A0A093I8N4_STRCA Loading...

Small ribosomal subunit protein uS12

AlphaFold DB , UniProt , Accession A0A093I8N4, Species STRCA (Struthio camelus australis), Gene n/a, Length 88 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
1G79.4Confident88.9Confident87 Ų8795 Ų9590%0.89756%0.562SS**  0154.5000000108.8R12G1-R12 WeakPolarHBondContact CA-O 3.44Å
2V86.6Confident89.1Confident35 Ų3594.2 Ų94.221%0.21254%0.542CS..EExtended strand (participates in β ladder)trans-119.1129.8176.71790000107.8R12 C14 I60 P61V2-R12 PolarHBondContact N-O 3.44Å; V2-R12 PolarHBondContact O-N 2.98Å; V2-C14 HydrophobicContact CG2-CB 3.87Å; V2-I60 HydrophobicContact CB-CG2 4.4Å; V2-I60 HydrophobicContact CG1-CG2 4.04Å; V2-P61 HydrophobicContact CG1-CG 3.96Å
3E90.2Very high89.3Confident157 Ų15795.5 Ų95.573%0.73454%0.537SS*.EExtended strand (participates in β ladder)trans-70.4138.9175.6-69.1-178.8165.300110.7P61E3-P61 WeakPolarHBondContact O-CD 3.3Å
4A91.8Very high89.5Confident14 Ų1490.1 Ų90.112%0.11651%0.509CS..PPolyproline II helixtrans-68.7149.4173.500000110.9N8 A10 D59A4-N8 HydrophobicContact CB-CB 4.28Å; A4-A10 HydrophobicContact CB-CB 4.3Å; A4-A10 WeakPolarHBondContact CB-O 3.24Å; A4-A10 PolarHBondContact N-O 3.19Å; A4-D59 CarbonylContact C-O 3.52Å; A4-D59 WeakPolarHBondContact CA-O 3.24Å; A4-D59 HydrophobicContact CB-CB 4.19Å; A4-D59 WeakPolarHBondContact CB-OD2 3.46Å
5K90.1Very high89.8Confident116 Ų11685.9 Ų85.950%0.50449%0.485SS..PPolyproline II helixtrans-67.3141.2168.5-70.7-177.5178.7-174.20110.1N8 D59 P61K5-N8 PolarHBondContact O-N 3.41Å; K5-D59 PolarHBondContact N-O 3.37Å; K5-P61 HydrophobicContact CG-CB 4.39Å; K5-P61 HydrophobicContact CG-CG 4.45Å
6Q89.6Confident90Very high165 Ų16594.9 Ų94.977%0.77151%0.51SS*.THydrogen-bonded Turntrans-50.3139.6166.1-65.6-62-39.700109.9
7P91.8Very high90.3Very high117 Ų11790.5 Ų90.576%0.7649%0.486SS*.THydrogen-bonded Turncis-89.22.513.436.2-37.9000115.4
8N91.1Very high90.5Very high79 Ų7992.1 Ų92.142%0.42249%0.49SS..  trans-85.6138.1-175.6-64.9-28.7000110.9A4 K5A4-N8 HydrophobicContact CB-CB 4.28Å; K5-N8 PolarHBondContact O-N 3.41Å
9S88.9Confident90.7Very high125 Ų12590.3 Ų90.387%0.87448%0.481SS*.  trans-108.9105.5171-1730000109.7
10A88.9Confident90.8Very high38 Ų3893.4 Ų93.431%0.31450%0.496SS..  trans-160.9149.817600000111.2A4A4-A10 HydrophobicContact CB-CB 4.3Å; A4-A10 WeakPolarHBondContact CB-O 3.24Å; A4-A10 PolarHBondContact N-O 3.19Å
11I89.8Confident90.9Very high112 Ų11298.3 Ų98.357%0.57451%0.513SS*.EExtended strand (participates in β ladder)trans-97.8107.7168.9-60.1172.8000108.4
