A0A674DUB1_SALTR Loading...

RAB1A, member RAS oncogene family b

AlphaFold DB , UniProt , Accession A0A674DUB1, Species SALTR (Salmo trutta, Brown trout), Gene RAB1B, Length 202 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
1M46.3Very low82.2Confident239 Ų23980.8 Ų80.8100%1.17741%0.406SS*.  01190-74.3173.8172.500106.2
2N51.3Low83.3Confident163 Ų16374.1 Ų74.187%0.87237%0.372SS*.  trans-62.2134.3175.6-86.1-5.7000108.5E4N2-E4 PolarHBondContact O-N 3.22Å
3P67.1Low84.3Confident82 Ų8268.5 Ų68.553%0.53234%0.344SS..  trans-60.9135.517524.4-30.5000109.2Y5P3-Y5 PolarHBondContact O-N 2.96Å
4E84Confident85Confident178 Ų17863.6 Ų63.683%0.83232%0.319SS*.SBendtrans-68.10.1-179.8-160.7178.5-176.700112.8N2N2-E4 PolarHBondContact O-N 3.22Å
5Y89.3Confident85.6Confident71 Ų7159.3 Ų59.328%0.27830%0.298SS..  trans-148.5149.9-178.256.9-92.9000110.5P3 Y7 L8 K58P3-Y5 PolarHBondContact O-N 2.96Å; Y5-Y7 VanDerWaalsContact CD2-O 3.26Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.45Å; Y5-L8 HydrophobicContact CD2-CB 4.28Å; Y5-L8 HydrophobicContact CE2-CB 3.66Å; Y5-K58 HydrophobicContact CD1-CB 4.19Å; Y5-K58 HydrophobicContact CD1-CD 3.76Å; Y5-K58 HydrophobicContact CD2-CB 4.28Å; Y5-K58 HydrophobicContact CE1-CD 3.86Å; Y5-K58 HydrophobicContact CG-CB 3.94Å; Y5-K58 HydrophobicContact CG-CD 4.36Å
6D91.1Very high86.1Confident47 Ų4756.8 Ų56.825%0.25129%0.286SS..SBendtrans-77.9-37.2174.9-65.6-92.1000111.8K55 T56D6-K55 HydrophobicContact CB-CB 4.29Å; D6-K55 HydrophobicContact CB-CD 3.91Å; D6-K55 VanDerWaalsContact OD1-CD 3.24Å; D6-K55 WeakPolarHBondContact OD1-CD 3.49Å; D6-K55 IonicContact OD1-NZ 2.65Å; D6-K55 PolarHBondContact OD1-NZ 3.01Å; D6-K55 WeakPolarHBondContact OD2-CA 3.49Å; D6-K55 WeakPolarHBondContact OD2-CD 3.33Å; D6-T56 PolarHBondContact N-O 3Å; D6-T56 PolarHBondContact OD2-N 3.22Å
7Y92.9Very high86.3Confident16 Ų1656.4 Ų56.46%0.06329%0.289CS..EExtended strand (participates in β ladder)trans-136.5147-174.4-62.3-79000112.5Y5 F9 K55 T56 I57 K58 A177Y5-Y7 VanDerWaalsContact CD2-O 3.26Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.45Å; Y7-F9 AromaticContact CD1-CE1 3.96Å; Y7-F9 HydrophobicContact CD1-CE1 3.96Å; Y7-F9 HydrophobicContact CD1-CZ 4.19Å; Y7-F9 AromaticContact CG-CE1 3.96Å; Y7-F9 HydrophobicContact CG-CE1 3.96Å; Y7-F9 AromaticContact CG-CZ 3.97Å; Y7-F9 HydrophobicContact CG-CZ 3.97Å; Y7-K55 HydrophobicContact CD2-CB 4.22Å; Y7-K55 HydrophobicContact CE2-CB 4.04Å; Y7-K55 HydrophobicContact CE2-CD 4.18Å; Y7-K55 HydrophobicContact CE2-CG 4Å; Y7-T56 PolarHBondContact N-O 3.16Å; Y7-I57 HydrophobicContact CD2-CG1 4.11Å; Y7-K58 PolarHBondContact O-N 2.96Å; Y7-A177 WeakPolarHBondContact CE1-O 3.35Å
8L94.5Very high86.6Confident59 Ų5954.7 Ų54.731%0.30929%0.288SS..EExtended strand (participates in β ladder)trans-122.3112.4171.8-179.967.3000109.2Y5 K58 Q60Y5-L8 HydrophobicContact CD2-CB 4.28Å; Y5-L8 HydrophobicContact CE2-CB 3.66Å; L8-K58 WeakPolarHBondContact CA-O 3.41Å; L8-K58 HydrophobicContact CD1-CB 3.83Å; L8-K58 HydrophobicContact CD1-CD 4.06Å; L8-K58 HydrophobicContact CD1-CG 3.84Å; L8-Q60 HydrophobicContact CD1-CG 3.73Å
9F95.9Very high87Confident0 Ų051.8 Ų51.80%027%0.273CS..EExtended strand (participates in β ladder)trans-110.7127.8178.4-58-20000111Y7 I57 K58 L59 Q60 A166 I169 K170 M173Y7-F9 AromaticContact CD1-CE1 3.96Å; Y7-F9 HydrophobicContact CD1-CE1 3.96Å; Y7-F9 HydrophobicContact CD1-CZ 4.19Å; Y7-F9 AromaticContact CG-CE1 3.96Å; Y7-F9 HydrophobicContact CG-CE1 3.96Å; Y7-F9 AromaticContact CG-CZ 3.97Å; Y7-F9 HydrophobicContact CG-CZ 3.97Å; F9-I57 HydrophobicContact CD2-CG2 3.52Å; F9-I57 HydrophobicContact CE2-CD1 3.88Å; F9-I57 HydrophobicContact CE2-CG2 3.64Å; F9-I57 HydrophobicContact CG-CG2 4.03Å; F9-I57 HydrophobicContact CZ-CD1 4.32Å; F9-I57 HydrophobicContact CZ-CG2 4.2Å; F9-K58 PolarHBondContact N-O 2.81Å; F9-L59 HydrophobicContact CB-CD2 3.89Å; F9-L59 HydrophobicContact CD2-CD2 4Å; F9-L59 HydrophobicContact CG-CD2 4.39Å; F9-Q60 PolarHBondContact O-N 3.42Å; F9-A166 HydrophobicContact CD2-CB 4.36Å; F9-A166 WeakPolarHBondContact CE2-O 3.41Å; F9-I169 HydrophobicContact CB-CD1 4.44Å; F9-I169 HydrophobicContact CD1-CG2 3.78Å; F9-I169 HydrophobicContact CD2-CB 4.07Å; F9-I169 HydrophobicContact CD2-CD1 4.31Å; F9-I169 HydrophobicContact CD2-CG2 3.77Å; F9-I169 HydrophobicContact CE1-CG2 3.83Å; F9-I169 HydrophobicContact CE2-CB 4.02Å; F9-I169 HydrophobicContact CE2-CG2 3.77Å; F9-I169 HydrophobicContact CG-CD1 4.5Å; F9-I169 HydrophobicContact CG-CG2 3.79Å; F9-I169 HydrophobicContact CZ-CB 4.46Å; F9-I169 HydrophobicContact CZ-CG2 3.81Å; F9-K170 HydrophobicContact CE2-CB 4.18Å; F9-K170 HydrophobicContact CZ-CB 4.05Å; F9-M173 HydrophobicContact CD1-CE 3.35Å; F9-M173 HydrophobicContact CE1-CE 3.02Å; F9-M173 HydrophobicContact CG-CE 4.47Å; F9-M173 HydrophobicContact CZ-CE 3.89Å
10K95.4Very high87.4Confident34 Ų3449.8 Ų49.815%0.14827%0.265CS..EExtended strand (participates in β ladder)trans-88.6116.4169.3-179176.9168.4-169.70109.7Q60 Y77 R79 H82 G83K10-Q60 CarbonylContact C-O 3.44Å; K10-Q60 WeakPolarHBondContact CA-O 3.33Å; K10-Y77 WeakPolarHBondContact CE-O 3.44Å; K10-Y77 PolarHBondContact NZ-O 3.44Å; K10-R79 PolarHBondContact NZ-O 3.29Å; K10-H82 PolarHBondContact N-ND1 3.46Å; K10-H82 PolarHBondContact O-N 3.37Å; K10-G83 PolarHBondContact O-N 2.79Å
11L96.6Very high87.7Confident0 Ų047.9 Ų47.90%025%0.254CS..EExtended strand (participates in β ladder)trans-109.5146.5175.3-55-171.9000110.7L59 Q60 I61 W62 G83 F162 M165 I169L11-L59 HydrophobicContact CD1-CD1 4.28Å; L11-L59 HydrophobicContact CD1-CD2 4.25Å; L11-Q60 PolarHBondContact N-O 3.27Å; L11-I61 HydrophobicContact CB-CG1 4.28Å; L11-I61 HydrophobicContact CB-CG2 4.36Å; L11-I61 HydrophobicContact CD1-CG1 4.28Å; L11-W62 PolarHBondContact O-N 3.17Å; L11-G83 WeakPolarHBondContact CA-O 3.29Å; L11-F162 HydrophobicContact CD1-CD1 4.11Å; L11-M165 HydrophobicContact CD1-CG 4.14Å; L11-M165 HydrophobicContact CD2-CG 3.64Å; L11-I169 HydrophobicContact CD2-CD1 3.32Å
12L95.5Very high89.9Confident0 Ų037.9 Ų37.90%021%0.208CC..EExtended strand (participates in β ladder)trans-125.5131.9175.6-170.967.3000109.7I14 W62 T64 Y78 G83 I84 I85L12-I14 HydrophobicContact CD2-CG2 3.78Å; L12-I14 HydrophobicContact CG-CG2 3.81Å; L12-W62 HydrophobicContact CD1-CB 3.53Å; L12-W62 HydrophobicContact CD1-CG 4.49Å; L12-T64 HydrophobicContact CD1-CG2 3.42Å; L12-T64 VanDerWaalsContact CD1-CG2 3.42Å; L12-T64 HydrophobicContact CG-CG2 4.14Å; L12-Y78 HydrophobicContact CD2-CD1 4.02Å; L12-Y78 HydrophobicContact CD2-CD2 4.21Å; L12-Y78 HydrophobicContact CD2-CE1 4.22Å; L12-Y78 HydrophobicContact CD2-CE2 4.44Å; L12-Y78 HydrophobicContact CD2-CG 4.01Å; L12-G83 PolarHBondContact N-O 3.38Å; L12-G83 VanDerWaalsContact N-O 3.13Å; L12-I84 HydrophobicContact CB-CG1 4.17Å; L12-I84 WeakPolarHBondContact O-CA 3.46Å; L12-I85 PolarHBondContact O-N 3.38Å
13L95.5Very high92Very high1 Ų131.6 Ų31.61%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-97122.5170.4-56.4-177000109K21 L25 I61 W62 D63 T64 I85 F162L13-K21 HydrophobicContact CB-CB 4.23Å; L13-K21 HydrophobicContact CB-CD 4.38Å; L13-K21 HydrophobicContact CD1-CB 4.42Å; L13-K21 WeakPolarHBondContact CD1-O 3.36Å; L13-L25 HydrophobicContact CD1-CB 3.89Å; L13-I61 HydrophobicContact CD1-CG2 4.29Å; L13-I61 HydrophobicContact CD2-CG2 4.48Å; L13-I61 HydrophobicContact CG-CG2 4.08Å; L13-W62 PolarHBondContact N-O 3.46Å; L13-D63 HydrophobicContact CD1-CB 4.49Å; L13-T64 PolarHBondContact O-OG1 3.04Å; L13-I85 HydrophobicContact CD2-CB 3.69Å; L13-I85 HydrophobicContact CD2-CD1 3.86Å; L13-I85 HydrophobicContact CD2-CG1 4.15Å; L13-I85 HydrophobicContact CD2-CG2 4.24Å; L13-F162 HydrophobicContact CD1-CZ 4.34Å; L13-F162 HydrophobicContact CD2-CE1 3.96Å; L13-F162 HydrophobicContact CD2-CZ 4.11Å
14I94.3Very high93.3Very high0 Ų028 Ų280%015%0.153CC..EExtended strand (participates in β ladder)trans-128.4165.4175.870.3172000110.9L12 K21 Y78 I84 I85 V86 V87 W102 I106L12-I14 HydrophobicContact CD2-CG2 3.78Å; L12-I14 HydrophobicContact CG-CG2 3.81Å; I14-K21 WeakPolarHBondContact O-CD 3.13Å; I14-Y78 HydrophobicContact CD1-CE1 4.05Å; I14-Y78 HydrophobicContact CG2-CE1 4.32Å; I14-I84 HydrophobicContact CD1-CG2 3.76Å; I14-I84 HydrophobicContact CG1-CG2 3.79Å; I14-I84 HydrophobicContact CG2-CG2 4.26Å; I14-I85 PolarHBondContact N-O 2.86Å; I14-V86 HydrophobicContact CD1-CG2 4Å; I14-V86 HydrophobicContact CG1-CB 4.32Å; I14-V86 HydrophobicContact CG1-CG1 4.28Å; I14-V86 HydrophobicContact CG1-CG2 3.94Å; I14-V87 PolarHBondContact O-N 3.48Å; I14-W102 HydrophobicContact CB-CE3 4.1Å; I14-W102 HydrophobicContact CB-CZ3 4.39Å; I14-W102 HydrophobicContact CD1-CB 3.91Å; I14-W102 HydrophobicContact CD1-CD2 4.47Å; I14-W102 HydrophobicContact CD1-CE3 4.02Å; I14-W102 HydrophobicContact CD1-CG 4.49Å; I14-W102 HydrophobicContact CG1-CE3 4.39Å; I14-I106 HydrophobicContact CD1-CD1 3.83Å; I14-I106 HydrophobicContact CD1-CG1 3.74Å
15G94.4Very high93.8Very high0 Ų019.6 Ų19.60%011%0.114CC..  trans137.2169.6-173.900000111.7K21 G66 V87 W102G15-K21 PolarHBondContact O-NZ 3.47Å; G15-G66 VanDerWaalsContact O-CA 3.28Å; G15-G66 WeakPolarHBondContact O-CA 3.49Å; G15-V87 WeakPolarHBondContact CA-O 3.41Å; G15-W102 VanDerWaalsContact C-CE2 3.49Å; G15-W102 WeakPolarHBondContact O-CZ2 3.32Å
16D92.9Very high94Very high19 Ų1918.4 Ų18.410%0.10211%0.112CC..  trans-63.2163.5-174.3-74.9-2.5000113.3V19 K21 R71 N98 W102D16-V19 HydrophobicContact CB-CG1 3.87Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.49Å; D16-K21 PolarHBondContact O-NZ 3.39Å; D16-R71 IonicContact OD1-NH2 3.21Å; D16-R71 PolarHBondContact OD1-NH2 3.01Å; D16-N98 WeakPolarHBondContact OD2-CB 3.44Å; D16-N98 PolarHBondContact OD2-ND2 2.95Å; D16-W102 PolarHBondContact OD1-NE1 3.13Å
17S90.6Very high94.2Very high49 Ų4918.3 Ų18.334%0.34311%0.108SC..THydrogen-bonded Turntrans-61.8140.2174-166.30000110V19 Y37 G66S17-V19 VanDerWaalsContact C-N 3.3Å; S17-V19 PolarHBondContact O-N 3.5Å; S17-Y37 PolarHBondContact OG-OH 3.11Å; S17-G66 PolarHBondContact N-O 2.84Å; S17-G66 VanDerWaalsContact N-O 3.07Å
18G90.9Very high94.3Very high27 Ų2717.7 Ų17.728%0.27811%0.106SC..THydrogen-bonded Turntrans80.6-7.3176.100000117G20 Y37 K122G18-G20 PolarHBondContact O-N 3.31Å; G18-Y37 PolarHBondContact N-OH 2.9Å; G18-K122 WeakPolarHBondContact O-CE 3.21Å; G18-K122 PolarHBondContact O-NZ 3.28Å
19V94.8Very high94.1Very high0 Ų016.1 Ų16.10%010%0.101CC..SBendtrans-69.5-15.4178.9-54.70000113.8D16 S17 K21 V87 D89 N121D16-V19 HydrophobicContact CB-CG1 3.87Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.49Å; S17-V19 VanDerWaalsContact C-N 3.3Å; S17-V19 PolarHBondContact O-N 3.5Å; V19-K21 HydrophobicContact CG2-CD 4.38Å; V19-K21 HydrophobicContact CG2-CG 3.74Å; V19-V87 HydrophobicContact CB-CG1 4.39Å; V19-V87 HydrophobicContact CG2-CB 4Å; V19-V87 HydrophobicContact CG2-CG1 3.86Å; V19-D89 HydrophobicContact CB-CB 4.24Å; V19-D89 HydrophobicContact CG1-CB 4.21Å; V19-N121 PolarHBondContact O-ND2 3.23Å
20G93.9Very high93.8Very high11 Ų1119.5 Ų19.511%0.11312%0.119CC..  trans98.626.8173.200000116.1G18 C23 L24G18-G20 PolarHBondContact O-N 3.31Å; G20-C23 PolarHBondContact O-N 3.48Å; G20-L24 PolarHBondContact O-N 3.26Å
21K94.6Very high93.6Very high9 Ų923.3 Ų23.34%0.03914%0.141CC..Hα-helixtrans-53.8-52.1174.5-58.7-176.5-61.2-74.20112.7L13 I14 G15 D16 V19 C23 L24 L25 D63 T64 V87L13-K21 HydrophobicContact CB-CB 4.23Å; L13-K21 HydrophobicContact CB-CD 4.38Å; L13-K21 HydrophobicContact CD1-CB 4.42Å; L13-K21 WeakPolarHBondContact CD1-O 3.36Å; I14-K21 WeakPolarHBondContact O-CD 3.13Å; G15-K21 PolarHBondContact O-NZ 3.47Å; D16-K21 PolarHBondContact O-NZ 3.39Å; V19-K21 HydrophobicContact CG2-CD 4.38Å; V19-K21 HydrophobicContact CG2-CG 3.74Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 3.05Å; K21-L24 WeakPolarHBondContact O-CB 3.36Å; K21-L24 PolarHBondContact O-N 3.02Å; K21-L24 VanDerWaalsContact O-N 3.15Å; K21-L25 PolarHBondContact O-N 3.44Å; K21-D63 WeakPolarHBondContact CB-OD1 3.16Å; K21-T64 WeakPolarHBondContact CE-O 3.12Å; K21-V87 HydrophobicContact CG-CB 3.97Å; K21-V87 HydrophobicContact CG-CG1 4.49Å; K21-V87 HydrophobicContact CG-CG2 4.06Å
22S93Very high93.2Very high30 Ų3026.6 Ų26.621%0.2116%0.161CC..Hα-helixtrans-61.8-38.7177.7-40.20000112.1L25 L26 T40 D63S22-L25 PolarHBondContact O-N 2.86Å; S22-L26 WeakPolarHBondContact O-CB 2.85Å; S22-L26 VanDerWaalsContact O-CG 3.29Å; S22-L26 WeakPolarHBondContact O-CG 3.49Å; S22-L26 PolarHBondContact O-N 3.33Å; S22-T40 PolarHBondContact OG-OG1 2.64Å; S22-D63 WeakPolarHBondContact CA-OD2 3.38Å; S22-D63 WeakPolarHBondContact CB-OD2 3.49Å; S22-D63 PolarHBondContact N-OD1 3.34Å; S22-D63 PolarHBondContact OG-OD2 3.25Å
23C93.9Very high92.9Very high31 Ų3130.6 Ų30.621%0.20918%0.177CC..Hα-helixtrans-66.2-39.2176.1-55.60000111.8G20 K21 R27 Y33 A152G20-C23 PolarHBondContact O-N 3.48Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 3.05Å; C23-R27 WeakPolarHBondContact O-CB 3.24Å; C23-R27 PolarHBondContact O-N 3.1Å; C23-Y33 HydrophobicContact CB-CD2 4.3Å; C23-Y33 HydrophobicContact CB-CE2 4.29Å; C23-A152 HydrophobicContact CB-CB 3.57Å
24L95.4Very high92.3Very high6 Ų633.7 Ų33.73%0.03120%0.196CC..Hα-helixtrans-63.5-43.1173.3-74.3171000111G20 K21 F28 V87 V119 N121 A150 A152 V158G20-L24 PolarHBondContact O-N 3.26Å; K21-L24 WeakPolarHBondContact O-CB 3.36Å; K21-L24 PolarHBondContact O-N 3.02Å; K21-L24 VanDerWaalsContact O-N 3.15Å; L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.35Å; L24-F28 PolarHBondContact O-N 2.84Å; L24-V87 HydrophobicContact CD1-CG1 3.82Å; L24-V87 HydrophobicContact CD1-CG2 4.07Å; L24-V119 HydrophobicContact CD1-CG1 4.16Å; L24-N121 HydrophobicContact CD1-CB 4.24Å; L24-A150 HydrophobicContact CD2-CB 4.15Å; L24-A152 HydrophobicContact CD2-CB 4.06Å; L24-A152 HydrophobicContact CG-CB 4.29Å; L24-V158 HydrophobicContact CD2-CB 4.49Å; L24-V158 HydrophobicContact CD2-CG1 4.24Å; L24-V158 HydrophobicContact CD2-CG2 3.74Å
25L94.7Very high91.4Very high1 Ų140.3 Ų40.31%0.00523%0.227CC..Hα-helixtrans-61.8-49.7176.8-179.556.1000111.8L13 K21 S22 F28 A29 K46 I61 D63L13-L25 HydrophobicContact CD1-CB 3.89Å; K21-L25 PolarHBondContact O-N 3.44Å; S22-L25 PolarHBondContact O-N 2.86Å; L25-F28 PolarHBondContact O-N 2.99Å; L25-A29 VanDerWaalsContact O-CB 3.28Å; L25-A29 WeakPolarHBondContact O-CB 3.42Å; L25-A29 PolarHBondContact O-N 3.1Å; L25-K46 HydrophobicContact CD1-CB 3.94Å; L25-K46 HydrophobicContact CD1-CG 4.32Å; L25-K46 HydrophobicContact CD2-CB 4.16Å; L25-K46 HydrophobicContact CD2-CG 3.92Å; L25-K46 HydrophobicContact CG-CB 4.22Å; L25-K46 HydrophobicContact CG-CG 4.05Å; L25-I61 HydrophobicContact CD1-CB 3.72Å; L25-I61 HydrophobicContact CD1-CD1 3.98Å; L25-I61 HydrophobicContact CD1-CG1 4.46Å; L25-I61 HydrophobicContact CD1-CG2 3.55Å; L25-D63 HydrophobicContact CD2-CB 3.53Å
