaalsContact C-N 3.31Å

Retrieved 81 of 81 residues in 20.2 ms (Link to these results)

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