12R91.3Very high91.5Very high85 Ų8598.8 Ų98.832%0.32150%0.495SS..EExtended strand (participates in β ladder)trans-80.3124.9178-60.8-68.9-173.8-166.1-1.5109.9G1 V2 C14 F29 D59 I60G1-R12 WeakPolarHBondContact CA-O 3.44Å; V2-R12 PolarHBondContact N-O 3.44Å; V2-R12 PolarHBondContact O-N 2.98Å; R12-C14 PolarHBondContact O-N 3.04Å; R12-F29 HydrophobicContact CB-CD2 4.5Å; R12-F29 HydrophobicContact CB-CE2 4.21Å; R12-D59 IonicContact CZ-OD1 3.33Å; R12-D59 IonicContact CZ-OD2 3.52Å; R12-D59 IonicContact NE-OD1 3.06Å; R12-D59 PolarHBondContact NE-OD1 2.91Å; R12-D59 IonicContact NE-OD2 3.78Å; R12-D59 PolarHBondContact NE-OD2 3.24Å; R12-D59 IonicContact NH2-OD1 2.73Å; R12-D59 IonicContact NH2-OD2 2.85Å; R12-D59 PolarHBondContact NH2-OD2 3.41Å; R12-I60 HydrophobicContact CB-CD1 4.04Å; R12-I60 HydrophobicContact CB-CG1 4.38Å; R12-I60 HydrophobicContact CB-CG2 4.37Å; R12-I60 HydrophobicContact CG-CD1 3.96Å; R12-I60 HydrophobicContact CG-CG1 3.96Å
13K91.9Very high91.7Very high111 Ų11199 Ų9948%0.48350%0.504SS..  trans-77.1115.7178.9-55.4-58.8-175.8172.10108.9F29 V30 L36K13-F29 WeakPolarHBondContact O-CD2 3.39Å; K13-V30 PolarHBondContact O-N 3.23Å; K13-L36 HydrophobicContact CB-CD2 4.41Å; K13-L36 HydrophobicContact CD-CD2 4.12Å; K13-L36 HydrophobicContact CG-CD2 4.4Å
14C92.2Very high91.9Very high21 Ų2198.1 Ų98.114%0.14250%0.498CS..EExtended strand (participates in β ladder)trans-133150.2-179.5-56.50000108.7V2 R12 A28V2-C14 HydrophobicContact CG2-CB 3.87Å; R12-C14 PolarHBondContact O-N 3.04Å; C14-A28 CarbonylContact C-O 3.51Å; C14-A28 VanDerWaalsContact CA-O 3.23Å; C14-A28 WeakPolarHBondContact CA-O 3.4Å; C14-A28 WeakPolarHBondContact CB-O 3.46Å
15V93.4Very high92Very high26 Ų26105.8 Ų105.816%0.15853%0.528CS..EExtended strand (participates in β ladder)trans-114.8150.1177.9-68.20000110.3V17 T27 A28 V30 L36 I39 V67V15-V17 HydrophobicContact CG2-CG2 3.89Å; V15-T27 WeakPolarHBondContact O-CA 3.31Å; V15-A28 HydrophobicContact CG2-CB 4.23Å; V15-A28 PolarHBondContact N-O 3.38Å; V15-A28 PolarHBondContact O-N 3.45Å; V15-V30 HydrophobicContact CB-CG2 4.44Å; V15-V30 HydrophobicContact CG1-CG2 3.71Å; V15-V30 HydrophobicContact CG2-CG2 4Å; V15-L36 HydrophobicContact CG1-CD1 3.93Å; V15-I39 HydrophobicContact CG1-CD1 4.45Å; V15-V67 HydrophobicContact CG2-CG2 3.66Å
16R93.5Very high92.2Very high231 Ų231101.8 Ų101.887%0.87251%0.512SS*.EExtended strand (participates in β ladder)trans-91.9127.2169-74.1-175.6173.4-178.9-1108I26 T27R16-I26 WeakPolarHBondContact CA-O 3.45Å; R16-T27 HydrophobicContact CG-CG2 4.34Å