26L92.8Very high90.4Very high47 Ų4743.6 Ų43.625%0.24625%0.25CS..Hα-helixtrans-64.9-41-180-71.5173.2000111.8S22 F28 A29 D30 D31 T32S22-L26 WeakPolarHBondContact O-CB 2.85Å; S22-L26 VanDerWaalsContact O-CG 3.29Å; S22-L26 WeakPolarHBondContact O-CG 3.49Å; S22-L26 PolarHBondContact O-N 3.33Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 3.38Å; L26-A29 PolarHBondContact O-N 3.37Å; L26-D30 WeakPolarHBondContact O-CA 3.27Å; L26-D30 PolarHBondContact O-N 3.43Å; L26-D31 PolarHBondContact O-N 3.05Å; L26-T32 CarbonylContact C-O 3.4Å
27R95Very high89Confident44 Ų4449.1 Ų49.117%0.16627%0.27CS..Hα-helixtrans-62.7-40.3175.4176.75773.2-172.95.8111.2C23 D31 T32 A152 K153 A155 V158C23-R27 WeakPolarHBondContact O-CB 3.24Å; C23-R27 PolarHBondContact O-N 3.1Å; R27-D31 WeakPolarHBondContact CD-OD1 3.37Å; R27-D31 IonicContact CZ-OD1 2.98Å; R27-D31 VanDerWaalsContact NH1-C 3.34Å; R27-D31 PolarHBondContact NH1-O 2.86Å; R27-D31 IonicContact NH1-OD1 2.66Å; R27-D31 PolarHBondContact NH1-OD1 3.16Å; R27-D31 VanDerWaalsContact O-CA 3.28Å; R27-D31 WeakPolarHBondContact O-CA 3.49Å; R27-D31 PolarHBondContact O-N 3.29Å; R27-T32 VanDerWaalsContact CA-O 3.31Å; R27-T32 WeakPolarHBondContact CA-O 3.21Å; R27-T32 PolarHBondContact N-O 3.18Å; R27-A152 HydrophobicContact CB-CB 4.47Å; R27-A152 PolarHBondContact NE-O 2.81Å; R27-K153 PolarHBondContact NH2-O 2.94Å; R27-A155 HydrophobicContact CG-CB 4.23Å; R27-V158 HydrophobicContact CB-CG1 4.17Å; R27-V158 HydrophobicContact CG-CB 4.15Å; R27-V158 HydrophobicContact CG-CG1 3.88Å; R27-V158 HydrophobicContact CG-CG2 3.99Å
28F95.2Very high88.2Confident3 Ų353.1 Ų53.11%0.01329%0.287CS..Hα-helixtrans-72.2-47176.3-178.9-106000112.3L24 L25 L26 R48 I50 L59 I61 V158 E159 F162L24-F28 VanDerWaalsContact O-CB 3.31Å; L24-F28 WeakPolarHBondContact O-CB 3.35Å; L24-F28 PolarHBondContact O-N 2.84Å; L25-F28 PolarHBondContact O-N 2.99Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 3.38Å; F28-R48 HydrophobicContact CE1-CB 3.96Å; F28-R48 HydrophobicContact CE1-CG 4.12Å; F28-R48 HydrophobicContact CZ-CG 4.44Å; F28-R48 WeakPolarHBondContact O-CD 3.45Å; F28-R48 PolarHBondContact O-NH1 2.93Å; F28-I50 HydrophobicContact CZ-CG2 4.08Å; F28-L59 HydrophobicContact CE1-CD1 4.09Å; F28-L59 HydrophobicContact CZ-CD1 3.99Å; F28-I61 HydrophobicContact CD1-CD1 3.59Å; F28-I61 HydrophobicContact CE1-CD1 3.54Å; F28-V158 HydrophobicContact CB-CG1 3.97Å; F28-E159 VanDerWaalsContact CD2-OE2 3.28Å; F28-E159 WeakPolarHBondContact CD2-OE2 3.27Å; F28-E159 VanDerWaalsContact CE2-OE2 3.23Å; F28-E159 WeakPolarHBondContact CE2-OE2 3.36Å; F28-F162 HydrophobicContact CB-CD2 3.66Å; F28-F162 HydrophobicContact CB-CE2 3.49Å; F28-F162 VanDerWaalsContact CB-CE2 3.49Å; F28-F162 HydrophobicContact CB-CZ 4.23Å; F28-F162 HydrophobicContact CD1-CB 4.37Å; F28-F162 HydrophobicContact CD1-CD1 4.19Å; F28-F162 AromaticContact CD1-CD2 3.86Å; F28-F162 HydrophobicContact CD1-CD2 3.86Å; F28-F162 HydrophobicContact CD1-CE1 4.48Å; F28-F162 HydrophobicContact CD1-CE2 4.18Å; F28-F162 AromaticContact CD1-CG 3.88Å; F28-F162 HydrophobicContact CD1-CG 3.88Å; F28-F162 HydrophobicContact CD1-CZ 4.47Å; F28-F162 HydrophobicContact CD2-CB 3.84Å; F28-F162 AromaticContact CD2-CD2 3.35Å; F28-F162 HydrophobicContact CD2-CD2 3.35Å; F28-F162 HydrophobicContact CD2-CE2 4.13Å; F28-F162 AromaticContact CD2-CG 3.78Å; F28-F162 HydrophobicContact CD2-CG 3.78Å; F28-F162 HydrophobicContact CE1-CB 4Å; F28-F162 HydrophobicContact CE1-CD1 4.27Å; F28-F162 HydrophobicContact CE1-CD2 4.36Å; F28-F162 AromaticContact CE1-CG 3.96Å; F28-F162 HydrophobicContact CE1-CG 3.96Å; F28-F162 HydrophobicContact CE2-CB 3.42Å; F28-F162 VanDerWaalsContact CE2-CB 3.42Å; F28-F162 AromaticContact CE2-CD2 3.92Å; F28-F162 HydrophobicContact CE2-CD2 3.92Å; F28-F162 AromaticContact CE2-CG 3.86Å; F28-F162 HydrophobicContact CE2-CG 3.86Å; F28-F162 HydrophobicContact CG-CB 4.3Å; F28-F162 HydrophobicContact CG-CD1 4.48Å; F28-F162 AromaticContact CG-CD2 3.33Å; F28-F162 HydrophobicContact CG-CD2 3.33Å; F28-F162 AromaticContact CG-CE2 3.68Å; F28-F162 HydrophobicContact CG-CE2 3.68Å; F28-F162 AromaticContact CG-CG 3.79Å; F28-F162 HydrophobicContact CG-CG 3.79Å; F28-F162 HydrophobicContact CG-CZ 4.38Å; F28-F162 HydrophobicContact CZ-CB 3.52Å; F28-F162 HydrophobicContact CZ-CD2 4.39Å; F28-F162 AromaticContact CZ-CG 3.96Å; F28-F162 HydrophobicContact CZ-CG 3.96Å
29A91.1Very high87.4Confident26 Ų2654.7 Ų54.722%0.21529%0.294CS..Hα-helixtrans-78-40.6-171.500000113.2L25 L26 K46L25-A29 VanDerWaalsContact O-CB 3.28Å; L25-A29 WeakPolarHBondContact O-CB 3.42Å; L25-A29 PolarHBondContact O-N 3.1Å; L26-A29 PolarHBondContact O-N 3.37Å; A29-K46 HydrophobicContact CB-CB 4.04Å; A29-K46 HydrophobicContact CB-CD 4.15Å; A29-K46 HydrophobicContact CB-CG 4.09Å
30D89.8Confident86.2Confident72 Ų7256.3 Ų56.339%0.38530%0.303SS..Hα-helixtrans-120.9-1.4-167.5-53.7-27.6000112.8L26 T32 K46L26-D30 WeakPolarHBondContact O-CA 3.27Å; L26-D30 PolarHBondContact O-N 3.43Å; D30-T32 HydrophobicContact CB-CG2 4.22Å; D30-T32 WeakPolarHBondContact O-CG2 3.38Å; D30-T32 PolarHBondContact O-N 3.17Å; D30-K46 IonicContact OD1-NZ 2.72Å; D30-K46 PolarHBondContact OD1-NZ 3.12Å; D30-K46 IonicContact OD2-NZ 2.65Å; D30-K46 PolarHBondContact OD2-NZ 3.49Å
31D90.9Very high85.1Confident114 Ų11463.2 Ų63.261%0.6134%0.336SS*.SBendtrans50.237.9-170.3-163.622.9000113.8L26 R27L26-D31 PolarHBondContact O-N 3.05Å; R27-D31 WeakPolarHBondContact CD-OD1 3.37Å; R27-D31 IonicContact CZ-OD1 2.98Å; R27-D31 VanDerWaalsContact NH1-C 3.34Å; R27-D31 PolarHBondContact NH1-O 2.86Å; R27-D31 IonicContact NH1-OD1 2.66Å; R27-D31 PolarHBondContact NH1-OD1 3.16Å; R27-D31 VanDerWaalsContact O-CA 3.28Å; R27-D31 WeakPolarHBondContact O-CA 3.49Å; R27-D31 PolarHBondContact O-N 3.29Å
32T87.9Confident83.9Confident68 Ų6863.9 Ų63.942%0.41735%0.346SS..  trans-117.6153.3178.660.20000112.1L26 R27 D30L26-T32 CarbonylContact C-O 3.4Å; R27-T32 VanDerWaalsContact CA-O 3.31Å; R27-T32 WeakPolarHBondContact CA-O 3.21Å; R27-T32 PolarHBondContact N-O 3.18Å; D30-T32 HydrophobicContact CB-CG2 4.22Å; D30-T32 WeakPolarHBondContact O-CG2 3.38Å; D30-T32 PolarHBondContact O-N 3.17Å
33Y88.8Confident83.3Confident84 Ų8464.2 Ų64.233%0.32935%0.346SS..  trans-142136.4171.4174.3-98.1000109.4C23 E35 A152 K153C23-Y33 HydrophobicContact CB-CD2 4.3Å; C23-Y33 HydrophobicContact CB-CE2 4.29Å; Y33-E35 HydrophobicContact CE1-CG 3.62Å; Y33-A152 HydrophobicContact CD2-CB 4.17Å; Y33-A152 HydrophobicContact CE2-CB 4.33Å; Y33-K153 HydrophobicContact CD1-CG 4.29Å; Y33-K153 HydrophobicContact CD2-CB 4.47Å; Y33-K153 HydrophobicContact CE1-CB 4.06Å; Y33-K153 HydrophobicContact CE1-CD 4.21Å; Y33-K153 HydrophobicContact CE1-CG 3.77Å; Y33-K153 HydrophobicContact CE2-CB 4.01Å
34T82.7Confident82.9Confident67 Ų6766.3 Ų66.341%0.41136%0.355SS..  trans-123.9136.5171.9-172.60000109.6S36T34-S36 VanDerWaalsContact C-N 3.27Å; T34-S36 PolarHBondContact OG1-N 3.44Å; T34-S36 PolarHBondContact OG1-OG 3.08Å
35E76.8Confident82.5Confident139 Ų13969.2 Ų69.265%0.6537%0.368SS*.SBendtrans-75.5-19.7173.5-71.1-169.9163.600111.9Y33 Y37 K153Y33-E35 HydrophobicContact CE1-CG 3.62Å; E35-Y37 PolarHBondContact O-N 3.32Å; E35-K153 IonicContact OE1-NZ 2.76Å; E35-K153 PolarHBondContact OE1-NZ 3.45Å
36S72.1Confident82.4Confident69 Ų6971.9 Ų71.948%0.48338%0.379SS..SBendtrans-66.8109176.853.60000110.4T34 I38T34-S36 VanDerWaalsContact C-N 3.27Å; T34-S36 PolarHBondContact OG1-N 3.44Å; T34-S36 PolarHBondContact OG1-OG 3.08Å; S36-I38 PolarHBondContact O-N 3.02Å
37Y65.3Low82.4Confident134 Ų13473.3 Ų73.353%0.52539%0.387SS..  trans-71.9101.2171.3-179.7-103.6000109.4S17 G18 E35 S39S17-Y37 PolarHBondContact OG-OH 3.11Å; G18-Y37 PolarHBondContact N-OH 2.9Å; E35-Y37 PolarHBondContact O-N 3.32Å; Y37-S39 WeakPolarHBondContact CE1-OG 3.42Å; Y37-S39 PolarHBondContact OH-OG 3.37Å
38I73.2Confident82.4Confident134 Ų13474.5 Ų74.569%0.68739%0.391SS*.  trans-102.3113.6167.8-56.4177.4000106.6S36 T40S36-I38 PolarHBondContact O-N 3.02Å; I38-T40 PolarHBondContact O-N 3.37Å
39S73.6Confident82.4Confident60 Ų6078 Ų7842%0.4241%0.413SS..  trans-58127.4175.7-66.60000110.4Y37 I41Y37-S39 WeakPolarHBondContact CE1-OG 3.42Å; Y37-S39 PolarHBondContact OH-OG 3.37Å; S39-I41 PolarHBondContact O-N 3.34Å
40T70.1Confident82.6Confident33 Ų3377.2 Ų77.220%0.20241%0.405CS..  trans-61.6121.8173.6-44.30000109.8S22 I38 D44 A65S22-T40 PolarHBondContact OG-OG1 2.64Å; I38-T40 PolarHBondContact O-N 3.37Å; T40-D44 HydrophobicContact CG2-CB 4.49Å; T40-A65 WeakPolarHBondContact O-CB 3.35Å
41I70.3Confident82.8Confident157 Ų15780.9 Ų80.981%0.80542%0.419SS*.  trans-89.9107.3172.9-58.6176.5000107.2S39S39-I41 PolarHBondContact O-N 3.34Å
42G70.3Confident82.9Confident23 Ų2376.2 Ų76.224%0.23740%0.395CS..SBendtrans78.4-120-179.600000112.9A65G42-A65 VanDerWaalsContact O-CB 3.27Å; G42-A65 WeakPolarHBondContact O-CB 3.42Å; G42-A65 PolarHBondContact O-N 2.73Å
43V79.9Confident83Confident37 Ų3779.3 Ų79.322%0.22441%0.408CS..EExtended strand (participates in β ladder)trans-136.2130.7-175.9-179.10000109.4W62 D63 T64 Y77V43-W62 HydrophobicContact CG1-CB 4.39Å; V43-W62 HydrophobicContact CG1-CE3 3.74Å; V43-D63 CarbonylContact C-O 3.53Å; V43-D63 VanDerWaalsContact CA-O 3.24Å; V43-D63 WeakPolarHBondContact CA-O 3.47Å; V43-D63 VanDerWaalsContact CG1-O 3.28Å; V43-D63 WeakPolarHBondContact CG1-O 3.35Å; V43-T64 HydrophobicContact CG2-CG2 4.42Å; V43-Y77 HydrophobicContact CB-CE1 4.03Å; V43-Y77 HydrophobicContact CB-CE2 4.31Å; V43-Y77 HydrophobicContact CG1-CD1 4.01Å; V43-Y77 HydrophobicContact CG1-CE1 3.74Å; V43-Y77 HydrophobicContact CG2-CD1 4.47Å; V43-Y77 HydrophobicContact CG2-CD2 3.98Å; V43-Y77 HydrophobicContact CG2-CE1 4.07Å; V43-Y77 HydrophobicContact CG2-CE2 3.52Å; V43-Y77 HydrophobicContact CG2-CG 4.42Å
44D84.2Confident83.1Confident74 Ų7478.8 Ų78.840%0.39643%0.429SS..EExtended strand (participates in β ladder)trans-103158.5172-16616.5000110.4T40 W62 D63T40-D44 HydrophobicContact CG2-CB 4.49Å; D44-W62 WeakPolarHBondContact O-CA 3.34Å; D44-D63 HydrophobicContact CB-CB 4.41Å; D44-D63 PolarHBondContact N-O 2.91Å; D44-D63 PolarHBondContact O-N 3.34Å
45F87.1Confident83.6Confident68 Ų6879 Ų7930%0.29842%0.424SS..EExtended strand (participates in β ladder)trans-143126.4-172.4174-102.6000111.7I47 Q60 I61 W62F45-I47 HydrophobicContact CD1-CG1 4.45Å; F45-I47 HydrophobicContact CE1-CD1 3.65Å; F45-I47 HydrophobicContact CE1-CG1 3.44Å; F45-I47 VanDerWaalsContact CE1-CG1 3.44Å; F45-I47 HydrophobicContact CE2-CG1 4.42Å; F45-I47 HydrophobicContact CZ-CD1 3.75Å; F45-I47 HydrophobicContact CZ-CG1 3.44Å; F45-I47 VanDerWaalsContact CZ-CG1 3.44Å; F45-Q60 HydrophobicContact CE2-CB 3.7Å; F45-Q60 HydrophobicContact CE2-CG 3.97Å; F45-Q60 HydrophobicContact CZ-CB 4.02Å; F45-Q60 HydrophobicContact CZ-CG 3.74Å; F45-I61 WeakPolarHBondContact CA-O 3.38Å; F45-W62 HydrophobicContact CB-CE3 4.17Å; F45-W62 HydrophobicContact CB-CZ3 4.28Å; F45-W62 AromaticContact CD2-CD2 3.61Å; F45-W62 HydrophobicContact CD2-CD2 3.61Å; F45-W62 AromaticContact CD2-CE2 3.51Å; F45-W62 AromaticContact CD2-CE3 3.95Å; F45-W62 HydrophobicContact CD2-CE3 3.95Å; F45-W62 HydrophobicContact CD2-CG 4.02Å; F45-W62 HydrophobicContact CD2-CH2 4.21Å; F45-W62 AromaticContact CD2-CZ2 3.86Å; F45-W62 HydrophobicContact CD2-CZ2 3.86Å; F45-W62 HydrophobicContact CD2-CZ3 4.23Å; F45-W62 AromaticContact CD2-NE1 3.77Å; F45-W62 HydrophobicContact CE2-CD2 4.22Å; F45-W62 AromaticContact CE2-CE2 3.66Å; F45-W62 AromaticContact CE2-CZ2 3.9Å; F45-W62 HydrophobicContact CE2-CZ2 3.9Å; F45-W62 AromaticContact CE2-NE1 3.61Å; F45-W62 HydrophobicContact CG-CD2 4.49Å; F45-W62 HydrophobicContact CG-CE3 4.41Å; F45-W62 HydrophobicContact CG-CZ3 4.44Å
46K92.6Very high84.4Confident56 Ų5674.3 Ų74.324%0.24341%0.405CS..EExtended strand (participates in β ladder)trans-126.8149.9174.7-70.6-79.7-173.1155.30111L25 A29 D30 I61L25-K46 HydrophobicContact CD1-CB 3.94Å; L25-K46 HydrophobicContact CD1-CG 4.32Å; L25-K46 HydrophobicContact CD2-CB 4.16Å; L25-K46 HydrophobicContact CD2-CG 3.92Å; L25-K46 HydrophobicContact CG-CB 4.22Å; L25-K46 HydrophobicContact CG-CG 4.05Å; A29-K46 HydrophobicContact CB-CB 4.04Å; A29-K46 HydrophobicContact CB-CD 4.15Å; A29-K46 HydrophobicContact CB-CG 4.09Å; D30-K46 IonicContact OD1-NZ 2.72Å; D30-K46 PolarHBondContact OD1-NZ 3.12Å; D30-K46 IonicContact OD2-NZ 2.65Å; D30-K46 PolarHBondContact OD2-NZ 3.49Å; K46-I61 PolarHBondContact N-O 2.72Å; K46-I61 PolarHBondContact O-N 2.99Å
47I93.9Very high85.5Confident78 Ų7871 Ų7140%0.438%0.382SS..EExtended strand (participates in β ladder)trans-116.1129.9173-61.3-176.5000108.3F45 K58 L59 Q60F45-I47 HydrophobicContact CD1-CG1 4.45Å; F45-I47 HydrophobicContact CE1-CD1 3.65Å; F45-I47 HydrophobicContact CE1-CG1 3.44Å; F45-I47 VanDerWaalsContact CE1-CG1 3.44Å; F45-I47 HydrophobicContact CE2-CG1 4.42Å; F45-I47 HydrophobicContact CZ-CD1 3.75Å; F45-I47 HydrophobicContact CZ-CG1 3.44Å; F45-I47 VanDerWaalsContact CZ-CG1 3.44Å; I47-K58 HydrophobicContact CG2-CD 4.24Å; I47-K58 VanDerWaalsContact CG2-CE 3.4Å; I47-K58 HydrophobicContact CG2-CG 3.78Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.4Å; I47-Q60 HydrophobicContact CD1-CG 4.45Å; I47-Q60 HydrophobicContact CG1-CG 4.27Å
48R94.3Very high87Confident69 Ų6967.2 Ų67.226%0.2637%0.368SS..EExtended strand (participates in β ladder)trans-134.1131.7169.2-176.3164.6172-144.5-14.2109.5F28 I50 L59 E159F28-R48 HydrophobicContact CE1-CB 3.96Å; F28-R48 HydrophobicContact CE1-CG 4.12Å; F28-R48 HydrophobicContact CZ-CG 4.44Å; F28-R48 WeakPolarHBondContact O-CD 3.45Å; F28-R48 PolarHBondContact O-NH1 2.93Å; R48-I50 HydrophobicContact CG-CG2 4.32Å; R48-L59 PolarHBondContact N-O 2.94Å; R48-L59 WeakPolarHBondContact O-CA 3.4Å; R48-L59 WeakPolarHBondContact O-CB 3.49Å; R48-L59 PolarHBondContact O-N 3.02Å; R48-E159 IonicContact CZ-OE1 2.85Å; R48-E159 IonicContact CZ-OE2 3.54Å; R48-E159 IonicContact NH1-OE1 2.77Å; R48-E159 IonicContact NH1-OE2 3.54Å; R48-E159 PolarHBondContact NH1-OE2 3.43Å; R48-E159 IonicContact NH2-OE1 3.79Å; R48-E159 PolarHBondContact NH2-OE1 2.9Å; R48-E159 IonicContact NH2-OE2 2.81Å; R48-E159 PolarHBondContact NH2-OE2 2.84Å
49T95Very high88.1Confident76 Ų7660.8 Ų60.847%0.46634%0.335SS..EExtended strand (participates in β ladder)trans-93.2132.4172.8-57.30000108.7T56 I57T49-T56 HydrophobicContact CG2-CG2 3.37Å; T49-I57 CarbonylContact C-O 3.55Å; T49-I57 WeakPolarHBondContact CA-O 3.38Å
50I95.1Very high89.1Confident9 Ų960.3 Ų60.35%0.04633%0.326CS..EExtended strand (participates in β ladder)trans-125.1158.6177.861.7166.6000109.8F28 R48 I57 L59 M163 A166F28-I50 HydrophobicContact CZ-CG2 4.08Å; R48-I50 HydrophobicContact CG-CG2 4.32Å; I50-I57 HydrophobicContact CD1-CB 4.49Å; I50-I57 HydrophobicContact CG1-CB 3.95Å; I50-I57 PolarHBondContact N-O 3Å; I50-I57 PolarHBondContact O-N 3.1Å; I50-L59 HydrophobicContact CD1-CD1 3.74Å; I50-L59 HydrophobicContact CD1-CD2 4.44Å; I50-L59 HydrophobicContact CD1-CG 4.16Å; I50-L59 HydrophobicContact CG1-CD1 4.16Å; I50-L59 HydrophobicContact CG1-CG 4.21Å; I50-L59 HydrophobicContact CG2-CD1 4.33Å; I50-M163 HydrophobicContact CB-SD 4.17Å; I50-M163 HydrophobicContact CD1-SD 3.46Å; I50-M163 WeakPolarHBondContact CD1-SD 3.43Å; I50-M163 HydrophobicContact CG1-SD 4.38Å; I50-M163 HydrophobicContact CG2-SD 4.3Å; I50-A166 HydrophobicContact CD1-CB 3.75Å