17V94.1Very high92.4Very high19 Ų1996.3 Ų96.312%0.11549%0.49CS..EExtended strand (participates in β ladder)trans-124137.1-177.9-175.80000108.5V15 K25 I26 A28 V45 V47V15-V17 HydrophobicContact CG2-CG2 3.89Å; V17-K25 CarbonylContact O-C 3.59Å; V17-K25 WeakPolarHBondContact O-CA 3.38Å; V17-I26 HydrophobicContact CB-CG1 4.15Å; V17-I26 PolarHBondContact N-O 2.91Å; V17-I26 PolarHBondContact O-N 3.22Å; V17-A28 HydrophobicContact CG2-CB 4.27Å; V17-V45 HydrophobicContact CB-CG2 4.33Å; V17-V45 HydrophobicContact CG1-CG2 3.63Å; V17-V45 HydrophobicContact CG2-CG2 3.68Å; V17-V47 HydrophobicContact CB-CG2 4.36Å; V17-V47 HydrophobicContact CG1-CG2 4.03Å; V17-V47 HydrophobicContact CG2-CG2 4.14Å
18Q94.8Very high92.5Very high120 Ų12090.8 Ų90.856%0.56145%0.454SS*.EExtended strand (participates in β ladder)trans-99.9124.6169.1-173.9171-600108.9I20 G23 K25Q18-I20 PolarHBondContact O-N 2.92Å; Q18-G23 PolarHBondContact NE2-O 3.33Å; Q18-K25 HydrophobicContact CG-CG 4.48Å
19L94.4Very high92.6Very high58 Ų5888.4 Ų88.430%0.30444%0.44SS..  trans-71.3122.7177.9-65.3179000110.1K21 N22 G23 K24 I26L19-K21 PolarHBondContact O-N 2.97Å; L19-N22 HydrophobicContact CB-CB 4.42Å; L19-N22 PolarHBondContact O-N 2.89Å; L19-G23 VanDerWaalsContact O-CA 3.32Å; L19-G23 WeakPolarHBondContact O-CA 3.36Å; L19-G23 PolarHBondContact O-N 2.89Å; L19-K24 HydrophobicContact CD1-CB 4.43Å; L19-K24 PolarHBondContact N-O 2.89Å; L19-I26 HydrophobicContact CD2-CD1 3.82Å; L19-I26 HydrophobicContact CD2-CG1 4.48Å; L19-I26 HydrophobicContact CG-CD1 4.19Å; L19-I26 HydrophobicContact CG-CG1 4.47Å
20I92.8Very high92.8Very high152 Ų15282.7 Ų82.778%0.77940%0.4SS*.THydrogen-bonded Turntrans-56.6-47.7-178.1-60.1171.6000111.5Q18 N22Q18-I20 PolarHBondContact O-N 2.92Å; I20-N22 PolarHBondContact O-N 3.2Å
21K92.1Very high93Very high196 Ų19682.1 Ų82.185%0.85239%0.393SS*.THydrogen-bonded Turntrans-67.8-36.6-176.7-170.3-179.8179.3175.30113.9L19L19-K21 PolarHBondContact O-N 2.97Å
22N91.8Very high93Very high98 Ų9880.6 Ų80.652%0.52439%0.386SS..THydrogen-bonded Turntrans-116.4-6.9-165.1-64.4-8.3000113.5L19 I20 K24L19-N22 HydrophobicContact CB-CB 4.42Å; L19-N22 PolarHBondContact O-N 2.89Å; I20-N22 PolarHBondContact O-N 3.2Å; N22-K24 HydrophobicContact CB-CG 4.29Å; N22-K24 PolarHBondContact O-N 3.1Å
23G92Very high92.8Very high39 Ų3983.3 Ų83.340%0.40241%0.407SS..  trans63.7-3.5-174.600000115.7Q18 L19Q18-G23 PolarHBondContact NE2-O 3.33Å; L19-G23 VanDerWaalsContact O-CA 3.32Å; L19-G23 WeakPolarHBondContact O-CA 3.36Å; L19-G23 PolarHBondContact O-N 2.89Å
24K94.4Very high92.5Very high139 Ų13980.1 Ų80.160%0.60441%0.406SS*.  trans-69.6133-176.7-67.6-173.5179.7-177.90110.9L19 N22L19-K24 HydrophobicContact CD1-CB 4.43Å; L19-K24 PolarHBondContact N-O 2.89Å; N22-K24 HydrophobicContact CB-CG 4.29Å; N22-K24 PolarHBondContact O-N 3.1Å
25K94.2Very high92.3Very high175 Ų17579.2 Ų79.276%0.76140%0.399SS*.EExtended strand (participates in β ladder)trans-86.5125.7174.2-62.9178.7-177.7178.90109.4V17 Q18V17-K25 CarbonylContact O-C 3.59Å; V17-K25 WeakPolarHBondContact O-CA 3.38Å; Q18-K25 HydrophobicContact CG-CG 4.48Å