51E94.6Very high90.4Very high149 Ų14958.8 Ų58.870%0.69632%0.317SS*.EExtended strand (participates in β ladder)trans-105.3129.5168.6-67.4-170.9175.700109.8K55E51-K55 WeakPolarHBondContact CA-O 3.4Å
52L93.3Very high91.5Very high17 Ų1754.3 Ų54.39%0.08929%0.29CS..EExtended strand (participates in β ladder)trans-142.2116.6179.9-167.7119.4000110.6G54 K55 I57 M163 A167 K170L52-G54 PolarHBondContact O-N 3.46Å; L52-K55 PolarHBondContact N-O 3.09Å; L52-K55 WeakPolarHBondContact O-CB 3.43Å; L52-K55 PolarHBondContact O-N 2.76Å; L52-K55 VanDerWaalsContact O-N 3.14Å; L52-I57 HydrophobicContact CB-CD1 3.78Å; L52-I57 HydrophobicContact CD2-CD1 4.1Å; L52-M163 HydrophobicContact CD1-CE 3.73Å; L52-M163 HydrophobicContact CD1-SD 4.32Å; L52-A167 HydrophobicContact CD1-CB 4.24Å; L52-A167 HydrophobicContact CD2-CB 4.14Å; L52-K170 HydrophobicContact CD2-CD 3.49Å; L52-K170 VanDerWaalsContact CD2-CD 3.49Å; L52-K170 PolarHBondContact O-NZ 2.88Å
53D90.6Very high92.4Very high132 Ų13253.2 Ų53.271%0.70628%0.279SS*.THydrogen-bonded Turntrans44.853.9-170.9-26.1-62.4000113.5K55 K170D53-K55 PolarHBondContact O-N 2.65Å; D53-K170 VanDerWaalsContact CB-NZ 3.29Å; D53-K170 IonicContact OD2-NZ 2.71Å; D53-K170 PolarHBondContact OD2-NZ 3.49Å
54G89.9Confident92.7Very high74 Ų7451.5 Ų51.576%0.76327%0.268SS*.THydrogen-bonded Turntrans66.918178.400000114.6L52L52-G54 PolarHBondContact O-N 3.46Å
55K92.8Very high92.3Very high72 Ų7248.1 Ų48.131%0.31325%0.251SS..EExtended strand (participates in β ladder)trans-118.4134.4176.1-64.4-68-177.4-173.80110.7D6 Y7 E51 L52 D53D6-K55 HydrophobicContact CB-CB 4.29Å; D6-K55 HydrophobicContact CB-CD 3.91Å; D6-K55 VanDerWaalsContact OD1-CD 3.24Å; D6-K55 WeakPolarHBondContact OD1-CD 3.49Å; D6-K55 IonicContact OD1-NZ 2.65Å; D6-K55 PolarHBondContact OD1-NZ 3.01Å; D6-K55 WeakPolarHBondContact OD2-CA 3.49Å; D6-K55 WeakPolarHBondContact OD2-CD 3.33Å; Y7-K55 HydrophobicContact CD2-CB 4.22Å; Y7-K55 HydrophobicContact CE2-CB 4.04Å; Y7-K55 HydrophobicContact CE2-CD 4.18Å; Y7-K55 HydrophobicContact CE2-CG 4Å; E51-K55 WeakPolarHBondContact CA-O 3.4Å; L52-K55 PolarHBondContact N-O 3.09Å; L52-K55 WeakPolarHBondContact O-CB 3.43Å; L52-K55 PolarHBondContact O-N 2.76Å; L52-K55 VanDerWaalsContact O-N 3.14Å; D53-K55 PolarHBondContact O-N 2.65Å
56T94.5Very high91.2Very high39 Ų3945.2 Ų45.224%0.23924%0.24CC..EExtended strand (participates in β ladder)trans-86.4114.6177.2-58.20000109D6 Y7 T49D6-T56 PolarHBondContact N-O 3Å; D6-T56 PolarHBondContact OD2-N 3.22Å; Y7-T56 PolarHBondContact N-O 3.16Å; T49-T56 HydrophobicContact CG2-CG2 3.37Å
57I95.5Very high89.9Confident0 Ų045 Ų450%024%0.24CC..EExtended strand (participates in β ladder)trans-113.9120.9-176.4-52-176.6000109Y7 F9 T49 I50 L52 L59 K170Y7-I57 HydrophobicContact CD2-CG1 4.11Å; F9-I57 HydrophobicContact CD2-CG2 3.52Å; F9-I57 HydrophobicContact CE2-CD1 3.88Å; F9-I57 HydrophobicContact CE2-CG2 3.64Å; F9-I57 HydrophobicContact CG-CG2 4.03Å; F9-I57 HydrophobicContact CZ-CD1 4.32Å; F9-I57 HydrophobicContact CZ-CG2 4.2Å; T49-I57 CarbonylContact C-O 3.55Å; T49-I57 WeakPolarHBondContact CA-O 3.38Å; I50-I57 HydrophobicContact CD1-CB 4.49Å; I50-I57 HydrophobicContact CG1-CB 3.95Å; I50-I57 PolarHBondContact N-O 3Å; I50-I57 PolarHBondContact O-N 3.1Å; L52-I57 HydrophobicContact CB-CD1 3.78Å; L52-I57 HydrophobicContact CD2-CD1 4.1Å; I57-L59 HydrophobicContact CG2-CD2 3.78Å; I57-K170 HydrophobicContact CD1-CD 4.24Å
58K95.8Very high88.2Confident54 Ų5447.1 Ų47.124%0.23525%0.248CC..EExtended strand (participates in β ladder)trans-88.8113.9172.4-168.7168.1-171.61690109.2Y5 Y7 L8 F9 I47Y5-K58 HydrophobicContact CD1-CB 4.19Å; Y5-K58 HydrophobicContact CD1-CD 3.76Å; Y5-K58 HydrophobicContact CD2-CB 4.28Å; Y5-K58 HydrophobicContact CE1-CD 3.86Å; Y5-K58 HydrophobicContact CG-CB 3.94Å; Y5-K58 HydrophobicContact CG-CD 4.36Å; Y7-K58 PolarHBondContact O-N 2.96Å; L8-K58 WeakPolarHBondContact CA-O 3.41Å; L8-K58 HydrophobicContact CD1-CB 3.83Å; L8-K58 HydrophobicContact CD1-CD 4.06Å; L8-K58 HydrophobicContact CD1-CG 3.84Å; F9-K58 PolarHBondContact N-O 2.81Å; I47-K58 HydrophobicContact CG2-CD 4.24Å; I47-K58 VanDerWaalsContact CG2-CE 3.4Å; I47-K58 HydrophobicContact CG2-CG 3.78Å
59L96.6Very high86.6Confident0 Ų052.1 Ų52.10%027%0.267CS..EExtended strand (participates in β ladder)trans-92.4129.6175.3-57.4-178.3000110F9 L11 F28 I47 R48 I50 I57 I61 A166F9-L59 HydrophobicContact CB-CD2 3.89Å; F9-L59 HydrophobicContact CD2-CD2 4Å; F9-L59 HydrophobicContact CG-CD2 4.39Å; L11-L59 HydrophobicContact CD1-CD1 4.28Å; L11-L59 HydrophobicContact CD1-CD2 4.25Å; F28-L59 HydrophobicContact CE1-CD1 4.09Å; F28-L59 HydrophobicContact CZ-CD1 3.99Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.4Å; R48-L59 PolarHBondContact N-O 2.94Å; R48-L59 WeakPolarHBondContact O-CA 3.4Å; R48-L59 WeakPolarHBondContact O-CB 3.49Å; R48-L59 PolarHBondContact O-N 3.02Å; I50-L59 HydrophobicContact CD1-CD1 3.74Å; I50-L59 HydrophobicContact CD1-CD2 4.44Å; I50-L59 HydrophobicContact CD1-CG 4.16Å; I50-L59 HydrophobicContact CG1-CD1 4.16Å; I50-L59 HydrophobicContact CG1-CG 4.21Å; I50-L59 HydrophobicContact CG2-CD1 4.33Å; I57-L59 HydrophobicContact CG2-CD2 3.78Å; L59-I61 HydrophobicContact CB-CD1 4.28Å; L59-I61 HydrophobicContact CB-CG1 4.09Å; L59-A166 HydrophobicContact CD2-CB 4.17Å
60Q95.8Very high85Confident50 Ų5051.4 Ų51.423%0.23426%0.257CS..EExtended strand (participates in β ladder)trans-110.3101.3173.2-81.7-167.4-17.600108L8 F9 K10 L11 F45 I47L8-Q60 HydrophobicContact CD1-CG 3.73Å; F9-Q60 PolarHBondContact O-N 3.42Å; K10-Q60 CarbonylContact C-O 3.44Å; K10-Q60 WeakPolarHBondContact CA-O 3.33Å; L11-Q60 PolarHBondContact N-O 3.27Å; F45-Q60 HydrophobicContact CE2-CB 3.7Å; F45-Q60 HydrophobicContact CE2-CG 3.97Å; F45-Q60 HydrophobicContact CZ-CB 4.02Å; F45-Q60 HydrophobicContact CZ-CG 3.74Å; I47-Q60 HydrophobicContact CD1-CG 4.45Å; I47-Q60 HydrophobicContact CG1-CG 4.27Å
61I95.4Very high83.5Confident1 Ų153.2 Ų53.21%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-108.3120.8-169.3-48.9169.1000109L11 L13 L25 F28 F45 K46 L59 F162L11-I61 HydrophobicContact CB-CG1 4.28Å; L11-I61 HydrophobicContact CB-CG2 4.36Å; L11-I61 HydrophobicContact CD1-CG1 4.28Å; L13-I61 HydrophobicContact CD1-CG2 4.29Å; L13-I61 HydrophobicContact CD2-CG2 4.48Å; L13-I61 HydrophobicContact CG-CG2 4.08Å; L25-I61 HydrophobicContact CD1-CB 3.72Å; L25-I61 HydrophobicContact CD1-CD1 3.98Å; L25-I61 HydrophobicContact CD1-CG1 4.46Å; L25-I61 HydrophobicContact CD1-CG2 3.55Å; F28-I61 HydrophobicContact CD1-CD1 3.59Å; F28-I61 HydrophobicContact CE1-CD1 3.54Å; F45-I61 WeakPolarHBondContact CA-O 3.38Å; K46-I61 PolarHBondContact N-O 2.72Å; K46-I61 PolarHBondContact O-N 2.99Å; L59-I61 HydrophobicContact CB-CD1 4.28Å; L59-I61 HydrophobicContact CB-CG1 4.09Å; I61-F162 HydrophobicContact CD1-CD1 3.86Å; I61-F162 HydrophobicContact CD1-CE1 3.83Å; I61-F162 HydrophobicContact CG2-CE1 3.98Å
62W93.6Very high81.9Confident62 Ų6251.8 Ų51.824%0.23527%0.265CS..EExtended strand (participates in β ladder)trans-101.8119.8179.1-62.381.2000109L11 L12 L13 V43 D44 F45 Y77L11-W62 PolarHBondContact O-N 3.17Å; L12-W62 HydrophobicContact CD1-CB 3.53Å; L12-W62 HydrophobicContact CD1-CG 4.49Å; L13-W62 PolarHBondContact N-O 3.46Å; V43-W62 HydrophobicContact CG1-CB 4.39Å; V43-W62 HydrophobicContact CG1-CE3 3.74Å; D44-W62 WeakPolarHBondContact O-CA 3.34Å; F45-W62 HydrophobicContact CB-CE3 4.17Å; F45-W62 HydrophobicContact CB-CZ3 4.28Å; F45-W62 AromaticContact CD2-CD2 3.61Å; F45-W62 HydrophobicContact CD2-CD2 3.61Å; F45-W62 AromaticContact CD2-CE2 3.51Å; F45-W62 AromaticContact CD2-CE3 3.95Å; F45-W62 HydrophobicContact CD2-CE3 3.95Å; F45-W62 HydrophobicContact CD2-CG 4.02Å; F45-W62 HydrophobicContact CD2-CH2 4.21Å; F45-W62 AromaticContact CD2-CZ2 3.86Å; F45-W62 HydrophobicContact CD2-CZ2 3.86Å; F45-W62 HydrophobicContact CD2-CZ3 4.23Å; F45-W62 AromaticContact CD2-NE1 3.77Å; F45-W62 HydrophobicContact CE2-CD2 4.22Å; F45-W62 AromaticContact CE2-CE2 3.66Å; F45-W62 AromaticContact CE2-CZ2 3.9Å; F45-W62 HydrophobicContact CE2-CZ2 3.9Å; F45-W62 AromaticContact CE2-NE1 3.61Å; F45-W62 HydrophobicContact CG-CD2 4.49Å; F45-W62 HydrophobicContact CG-CE3 4.41Å; F45-W62 HydrophobicContact CG-CZ3 4.44Å; W62-Y77 HydrophobicContact CD2-CD1 4.05Å; W62-Y77 HydrophobicContact CD2-CE1 4.44Å; W62-Y77 AromaticContact CE3-CD1 3.55Å; W62-Y77 HydrophobicContact CE3-CD1 3.55Å; W62-Y77 AromaticContact CE3-CE1 3.52Å; W62-Y77 HydrophobicContact CE3-CE1 3.52Å; W62-Y77 HydrophobicContact CH2-CE1 4.37Å; W62-Y77 AromaticContact CZ3-CD1 3.91Å; W62-Y77 HydrophobicContact CZ3-CD1 3.91Å; W62-Y77 AromaticContact CZ3-CE1 3.49Å; W62-Y77 HydrophobicContact CZ3-CE1 3.49Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.49Å
63D90.9Very high80.6Confident1 Ų155.4 Ų55.41%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-99.2123.7173.5175.847.4000110.1L13 K21 S22 L25 V43 D44L13-D63 HydrophobicContact CD1-CB 4.49Å; K21-D63 WeakPolarHBondContact CB-OD1 3.16Å; S22-D63 WeakPolarHBondContact CA-OD2 3.38Å; S22-D63 WeakPolarHBondContact CB-OD2 3.49Å; S22-D63 PolarHBondContact N-OD1 3.34Å; S22-D63 PolarHBondContact OG-OD2 3.25Å; L25-D63 HydrophobicContact CD2-CB 3.53Å; V43-D63 CarbonylContact C-O 3.53Å; V43-D63 VanDerWaalsContact CA-O 3.24Å; V43-D63 WeakPolarHBondContact CA-O 3.47Å; V43-D63 VanDerWaalsContact CG1-O 3.28Å; V43-D63 WeakPolarHBondContact CG1-O 3.35Å; D44-D63 HydrophobicContact CB-CB 4.41Å; D44-D63 PolarHBondContact N-O 2.91Å; D44-D63 PolarHBondContact O-N 3.34Å
64T84.7Confident79.6Confident0 Ų049.3 Ų49.30%025%0.251CS..EExtended strand (participates in β ladder)trans-104.9144.2-174.671.20000111.5L12 L13 K21 V43 G66 T74L12-T64 HydrophobicContact CD1-CG2 3.42Å; L12-T64 VanDerWaalsContact CD1-CG2 3.42Å; L12-T64 HydrophobicContact CG-CG2 4.14Å; L13-T64 PolarHBondContact O-OG1 3.04Å; K21-T64 WeakPolarHBondContact CE-O 3.12Å; V43-T64 HydrophobicContact CG2-CG2 4.42Å; T64-G66 PolarHBondContact O-N 3.42Å; T64-T74 HydrophobicContact CG2-CG2 3.42Å; T64-T74 VanDerWaalsContact CG2-CG2 3.42Å
65A76.1Confident78.9Confident4 Ų447.6 Ų47.63%0.03323%0.228CC..  trans-55.2126.8165.200000110.3T40 G42 Q67 F70T40-A65 WeakPolarHBondContact O-CB 3.35Å; G42-A65 VanDerWaalsContact O-CB 3.27Å; G42-A65 WeakPolarHBondContact O-CB 3.42Å; G42-A65 PolarHBondContact O-N 2.73Å; A65-Q67 PolarHBondContact O-N 2.95Å; A65-F70 HydrophobicContact CB-CB 4.2Å; A65-F70 HydrophobicContact CB-CD2 3.9Å; A65-F70 HydrophobicContact CB-CG 4.33Å
66G64.5Low78.3Confident6 Ų647.8 Ų47.86%0.06224%0.238CC..  trans-83.33.7178.300000114.2G15 S17 T64G15-G66 VanDerWaalsContact O-CA 3.28Å; G15-G66 WeakPolarHBondContact O-CA 3.49Å; S17-G66 PolarHBondContact N-O 2.84Å; S17-G66 VanDerWaalsContact N-O 3.07Å; T64-G66 PolarHBondContact O-N 3.42Å
67Q65Low77.9Confident53 Ų5348.7 Ų48.725%0.24824%0.237CC..  trans-76.9132.1-178.3-126-1749.100110.3A65 R69 F70A65-Q67 PolarHBondContact O-N 2.95Å; Q67-R69 PolarHBondContact O-N 3.23Å; Q67-R69 VanDerWaalsContact O-N 3.1Å; Q67-F70 HydrophobicContact CB-CD2 3.75Å; Q67-F70 HydrophobicContact CB-CE2 4.3Å; Q67-F70 PolarHBondContact O-N 3.33Å
68E58.7Low77.6Confident122 Ų12248.7 Ų48.757%0.5724%0.237SC*.G310 helixtrans-55.7-32.3-179.962.4-72.4154.300112.9F70 R71E68-F70 PolarHBondContact O-N 3.05Å; E68-F70 VanDerWaalsContact O-N 3.13Å; E68-R71 WeakPolarHBondContact O-CB 3.4Å; E68-R71 PolarHBondContact O-N 3.45Å
69R60.5Low77.2Confident174 Ų17455.1 Ų55.166%0.65726%0.26SS*.G310 helixtrans-60-21.9175.3-61.7-171.6-62.3-179.81.8114Q67Q67-R69 PolarHBondContact O-N 3.23Å; Q67-R69 VanDerWaalsContact O-N 3.1Å
70F60.7Low76.9Confident61 Ų6156.9 Ų56.927%0.26828%0.279SS..G310 helixtrans-105.2-4.1-179.5-61.4-61.2000113.9A65 Q67 E68 T72 I73 T74A65-F70 HydrophobicContact CB-CB 4.2Å; A65-F70 HydrophobicContact CB-CD2 3.9Å; A65-F70 HydrophobicContact CB-CG 4.33Å; Q67-F70 HydrophobicContact CB-CD2 3.75Å; Q67-F70 HydrophobicContact CB-CE2 4.3Å; Q67-F70 PolarHBondContact O-N 3.33Å; E68-F70 PolarHBondContact O-N 3.05Å; E68-F70 VanDerWaalsContact O-N 3.13Å; F70-T72 PolarHBondContact O-N 3.2Å; F70-T72 VanDerWaalsContact O-N 3.11Å; F70-I73 HydrophobicContact CD1-CD1 3.86Å; F70-I73 WeakPolarHBondContact O-CB 3.31Å; F70-I73 PolarHBondContact O-N 3.22Å; F70-T74 PolarHBondContact O-N 3.19Å; F70-T74 PolarHBondContact O-OG1 3.42Å
71R64.3Low76.8Confident46 Ų4654.8 Ų54.817%0.17427%0.27CS..Hα-helixtrans-52.9-36.1-179.4-77.1177.4-179.7-167.14113.1D16 E68 I73 T74 Q101 W102 E105D16-R71 IonicContact OD1-NH2 3.21Å; D16-R71 PolarHBondContact OD1-NH2 3.01Å; E68-R71 WeakPolarHBondContact O-CB 3.4Å; E68-R71 PolarHBondContact O-N 3.45Å; R71-I73 PolarHBondContact O-N 2.98Å; R71-T74 PolarHBondContact O-N 3.04Å; R71-Q101 VanDerWaalsContact NH1-OE1 3.1Å; R71-W102 HydrophobicContact CG-CH2 3.91Å; R71-W102 HydrophobicContact CG-CZ3 4.27Å; R71-E105 WeakPolarHBondContact CD-OE1 3.48Å
72T60.8Low76.8Confident119 Ų11957.4 Ų57.473%0.7328%0.282SS*.Hα-helixtrans-62.8-38.2176.2-51.10000112.9F70 T74 S75F70-T72 PolarHBondContact O-N 3.2Å; F70-T72 VanDerWaalsContact O-N 3.11Å; T72-T74 VanDerWaalsContact C-N 3.33Å; T72-S75 PolarHBondContact O-OG 3Å
73I65.3Low77Confident94 Ų9454.4 Ų54.448%0.48227%0.27SS..Hα-helixtrans-70.3-35.4180-55.4-175.3000110.1F70 R71 S75 S76F70-I73 HydrophobicContact CD1-CD1 3.86Å; F70-I73 WeakPolarHBondContact O-CB 3.31Å; F70-I73 PolarHBondContact O-N 3.22Å; R71-I73 PolarHBondContact O-N 2.98Å; I73-S75 VanDerWaalsContact C-N 3.27Å; I73-S75 PolarHBondContact O-N 3.23Å; I73-S76 PolarHBondContact O-OG 3.42Å
74T69.4Low77.3Confident3 Ų354.4 Ų54.42%0.01827%0.27CS..Hα-helixtrans-66.1-25.9-176-34.20000113.6T64 F70 R71 T72 S76 Y77 Y78T64-T74 HydrophobicContact CG2-CG2 3.42Å; T64-T74 VanDerWaalsContact CG2-CG2 3.42Å; F70-T74 PolarHBondContact O-N 3.19Å; F70-T74 PolarHBondContact O-OG1 3.42Å; R71-T74 PolarHBondContact O-N 3.04Å; T72-T74 VanDerWaalsContact C-N 3.33Å; T74-S76 PolarHBondContact O-N 3.16Å; T74-S76 VanDerWaalsContact O-N 3.09Å; T74-Y77 WeakPolarHBondContact O-CB 3.22Å; T74-Y77 PolarHBondContact O-N 3.18Å; T74-Y78 HydrophobicContact CG2-CE2 4.13Å; T74-Y78 VanDerWaalsContact O-CD2 3.27Å; T74-Y78 WeakPolarHBondContact O-CD2 3.24Å
75S75.1Confident77.9Confident39 Ų3954.5 Ų54.527%0.27327%0.271SS..Hα-helixtrans-51.2-36.5-178.462.70000113.9T72 I73 Y77T72-S75 PolarHBondContact O-OG 3Å; I73-S75 VanDerWaalsContact C-N 3.27Å; I73-S75 PolarHBondContact O-N 3.23Å; S75-Y77 VanDerWaalsContact C-N 3.28Å; S75-Y77 PolarHBondContact O-N 3.41Å
76S81.3Confident78.9Confident76 Ų7654.3 Ų54.353%0.53127%0.269SS..Hα-helixtrans-66.9-25.8178.964.80000113.9I73 T74I73-S76 PolarHBondContact O-OG 3.42Å; T74-S76 PolarHBondContact O-N 3.16Å; T74-S76 VanDerWaalsContact O-N 3.09Å
77Y86.4Confident80.5Confident57 Ų5754.1 Ų54.122%0.22427%0.267CS..Hα-helixtrans-81.6-24.5-175.8-65.6-89.7000113.2K10 V43 W62 T74 S75 R79K10-Y77 WeakPolarHBondContact CE-O 3.44Å; K10-Y77 PolarHBondContact NZ-O 3.44Å; V43-Y77 HydrophobicContact CB-CE1 4.03Å; V43-Y77 HydrophobicContact CB-CE2 4.31Å; V43-Y77 HydrophobicContact CG1-CD1 4.01Å; V43-Y77 HydrophobicContact CG1-CE1 3.74Å; V43-Y77 HydrophobicContact CG2-CD1 4.47Å; V43-Y77 HydrophobicContact CG2-CD2 3.98Å; V43-Y77 HydrophobicContact CG2-CE1 4.07Å; V43-Y77 HydrophobicContact CG2-CE2 3.52Å; V43-Y77 HydrophobicContact CG2-CG 4.42Å; W62-Y77 HydrophobicContact CD2-CD1 4.05Å; W62-Y77 HydrophobicContact CD2-CE1 4.44Å; W62-Y77 AromaticContact CE3-CD1 3.55Å; W62-Y77 HydrophobicContact CE3-CD1 3.55Å; W62-Y77 AromaticContact CE3-CE1 3.52Å; W62-Y77 HydrophobicContact CE3-CE1 3.52Å; W62-Y77 HydrophobicContact CH2-CE1 4.37Å; W62-Y77 AromaticContact CZ3-CD1 3.91Å; W62-Y77 HydrophobicContact CZ3-CD1 3.91Å; W62-Y77 AromaticContact CZ3-CE1 3.49Å; W62-Y77 HydrophobicContact CZ3-CE1 3.49Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.49Å; T74-Y77 WeakPolarHBondContact O-CB 3.22Å; T74-Y77 PolarHBondContact O-N 3.18Å; S75-Y77 VanDerWaalsContact C-N 3.28Å; S75-Y77 PolarHBondContact O-N 3.41Å; Y77-R79 PolarHBondContact O-N 3.25Å
78Y89.3Confident82.1Confident0 Ų051.6 Ų51.60%026%0.255CS..Hα-helixtrans-61.4-32.3173.8-71.2-95.8000112L12 I14 T74 G80 A81 I84 E105 I106 Y109 A110L12-Y78 HydrophobicContact CD2-CD1 4.02Å; L12-Y78 HydrophobicContact CD2-CD2 4.21Å; L12-Y78 HydrophobicContact CD2-CE1 4.22Å; L12-Y78 HydrophobicContact CD2-CE2 4.44Å; L12-Y78 HydrophobicContact CD2-CG 4.01Å; I14-Y78 HydrophobicContact CD1-CE1 4.05Å; I14-Y78 HydrophobicContact CG2-CE1 4.32Å; T74-Y78 HydrophobicContact CG2-CE2 4.13Å; T74-Y78 VanDerWaalsContact O-CD2 3.27Å; T74-Y78 WeakPolarHBondContact O-CD2 3.24Å; Y78-G80 PolarHBondContact O-N 3.06Å; Y78-A81 WeakPolarHBondContact O-CB 3.45Å; Y78-A81 PolarHBondContact O-N 3.43Å; Y78-A81 VanDerWaalsContact O-N 3.13Å; Y78-I84 HydrophobicContact CD1-CD1 3.64Å; Y78-I84 HydrophobicContact CE1-CD1 4.14Å; Y78-E105 HydrophobicContact CE1-CB 4.41Å; Y78-E105 PolarHBondContact OH-OE2 2.76Å; Y78-I106 HydrophobicContact CD1-CG1 4.4Å; Y78-I106 HydrophobicContact CE1-CG1 3.87Å; Y78-Y109 HydrophobicContact CD2-CD2 4.49Å; Y78-A110 HydrophobicContact CD1-CB 4.33Å
79R87.4Confident83.9Confident189 Ų18946.2 Ų46.271%0.71323%0.23SC*.THydrogen-bonded Turntrans-65.2125.5-179-168.3172.4178.280.4-1111K10 Y77 A81K10-R79 PolarHBondContact NZ-O 3.29Å; Y77-R79 PolarHBondContact O-N 3.25Å; R79-A81 PolarHBondContact O-N 2.97Å
80G88.6Confident85.7Confident38 Ų3838 Ų3839%0.39220%0.199SC..THydrogen-bonded Turntrans73.59.2-178.900000114.5Y78 H82Y78-G80 PolarHBondContact O-N 3.06Å; G80-H82 PolarHBondContact O-N 3.31Å; G80-H82 PolarHBondContact O-ND1 2.67Å
81A94.6Very high87.5Confident5 Ų536.4 Ų36.44%0.04120%0.195CC..  trans-64.7130.5167.200000109.3Y78 R79 I84 V114Y78-A81 WeakPolarHBondContact O-CB 3.45Å; Y78-A81 PolarHBondContact O-N 3.43Å; Y78-A81 VanDerWaalsContact O-N 3.13Å; R79-A81 PolarHBondContact O-N 2.97Å; A81-I84 HydrophobicContact CB-CD1 4.29Å; A81-I84 HydrophobicContact CB-CG1 3.99Å; A81-V114 HydrophobicContact CB-CG2 4.46Å
82H96.2Very high89Confident56 Ų5637 Ų3726%0.25920%0.201SC..SBendtrans-84.2-34.2175.6-62.183.1000110.6K10 G80 N115 I169 R172K10-H82 PolarHBondContact N-ND1 3.46Å; K10-H82 PolarHBondContact O-N 3.37Å; G80-H82 PolarHBondContact O-N 3.31Å; G80-H82 PolarHBondContact O-ND1 2.67Å; H82-N115 PolarHBondContact O-N 3.26Å; H82-N115 VanDerWaalsContact O-N 3.11Å; H82-I169 HydrophobicContact CB-CD1 3.98Å; H82-I169 HydrophobicContact CB-CG1 4.39Å; H82-I169 HydrophobicContact CB-CG2 3.92Å; H82-R172 PolarHBondContact O-NH1 2.84Å
83G96.8Very high90.8Very high0 Ų034.8 Ų34.80%018%0.183CC..EExtended strand (participates in β ladder)trans-147.8154.617100000112.9K10 L11 L12 N115K10-G83 PolarHBondContact O-N 2.79Å; L11-G83 WeakPolarHBondContact CA-O 3.29Å; L12-G83 PolarHBondContact N-O 3.38Å; L12-G83 VanDerWaalsContact N-O 3.13Å; G83-N115 CarbonylContact C-O 3.57Å; G83-N115 WeakPolarHBondContact CA-O 3.33Å
84I97.1Very high92.2Very high0 Ų036.5 Ų36.50%019%0.189CC..EExtended strand (participates in β ladder)trans-129.8127.4-177.5-58.9177.8000108.4L12 I14 Y78 A81 I106 A110 V114 N115 K116 L117 M165L12-I84 HydrophobicContact CB-CG1 4.17Å; L12-I84 WeakPolarHBondContact O-CA 3.46Å; I14-I84 HydrophobicContact CD1-CG2 3.76Å; I14-I84 HydrophobicContact CG1-CG2 3.79Å; I14-I84 HydrophobicContact CG2-CG2 4.26Å; Y78-I84 HydrophobicContact CD1-CD1 3.64Å; Y78-I84 HydrophobicContact CE1-CD1 4.14Å; A81-I84 HydrophobicContact CB-CD1 4.29Å; A81-I84 HydrophobicContact CB-CG1 3.99Å; I84-I106 HydrophobicContact CB-CD1 4.09Å; I84-I106 HydrophobicContact CD1-CB 4.44Å; I84-I106 HydrophobicContact CD1-CD1 4.32Å; I84-I106 HydrophobicContact CD1-CG1 3.88Å; I84-I106 HydrophobicContact CD1-CG2 3.99Å; I84-I106 HydrophobicContact CG2-CD1 3.68Å; I84-I106 HydrophobicContact CG2-CG1 4.07Å; I84-A110 HydrophobicContact CD1-CB 3.83Å; I84-V114 HydrophobicContact CD1-CG1 4.46Å; I84-V114 HydrophobicContact CD1-CG2 3.91Å; I84-V114 HydrophobicContact CG1-CG2 3.75Å; I84-N115 PolarHBondContact N-O 3.45Å; I84-K116 WeakPolarHBondContact O-CA 3.44Å; I84-L117 PolarHBondContact O-N 3.28Å; I84-M165 WeakPolarHBondContact O-CE 3.44Å
85I97.8Very high93.5Very high3 Ų336.4 Ų36.42%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-103.1117176.5-54179000107.3L12 L13 I14 V87 L117 V119 F162 M165L12-I85 PolarHBondContact O-N 3.38Å; L13-I85 HydrophobicContact CD2-CB 3.69Å; L13-I85 HydrophobicContact CD2-CD1 3.86Å; L13-I85 HydrophobicContact CD2-CG1 4.15Å; L13-I85 HydrophobicContact CD2-CG2 4.24Å; I14-I85 PolarHBondContact N-O 2.86Å; I85-V87 HydrophobicContact CG2-CG2 4.08Å; I85-L117 WeakPolarHBondContact CA-O 3.41Å; I85-L117 HydrophobicContact CD1-CD2 4.27Å; I85-L117 HydrophobicContact CG1-CB 4.38Å; I85-L117 HydrophobicContact CG1-CD2 4.2Å; I85-L117 HydrophobicContact CG2-CD2 4.23Å; I85-L117 HydrophobicContact CG2-CG 4.44Å; I85-V119 HydrophobicContact CG2-CB 4.17Å; I85-V119 HydrophobicContact CG2-CG2 3.49Å; I85-V119 VanDerWaalsContact CG2-CG2 3.49Å; I85-F162 HydrophobicContact CD1-CD1 3.84Å; I85-F162 HydrophobicContact CD1-CE1 3.81Å; I85-M165 HydrophobicContact CD1-CB 4.33Å; I85-M165 HydrophobicContact CD1-CG 4.49Å; I85-M165 HydrophobicContact CG1-CE 3.73Å; I85-M165 HydrophobicContact CG1-CG 4.35Å
86V97.3Very high94.6Very high0 Ų035.4 Ų35.40%018%0.179CC..EExtended strand (participates in β ladder)trans-93.6119.6176.3-168.80000108I14 V99 W102 L103 I106 L117 L118 V119I14-V86 HydrophobicContact CD1-CG2 4Å; I14-V86 HydrophobicContact CG1-CB 4.32Å; I14-V86 HydrophobicContact CG1-CG1 4.28Å; I14-V86 HydrophobicContact CG1-CG2 3.94Å; V86-V99 HydrophobicContact CG1-CG1 4.08Å; V86-V99 HydrophobicContact CG1-CG2 4.38Å; V86-W102 HydrophobicContact CG1-CB 3.92Å; V86-W102 HydrophobicContact CG1-CG 4.46Å; V86-L103 HydrophobicContact CG2-CD2 4.3Å; V86-I106 HydrophobicContact CG2-CD1 3.72Å; V86-L117 PolarHBondContact N-O 3.2Å; V86-L118 HydrophobicContact CB-CD1 4.23Å; V86-L118 HydrophobicContact CG1-CD1 4.41Å; V86-V119 PolarHBondContact O-N 2.89Å
87V97.9Very high95.3Very high2 Ų236.2 Ų36.21%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-110.7131.3-175.4-170.40000109.7I14 G15 V19 K21 L24 I85 V119 N121I14-V87 PolarHBondContact O-N 3.48Å; G15-V87 WeakPolarHBondContact CA-O 3.41Å; V19-V87 HydrophobicContact CB-CG1 4.39Å; V19-V87 HydrophobicContact CG2-CB 4Å; V19-V87 HydrophobicContact CG2-CG1 3.86Å; K21-V87 HydrophobicContact CG-CB 3.97Å; K21-V87 HydrophobicContact CG-CG1 4.49Å; K21-V87 HydrophobicContact CG-CG2 4.06Å; L24-V87 HydrophobicContact CD1-CG1 3.82Å; L24-V87 HydrophobicContact CD1-CG2 4.07Å; I85-V87 HydrophobicContact CG2-CG2 4.08Å; V87-V119 WeakPolarHBondContact CA-O 3.46Å; V87-V119 HydrophobicContact CG2-CB 4.45Å; V87-N121 HydrophobicContact CG1-CB 3.83Å
88Y98.1Very high95.8Very high0 Ų034.7 Ų34.70%017%0.173CC..EExtended strand (participates in β ladder)trans-124.7169.8166.176-84.5000109.8V90 F96 V99 L118 V119 G120 N121 V131 A136 F147Y88-V90 HydrophobicContact CE2-CG1 4.06Å; Y88-F96 AromaticContact CD1-CD2 3.97Å; Y88-F96 HydrophobicContact CD1-CD2 3.97Å; Y88-F96 HydrophobicContact CD2-CB 3.73Å; Y88-F96 AromaticContact CD2-CD2 3.81Å; Y88-F96 HydrophobicContact CD2-CD2 3.81Å; Y88-F96 HydrophobicContact CD2-CG 4.23Å; Y88-F96 AromaticContact CE1-CD2 3.82Å; Y88-F96 HydrophobicContact CE1-CD2 3.82Å; Y88-F96 HydrophobicContact CE1-CE2 4.21Å; Y88-F96 HydrophobicContact CE2-CB 4.16Å; Y88-F96 AromaticContact CE2-CD2 3.69Å; Y88-F96 HydrophobicContact CE2-CD2 3.69Å; Y88-F96 HydrophobicContact CE2-CG 4.27Å; Y88-F96 HydrophobicContact CG-CB 4.22Å; Y88-F96 AromaticContact CG-CD2 3.96Å; Y88-F96 HydrophobicContact CG-CD2 3.96Å; Y88-F96 AromaticContact CZ-CD2 3.7Å; Y88-V99 HydrophobicContact CD1-CG2 4.26Å; Y88-V99 HydrophobicContact CG-CG2 4.35Å; Y88-L118 HydrophobicContact CD1-CD1 3.83Å; Y88-L118 HydrophobicContact CD1-CG 4.25Å; Y88-L118 HydrophobicContact CE1-CD1 4.11Å; Y88-L118 HydrophobicContact CE1-CD2 4.24Å; Y88-L118 HydrophobicContact CE1-CG 4.02Å; Y88-V119 WeakPolarHBondContact CD1-O 3.44Å; Y88-V119 PolarHBondContact N-O 2.76Å; Y88-G120 VanDerWaalsContact CZ-CA 3.45Å; Y88-N121 PolarHBondContact O-N 3.11Å; Y88-V131 HydrophobicContact CE2-CB 3.99Å; Y88-V131 HydrophobicContact CE2-CG1 3.79Å; Y88-V131 HydrophobicContact CE2-CG2 4.13Å; Y88-A136 WeakPolarHBondContact OH-CB 3.45Å; Y88-F147 AromaticContact CE1-CE2 3.9Å; Y88-F147 HydrophobicContact CE1-CE2 3.9Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.18Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.36Å
89D97.9Very high96.1Very high9 Ų934.7 Ų34.75%0.04817%0.173CC..EExtended strand (participates in β ladder)trans-103.5124.6176.7176.1-7.1000109.6V19 T91 D92 S95 K122V19-D89 HydrophobicContact CB-CB 4.24Å; V19-D89 HydrophobicContact CG1-CB 4.21Å; D89-T91 VanDerWaalsContact CG-OG1 3.22Å; D89-T91 PolarHBondContact O-N 2.95Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 WeakPolarHBondContact OD1-CA 3.23Å; D89-T91 WeakPolarHBondContact OD1-CB 3.4Å; D89-T91 PolarHBondContact OD1-N 3.46Å; D89-T91 PolarHBondContact OD1-OG1 3.12Å; D89-T91 PolarHBondContact OD2-OG1 3.03Å; D89-D92 HydrophobicContact CB-CB 4.01Å; D89-D92 PolarHBondContact O-N 2.82Å; D89-D92 VanDerWaalsContact O-O 3.1Å; D89-S95 PolarHBondContact N-OG 3.11Å; D89-S95 PolarHBondContact O-OG 2.91Å; D89-K122 VanDerWaalsContact OD2-CD 3.25Å; D89-K122 WeakPolarHBondContact OD2-CD 3.43Å; D89-K122 WeakPolarHBondContact OD2-CE 3.24Å; D89-K122 IonicContact OD2-NZ 2.64Å; D89-K122 PolarHBondContact OD2-NZ 2.97Å
90V98.1Very high96.4Very high0 Ų032 Ų320%017%0.166CC..THydrogen-bonded Turntrans-64.7-16.2-178.9-56.80000113.5Y88 N121 K122 K129 L130 V131 E149Y88-V90 HydrophobicContact CE2-CG1 4.06Å; V90-N121 WeakPolarHBondContact CG1-O 3.26Å; V90-N121 WeakPolarHBondContact CG2-O 3.2Å; V90-N121 PolarHBondContact N-O 3.27Å; V90-K122 WeakPolarHBondContact CG2-O 3.26Å; V90-K129 HydrophobicContact CB-CG 4.22Å; V90-K129 HydrophobicContact CG2-CG 4.27Å; V90-L130 PolarHBondContact O-N 3.46Å; V90-V131 PolarHBondContact O-N 3.13Å; V90-E149 HydrophobicContact CG1-CG 4.25Å
91T97.5Very high96.6Very high29 Ų2934 Ų3418%0.17817%0.166CC..THydrogen-bonded Turntrans-94.10.5176.371.30000113.4D89 L125 K128 L130D89-T91 VanDerWaalsContact CG-OG1 3.22Å; D89-T91 PolarHBondContact O-N 2.95Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 WeakPolarHBondContact OD1-CA 3.23Å; D89-T91 WeakPolarHBondContact OD1-CB 3.4Å; D89-T91 PolarHBondContact OD1-N 3.46Å; D89-T91 PolarHBondContact OD1-OG1 3.12Å; D89-T91 PolarHBondContact OD2-OG1 3.03Å; T91-L125 HydrophobicContact CG2-CB 3.6Å; T91-L125 HydrophobicContact CG2-CD1 3.9Å; T91-L125 HydrophobicContact CG2-CG 4.39Å; T91-K128 WeakPolarHBondContact CA-O 3.3Å; T91-K128 WeakPolarHBondContact CB-O 3.45Å; T91-K128 HydrophobicContact CG2-CB 3.82Å; T91-K128 WeakPolarHBondContact CG2-O 3.47Å; T91-L130 VanDerWaalsContact O-CD1 3.24Å; T91-L130 WeakPolarHBondContact O-CD1 3.29Å
92D97Very high96.5Very high58 Ų5833.9 Ų33.931%0.3116%0.164SC..  trans-130.5103.7-178.9-179.8-4.4000110.8D89 E94 S95 F96D89-D92 HydrophobicContact CB-CB 4.01Å; D89-D92 PolarHBondContact O-N 2.82Å; D89-D92 VanDerWaalsContact O-O 3.1Å; D92-E94 VanDerWaalsContact C-N 3.28Å; D92-E94 PolarHBondContact O-N 3.42Å; D92-E94 WeakPolarHBondContact OD1-CB 3.39Å; D92-E94 PolarHBondContact OD1-N 2.8Å; D92-S95 PolarHBondContact O-N 3.06Å; D92-S95 PolarHBondContact O-OG 2.84Å; D92-S95 PolarHBondContact OD1-N 2.67Å; D92-F96 PolarHBondContact O-N 3.06Å
93Q96.7Very high96.4Very high72 Ų7232 Ų3234%0.33616%0.156SC..Hα-helixtrans-63.8-31.8179.4-173.961.159.200113.1F96 N97Q93-F96 PolarHBondContact O-N 2.93Å; Q93-N97 PolarHBondContact NE2-OD1 3.01Å; Q93-N97 VanDerWaalsContact NE2-OD1 3.17Å; Q93-N97 PolarHBondContact O-N 2.98Å; Q93-N97 PolarHBondContact O-ND2 2.96Å; Q93-N97 PolarHBondContact O-OD1 3.19Å
94E96.4Very high96.2Very high131 Ų13138.3 Ų38.361%0.61219%0.185SC*.Hα-helixtrans-68.1-42.4179.4-172.1173.8179.200110.3D92 F96 N97 N98D92-E94 VanDerWaalsContact C-N 3.28Å; D92-E94 PolarHBondContact O-N 3.42Å; D92-E94 WeakPolarHBondContact OD1-CB 3.39Å; D92-E94 PolarHBondContact OD1-N 2.8Å; E94-F96 PolarHBondContact O-N 2.86Å; E94-N97 PolarHBondContact O-N 2.69Å; E94-N97 VanDerWaalsContact O-N 3.08Å; E94-N98 WeakPolarHBondContact O-CB 3.39Å; E94-N98 PolarHBondContact O-N 2.84Å; E94-N98 PolarHBondContact O-ND2 2.65Å
95S96.8Very high95.8Very high1 Ų139.6 Ų39.61%0.00719%0.192CC..Hα-helixtrans-57.7-36.8175.581.50000112.8D89 D92D89-S95 PolarHBondContact N-OG 3.11Å; D89-S95 PolarHBondContact O-OG 2.91Å; D92-S95 PolarHBondContact O-N 3.06Å; D92-S95 PolarHBondContact O-OG 2.84Å; D92-S95 PolarHBondContact OD1-N 2.67Å
96F98Very high95.6Very high18 Ų1839.6 Ų39.68%0.07919%0.191CC..Hα-helixtrans-71.7-42.4174.9-179.4-105.7000112.2Y88 D92 Q93 E94 N98 V99 L118 V131 A136 F139Y88-F96 AromaticContact CD1-CD2 3.97Å; Y88-F96 HydrophobicContact CD1-CD2 3.97Å; Y88-F96 HydrophobicContact CD2-CB 3.73Å; Y88-F96 AromaticContact CD2-CD2 3.81Å; Y88-F96 HydrophobicContact CD2-CD2 3.81Å; Y88-F96 HydrophobicContact CD2-CG 4.23Å; Y88-F96 AromaticContact CE1-CD2 3.82Å; Y88-F96 HydrophobicContact CE1-CD2 3.82Å; Y88-F96 HydrophobicContact CE1-CE2 4.21Å; Y88-F96 HydrophobicContact CE2-CB 4.16Å; Y88-F96 AromaticContact CE2-CD2 3.69Å; Y88-F96 HydrophobicContact CE2-CD2 3.69Å; Y88-F96 HydrophobicContact CE2-CG 4.27Å; Y88-F96 HydrophobicContact CG-CB 4.22Å; Y88-F96 AromaticContact CG-CD2 3.96Å; Y88-F96 HydrophobicContact CG-CD2 3.96Å; Y88-F96 AromaticContact CZ-CD2 3.7Å; D92-F96 PolarHBondContact O-N 3.06Å; Q93-F96 PolarHBondContact O-N 2.93Å; E94-F96 PolarHBondContact O-N 2.86Å; F96-N98 PolarHBondContact O-N 2.84Å; F96-V99 HydrophobicContact CD2-CG2 4.47Å; F96-V99 WeakPolarHBondContact O-CB 3.13Å; F96-V99 VanDerWaalsContact O-CG2 3.27Å; F96-V99 WeakPolarHBondContact O-CG2 3.22Å; F96-V99 PolarHBondContact O-N 2.8Å; F96-V99 VanDerWaalsContact O-N 3.11Å; F96-L118 HydrophobicContact CE2-CD2 4.48Å; F96-V131 HydrophobicContact CB-CG1 4.35Å; F96-V131 HydrophobicContact CB-CG2 3.77Å; F96-V131 HydrophobicContact CD1-CG1 4.1Å; F96-V131 HydrophobicContact CD2-CG1 3.94Å; F96-V131 HydrophobicContact CE1-CG1 4.37Å; F96-V131 HydrophobicContact CE2-CG1 4.23Å; F96-V131 HydrophobicContact CG-CG1 3.85Å; F96-V131 HydrophobicContact CG-CG2 4.17Å; F96-V131 HydrophobicContact CZ-CG1 4.44Å; F96-A136 HydrophobicContact CE2-CB 3.74Å; F96-A136 HydrophobicContact CZ-CB 4.13Å; F96-F139 HydrophobicContact CE2-CD1 4.21Å; F96-F139 HydrophobicContact CZ-CB 3.99Å; F96-F139 HydrophobicContact CZ-CD1 4.1Å; F96-F139 HydrophobicContact CZ-CG 4.01Å