26I93.1Very high92.1Very high31 Ų3181 Ų8116%0.15941%0.408CS..EExtended strand (participates in β ladder)trans-128.7157.2179.562.2168.5000110.4R16 V17 L19 V47 F65R16-I26 WeakPolarHBondContact CA-O 3.45Å; V17-I26 HydrophobicContact CB-CG1 4.15Å; V17-I26 PolarHBondContact N-O 2.91Å; V17-I26 PolarHBondContact O-N 3.22Å; L19-I26 HydrophobicContact CD2-CD1 3.82Å; L19-I26 HydrophobicContact CD2-CG1 4.48Å; L19-I26 HydrophobicContact CG-CD1 4.19Å; L19-I26 HydrophobicContact CG-CG1 4.47Å; I26-V47 HydrophobicContact CD1-CG1 3.96Å; I26-F65 HydrophobicContact CB-CD2 4.38Å; I26-F65 HydrophobicContact CB-CE2 4.48Å; I26-F65 HydrophobicContact CD1-CD2 3.9Å; I26-F65 HydrophobicContact CD1-CE2 4.23Å; I26-F65 HydrophobicContact CD1-CG 4.2Å; I26-F65 HydrophobicContact CG2-CE2 4.33Å
27T93Very high91.9Very high51 Ų5176.6 Ų76.631%0.31340%0.401SS..EExtended strand (participates in β ladder)trans-99.6131.4169.250.30000109.6V15 R16V15-T27 WeakPolarHBondContact O-CA 3.31Å; R16-T27 HydrophobicContact CG-CG2 4.34Å
28A94.1Very high91.5Very high0 Ų078.8 Ų78.80%041%0.41CS..EExtended strand (participates in β ladder)trans-124.3138.1177.700000110.5C14 V15 V17 V47 F65 V67C14-A28 CarbonylContact C-O 3.51Å; C14-A28 VanDerWaalsContact CA-O 3.23Å; C14-A28 WeakPolarHBondContact CA-O 3.4Å; C14-A28 WeakPolarHBondContact CB-O 3.46Å; V15-A28 HydrophobicContact CG2-CB 4.23Å; V15-A28 PolarHBondContact N-O 3.38Å; V15-A28 PolarHBondContact O-N 3.45Å; V17-A28 HydrophobicContact CG2-CB 4.27Å; A28-V47 HydrophobicContact CB-CG1 4.11Å; A28-V47 HydrophobicContact CB-CG2 4.36Å; A28-F65 WeakPolarHBondContact CA-O 3.31Å; A28-F65 HydrophobicContact CB-CB 4.29Å; A28-V67 HydrophobicContact CB-CG2 4.01Å
29F94Very high91.3Very high30 Ų3074.4 Ų74.413%0.13239%0.39CS..EExtended strand (participates in β ladder)trans-76.3138.5174.7177.8-112.5000110.7R12 K13 P31 F50 I60 V63 F65 K66 V67R12-F29 HydrophobicContact CB-CD2 4.5Å; R12-F29 HydrophobicContact CB-CE2 4.21Å; K13-F29 WeakPolarHBondContact O-CD2 3.39Å; F29-P31 HydrophobicContact CD1-CB 4.36Å; F29-P31 HydrophobicContact CE1-CB 4.09Å; F29-P31 WeakPolarHBondContact O-CD 3.48Å; F29-F50 HydrophobicContact CB-CE1 4.35Å; F29-F50 HydrophobicContact CB-CE2 4.31Å; F29-F50 HydrophobicContact CB-CZ 4.07Å; F29-F50 HydrophobicContact CD1-CE1 4.2Å; F29-F50 AromaticContact CD1-CE2 3.49Å; F29-F50 HydrophobicContact CD1-CE2 3.49Å; F29-F50 VanDerWaalsContact CD1-CE2 3.49Å; F29-F50 AromaticContact CD1-CZ 3.23Å; F29-F50 HydrophobicContact CD1-CZ 3.23Å; F29-F50 HydrophobicContact CE1-CE2 4.22Å; F29-F50 AromaticContact CE1-CZ 3.8Å; F29-F50 HydrophobicContact CE1-CZ 3.8Å; F29-F50 