97N96.2Very high95.3Very high92 Ų9244.7 Ų44.749%0.49222%0.219SC..Hα-helixtrans-60.7-36.8177-67-18.8000111.7Q93 E94 V99Q93-N97 PolarHBondContact NE2-OD1 3.01Å; Q93-N97 VanDerWaalsContact NE2-OD1 3.17Å; Q93-N97 PolarHBondContact O-N 2.98Å; Q93-N97 PolarHBondContact O-ND2 2.96Å; Q93-N97 PolarHBondContact O-OD1 3.19Å; E94-N97 PolarHBondContact O-N 2.69Å; E94-N97 VanDerWaalsContact O-N 3.08Å; N97-V99 PolarHBondContact O-N 2.87Å
98N95.3Very high95Very high25 Ų2553.6 Ų53.613%0.13425%0.252CS..THydrogen-bonded Turntrans-71.9-12.9178.9-71.9-22.9000113.9D16 E94 F96 K100 Q101 W102D16-N98 WeakPolarHBondContact OD2-CB 3.44Å; D16-N98 PolarHBondContact OD2-ND2 2.95Å; E94-N98 WeakPolarHBondContact O-CB 3.39Å; E94-N98 PolarHBondContact O-N 2.84Å; E94-N98 PolarHBondContact O-ND2 2.65Å; F96-N98 PolarHBondContact O-N 2.84Å; N98-K100 PolarHBondContact O-N 2.76Å; N98-K100 VanDerWaalsContact O-N 3.16Å; N98-Q101 WeakPolarHBondContact O-CB 3.35Å; N98-Q101 PolarHBondContact O-N 2.81Å; N98-Q101 PolarHBondContact OD1-NE2 2.86Å; N98-W102 PolarHBondContact O-N 2.79Å
99V95.5Very high94.7Very high1 Ų158 Ų581%0.00627%0.269CS..Hα-helixtrans-53.1-37.5173.9172.30000111.5V86 Y88 F96 N97 Q101 W102 L103 L118 F139V86-V99 HydrophobicContact CG1-CG1 4.08Å; V86-V99 HydrophobicContact CG1-CG2 4.38Å; Y88-V99 HydrophobicContact CD1-CG2 4.26Å; Y88-V99 HydrophobicContact CG-CG2 4.35Å; F96-V99 HydrophobicContact CD2-CG2 4.47Å; F96-V99 WeakPolarHBondContact O-CB 3.13Å; F96-V99 VanDerWaalsContact O-CG2 3.27Å; F96-V99 WeakPolarHBondContact O-CG2 3.22Å; F96-V99 PolarHBondContact O-N 2.8Å; F96-V99 VanDerWaalsContact O-N 3.11Å; N97-V99 PolarHBondContact O-N 2.87Å; V99-Q101 VanDerWaalsContact C-N 3.28Å; V99-Q101 PolarHBondContact O-N 3.34Å; V99-W102 PolarHBondContact O-N 2.98Å; V99-L103 HydrophobicContact CG1-CD1 4Å; V99-L103 HydrophobicContact CG1-CG 4.22Å; V99-L103 WeakPolarHBondContact O-CG 3.16Å; V99-L103 PolarHBondContact O-N 2.81Å; V99-L118 HydrophobicContact CG1-CD1 3.74Å; V99-L118 HydrophobicContact CG2-CD1 4.04Å; V99-F139 HydrophobicContact CB-CE1 4.45Å; V99-F139 HydrophobicContact CG1-CE1 3.7Å; V99-F139 HydrophobicContact CG1-CZ 4.16Å
100K94.1Very high94.4Very high131 Ų13158.5 Ų58.557%0.5728%0.275SS*.Hα-helixtrans-59.3-39176.7-69.3179.8-179.8175.30112.5N98 L103 Q104 F139N98-K100 PolarHBondContact O-N 2.76Å; N98-K100 VanDerWaalsContact O-N 3.16Å; K100-L103 PolarHBondContact O-N 3.07Å; K100-Q104 WeakPolarHBondContact O-CG 3.49Å; K100-Q104 PolarHBondContact O-N 3.42Å; K100-Q104 VanDerWaalsContact O-N 3.12Å; K100-F139 HydrophobicContact CG-CE2 3.99Å; K100-F139 HydrophobicContact CG-CZ 3.94Å
101Q92.7Very high94Very high82 Ų8261.7 Ų61.738%0.38330%0.297SS..Hα-helixtrans-68.6-42.5177.1-59.2178.612.200110.8R71 N98 V99 L103 Q104 E105R71-Q101 VanDerWaalsContact NH1-OE1 3.1Å; N98-Q101 WeakPolarHBondContact O-CB 3.35Å; N98-Q101 PolarHBondContact O-N 2.81Å; N98-Q101 PolarHBondContact OD1-NE2 2.86Å; V99-Q101 VanDerWaalsContact C-N 3.28Å; V99-Q101 PolarHBondContact O-N 3.34Å; Q101-L103 VanDerWaalsContact C-N 3.31Å; Q101-L103 PolarHBondContact O-N 2.75Å; Q101-Q104 WeakPolarHBondContact O-CB 3.42Å; Q101-Q104 PolarHBondContact O-N 3.13Å; Q101-Q104 VanDerWaalsContact O-N 3.16Å; Q101-E105 PolarHBondContact O-N 3.44Å
102W93.4Very high93.4Very high1 Ų169.5 Ų69.50%0.00433%0.331CS..Hα-helixtrans-61.4-39.6176-69.5113.3000112.4I14 G15 D16 R71 V86 N98 V99 E105 I106I14-W102 HydrophobicContact CB-CE3 4.1Å; I14-W102 HydrophobicContact CB-CZ3 4.39Å; I14-W102 HydrophobicContact CD1-CB 3.91Å; I14-W102 HydrophobicContact CD1-CD2 4.47Å; I14-W102 HydrophobicContact CD1-CE3 4.02Å; I14-W102 HydrophobicContact CD1-CG 4.49Å; I14-W102 HydrophobicContact CG1-CE3 4.39Å; G15-W102 VanDerWaalsContact C-CE2 3.49Å; G15-W102 WeakPolarHBondContact O-CZ2 3.32Å; D16-W102 PolarHBondContact OD1-NE1 3.13Å; R71-W102 HydrophobicContact CG-CH2 3.91Å; R71-W102 HydrophobicContact CG-CZ3 4.27Å; V86-W102 HydrophobicContact CG1-CB 3.92Å; V86-W102 HydrophobicContact CG1-CG 4.46Å; N98-W102 PolarHBondContact O-N 2.79Å; V99-W102 PolarHBondContact O-N 2.98Å; W102-E105 WeakPolarHBondContact CZ3-OE2 3.33Å; W102-E105 WeakPolarHBondContact O-CB 3.25Å; W102-E105 PolarHBondContact O-N 3.23Å; W102-I106 WeakPolarHBondContact O-CG1 3.45Å; W102-I106 PolarHBondContact O-N 2.86Å
103L93.4Very high92.9Very high16 Ų1672.7 Ų72.78%0.08435%0.348CS..Hα-helixtrans-63.7-40.3174.1-68.1170.2000112.1V86 V99 K100 Q101 E105 I106 D107 K116 F139 L143 I145V86-L103 HydrophobicContact CG2-CD2 4.3Å; V99-L103 HydrophobicContact CG1-CD1 4Å; V99-L103 HydrophobicContact CG1-CG 4.22Å; V99-L103 WeakPolarHBondContact O-CG 3.16Å; V99-L103 PolarHBondContact O-N 2.81Å; K100-L103 PolarHBondContact O-N 3.07Å; Q101-L103 VanDerWaalsContact C-N 3.31Å; Q101-L103 PolarHBondContact O-N 2.75Å; L103-E105 VanDerWaalsContact C-N 3.3Å; L103-E105 PolarHBondContact O-N 3.08Å; L103-I106 HydrophobicContact CD2-CD1 4.21Å; L103-I106 WeakPolarHBondContact O-CB 3.3Å; L103-I106 PolarHBondContact O-N 3.29Å; L103-D107 PolarHBondContact O-N 3.46Å; L103-K116 HydrophobicContact CD2-CD 4.38Å; L103-F139 HydrophobicContact CD1-CE1 4.25Å; L103-F139 HydrophobicContact CD1-CZ 4.03Å; L103-L143 HydrophobicContact CD1-CD1 3.4Å; L103-I145 HydrophobicContact CD2-CD1 4.41Å
104Q92.4Very high92.8Very high133 Ų13369.8 Ų69.862%0.62134%0.336SS*.Hα-helixtrans-63.1-35.4173.9-70.5170.6-2.200112.3K100 Q101 D107 R108K100-Q104 WeakPolarHBondContact O-CG 3.49Å; K100-Q104 PolarHBondContact O-N 3.42Å; K100-Q104 VanDerWaalsContact O-N 3.12Å; Q101-Q104 WeakPolarHBondContact O-CB 3.42Å; Q101-Q104 PolarHBondContact O-N 3.13Å; Q101-Q104 VanDerWaalsContact O-N 3.16Å; Q104-D107 PolarHBondContact O-N 3.46Å; Q104-R108 WeakPolarHBondContact O-CB 3.37Å; Q104-R108 PolarHBondContact O-N 2.89Å
105E90.3Very high92.8Very high28 Ų2864.6 Ų64.613%0.13131%0.312CS..Hα-helixtrans-65.6-41173-71.1-169.6-167.400112.1R71 Y78 Q101 W102 L103 D107 R108 Y109R71-E105 WeakPolarHBondContact CD-OE1 3.48Å; Y78-E105 HydrophobicContact CE1-CB 4.41Å; Y78-E105 PolarHBondContact OH-OE2 2.76Å; Q101-E105 PolarHBondContact O-N 3.44Å; W102-E105 WeakPolarHBondContact CZ3-OE2 3.33Å; W102-E105 WeakPolarHBondContact O-CB 3.25Å; W102-E105 PolarHBondContact O-N 3.23Å; L103-E105 VanDerWaalsContact C-N 3.3Å; L103-E105 PolarHBondContact O-N 3.08Å; E105-D107 VanDerWaalsContact C-N 3.35Å; E105-R108 PolarHBondContact O-N 2.93Å; E105-Y109 HydrophobicContact CB-CD2 4.32Å; E105-Y109 VanDerWaalsContact O-CD2 3.3Å; E105-Y109 WeakPolarHBondContact O-CD2 3.23Å; E105-Y109 PolarHBondContact O-N 2.84Å
106I92.6Very high92.9Very high2 Ų267.1 Ų67.11%0.0132%0.323CS..Hα-helixtrans-57.4-51.3173.6-65.6174.4000109.8I14 Y78 I84 V86 W102 L103 R108 Y109 A110 V114 K116I14-I106 HydrophobicContact CD1-CD1 3.83Å; I14-I106 HydrophobicContact CD1-CG1 3.74Å; Y78-I106 HydrophobicContact CD1-CG1 4.4Å; Y78-I106 HydrophobicContact CE1-CG1 3.87Å; I84-I106 HydrophobicContact CB-CD1 4.09Å; I84-I106 HydrophobicContact CD1-CB 4.44Å; I84-I106 HydrophobicContact CD1-CD1 4.32Å; I84-I106 HydrophobicContact CD1-CG1 3.88Å; I84-I106 HydrophobicContact CD1-CG2 3.99Å; I84-I106 HydrophobicContact CG2-CD1 3.68Å; I84-I106 HydrophobicContact CG2-CG1 4.07Å; V86-I106 HydrophobicContact CG2-CD1 3.72Å; W102-I106 WeakPolarHBondContact O-CG1 3.45Å; W102-I106 PolarHBondContact O-N 2.86Å; L103-I106 HydrophobicContact CD2-CD1 4.21Å; L103-I106 WeakPolarHBondContact O-CB 3.3Å; L103-I106 PolarHBondContact O-N 3.29Å; I106-R108 PolarHBondContact O-N 3.46Å; I106-Y109 PolarHBondContact O-N 3.5Å; I106-A110 HydrophobicContact CG2-CB 3.87Å; I106-A110 WeakPolarHBondContact O-CA 3.32Å; I106-A110 WeakPolarHBondContact O-CB 3.28Å; I106-A110 PolarHBondContact O-N 3.32Å; I106-V114 HydrophobicContact CG2-CG1 3.61Å; I106-K116 HydrophobicContact CD1-CD 4.47Å; I106-K116 HydrophobicContact CD1-CG 4.43Å; I106-K116 HydrophobicContact CG2-CD 4.19Å; I106-K116 HydrophobicContact CG2-CG 4.43Å
107D91.8Very high92.9Very high108 Ų10866.4 Ų66.458%0.57832%0.32SS*.Hα-helixtrans-63.7-26.1-177.6-63.9-20.6000112L103 Q104 E105 K116L103-D107 PolarHBondContact O-N 3.46Å; Q104-D107 PolarHBondContact O-N 3.46Å; E105-D107 VanDerWaalsContact C-N 3.35Å; D107-K116 IonicContact OD1-NZ 3.33Å; D107-K116 PolarHBondContact OD1-NZ 2.97Å
108R91.2Very high93Very high189 Ų18962 Ų6271%0.71330%0.296SS*.Hα-helixtrans-82.4-37.5178.8-170.6173.6-173173.22.8114.2Q104 E105 I106Q104-R108 WeakPolarHBondContact O-CB 3.37Å; Q104-R108 PolarHBondContact O-N 2.89Å; E105-R108 PolarHBondContact O-N 2.93Å; I106-R108 PolarHBondContact O-N 3.46Å
109Y90.8Very high93.1Very high92 Ų9260.9 Ų60.936%0.36129%0.29SS..Hα-helixtrans-118.4-22.3-167.6-58.9-60000114.8Y78 E105 I106Y78-Y109 HydrophobicContact CD2-CD2 4.49Å; E105-Y109 HydrophobicContact CB-CD2 4.32Å; E105-Y109 VanDerWaalsContact O-CD2 3.3Å; E105-Y109 WeakPolarHBondContact O-CD2 3.23Å; E105-Y109 PolarHBondContact O-N 2.84Å; I106-Y109 PolarHBondContact O-N 3.5Å
110A92.1Very high93.3Very high19 Ų1960.8 Ų60.816%0.15729%0.29CS..SBendtrans-86171.5179.600000111.9Y78 I84 I106 V114Y78-A110 HydrophobicContact CD1-CB 4.33Å; I84-A110 HydrophobicContact CD1-CB 3.83Å; I106-A110 HydrophobicContact CG2-CB 3.87Å; I106-A110 WeakPolarHBondContact O-CA 3.32Å; I106-A110 WeakPolarHBondContact O-CB 3.28Å; I106-A110 PolarHBondContact O-N 3.32Å; A110-V114 HydrophobicContact CB-CB 4.23Å; A110-V114 HydrophobicContact CB-CG1 3.77Å; A110-V114 HydrophobicContact CB-CG2 4.49Å
111S89.6Confident93.4Very high67 Ų6754.7 Ų54.747%0.46926%0.264SS..  trans-73.5144.3171.8-59.70000110.6N113 V114S111-N113 PolarHBondContact O-N 2.94Å; S111-V114 VanDerWaalsContact O-CB 3.32Å; S111-V114 WeakPolarHBondContact O-CB 3.48Å; S111-V114 WeakPolarHBondContact O-CG1 3.45Å; S111-V114 PolarHBondContact O-N 2.95Å
112E84.3Confident93.6Very high193 Ų19353.5 Ų53.590%0.90226%0.257SS*.THydrogen-bonded Turntrans-51.2-34.7-176.1-67.5179.5171.600113.6
113N87.3Confident93.8Very high125 Ų12554.6 Ų54.667%0.66827%0.265SS*.THydrogen-bonded Turntrans-93.511-176.5-64.8-40.1000114.4S111 N115 R172S111-N113 PolarHBondContact O-N 2.94Å; N113-N115 PolarHBondContact O-N 3.29Å; N113-R172 VanDerWaalsContact O-CD 3.29Å; N113-R172 WeakPolarHBondContact O-CD 3.27Å; N113-R172 PolarHBondContact O-NH1 2.87Å
114V94.9Very high93.9Very high11 Ų1156.5 Ų56.57%0.06728%0.275CS..  trans-59.3132.7-177.970.50000111.2A81 I84 I106 A110 S111 K116A81-V114 HydrophobicContact CB-CG2 4.46Å; I84-V114 HydrophobicContact CD1-CG1 4.46Å; I84-V114 HydrophobicContact CD1-CG2 3.91Å; I84-V114 HydrophobicContact CG1-CG2 3.75Å; I106-V114 HydrophobicContact CG2-CG1 3.61Å; A110-V114 HydrophobicContact CB-CB 4.23Å; A110-V114 HydrophobicContact CB-CG1 3.77Å; A110-V114 HydrophobicContact CB-CG2 4.49Å; S111-V114 VanDerWaalsContact O-CB 3.32Å; S111-V114 WeakPolarHBondContact O-CB 3.48Å; S111-V114 WeakPolarHBondContact O-CG1 3.45Å; S111-V114 PolarHBondContact O-N 2.95Å; V114-K116 HydrophobicContact CG1-CG 4.38Å
115N96.9Very high94Very high23 Ų2352.9 Ų52.912%0.12326%0.26CS..EExtended strand (participates in β ladder)trans-72.8138.5175-69.888.8000109.3H82 G83 I84 N113 M165 E168 I169 R172H82-N115 PolarHBondContact O-N 3.26Å; H82-N115 VanDerWaalsContact O-N 3.11Å; G83-N115 CarbonylContact C-O 3.57Å; G83-N115 WeakPolarHBondContact CA-O 3.33Å; I84-N115 PolarHBondContact N-O 3.45Å; N113-N115 PolarHBondContact O-N 3.29Å; N115-M165 HydrophobicContact CB-SD 3.71Å; N115-E168 PolarHBondContact ND2-O 3.46Å; N115-I169 HydrophobicContact CB-CG1 3.84Å; N115-I169 WeakPolarHBondContact OD1-CA 3.37Å; N115-I169 WeakPolarHBondContact OD1-CG1 3.41Å; N115-R172 WeakPolarHBondContact OD1-CD 3.28Å; N115-R172 PolarHBondContact OD1-NE 3.37Å; N115-R172 PolarHBondContact OD1-NH1 3.28Å
116K97.3Very high94.1Very high54 Ų5456.6 Ų56.624%0.23528%0.284CS..EExtended strand (participates in β ladder)trans-120.4141.8-178.7-53.7175.3-154.8-177.10108.4I84 L103 I106 D107 V114 I145 P146I84-K116 WeakPolarHBondContact O-CA 3.44Å; L103-K116 HydrophobicContact CD2-CD 4.38Å; I106-K116 HydrophobicContact CD1-CD 4.47Å; I106-K116 HydrophobicContact CD1-CG 4.43Å; I106-K116 HydrophobicContact CG2-CD 4.19Å; I106-K116 HydrophobicContact CG2-CG 4.43Å; D107-K116 IonicContact OD1-NZ 3.33Å; D107-K116 PolarHBondContact OD1-NZ 2.97Å; V114-K116 HydrophobicContact CG1-CG 4.38Å; K116-I145 HydrophobicContact CB-CB 4.42Å; K116-I145 HydrophobicContact CB-CG2 3.8Å; K116-I145 HydrophobicContact CD-CG2 4.39Å; K116-P146 WeakPolarHBondContact O-CD 3.46Å
117L98Very high94.1Very high2 Ų263 Ų631%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-137131.9174.1172.568.7000108.4I84 I85 V86 V119 P146 L148 A161 M165I84-L117 PolarHBondContact O-N 3.28Å; I85-L117 WeakPolarHBondContact CA-O 3.41Å; I85-L117 HydrophobicContact CD1-CD2 4.27Å; I85-L117 HydrophobicContact CG1-CB 4.38Å; I85-L117 HydrophobicContact CG1-CD2 4.2Å; I85-L117 HydrophobicContact CG2-CD2 4.23Å; I85-L117 HydrophobicContact CG2-CG 4.44Å; V86-L117 PolarHBondContact N-O 3.2Å; L117-V119 HydrophobicContact CD2-CG2 3.94Å; L117-V119 HydrophobicContact CG-CG2 3.97Å; L117-P146 HydrophobicContact CD1-CB 3.74Å; L117-L148 HydrophobicContact CD1-CD1 4.47Å; L117-A161 HydrophobicContact CD2-CB 4.17Å; L117-A161 VanDerWaalsContact CD2-O 3.26Å; L117-A161 WeakPolarHBondContact CD2-O 3.19Å; L117-M165 HydrophobicContact CB-CE 3.37Å; L117-M165 HydrophobicContact CD2-CB 4.34Å
118L98.4Very high94.2Very high0 Ų064.5 Ų64.50%033%0.325CS..EExtended strand (participates in β ladder)trans-94.4130.8172-174.763.4000110.1V86 Y88 F96 V99 F139 A140 I145 P146 F147 L148V86-L118 HydrophobicContact CB-CD1 4.23Å; V86-L118 HydrophobicContact CG1-CD1 4.41Å; Y88-L118 HydrophobicContact CD1-CD1 3.83Å; Y88-L118 HydrophobicContact CD1-CG 4.25Å; Y88-L118 HydrophobicContact CE1-CD1 4.11Å; Y88-L118 HydrophobicContact CE1-CD2 4.24Å; Y88-L118 HydrophobicContact CE1-CG 4.02Å; F96-L118 HydrophobicContact CE2-CD2 4.48Å; V99-L118 HydrophobicContact CG1-CD1 3.74Å; V99-L118 HydrophobicContact CG2-CD1 4.04Å; L118-F139 HydrophobicContact CD2-CD1 3.94Å; L118-F139 HydrophobicContact CD2-CE1 4.3Å; L118-A140 HydrophobicContact CD2-CB 4.11Å; L118-I145 HydrophobicContact CB-CD1 4.03Å; L118-P146 PolarHBondContact N-O 2.91Å; L118-F147 HydrophobicContact CB-CD2 4.02Å; L118-F147 HydrophobicContact CD2-CD2 3.88Å; L118-F147 HydrophobicContact CD2-CE2 4.37Å; L118-F147 HydrophobicContact CG-CD2 3.82Å; L118-F147 HydrophobicContact CG-CE2 4.34Å; L118-F147 WeakPolarHBondContact O-CA 3.23Å; L118-F147 WeakPolarHBondContact O-CD2 3.28Å; L118-L148 PolarHBondContact O-N 3.11Å; L118-L148 VanDerWaalsContact O-N 3.09Å
119V98.6Very high94.4Very high1 Ų158.4 Ų58.41%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-125.5119.4176.9177.80000110.7L24 I85 V86 V87 Y88 L117 L148 A150 A161L24-V119 HydrophobicContact CD1-CG1 4.16Å; I85-V119 HydrophobicContact CG2-CB 4.17Å; I85-V119 HydrophobicContact CG2-CG2 3.49Å; I85-V119 VanDerWaalsContact CG2-CG2 3.49Å; V86-V119 PolarHBondContact O-N 2.89Å; V87-V119 WeakPolarHBondContact CA-O 3.46Å; V87-V119 HydrophobicContact CG2-CB 4.45Å; Y88-V119 WeakPolarHBondContact CD1-O 3.44Å; Y88-V119 PolarHBondContact N-O 2.76Å; L117-V119 HydrophobicContact CD2-CG2 3.94Å; L117-V119 HydrophobicContact CG-CG2 3.97Å; V119-L148 CarbonylContact C-O 3.58Å; V119-L148 VanDerWaalsContact CA-O 3.26Å; V119-L148 WeakPolarHBondContact CA-O 3.31Å; V119-A150 HydrophobicContact CG1-CB 3.83Å; V119-A161 HydrophobicContact CG2-CB 4.17Å
120G98.4Very high94.6Very high0 Ų059.1 Ų59.10%031%0.313CS..EExtended strand (participates in β ladder)trans-89.4101.3168.100000110.3Y88 L148 E149 A150Y88-G120 VanDerWaalsContact CZ-CA 3.45Å; G120-L148 PolarHBondContact N-O 3.1Å; G120-E149 CarbonylContact O-C 3.52Å; G120-E149 WeakPolarHBondContact O-CA 3.17Å; G120-A150 PolarHBondContact O-N 3.44Å
121N98.1Very high94.9Very high3 Ų358.3 Ų58.32%0.01631%0.306CS..EExtended strand (participates in β ladder)trans-84.7167.7-177.5-167.430.7000112.3V19 L24 V87 Y88 V90 A150 A152V19-N121 PolarHBondContact O-ND2 3.23Å; L24-N121 HydrophobicContact CD1-CB 4.24Å; V87-N121 HydrophobicContact CG1-CB 3.83Å; Y88-N121 PolarHBondContact O-N 3.11Å; V90-N121 WeakPolarHBondContact CG1-O 3.26Å; V90-N121 WeakPolarHBondContact CG2-O 3.2Å; V90-N121 PolarHBondContact N-O 3.27Å; N121-A150 CarbonylContact C-O 3.47Å; N121-A150 VanDerWaalsContact C-O 3.29Å; N121-A150 VanDerWaalsContact CA-O 3.23Å; N121-A150 WeakPolarHBondContact CA-O 3.42Å; N121-A150 PolarHBondContact OD1-O 3.21Å; N121-A152 PolarHBondContact OD1-N 2.71Å
122K96.9Very high95.2Very high57 Ų5759.9 Ų59.925%0.24831%0.309CS..  trans65.732.2-179.2-45.1-169.5-163.3165.10113.9G18 D89 V90 D124 L125 A150G18-K122 WeakPolarHBondContact O-CE 3.21Å; G18-K122 PolarHBondContact O-NZ 3.28Å; D89-K122 VanDerWaalsContact OD2-CD 3.25Å; D89-K122 WeakPolarHBondContact OD2-CD 3.43Å; D89-K122 WeakPolarHBondContact OD2-CE 3.24Å; D89-K122 IonicContact OD2-NZ 2.64Å; D89-K122 PolarHBondContact OD2-NZ 2.97Å; V90-K122 WeakPolarHBondContact CG2-O 3.26Å; K122-D124 WeakPolarHBondContact CA-OD1 3.46Å; K122-D124 PolarHBondContact O-N 2.94Å; K122-L125 HydrophobicContact CB-CD1 4.17Å; K122-L125 HydrophobicContact CB-CG 4.49Å; K122-L125 HydrophobicContact CD-CD1 4.33Å; K122-L125 PolarHBondContact O-N 3.41Å; K122-A150 PolarHBondContact N-O 3.14Å
123C96.4Very high95.7Very high24 Ų2455.6 Ų55.616%0.16229%0.286CS..THydrogen-bonded Turntrans-63.7-11.5178.375.30000114.2L125 E149 A150C123-L125 PolarHBondContact O-N 3.09Å; C123-E149 HydrophobicContact CB-CB 3.93Å; C123-A150 PolarHBondContact N-O 2.9Å; C123-A150 VanDerWaalsContact N-O 3.12Å; C123-A150 PolarHBondContact SG-O 3.02Å; C123-A150 VanDerWaalsContact SG-O 3.38Å
124D95.9Very high96.2Very high55 Ų5553.7 Ų53.729%0.29428%0.279SS..THydrogen-bonded Turntrans-66-24.6170.657-71.8000113.1K122 T126 S151K122-D124 WeakPolarHBondContact CA-OD1 3.46Å; K122-D124 PolarHBondContact O-N 2.94Å; D124-T126 PolarHBondContact O-N 3.32Å; D124-S151 VanDerWaalsContact CG-OG 3.25Å; D124-S151 VanDerWaalsContact OD1-CB 3.26Å; D124-S151 WeakPolarHBondContact OD1-CB 3.49Å; D124-S151 PolarHBondContact OD1-OG 3.21Å
125L93.8Very high96.2Very high58 Ų5856.5 Ų56.530%0.30430%0.296SS..  trans-85.355.5-178.8-60.8-179.8000112.5T91 K122 C123 T127 K128 K129T91-L125 HydrophobicContact CG2-CB 3.6Å; T91-L125 HydrophobicContact CG2-CD1 3.9Å; T91-L125 HydrophobicContact CG2-CG 4.39Å; K122-L125 HydrophobicContact CB-CD1 4.17Å; K122-L125 HydrophobicContact CB-CG 4.49Å; K122-L125 HydrophobicContact CD-CD1 4.33Å; K122-L125 PolarHBondContact O-N 3.41Å; C123-L125 PolarHBondContact O-N 3.09Å; L125-T127 VanDerWaalsContact C-N 3.28Å; L125-T127 PolarHBondContact O-N 3.14Å; L125-T127 VanDerWaalsContact O-N 3.16Å; L125-K128 HydrophobicContact CB-CB 4.41Å; L125-K128 PolarHBondContact O-N 3.16Å; L125-K129 PolarHBondContact O-N 3.29Å
126T92.3Very high96.2Very high106 Ų10655.4 Ų55.465%0.6529%0.29SS*.G310 helixtrans-52.9-38.9-173.853.40000114.4D124 K128 K129D124-T126 PolarHBondContact O-N 3.32Å; T126-K128 VanDerWaalsContact C-N 3.32Å; T126-K128 PolarHBondContact O-N 2.56Å; T126-K129 WeakPolarHBondContact O-CB 3.25Å; T126-K129 PolarHBondContact O-N 2.76Å
127T94.1Very high96.2Very high137 Ų13755.9 Ų55.984%0.8429%0.292SS*.G310 helixtrans-76.1-16.9-178.9570000114.4L125L125-T127 VanDerWaalsContact C-N 3.28Å; L125-T127 PolarHBondContact O-N 3.14Å; L125-T127 VanDerWaalsContact O-N 3.16Å
128K93Very high96.2Very high138 Ų13861.6 Ų61.660%0.632%0.319SS*.G310 helixtrans-1063.9178.7-63.2-174.7178.7-1770112.3T91 L125 T126 L130T91-K128 WeakPolarHBondContact CA-O 3.3Å; T91-K128 WeakPolarHBondContact CB-O 3.45Å; T91-K128 HydrophobicContact CG2-CB 3.82Å; T91-K128 WeakPolarHBondContact CG2-O 3.47Å; L125-K128 HydrophobicContact CB-CB 4.41Å; L125-K128 PolarHBondContact O-N 3.16Å; T126-K128 VanDerWaalsContact C-N 3.32Å; T126-K128 PolarHBondContact O-N 2.56Å; K128-L130 PolarHBondContact O-N 2.8Å
129K95.1Very high96.1Very high62 Ų6263.3 Ų63.327%0.2733%0.327SS..  trans-64123.5-178.4-172.5168.4-178.81710109.4V90 L125 T126 V131 E149V90-K129 HydrophobicContact CB-CG 4.22Å; V90-K129 HydrophobicContact CG2-CG 4.27Å; L125-K129 PolarHBondContact O-N 3.29Å; T126-K129 WeakPolarHBondContact O-CB 3.25Å; T126-K129 PolarHBondContact O-N 2.76Å; K129-V131 WeakPolarHBondContact CE-O 3.26Å; K129-V131 WeakPolarHBondContact CG-O 3.29Å; K129-E149 WeakPolarHBondContact CE-OE1 3.31Å; K129-E149 IonicContact NZ-OE1 3.43Å; K129-E149 PolarHBondContact NZ-OE1 2.89Å; K129-E149 IonicContact NZ-OE2 2.76Å; K129-E149 PolarHBondContact NZ-OE2 2.77Å
130L96.4Very high96Very high107 Ų10763.3 Ų63.356%0.5633%0.326SS*.  trans-107.9-27.3177.2-62.3-176.5000111.8V90 T91 K128V90-L130 PolarHBondContact O-N 3.46Å; T91-L130 VanDerWaalsContact O-CD1 3.24Å; T91-L130 WeakPolarHBondContact O-CD1 3.29Å; K128-L130 PolarHBondContact O-N 2.8Å
131V96.6Very high95.9Very high2 Ų267.2 Ų67.21%0.01235%0.347CS..SBendtrans-101.7112.4-179.4-175.10000109.4Y88 V90 F96 K129 A136Y88-V131 HydrophobicContact CE2-CB 3.99Å; Y88-V131 HydrophobicContact CE2-CG1 3.79Å; Y88-V131 HydrophobicContact CE2-CG2 4.13Å; V90-V131 PolarHBondContact O-N 3.13Å; F96-V131 HydrophobicContact CB-CG1 4.35Å; F96-V131 HydrophobicContact CB-CG2 3.77Å; F96-V131 HydrophobicContact CD1-CG1 4.1Å; F96-V131 HydrophobicContact CD2-CG1 3.94Å; F96-V131 HydrophobicContact CE1-CG1 4.37Å; F96-V131 HydrophobicContact CE2-CG1 4.23Å; F96-V131 HydrophobicContact CG-CG1 3.85Å; F96-V131 HydrophobicContact CG-CG2 4.17Å; F96-V131 HydrophobicContact CZ-CG1 4.44Å; K129-V131 WeakPolarHBondContact CE-O 3.26Å; K129-V131 WeakPolarHBondContact CG-O 3.29Å; V131-A136 HydrophobicContact CG1-CB 4.17Å
132D95.8Very high95.8Very high99 Ų9973.8 Ų73.853%0.52938%0.382SS..  trans-66.9143.1177.2-70.7-34.3000112.4T134 T135 A136D132-T134 VanDerWaalsContact C-N 3.3Å; D132-T134 PolarHBondContact O-N 3.42Å; D132-T135 PolarHBondContact O-N 2.84Å; D132-A136 PolarHBondContact O-N 3.13Å; D132-A136 VanDerWaalsContact O-N 3.1Å
133Y96Very high95.6Very high103 Ų10375 Ų7540%0.40439%0.391SS..Hα-helixtrans-58.6-44.1179.3179-86.4000111.4T135 A136 K137 F147 E149Y133-T135 PolarHBondContact O-N 3.38Å; Y133-A136 PolarHBondContact O-N 2.86Å; Y133-K137 HydrophobicContact CD1-CB 4.29Å; Y133-K137 HydrophobicContact CE1-CB 4.01Å; Y133-K137 HydrophobicContact CE1-CG 4.19Å; Y133-K137 WeakPolarHBondContact O-CB 3.39Å; Y133-K137 PolarHBondContact O-N 3.23Å; Y133-F147 AromaticContact CD2-CE1 3.62Å; Y133-F147 HydrophobicContact CD2-CE1 3.62Å; Y133-F147 HydrophobicContact CD2-CZ 4.24Å; Y133-F147 HydrophobicContact CE1-CE1 4.48Å; Y133-F147 HydrophobicContact CE2-CD1 4.02Å; Y133-F147 AromaticContact CE2-CE1 3.45Å; Y133-F147 HydrophobicContact CE2-CE1 3.45Å; Y133-F147 VanDerWaalsContact CE2-CE1 3.45Å; Y133-F147 HydrophobicContact CE2-CZ 4.31Å; Y133-F147 HydrophobicContact CG-CE1 4.2Å; Y133-F147 AromaticContact CZ-CE1 3.92Å; Y133-E149 HydrophobicContact CD2-CG 3.82Å; Y133-E149 HydrophobicContact CE2-CG 4.25Å
134T96.4Very high95.5Very high85 Ų8577.1 Ų77.152%0.52142%0.417SS..Hα-helixtrans-61.3-45.8-178.946.90000111.3D132 A136 K137 E138D132-T134 VanDerWaalsContact C-N 3.3Å; D132-T134 PolarHBondContact O-N 3.42Å; T134-A136 PolarHBondContact O-N 2.93Å; T134-K137 PolarHBondContact O-N 3.24Å; T134-E138 WeakPolarHBondContact O-CB 3.13Å; T134-E138 WeakPolarHBondContact O-CG 2.93Å; T134-E138 PolarHBondContact O-N 3.29Å
135T95.8Very high95.5Very high71 Ų7175.3 Ų75.344%0.43641%0.407SS..Hα-helixtrans-61.5-45.5178.2-57.90000111.9D132 Y133 F139D132-T135 PolarHBondContact O-N 2.84Å; Y133-T135 PolarHBondContact O-N 3.38Å; T135-F139 WeakPolarHBondContact O-CB 3.33Å; T135-F139 PolarHBondContact O-N 2.91Å
136A96.8Very high95.6Very high0 Ų074.6 Ų74.60%041%0.406CS..Hα-helixtrans-68.2-36.4177.200000112.7Y88 F96 V131 D132 Y133 T134 F139 A140 F147Y88-A136 WeakPolarHBondContact OH-CB 3.45Å; F96-A136 HydrophobicContact CE2-CB 3.74Å; F96-A136 HydrophobicContact CZ-CB 4.13Å; V131-A136 HydrophobicContact CG1-CB 4.17Å; D132-A136 PolarHBondContact O-N 3.13Å; D132-A136 VanDerWaalsContact O-N 3.1Å; Y133-A136 PolarHBondContact O-N 2.86Å; T134-A136 PolarHBondContact O-N 2.93Å; A136-F139 PolarHBondContact O-N 3.43Å; A136-A140 WeakPolarHBondContact O-CB 3.18Å; A136-A140 PolarHBondContact O-N 2.97Å; A136-F147 HydrophobicContact CB-CE1 3.9Å; A136-F147 HydrophobicContact CB-CE2 3.91Å; A136-F147 HydrophobicContact CB-CZ 3.47Å; A136-F147 VanDerWaalsContact CB-CZ 3.47Å
137K97.4Very high95.9Very high63 Ų6370 Ų7027%0.27438%0.377SS..Hα-helixtrans-66.2-48.3176.8179.356.4179.8151.90111.7Y133 T134 F139 A140 D141 F147Y133-K137 HydrophobicContact CD1-CB 4.29Å; Y133-K137 HydrophobicContact CE1-CB 4.01Å; Y133-K137 HydrophobicContact CE1-CG 4.19Å; Y133-K137 WeakPolarHBondContact O-CB 3.39Å; Y133-K137 PolarHBondContact O-N 3.23Å; T134-K137 PolarHBondContact O-N 3.24Å; K137-F139 VanDerWaalsContact C-N 3.3Å; K137-F139 PolarHBondContact O-N 3.22Å; K137-A140 PolarHBondContact O-N 3.3Å; K137-D141 WeakPolarHBondContact CE-OD1 3.43Å; K137-D141 WeakPolarHBondContact CE-OD2 3.4Å; K137-D141 IonicContact NZ-OD1 2.75Å; K137-D141 PolarHBondContact NZ-OD1 2.81Å; K137-D141 IonicContact NZ-OD2 3.42Å; K137-D141 PolarHBondContact NZ-OD2 3.29Å; K137-D141 WeakPolarHBondContact O-CB 3.2Å; K137-D141 VanDerWaalsContact O-CG 3.28Å; K137-D141 PolarHBondContact O-N 2.86Å; K137-F147 HydrophobicContact CB-CD1 3.81Å; K137-F147 HydrophobicContact CB-CE1 4.13Å; K137-F147 HydrophobicContact CD-CB 4.27Å; K137-F147 HydrophobicContact CD-CD1 3.94Å; K137-F147 HydrophobicContact CG-CD1 4.46Å
138E97.8Very high96.1Very high123 Ų12364.5 Ų64.558%0.57534%0.343SS*.Hα-helixtrans-59.6-41.9174.8-74.5175.2-17100111.5T134 A140 D141 N142T134-E138 WeakPolarHBondContact O-CB 3.13Å; T134-E138 WeakPolarHBondContact O-CG 2.93Å; T134-E138 PolarHBondContact O-N 3.29Å; E138-A140 PolarHBondContact O-N 3.34Å; E138-D141 PolarHBondContact O-N 2.89Å; E138-N142 WeakPolarHBondContact O-CB 3.34Å; E138-N142 PolarHBondContact O-N 2.99Å; E138-N142 PolarHBondContact O-ND2 3.34Å
139F96.9Very high96.3Very high36 Ų3659 Ų5916%0.15832%0.319CS..Hα-helixtrans-58.7-45.9174.4174.6-98.1000112F96 V99 K100 L103 L118 T135 A136 K137 L143F96-F139 HydrophobicContact CE2-CD1 4.21Å; F96-F139 HydrophobicContact CZ-CB 3.99Å; F96-F139 HydrophobicContact CZ-CD1 4.1Å; F96-F139 HydrophobicContact CZ-CG 4.01Å; V99-F139 HydrophobicContact CB-CE1 4.45Å; V99-F139 HydrophobicContact CG1-CE1 3.7Å; V99-F139 HydrophobicContact CG1-CZ 4.16Å; K100-F139 HydrophobicContact CG-CE2 3.99Å; K100-F139 HydrophobicContact CG-CZ 3.94Å; L103-F139 HydrophobicContact CD1-CE1 4.25Å; L103-F139 HydrophobicContact CD1-CZ 4.03Å; L118-F139 HydrophobicContact CD2-CD1 3.94Å; L118-F139 HydrophobicContact CD2-CE1 4.3Å; T135-F139 WeakPolarHBondContact O-CB 3.33Å; T135-F139 PolarHBondContact O-N 2.91Å; A136-F139 PolarHBondContact O-N 3.43Å; K137-F139 VanDerWaalsContact C-N 3.3Å; K137-F139 PolarHBondContact O-N 3.22Å; F139-L143 HydrophobicContact CD1-CD1 4.07Å; F139-L143 HydrophobicContact CE1-CD1 3.5Å; F139-L143 VanDerWaalsContact CE1-CD1 3.5Å; F139-L143 HydrophobicContact CE2-CD1 4.07Å; F139-L143 HydrophobicContact CZ-CD1 3.51Å; F139-L143 WeakPolarHBondContact O-CG 3.46Å; F139-L143 PolarHBondContact O-N 3.3Å
140A96.9Very high96.5Very high0 Ų056 Ų560%031%0.306CS..Hα-helixtrans-67.7-40178.100000112.9L118 A136 K137 E138 L143 G144 I145 F147L118-A140 HydrophobicContact CD2-CB 4.11Å; A136-A140 WeakPolarHBondContact O-CB 3.18Å; A136-A140 PolarHBondContact O-N 2.97Å; K137-A140 PolarHBondContact O-N 3.3Å; E138-A140 PolarHBondContact O-N 3.34Å; A140-L143 CarbonylContact O-C 3.5Å; A140-L143 WeakPolarHBondContact O-CB 3.27Å; A140-L143 PolarHBondContact O-N 3.4Å; A140-L143 VanDerWaalsContact O-N 3.1Å; A140-G144 PolarHBondContact O-N 3.26Å; A140-I145 CarbonylContact C-O 3.56Å; A140-I145 HydrophobicContact CB-CG1 3.96Å; A140-I145 PolarHBondContact O-N 3.43Å; A140-F147 HydrophobicContact CB-CB 3.57Å; A140-F147 HydrophobicContact CB-CG 4.32Å
141D96.2Very high96.5Very high82 Ų8251 Ų5144%0.43928%0.28SS..Hα-helixtrans-65.5-39.9178.9-72.5-21.4000111.8K137 E138 L143 G144K137-D141 WeakPolarHBondContact CE-OD1 3.43Å; K137-D141 WeakPolarHBondContact CE-OD2 3.4Å; K137-D141 IonicContact NZ-OD1 2.75Å; K137-D141 PolarHBondContact NZ-OD1 2.81Å; K137-D141 IonicContact NZ-OD2 3.42Å; K137-D141 PolarHBondContact NZ-OD2 3.29Å; K137-D141 WeakPolarHBondContact O-CB 3.2Å; K137-D141 VanDerWaalsContact O-CG 3.28Å; K137-D141 PolarHBondContact O-N 2.86Å; E138-D141 PolarHBondContact O-N 2.89Å; D141-L143 PolarHBondContact O-N 3.44Å; D141-G144 PolarHBondContact O-N 3.09Å
142N96.1Very high96.5Very high141 Ų14151 Ų5175%0.75428%0.28SS*.Hα-helixtrans-61.3-26.2173.4-74.8-35.8000113E138E138-N142 WeakPolarHBondContact O-CB 3.34Å; E138-N142 PolarHBondContact O-N 2.99Å; E138-N142 PolarHBondContact O-ND2 3.34Å