HydrophobicContact CG-CE1 4.38Å; F29-F50 HydrophobicContact CG-CE2 4.27Å; F29-F50 AromaticContact CG-CZ 3.82Å; F29-F50 HydrophobicContact CG-CZ 3.82Å; F29-I60 HydrophobicContact CB-CD1 4.42Å; F29-I60 HydrophobicContact CD2-CD1 3.37Å; F29-I60 HydrophobicContact CE2-CD1 3.63Å; F29-I60 HydrophobicContact CG-CD1 3.87Å; F29-I60 HydrophobicContact CZ-CD1 4.3Å; F29-V63 HydrophobicContact CB-CG1 3.8Å; F29-F65 PolarHBondContact N-O 2.96Å; F29-K66 CarbonylContact O-C 3.52Å; F29-K66 VanDerWaalsContact O-CA 3.29Å; F29-K66 WeakPolarHBondContact O-CA 3.49Å; F29-V67 PolarHBondContact O-N 3.4Å
30V93.5Very high91.1Very high5 Ų577.1 Ų77.13%0.0340%0.401CS..  trans-96.1112.3171.9-1770000108K13 V15 C35 L36 I39 V67 L75K13-V30 PolarHBondContact O-N 3.23Å; V15-V30 HydrophobicContact CB-CG2 4.44Å; V15-V30 HydrophobicContact CG1-CG2 3.71Å; V15-V30 HydrophobicContact CG2-CG2 4Å; V30-C35 HydrophobicContact CG1-CB 3.78Å; V30-L36 HydrophobicContact CG2-CD1 4.25Å; V30-I39 HydrophobicContact CG1-CD1 4.01Å; V30-I39 HydrophobicContact CG2-CD1 3.81Å; V30-V67 HydrophobicContact CG2-CG2 4.29Å; V30-L75 HydrophobicContact CG1-CD1 4.23Å
31P91.8Very high90.8Very high26 Ų2678.3 Ų78.317%0.16940%0.403CS..  trans-78.7155.2-17932.4-33.6000112.1F29 C35 V67 L75F29-P31 HydrophobicContact CD1-CB 4.36Å; F29-P31 HydrophobicContact CE1-CB 4.09Å; F29-P31 WeakPolarHBondContact O-CD 3.48Å; P31-C35 VanDerWaalsContact O-CB 3.3Å; P31-C35 WeakPolarHBondContact O-CB 3.14Å; P31-V67 WeakPolarHBondContact CD-O 3.43Å; P31-V67 WeakPolarHBondContact CG-O 3.49Å; P31-L75 HydrophobicContact CG-CD2 4.06Å
32N90.4Very high90.6Very high79 Ų7976.8 Ų76.842%0.42240%0.404SS..SBendtrans65.6153.7-178.6-41.7-52.4000114.4Y79N32-Y79 HydrophobicContact CB-CD1 4.43Å; N32-Y79 HydrophobicContact CB-CD2 4.07Å; N32-Y79 HydrophobicContact CB-CE1 4.4Å; N32-Y79 HydrophobicContact CB-CE2 4.05Å; N32-Y79 HydrophobicContact CB-CG 4.27Å
33D87.7Confident90.5Very high142 Ų14274.2 Ų74.276%0.75939%0.39SS*.THydrogen-bonded Turntrans-71.6147.3-179.3-67.4-39.5000111.8C35 Y79D33-C35 PolarHBondContact O-N 3.01Å; D33-Y79 WeakPolarHBondContact O-CE2 3.46Å
34G85.3Confident90.4Very high45 Ų4578.3 Ų78.346%0.46440%0.399SS..THydrogen-bonded Turntrans70.6-8.617900000115.5L36 N37G34-L36 PolarHBondContact O-N 2.88Å; G34-L36 VanDerWaalsContact O-N 3.13Å; G34-N37 WeakPolarHBondContact O-CB 3.36Å; G34-N37 PolarHBondContact O-N 3.46Å
35C88.9Confident90.4Very high1 Ų173.4 Ų73.41%0.00738%0.381CS..G310 helixtrans-69.3-14.5-175.2-73.30000114.7V30 P31 D33 N37 F38 L75 Y79V30-C35 HydrophobicContact CG1-CB 3.78Å; P31-C35 VanDerWaalsContact O-CB 3.3Å; P31-C35 WeakPolarHBondContact O-CB 3.14Å; D33-C35 PolarHBondContact O-N 3.01Å; C35-N37 PolarHBondContact O-N 2.87Å; C35-F38 HydrophobicContact CB-CD2 4.38Å; C35-F38 PolarHBondContact O-N 3.46Å; C35-L75 HydrophobicContact CB-CD1 4.32Å; C35-L75 HydrophobicContact CB-CD2 3.72Å; C35-L75 HydrophobicContact CB-CG 4.2Å; C35-L75 VanDerWaalsContact SG-CD2 3.52Å; C35-Y79 VanDerWaalsContact SG-CD2 3.53Å