143L92.5Very high96.4Very high83 Ų8350.5 Ų50.544%0.43527%0.273SS..THydrogen-bonded Turntrans-92-6.6175.8-63.8171.7000112.9L103 F139 A140 D141 I145L103-L143 HydrophobicContact CD1-CD1 3.4Å; F139-L143 HydrophobicContact CD1-CD1 4.07Å; F139-L143 HydrophobicContact CE1-CD1 3.5Å; F139-L143 VanDerWaalsContact CE1-CD1 3.5Å; F139-L143 HydrophobicContact CE2-CD1 4.07Å; F139-L143 HydrophobicContact CZ-CD1 3.51Å; F139-L143 WeakPolarHBondContact O-CG 3.46Å; F139-L143 PolarHBondContact O-N 3.3Å; A140-L143 CarbonylContact O-C 3.5Å; A140-L143 WeakPolarHBondContact O-CB 3.27Å; A140-L143 PolarHBondContact O-N 3.4Å; A140-L143 VanDerWaalsContact O-N 3.1Å; D141-L143 PolarHBondContact O-N 3.44Å; L143-I145 VanDerWaalsContact C-N 3.28Å; L143-I145 HydrophobicContact CB-CD1 4.36Å; L143-I145 HydrophobicContact CB-CG1 4.13Å; L143-I145 HydrophobicContact CB-CG2 4.37Å; L143-I145 HydrophobicContact CD1-CD1 4.16Å; L143-I145 PolarHBondContact O-N 3.17Å
144G94.1Very high96.3Very high69 Ų6948.7 Ų48.771%0.71128%0.275SS*.THydrogen-bonded Turntrans6627.4-175.300000113.7A140 D141A140-G144 PolarHBondContact O-N 3.26Å; D141-G144 PolarHBondContact O-N 3.09Å
145I95.3Very high96.3Very high16 Ų1646.7 Ų46.78%0.08227%0.268CS..  trans-110.7143.8179.368.3179.1000110.8L103 K116 L118 A140 L143L103-I145 HydrophobicContact CD2-CD1 4.41Å; K116-I145 HydrophobicContact CB-CB 4.42Å; K116-I145 HydrophobicContact CB-CG2 3.8Å; K116-I145 HydrophobicContact CD-CG2 4.39Å; L118-I145 HydrophobicContact CB-CD1 4.03Å; A140-I145 CarbonylContact C-O 3.56Å; A140-I145 HydrophobicContact CB-CG1 3.96Å; A140-I145 PolarHBondContact O-N 3.43Å; L143-I145 VanDerWaalsContact C-N 3.28Å; L143-I145 HydrophobicContact CB-CD1 4.36Å; L143-I145 HydrophobicContact CB-CG1 4.13Å; L143-I145 HydrophobicContact CB-CG2 4.37Å; L143-I145 HydrophobicContact CD1-CD1 4.16Å; L143-I145 PolarHBondContact O-N 3.17Å
146P96.8Very high96.4Very high43 Ų4346.1 Ų46.128%0.27926%0.264SS..  trans-63.9154.8173.4-18.130.7000111.8K116 L117 L118 T164 E168K116-P146 WeakPolarHBondContact O-CD 3.46Å; L117-P146 HydrophobicContact CD1-CB 3.74Å; L118-P146 PolarHBondContact N-O 2.91Å; P146-T164 HydrophobicContact CB-CG2 4.5Å; P146-E168 HydrophobicContact CG-CG 4.41Å
147F98.1Very high96.4Very high10 Ų1048.9 Ų48.94%0.04428%0.279CS..EExtended strand (participates in β ladder)trans-137.8137.6179.6170.2-116.5000111.7Y88 L118 Y133 A136 K137 A140 E149Y88-F147 AromaticContact CE1-CE2 3.9Å; Y88-F147 HydrophobicContact CE1-CE2 3.9Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.18Å; Y88-F147 WeakPolarHBondContact OH-CZ 3.36Å; L118-F147 HydrophobicContact CB-CD2 4.02Å; L118-F147 HydrophobicContact CD2-CD2 3.88Å; L118-F147 HydrophobicContact CD2-CE2 4.37Å; L118-F147 HydrophobicContact CG-CD2 3.82Å; L118-F147 HydrophobicContact CG-CE2 4.34Å; L118-F147 WeakPolarHBondContact O-CA 3.23Å; L118-F147 WeakPolarHBondContact O-CD2 3.28Å; Y133-F147 AromaticContact CD2-CE1 3.62Å; Y133-F147 HydrophobicContact CD2-CE1 3.62Å; Y133-F147 HydrophobicContact CD2-CZ 4.24Å; Y133-F147 HydrophobicContact CE1-CE1 4.48Å; Y133-F147 HydrophobicContact CE2-CD1 4.02Å; Y133-F147 AromaticContact CE2-CE1 3.45Å; Y133-F147 HydrophobicContact CE2-CE1 3.45Å; Y133-F147 VanDerWaalsContact CE2-CE1 3.45Å; Y133-F147 HydrophobicContact CE2-CZ 4.31Å; Y133-F147 HydrophobicContact CG-CE1 4.2Å; Y133-F147 AromaticContact CZ-CE1 3.92Å; A136-F147 HydrophobicContact CB-CE1 3.9Å; A136-F147 HydrophobicContact CB-CE2 3.91Å; A136-F147 HydrophobicContact CB-CZ 3.47Å; A136-F147 VanDerWaalsContact CB-CZ 3.47Å; K137-F147 HydrophobicContact CB-CD1 3.81Å; K137-F147 HydrophobicContact CB-CE1 4.13Å; K137-F147 HydrophobicContact CD-CB 4.27Å; K137-F147 HydrophobicContact CD-CD1 3.94Å; K137-F147 HydrophobicContact CG-CD1 4.46Å; A140-F147 HydrophobicContact CB-CB 3.57Å; A140-F147 HydrophobicContact CB-CG 4.32Å; F147-E149 HydrophobicContact CE1-CG 4.31Å; F147-E149 HydrophobicContact CE2-CG 4.38Å; F147-E149 HydrophobicContact CZ-CG 3.66Å
148L97.9Very high96.4Very high22 Ų2246.1 Ų46.112%0.11527%0.267CS..EExtended strand (participates in β ladder)trans-139.6143.9173.9-67.7166.6000110.1L117 L118 V119 G120 Q160 A161L117-L148 HydrophobicContact CD1-CD1 4.47Å; L118-L148 PolarHBondContact O-N 3.11Å; L118-L148 VanDerWaalsContact O-N 3.09Å; V119-L148 CarbonylContact C-O 3.58Å; V119-L148 VanDerWaalsContact CA-O 3.26Å; V119-L148 WeakPolarHBondContact CA-O 3.31Å; G120-L148 PolarHBondContact N-O 3.1Å; L148-Q160 HydrophobicContact CD1-CG 4.18Å; L148-A161 HydrophobicContact CD1-CB 4.15Å
149E98.2Very high96.4Very high22 Ų2243.9 Ų43.910%0.10326%0.257CS..EExtended strand (participates in β ladder)trans-92.8138.6160.5-75.5-172.8-176.800109.6V90 G120 C123 K129 Y133 F147 N157V90-E149 HydrophobicContact CG1-CG 4.25Å; G120-E149 CarbonylContact O-C 3.52Å; G120-E149 WeakPolarHBondContact O-CA 3.17Å; C123-E149 HydrophobicContact CB-CB 3.93Å; K129-E149 WeakPolarHBondContact CE-OE1 3.31Å; K129-E149 IonicContact NZ-OE1 3.43Å; K129-E149 PolarHBondContact NZ-OE1 2.89Å; K129-E149 IonicContact NZ-OE2 2.76Å; K129-E149 PolarHBondContact NZ-OE2 2.77Å; Y133-E149 HydrophobicContact CD2-CG 3.82Å; Y133-E149 HydrophobicContact CE2-CG 4.25Å; F147-E149 HydrophobicContact CE1-CG 4.31Å; F147-E149 HydrophobicContact CE2-CG 4.38Å; F147-E149 HydrophobicContact CZ-CG 3.66Å; E149-N157 VanDerWaalsContact O-CB 3.24Å; E149-N157 WeakPolarHBondContact O-CB 3.2Å; E149-N157 PolarHBondContact O-ND2 2.92Å
150A98.1Very high96.4Very high0 Ų046.7 Ų46.70%027%0.27CS..  trans-136162.6-177.600000111.9L24 V119 G120 N121 K122 C123 T156 N157L24-A150 HydrophobicContact CD2-CB 4.15Å; V119-A150 HydrophobicContact CG1-CB 3.83Å; G120-A150 PolarHBondContact O-N 3.44Å; N121-A150 CarbonylContact C-O 3.47Å; N121-A150 VanDerWaalsContact C-O 3.29Å; N121-A150 VanDerWaalsContact CA-O 3.23Å; N121-A150 WeakPolarHBondContact CA-O 3.42Å; N121-A150 PolarHBondContact OD1-O 3.21Å; K122-A150 PolarHBondContact N-O 3.14Å; C123-A150 PolarHBondContact N-O 2.9Å; C123-A150 VanDerWaalsContact N-O 3.12Å; C123-A150 PolarHBondContact SG-O 3.02Å; C123-A150 VanDerWaalsContact SG-O 3.38Å; A150-T156 CarbonylContact C-O 3.29Å; A150-T156 WeakPolarHBondContact CA-O 3.33Å; A150-T156 WeakPolarHBondContact CB-O 3.5Å; A150-N157 HydrophobicContact CB-CB 4.26Å
151S97.6Very high96.4Very high0 Ų046.9 Ų46.90%027%0.272CS..  trans-136.7114.5168.2175.10000110D124 K153 S154 A155 T156 V158D124-S151 VanDerWaalsContact CG-OG 3.25Å; D124-S151 VanDerWaalsContact OD1-CB 3.26Å; D124-S151 WeakPolarHBondContact OD1-CB 3.49Å; D124-S151 PolarHBondContact OD1-OG 3.21Å; S151-K153 PolarHBondContact O-N 2.9Å; S151-K153 PolarHBondContact OG-N 3.3Å; S151-K153 VanDerWaalsContact OG-N 3.16Å; S151-S154 VanDerWaalsContact CB-OG 3.24Å; S151-S154 WeakPolarHBondContact CB-OG 3.29Å; S151-S154 PolarHBondContact OG-N 3.28Å; S151-S154 VanDerWaalsContact OG-N 3.14Å; S151-S154 PolarHBondContact OG-OG 3.4Å; S151-A155 CarbonylContact O-C 3.6Å; S151-A155 WeakPolarHBondContact O-CA 3.41Å; S151-A155 PolarHBondContact O-N 2.96Å; S151-T156 PolarHBondContact N-O 2.78Å; S151-T156 PolarHBondContact O-N 3.49Å; S151-V158 VanDerWaalsContact O-CG2 3.29Å; S151-V158 WeakPolarHBondContact O-CG2 3.28Å
152A95.2Very high96.5Very high3 Ų343.1 Ų43.13%0.02525%0.252CS..THydrogen-bonded Turntrans-60.4-27.8168.600000112.6C23 L24 R27 Y33 N121C23-A152 HydrophobicContact CB-CB 3.57Å; L24-A152 HydrophobicContact CD2-CB 4.06Å; L24-A152 HydrophobicContact CG-CB 4.29Å; R27-A152 HydrophobicContact CB-CB 4.47Å; R27-A152 PolarHBondContact NE-O 2.81Å; Y33-A152 HydrophobicContact CD2-CB 4.17Å; Y33-A152 HydrophobicContact CE2-CB 4.33Å; N121-A152 PolarHBondContact OD1-N 2.71Å
153K94.8Very high96.5Very high89 Ų8938.8 Ų38.839%0.38723%0.228SC..THydrogen-bonded Turntrans-70.9-54.6-178.6-176170.2-170.3156.70111.3R27 Y33 E35 S151R27-K153 PolarHBondContact NH2-O 2.94Å; Y33-K153 HydrophobicContact CD1-CG 4.29Å; Y33-K153 HydrophobicContact CD2-CB 4.47Å; Y33-K153 HydrophobicContact CE1-CB 4.06Å; Y33-K153 HydrophobicContact CE1-CD 4.21Å; Y33-K153 HydrophobicContact CE1-CG 3.77Å; Y33-K153 HydrophobicContact CE2-CB 4.01Å; E35-K153 IonicContact OE1-NZ 2.76Å; E35-K153 PolarHBondContact OE1-NZ 3.45Å; S151-K153 PolarHBondContact O-N 2.9Å; S151-K153 PolarHBondContact OG-N 3.3Å; S151-K153 VanDerWaalsContact OG-N 3.16Å
154S94.6Very high96.7Very high64 Ų6436.6 Ų36.645%0.44822%0.218SC..THydrogen-bonded Turntrans-92.44.2-179.162.90000114.2S151 T156S151-S154 VanDerWaalsContact CB-OG 3.24Å; S151-S154 WeakPolarHBondContact CB-OG 3.29Å; S151-S154 PolarHBondContact OG-N 3.28Å; S151-S154 VanDerWaalsContact OG-N 3.14Å; S151-S154 PolarHBondContact OG-OG 3.4Å; S154-T156 PolarHBondContact O-N 3.01Å; S154-T156 VanDerWaalsContact O-N 3.11Å; S154-T156 PolarHBondContact OG-OG1 2.8Å
155A95.5Very high96.8Very high43 Ų4333.5 Ų33.536%0.35519%0.185SC..  trans61.56.9-172.800000115.3R27 S151 N157 V158R27-A155 HydrophobicContact CG-CB 4.23Å; S151-A155 CarbonylContact O-C 3.6Å; S151-A155 WeakPolarHBondContact O-CA 3.41Å; S151-A155 PolarHBondContact O-N 2.96Å; A155-N157 PolarHBondContact O-N 3.29Å; A155-V158 PolarHBondContact O-N 3.15Å
156T97.9Very high96.9Very high60 Ų6032.7 Ų32.737%0.36818%0.181SC..THydrogen-bonded Turntrans-56.9123.1180-56.20000110.4A150 S151 S154 V158A150-T156 CarbonylContact C-O 3.29Å; A150-T156 WeakPolarHBondContact CA-O 3.33Å; A150-T156 WeakPolarHBondContact CB-O 3.5Å; S151-T156 PolarHBondContact N-O 2.78Å; S151-T156 PolarHBondContact O-N 3.49Å; S154-T156 PolarHBondContact O-N 3.01Å; S154-T156 VanDerWaalsContact O-N 3.11Å; S154-T156 PolarHBondContact OG-OG1 2.8Å; T156-V158 PolarHBondContact O-N 3.38Å
157N97.5Very high96.8Very high58 Ų5832.4 Ų32.431%0.3118%0.182SC..THydrogen-bonded Turntrans54.812.2178-62.2-21.3000116.4E149 A150 A155 Q160 A161E149-N157 VanDerWaalsContact O-CB 3.24Å; E149-N157 WeakPolarHBondContact O-CB 3.2Å; E149-N157 PolarHBondContact O-ND2 2.92Å; A150-N157 HydrophobicContact CB-CB 4.26Å; A155-N157 PolarHBondContact O-N 3.29Å; N157-Q160 HydrophobicContact CB-CB 4.42Å; N157-Q160 PolarHBondContact O-N 2.54Å; N157-Q160 PolarHBondContact OD1-OE1 3.05Å; N157-A161 WeakPolarHBondContact O-CB 3.39Å; N157-A161 PolarHBondContact O-N 3.06Å
158V97.4Very high96.7Very high4 Ų435.1 Ų35.12%0.02420%0.195CC..Hα-helixtrans-65.8-53.9179.4179.60000110.2L24 R27 F28 S151 A155 T156 Q160 A161 F162L24-V158 HydrophobicContact CD2-CB 4.49Å; L24-V158 HydrophobicContact CD2-CG1 4.24Å; L24-V158 HydrophobicContact CD2-CG2 3.74Å; R27-V158 HydrophobicContact CB-CG1 4.17Å; R27-V158 HydrophobicContact CG-CB 4.15Å; R27-V158 HydrophobicContact CG-CG1 3.88Å; R27-V158 HydrophobicContact CG-CG2 3.99Å; F28-V158 HydrophobicContact CB-CG1 3.97Å; S151-V158 VanDerWaalsContact O-CG2 3.29Å; S151-V158 WeakPolarHBondContact O-CG2 3.28Å; A155-V158 PolarHBondContact O-N 3.15Å; T156-V158 PolarHBondContact O-N 3.38Å; V158-Q160 VanDerWaalsContact C-N 3.29Å; V158-Q160 PolarHBondContact O-N 2.88Å; V158-A161 PolarHBondContact O-N 2.83Å; V158-F162 HydrophobicContact CG1-CD2 4.48Å; V158-F162 HydrophobicContact CG1-CE2 4.23Å; V158-F162 VanDerWaalsContact O-CD2 3.29Å; V158-F162 WeakPolarHBondContact O-CD2 3.45Å
159E96.5Very high96.5Very high76 Ų7634.1 Ų34.136%0.35519%0.189SC..Hα-helixtrans-56.8-46.1175.2-168.769.9-171.400111F28 R48 A161 F162 M163F28-E159 VanDerWaalsContact CD2-OE2 3.28Å; F28-E159 WeakPolarHBondContact CD2-OE2 3.27Å; F28-E159 VanDerWaalsContact CE2-OE2 3.23Å; F28-E159 WeakPolarHBondContact CE2-OE2 3.36Å; R48-E159 IonicContact CZ-OE1 2.85Å; R48-E159 IonicContact CZ-OE2 3.54Å; R48-E159 IonicContact NH1-OE1 2.77Å; R48-E159 IonicContact NH1-OE2 3.54Å; R48-E159 PolarHBondContact NH1-OE2 3.43Å; R48-E159 IonicContact NH2-OE1 3.79Å; R48-E159 PolarHBondContact NH2-OE1 2.9Å; R48-E159 IonicContact NH2-OE2 2.81Å; R48-E159 PolarHBondContact NH2-OE2 2.84Å; E159-A161 VanDerWaalsContact C-N 3.3Å; E159-A161 PolarHBondContact O-N 2.92Å; E159-F162 PolarHBondContact O-N 2.85Å; E159-M163 HydrophobicContact CG-CG 4.07Å; E159-M163 WeakPolarHBondContact O-CB 3.24Å; E159-M163 WeakPolarHBondContact O-CG 3.24Å; E159-M163 PolarHBondContact O-N 2.87Å
160Q97.2Very high96.3Very high95 Ų9534.5 Ų34.544%0.44419%0.191SC..Hα-helixtrans-60.1-37.6-178.1-174.1175.5-20.700112.4L148 N157 V158 T164L148-Q160 HydrophobicContact CD1-CG 4.18Å; N157-Q160 HydrophobicContact CB-CB 4.42Å; N157-Q160 PolarHBondContact O-N 2.54Å; N157-Q160 PolarHBondContact OD1-OE1 3.05Å; V158-Q160 VanDerWaalsContact C-N 3.29Å; V158-Q160 PolarHBondContact O-N 2.88Å; Q160-T164 WeakPolarHBondContact O-CB 3.48Å; Q160-T164 PolarHBondContact O-N 3.24Å; Q160-T164 PolarHBondContact O-OG1 3.28Å
161A97.7Very high96Very high4 Ų442.1 Ų42.13%0.03322%0.224CC..Hα-helixtrans-62-48.6178.600000112.1L117 V119 L148 N157 V158 E159 T164 M165L117-A161 HydrophobicContact CD2-CB 4.17Å; L117-A161 VanDerWaalsContact CD2-O 3.26Å; L117-A161 WeakPolarHBondContact CD2-O 3.19Å; V119-A161 HydrophobicContact CG2-CB 4.17Å; L148-A161 HydrophobicContact CD1-CB 4.15Å; N157-A161 WeakPolarHBondContact O-CB 3.39Å; N157-A161 PolarHBondContact O-N 3.06Å; V158-A161 PolarHBondContact O-N 2.83Å; E159-A161 VanDerWaalsContact C-N 3.3Å; E159-A161 PolarHBondContact O-N 2.92Å; A161-T164 PolarHBondContact O-N 3.16Å; A161-M165 PolarHBondContact O-N 2.83Å; A161-M165 VanDerWaalsContact O-N 3.09Å
162F97.6Very high95.6Very high4 Ų446.5 Ų46.52%0.01824%0.24CC..Hα-helixtrans-70.5-38179.3-69.5-80000112.3L11 L13 F28 I61 I85 V158 E159 M165 A166L11-F162 HydrophobicContact CD1-CD1 4.11Å; L13-F162 HydrophobicContact CD1-CZ 4.34Å; L13-F162 HydrophobicContact CD2-CE1 3.96Å; L13-F162 HydrophobicContact CD2-CZ 4.11Å; F28-F162 HydrophobicContact CB-CD2 3.66Å; F28-F162 HydrophobicContact CB-CE2 3.49Å; F28-F162 VanDerWaalsContact CB-CE2 3.49Å; F28-F162 HydrophobicContact CB-CZ 4.23Å; F28-F162 HydrophobicContact CD1-CB 4.37Å; F28-F162 HydrophobicContact CD1-CD1 4.19Å; F28-F162 AromaticContact CD1-CD2 3.86Å; F28-F162 HydrophobicContact CD1-CD2 3.86Å; F28-F162 HydrophobicContact CD1-CE1 4.48Å; F28-F162 HydrophobicContact CD1-CE2 4.18Å; F28-F162 AromaticContact CD1-CG 3.88Å; F28-F162 HydrophobicContact CD1-CG 3.88Å; F28-F162 HydrophobicContact CD1-CZ 4.47Å; F28-F162 HydrophobicContact CD2-CB 3.84Å; F28-F162 AromaticContact CD2-CD2 3.35Å; F28-F162 HydrophobicContact CD2-CD2 3.35Å; F28-F162 HydrophobicContact CD2-CE2 4.13Å; F28-F162 AromaticContact CD2-CG 3.78Å; F28-F162 HydrophobicContact CD2-CG 3.78Å; F28-F162 HydrophobicContact CE1-CB 4Å; F28-F162 HydrophobicContact CE1-CD1 4.27Å; F28-F162 HydrophobicContact CE1-CD2 4.36Å; F28-F162 AromaticContact CE1-CG 3.96Å; F28-F162 HydrophobicContact CE1-CG 3.96Å; F28-F162 HydrophobicContact CE2-CB 3.42Å; F28-F162 VanDerWaalsContact CE2-CB 3.42Å; F28-F162 AromaticContact CE2-CD2 3.92Å; F28-F162 HydrophobicContact CE2-CD2 3.92Å; F28-F162 AromaticContact CE2-CG 3.86Å; F28-F162 HydrophobicContact CE2-CG 3.86Å; F28-F162 HydrophobicContact CG-CB 4.3Å; F28-F162 HydrophobicContact CG-CD1 4.48Å; F28-F162 AromaticContact CG-CD2 3.33Å; F28-F162 HydrophobicContact CG-CD2 3.33Å; F28-F162 AromaticContact CG-CE2 3.68Å; F28-F162 HydrophobicContact CG-CE2 3.68Å; F28-F162 AromaticContact CG-CG 3.79Å; F28-F162 HydrophobicContact CG-CG 3.79Å; F28-F162 HydrophobicContact CG-CZ 4.38Å; F28-F162 HydrophobicContact CZ-CB 3.52Å; F28-F162 HydrophobicContact CZ-CD2 4.39Å; F28-F162 AromaticContact CZ-CG 3.96Å; F28-F162 HydrophobicContact CZ-CG 3.96Å; I61-F162 HydrophobicContact CD1-CD1 3.86Å; I61-F162 HydrophobicContact CD1-CE1 3.83Å; I61-F162 HydrophobicContact CG2-CE1 3.98Å; I85-F162 HydrophobicContact CD1-CD1 3.84Å; I85-F162 HydrophobicContact CD1-CE1 3.81Å; V158-F162 HydrophobicContact CG1-CD2 4.48Å; V158-F162 HydrophobicContact CG1-CE2 4.23Å; V158-F162 VanDerWaalsContact O-CD2 3.29Å; V158-F162 WeakPolarHBondContact O-CD2 3.45Å; E159-F162 PolarHBondContact O-N 2.85Å; F162-M165 PolarHBondContact O-N 2.82Å; F162-A166 WeakPolarHBondContact O-CB 3.4Å; F162-A166 PolarHBondContact O-N 2.86Å
163M96.8Very high95.1Very high50 Ų5048.6 Ų48.625%0.24625%0.25CS..Hα-helixtrans-65-41.4175.5-67.3-64.1-82.100111.9I50 L52 E159 A166 A167I50-M163 HydrophobicContact CB-SD 4.17Å; I50-M163 HydrophobicContact CD1-SD 3.46Å; I50-M163 WeakPolarHBondContact CD1-SD 3.43Å; I50-M163 HydrophobicContact CG1-SD 4.38Å; I50-M163 HydrophobicContact CG2-SD 4.3Å; L52-M163 HydrophobicContact CD1-CE 3.73Å; L52-M163 HydrophobicContact CD1-SD 4.32Å; E159-M163 HydrophobicContact CG-CG 4.07Å; E159-M163 WeakPolarHBondContact O-CB 3.24Å; E159-M163 WeakPolarHBondContact O-CG 3.24Å; E159-M163 PolarHBondContact O-N 2.87Å; M163-A166 PolarHBondContact O-N 3.3Å; M163-A167 WeakPolarHBondContact O-CB 3.38Å; M163-A167 PolarHBondContact O-N 3.35Å
164T96.3Very high94Very high37 Ų3745.6 Ų45.623%0.22724%0.244CC..Hα-helixtrans-61-47.2175.4-59.50000110.6P146 Q160 A161 A166 A167 E168P146-T164 HydrophobicContact CB-CG2 4.5Å; Q160-T164 WeakPolarHBondContact O-CB 3.48Å; Q160-T164 PolarHBondContact O-N 3.24Å; Q160-T164 PolarHBondContact O-OG1 3.28Å; A161-T164 PolarHBondContact O-N 3.16Å; T164-A166 PolarHBondContact O-N 2.85Å; T164-A167 PolarHBondContact O-N 2.81Å; T164-E168 WeakPolarHBondContact O-CG 3.26Å; T164-E168 PolarHBondContact O-N 3.06Å
165M97.1Very high92.3Very high3 Ų348.7 Ų48.72%0.01526%0.263CS..Hα-helixtrans-60.3-45.7176.5178.856.678.800111.8L11 I84 I85 N115 L117 A161 F162 A167 E168 I169L11-M165 HydrophobicContact CD1-CG 4.14Å; L11-M165 HydrophobicContact CD2-CG 3.64Å; I84-M165 WeakPolarHBondContact O-CE 3.44Å; I85-M165 HydrophobicContact CD1-CB 4.33Å; I85-M165 HydrophobicContact CD1-CG 4.49Å; I85-M165 HydrophobicContact CG1-CE 3.73Å; I85-M165 HydrophobicContact CG1-CG 4.35Å; N115-M165 HydrophobicContact CB-SD 3.71Å; L117-M165 HydrophobicContact CB-CE 3.37Å; L117-M165 HydrophobicContact CD2-CB 4.34Å; A161-M165 PolarHBondContact O-N 2.83Å; A161-M165 VanDerWaalsContact O-N 3.09Å; F162-M165 PolarHBondContact O-N 2.82Å; M165-A167 VanDerWaalsContact C-N 3.34Å; M165-A167 PolarHBondContact O-N 2.82Å; M165-E168 PolarHBondContact O-N 2.76Å; M165-I169 HydrophobicContact CG-CD1 3.83Å; M165-I169 WeakPolarHBondContact O-CD1 3.39Å; M165-I169 VanDerWaalsContact O-CG1 3.25Å; M165-I169 WeakPolarHBondContact O-CG1 3.48Å; M165-I169 PolarHBondContact O-N 3.29Å; M165-I169 HydrophobicContact SD-CD1 3.83Å; M165-I169 HydrophobicContact SD-CG1 4.05Å
166A96.5Very high90.2Very high0 Ų050 Ų500%028%0.281CS..Hα-helixtrans-62.1-41.6178.200000112.2F9 I50 L59 F162 M163 T164 I169 K170F9-A166 HydrophobicContact CD2-CB 4.36Å; F9-A166 WeakPolarHBondContact CE2-O 3.41Å; I50-A166 HydrophobicContact CD1-CB 3.75Å; L59-A166 HydrophobicContact CD2-CB 4.17Å; F162-A166 WeakPolarHBondContact O-CB 3.4Å; F162-A166 PolarHBondContact O-N 2.86Å; M163-A166 PolarHBondContact O-N 3.3Å; T164-A166 PolarHBondContact O-N 2.85Å; A166-I169 PolarHBondContact O-N 2.65Å; A166-K170 WeakPolarHBondContact O-CB 3.32Å; A166-K170 PolarHBondContact O-N 2.77Å
167A95.4Very high88.1Confident36 Ų3649 Ų4930%0.29828%0.279SS..Hα-helixtrans-62.9-45.6176.300000112L52 M163 T164 M165 I169 K170 K171L52-A167 HydrophobicContact CD1-CB 4.24Å; L52-A167 HydrophobicContact CD2-CB 4.14Å; M163-A167 WeakPolarHBondContact O-CB 3.38Å; M163-A167 PolarHBondContact O-N 3.35Å; T164-A167 PolarHBondContact O-N 2.81Å; M165-A167 VanDerWaalsContact C-N 3.34Å; M165-A167 PolarHBondContact O-N 2.82Å; A167-I169 PolarHBondContact O-N 2.81Å; A167-K170 PolarHBondContact O-N 2.92Å; A167-K171 VanDerWaalsContact O-CB 3.31Å; A167-K171 WeakPolarHBondContact O-CB 3.28Å; A167-K171 PolarHBondContact O-N 2.89Å
168E94.4Very high85.6Confident68 Ų6850.3 Ų50.332%0.31829%0.289SS..Hα-helixtrans-62.5-41.2178.1-75.2-59139.300112.3N115 P146 T164 M165 R172N115-E168 PolarHBondContact ND2-O 3.46Å; P146-E168 HydrophobicContact CG-CG 4.41Å; T164-E168 WeakPolarHBondContact O-CG 3.26Å; T164-E168 PolarHBondContact O-N 3.06Å; M165-E168 PolarHBondContact O-N 2.76Å; E168-R172 WeakPolarHBondContact O-CB 3.49Å; E168-R172 PolarHBondContact O-N 3.28Å
169I95Very high83.3Confident0 Ų053.5 Ų53.50%032%0.316CS..Hα-helixtrans-65-46.3175-67.2165000111.1F9 L11 H82 N115 M165 A166 A167 R172 M173F9-I169 HydrophobicContact CB-CD1 4.44Å; F9-I169 HydrophobicContact CD1-CG2 3.78Å; F9-I169 HydrophobicContact CD2-CB 4.07Å; F9-I169 HydrophobicContact CD2-CD1 4.31Å; F9-I169 HydrophobicContact CD2-CG2 3.77Å; F9-I169 HydrophobicContact CE1-CG2 3.83Å; F9-I169 HydrophobicContact CE2-CB 4.02Å; F9-I169 HydrophobicContact CE2-CG2 3.77Å; F9-I169 HydrophobicContact CG-CD1 4.5Å; F9-I169 HydrophobicContact CG-CG2 3.79Å; F9-I169 HydrophobicContact CZ-CB 4.46Å; F9-I169 HydrophobicContact CZ-CG2 3.81Å; L11-I169 HydrophobicContact CD2-CD1 3.32Å; H82-I169 HydrophobicContact CB-CD1 3.98Å; H82-I169 HydrophobicContact CB-CG1 4.39Å; H82-I169 HydrophobicContact CB-CG2 3.92Å; N115-I169 HydrophobicContact CB-CG1 3.84Å; N115-I169 WeakPolarHBondContact OD1-CA 3.37Å; N115-I169 WeakPolarHBondContact OD1-CG1 3.41Å; M165-I169 HydrophobicContact CG-CD1 3.83Å; M165-I169 WeakPolarHBondContact O-CD1 3.39Å; M165-I169 VanDerWaalsContact O-CG1 3.25Å; M165-I169 WeakPolarHBondContact O-CG1 3.48Å; M165-I169 PolarHBondContact O-N 3.29Å; M165-I169 HydrophobicContact SD-CD1 3.83Å; M165-I169 HydrophobicContact SD-CG1 4.05Å; A166-I169 PolarHBondContact O-N 2.65Å; A167-I169 PolarHBondContact O-N 2.81Å; I169-R172 PolarHBondContact O-N 3.24Å; I169-M173 HydrophobicContact CG2-CE 3.37Å; I169-M173 WeakPolarHBondContact O-CG 3.43Å; I169-M173 PolarHBondContact O-N 2.75Å
170K93.4Very high80.9Confident31 Ų3153.2 Ų53.214%0.13533%0.333CS..Hα-helixtrans-61.1-45.4179.2-177.1-172.3176.6-173.50111F9 L52 D53 I57 A166 A167 R172 M173 G174F9-K170 HydrophobicContact CE2-CB 4.18Å; F9-K170 HydrophobicContact CZ-CB 4.05Å; L52-K170 HydrophobicContact CD2-CD 3.49Å; L52-K170 VanDerWaalsContact CD2-CD 3.49Å; L52-K170 PolarHBondContact O-NZ 2.88Å; D53-K170 VanDerWaalsContact CB-NZ 3.29Å; D53-K170 IonicContact OD2-NZ 2.71Å; D53-K170 PolarHBondContact OD2-NZ 3.49Å; I57-K170 HydrophobicContact CD1-CD 4.24Å; A166-K170 WeakPolarHBondContact O-CB 3.32Å; A166-K170 PolarHBondContact O-N 2.77Å; A167-K170 PolarHBondContact O-N 2.92Å; K170-R172 VanDerWaalsContact C-N 3.33Å; K170-R172 PolarHBondContact O-N 2.95Å; K170-M173 PolarHBondContact O-N 3.32Å; K170-G174 PolarHBondContact O-N 3.37Å; K170-G174 VanDerWaalsContact O-N 3.13Å
171K91.5Very high78.2Confident160 Ų16052.4 Ų52.470%0.69635%0.35SS*.Hα-helixtrans-58.4-44176.7-177.4-178.3175.7-1730111.6A167A167-K171 VanDerWaalsContact O-CB 3.31Å; A167-K171 WeakPolarHBondContact O-CB 3.28Å; A167-K171 PolarHBondContact O-N 2.89Å
172R89.9Confident75.5Confident91 Ų9157 Ų5734%0.34338%0.382SS..Hα-helixtrans-63.7-42.3176.5-174.4-162.869.6-159.4-9.5112.3H82 N113 N115 E168 I169 K170 G174H82-R172 PolarHBondContact O-NH1 2.84Å; N113-R172 VanDerWaalsContact O-CD 3.29Å; N113-R172 WeakPolarHBondContact O-CD 3.27Å; N113-R172 PolarHBondContact O-NH1 2.87Å; N115-R172 WeakPolarHBondContact OD1-CD 3.28Å; N115-R172 PolarHBondContact OD1-NE 3.37Å; N115-R172 PolarHBondContact OD1-NH1 3.28Å; E168-R172 WeakPolarHBondContact O-CB 3.49Å; E168-R172 PolarHBondContact O-N 3.28Å; I169-R172 PolarHBondContact O-N 3.24Å; K170-R172 VanDerWaalsContact C-N 3.33Å; K170-R172 PolarHBondContact O-N 2.95Å; R172-G174 VanDerWaalsContact C-N 3.28Å; R172-G174 PolarHBondContact O-N 2.95Å
173M83.6Confident72.8Confident48 Ų4865.9 Ų65.924%0.23642%0.424CS..Hα-helixtrans-75.4-16.8-175.5-73.9-147.7-93.600113.8F9 I169 K170 A177F9-M173 HydrophobicContact CD1-CE 3.35Å; F9-M173 HydrophobicContact CE1-CE 3.02Å; F9-M173 HydrophobicContact CG-CE 4.47Å; F9-M173 HydrophobicContact CZ-CE 3.89Å; I169-M173 HydrophobicContact CG2-CE 3.37Å; I169-M173 WeakPolarHBondContact O-CG 3.43Å; I169-M173 PolarHBondContact O-N 2.75Å; K170-M173 PolarHBondContact O-N 3.32Å; M173-A177 HydrophobicContact CB-CB 3.77Å; M173-A177 HydrophobicContact CG-CB 4.46Å; M173-A177 VanDerWaalsContact O-CB 3.3Å; M173-A177 WeakPolarHBondContact O-CB 3.46Å; M173-A177 HydrophobicContact SD-CB 4.24Å
174G71.4Confident70.2Confident25 Ų2571.8 Ų71.826%0.25845%0.448SS..  trans63.9176.4175.200000113.7K170 R172 G176K170-G174 PolarHBondContact O-N 3.37Å; K170-G174 VanDerWaalsContact O-N 3.13Å; R172-G174 VanDerWaalsContact C-N 3.28Å; R172-G174 PolarHBondContact O-N 2.95Å; G174-G176 PolarHBondContact O-N 2.79Å; G174-G176 VanDerWaalsContact O-N 3.08Å
175P60Low67.4Low129 Ų12975 Ų7584%0.83847%0.472SS*.THydrogen-bonded Turntrans-65.7-10.2-177.8-18.930.7000115.1
176G51.7Low64.7Low71 Ų7182.3 Ų82.373%0.73251%0.511SS*.THydrogen-bonded Turntrans-100.4-5.8-170.900000115.9G174 T178G174-G176 PolarHBondContact O-N 2.79Å; G174-G176 VanDerWaalsContact O-N 3.08Å; G176-T178 VanDerWaalsContact C-N 3.29Å; G176-T178 PolarHBondContact O-N 2.99Å
177A53.3Low62.3Low40 Ų4088.2 Ų88.233%0.33155%0.547SS..  trans-93.846.4179.500000111.9Y7 M173Y7-A177 WeakPolarHBondContact CE1-O 3.35Å; M173-A177 HydrophobicContact CB-CB 3.77Å; M173-A177 HydrophobicContact CG-CB 4.46Å; M173-A177 VanDerWaalsContact O-CB 3.3Å; M173-A177 WeakPolarHBondContact O-CB 3.46Å; M173-A177 HydrophobicContact SD-CB 4.24Å
178T44.8Very low59.8Low84 Ų8495.6 Ų95.652%0.51557%0.572SS.*  trans-80.2123.4173.247.10000110.2G176 G180G176-T178 VanDerWaalsContact C-N 3.29Å; G176-T178 PolarHBondContact O-N 2.99Å; T178-G180 PolarHBondContact O-N 2.94Å
179A50Low57.6Low72 Ų7299.5 Ų99.560%0.59559%0.594SS**SBendtrans32.775.5158.900000116.8
180G44.3Very low55.3Low70 Ų70107.5 Ų107.572%0.72263%0.631SS**  trans-16131.317400000113.2T178 S182T178-G180 PolarHBondContact O-N 2.94Å; G180-S182 PolarHBondContact O-N 2.74Å
181G41Very low53.1Low77 Ų77111 Ų11179%0.79466%0.66SS**  trans-64.793.8165.600000107.6E183G181-E183 PolarHBondContact O-N 3.41Å
182S40.9Very low51.4Low102 Ų102109 Ų10971%0.71366%0.661SS**  trans-34.4108.7171.443.80000109.4G180 K184G180-S182 PolarHBondContact O-N 2.74Å; S182-K184 PolarHBondContact O-N 3.06Å
183E42.1Very low49.6Very low189 Ų189110.4 Ų110.488%0.88368%0.682SS**  trans-51.999.8160.6-74.7-175.2149.700105.4G181 S185G181-E183 PolarHBondContact O-N 3.41Å; E183-S185 VanDerWaalsContact C-N 3.28Å; E183-S185 PolarHBondContact O-N 2.98Å
184K41.2Very low48Very low174 Ų174114.5 Ų114.576%0.75771%0.709SS**  trans-59.3110.2156-76.8-171.6176.7-174.20103.6S182 N186S182-K184 PolarHBondContact O-N 3.06Å; K184-N186 VanDerWaalsContact C-N 3.26Å; K184-N186 PolarHBondContact O-N 2.66Å
185S38.7Very low47Very low105 Ų105122.5 Ų122.573%0.73474%0.737SS**  trans-4692.4173.232.30000109E183 V187E183-S185 VanDerWaalsContact C-N 3.28Å; E183-S185 PolarHBondContact O-N 2.98Å; S185-V187 VanDerWaalsContact C-N 3.28Å; S185-V187 PolarHBondContact O-N 2.93Å
186N39.8Very low46.4Very low157 Ų157123.1 Ų123.184%0.8474%0.739SS**  trans-64.5102.7161-96-13.6000104.4K184 K188K184-N186 VanDerWaalsContact C-N 3.26Å; K184-N186 PolarHBondContact O-N 2.66Å; N186-K188 PolarHBondContact O-N 2.89Å
187V45.7Very low46.1Very low123 Ų123125 Ų12575%0.74574%0.741SS**  trans-52107.7170.4176.50000106.2S185 I189S185-V187 VanDerWaalsContact C-N 3.28Å; S185-V187 PolarHBondContact O-N 2.93Å; V187-I189 VanDerWaalsContact C-N 3.26Å; V187-I189 HydrophobicContact CG1-CG1 4.27Å; V187-I189 PolarHBondContact O-N 2.87Å
188K44Very low45.9Very low192 Ų192129 Ų12984%0.83577%0.766SS**  trans-63.196.6165.8-89-178.5175.6176.20105.9N186 Q190N186-K188 PolarHBondContact O-N 2.89Å; K188-Q190 PolarHBondContact O-N 2.87Å
189I46.6Very low45.9Very low150 Ų150128.8 Ų128.877%0.76978%0.781SS**  trans-68.290.5167.3-58.2175.4000105.7V187 S191V187-I189 VanDerWaalsContact C-N 3.26Å; V187-I189 HydrophobicContact CG1-CG1 4.27Å; V187-I189 PolarHBondContact O-N 2.87Å; I189-S191 PolarHBondContact O-N 3.15Å; I189-S191 VanDerWaalsContact O-N 3.15Å
190Q46.4Very low45.6Very low167 Ų167129.2 Ų129.278%0.7879%0.792SS**  trans-71.899.2161.7-83.9-176.7-9.100106.6K188 T192K188-Q190 PolarHBondContact O-N 2.87Å; Q190-T192 VanDerWaalsContact C-N 3.35Å; Q190-T192 PolarHBondContact O-N 3Å
191S48.5Very low45.6Very low106 Ų106132.1 Ų132.174%0.74180%0.8SS**  trans-67.895.3166.354.80000108.5I189I189-S191 PolarHBondContact O-N 3.15Å; I189-S191 VanDerWaalsContact O-N 3.15Å
192T55.1Low45.5Very low117 Ų117138.2 Ų138.272%0.71883%0.828SS**  trans-72.5128159.942.60000108.3Q190 V194Q190-T192 VanDerWaalsContact C-N 3.35Å; Q190-T192 PolarHBondContact O-N 3Å; T192-V194 PolarHBondContact O-N 3.1Å
193P51.5Low45.7Very low120 Ų120140.1 Ų140.178%0.77983%0.834SS**  trans-62.5129.7175.624.9-31.5000109.4K195P193-K195 PolarHBondContact O-N 3.32Å; P193-K195 VanDerWaalsContact O-N 3.1Å
194V51Low45.9Very low135 Ų135137.5 Ų137.582%0.81883%0.831SS**  trans-59.4113.9176175.80000107.9T192 T196T192-V194 PolarHBondContact O-N 3.1Å; V194-T196 PolarHBondContact O-N 2.96Å
195K50.9Low46.2Very low193 Ų193135.4 Ų135.484%0.83984%0.835SS**  trans-66.9116.6166.8-73.2-174.8178.6-178.80107.4P193 S197P193-K195 PolarHBondContact O-N 3.32Å; P193-K195 VanDerWaalsContact O-N 3.1Å; K195-S197 PolarHBondContact O-N 3.22Å
196T46.6Very low46.6Very low142 Ų142137.2 Ų137.287%0.87184%0.841SS**  trans-65.192.917035.90000109.3V194V194-T196 PolarHBondContact O-N 2.96Å
197S45.8Very low47Very low111 Ų111136 Ų13678%0.77684%0.841SS**  trans-86.8115163.555.60000108.9K195 G199K195-S197 PolarHBondContact O-N 3.22Å; S197-G199 PolarHBondContact O-N 3.5Å
198S48.8Very low47.1Very low122 Ų122136.9 Ų136.985%0.85385%0.848SS**  trans-56.9125.9168.749.70000112.2
199G45Very low47.3Very low81 Ų81132.9 Ų132.984%0.83585%0.849SS**  trans107.6124.8149.800000117S197S197-G199 PolarHBondContact O-N 3.5Å
200G44.9Very low47.4Very low80 Ų80131.6 Ų131.683%0.82586%0.855SS**  trans136.3101154.600000115
201C42.8Very low47.5Very low131 Ų131128.7 Ų128.789%0.88586%0.861SS**  trans-61.4143.1163.9-75.70000111.8
202C39Very low47.4Very low206 Ų206130.7 Ų130.7100%1.39287%0.872SS**  -176.50124.2-92.40000108.6

Retrieved 202 of 202 residues in 1184.8 ms (Link to these results)

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