36L87.7Confident90.4Very high65 Ų6569.4 Ų69.434%0.3437%0.367SS..G310 helixtrans-62.5-30.7171.5-170.368.9000111.6K13 V15 V30 G34 F38 I39K13-L36 HydrophobicContact CB-CD2 4.41Å; K13-L36 HydrophobicContact CD-CD2 4.12Å; K13-L36 HydrophobicContact CG-CD2 4.4Å; V15-L36 HydrophobicContact CG1-CD1 3.93Å; V30-L36 HydrophobicContact CG2-CD1 4.25Å; G34-L36 PolarHBondContact O-N 2.88Å; G34-L36 VanDerWaalsContact O-N 3.13Å; L36-F38 PolarHBondContact O-N 2.88Å; L36-I39 PolarHBondContact O-N 3.41Å
37N89.1Confident90.5Very high137 Ų13769.7 Ų69.773%0.73337%0.371SS*.G310 helixtrans-69.8-15.9-178.9-60-10.2000112.8G34 C35G34-N37 WeakPolarHBondContact O-CB 3.36Å; G34-N37 PolarHBondContact O-N 3.46Å; C35-N37 PolarHBondContact O-N 2.87Å
38F87.2Confident90.5Very high66 Ų6669 Ų6929%0.28937%0.37SS..G310 helixtrans-88.6-4.9176.9-60.9-58.4000113.4C35 L36 L78C35-F38 HydrophobicContact CB-CD2 4.38Å; C35-F38 PolarHBondContact O-N 3.46Å; L36-F38 PolarHBondContact O-N 2.88Å; F38-L78 HydrophobicContact CB-CD1 4.21Å; F38-L78 HydrophobicContact CD2-CB 4.25Å; F38-L78 HydrophobicContact CE2-CB 4.43Å; F38-L78 HydrophobicContact CG-CB 4.34Å; F38-L78 HydrophobicContact CG-CD1 4.48Å
39I89.8Confident90.4Very high27 Ų2771.5 Ų71.514%0.13840%0.396CS..  trans-113123.2-177.1-57.2172.9000108.1V15 V30 L36 V45 V67 V70 L75V15-I39 HydrophobicContact CG1-CD1 4.45Å; V30-I39 HydrophobicContact CG1-CD1 4.01Å; V30-I39 HydrophobicContact CG2-CD1 3.81Å; L36-I39 PolarHBondContact O-N 3.41Å; I39-V45 HydrophobicContact CG2-CG1 4.36Å; I39-V67 HydrophobicContact CD1-CG1 4.25Å; I39-V70 HydrophobicContact CD1-CG2 4.13Å; I39-V70 HydrophobicContact CG1-CG1 4.15Å; I39-V70 HydrophobicContact CG1-CG2 3.66Å; I39-L75 HydrophobicContact CD1-CD1 4.22Å
40E90Very high89.9Confident115 Ų11572.2 Ų72.254%0.53740%0.399SS..  trans-104.4169.4172.6-76.2170.1-169.800112.3D43 R85E40-D43 PolarHBondContact N-OD2 3.24Å; E40-D43 PolarHBondContact O-N 2.91Å; E40-R85 IonicContact OE1-CZ 3.71Å; E40-R85 IonicContact OE1-NH1 2.75Å; E40-R85 PolarHBondContact OE1-NH1 2.81Å; E40-R85 IonicContact OE1-NH2 3.77Å; E40-R85 IonicContact OE2-CZ 3.44Å; E40-R85 IonicContact OE2-NH1 3.24Å; E40-R85 PolarHBondContact OE2-NH1 3.18Å; E40-R85 IonicContact OE2-NH2 2.76Å; E40-R85 PolarHBondContact OE2-NH2 2.79Å
41E85.9Confident89.3Confident178 Ų17875.5 Ų75.583%0.83243%0.434SS*.THydrogen-bonded Turntrans-65.4135.3172.7-61-172.4160.800109.9D43E41-D43 VanDerWaalsContact C-N 3.27Å; E41-D43 PolarHBondContact O-N 2.76Å
42N87.9Confident88.6Confident164 Ų16481.9 Ų81.988%0.87746%0.455SS*.THydrogen-bonded Turntrans72.15.6-176.6-43.7-62.9000116.4
43D90.1Very high88.1Confident43 Ų4388 Ų8823%0.2348%0.477CS..  trans-63142172.2-91.2-15.4000112.2E40 E41 V45 V70 R85E40-D43 PolarHBondContact N-OD2 3.24Å; E40-D43 PolarHBondContact O-N 2.91Å; E41-D43 VanDerWaalsContact C-N 3.27Å; E41-D43 PolarHBondContact O-N 2.76Å; D43-V45 PolarHBondContact O-N 3.12Å; D43-V70 HydrophobicContact CB-CG1 4.24Å; D43-R85 VanDerWaalsContact CG-NH2 3.33Å; D43-R85 IonicContact OD1-NH2 3.4Å; D43-R85 PolarHBondContact OD1-NH2 2.75Å; D43-R85 IonicContact OD2-CZ 3.06Å; D43-R85 IonicContact OD2-NE 3.63Å; D43-R85 IonicContact OD2-NH2 3.87Å; D43-R85 PolarHBondContact OD2-NH2 2.77Å
44E91.3Very high87.7Confident125 Ų12583.5 Ų83.558%0.58446%0.464SS*.  trans-75120.9168.2-68.5-168.4163.700110.8A71E44-A71 PolarHBondContact O-N 3.29Å
45V94.1Very high87.7Confident36 Ų3687.5 Ų87.522%0.21847%0.471CS..EExtended strand (participates in β ladder)trans-120.5137.4-179.5-63.90000111.8V17 I39 D43 V47 V67 K69 V70V17-V45 HydrophobicContact CB-CG2 4.33Å; V17-V45 HydrophobicContact CG1-CG2 3.63Å; V17-V45 HydrophobicContact CG2-CG2 3.68Å; I39-V45 HydrophobicContact CG2-CG1 4.36Å; D43-V45 PolarHBondContact O-N 3.12Å; V45-V47 HydrophobicContact CG2-CG2 4.13Å; V45-V67 HydrophobicContact CB-CG1 4.32Å; V45-V67 HydrophobicContact CG1-CG1 4.46Å; V45-K69 WeakPolarHBondContact CA-O 3.23Å; V45-V70 HydrophobicContact CG1-CG1 4.21Å; V45-V70 HydrophobicContact CG1-CG2 4.29Å
46L94.4Very high87.5Confident92 Ų9288.9 Ų88.948%0.48248%0.483SS..EExtended strand (participates in β ladder)trans-88.8120.3169.4-166.994.7000109.2V68 K69L46-V68 HydrophobicContact CD2-CB 4.3Å; L46-V68 HydrophobicContact CD2-CG1 4.49Å; L46-V68 PolarHBondContact O-N 3.06Å; L46-K69 HydrophobicContact CB-CB 3.67Å; L46-K69 HydrophobicContact CB-CD 4.44Å; L46-K69 HydrophobicContact CB-CG 4.06Å; L46-K69 HydrophobicContact CD2-CD 4.03Å; L46-K69 HydrophobicContact CD2-CG 3.95Å; L46-K69 PolarHBondContact N-O 3Å; L46-K69 PolarHBondContact O-N 3.13Å
47V94.1Very high87.4Confident37 Ų3787.3 Ų87.322%0.22448%0.476CS..EExtended strand (participates in β ladder)trans-105.9138.1179.6-177.40000110.2V17 I26 A28 V45 F65 K66V17-V47 HydrophobicContact CB-CG2 4.36Å; V17-V47 HydrophobicContact CG1-CG2 4.03Å; V17-V47 HydrophobicContact CG2-CG2 4.14Å; I26-V47 HydrophobicContact CD1-CG1 3.96Å; A28-V47 HydrophobicContact CB-CG1 4.11Å; A28-V47 HydrophobicContact CB-CG2 4.36Å; V45-V47 HydrophobicContact CG2-CG2 4.13Å; V47-F65 HydrophobicContact CG1-CB 3.4Å; V47-F65 VanDerWaalsContact CG1-CB 3.4Å; V47-F65 HydrophobicContact CG1-CD1 4.16Å; V47-F65 HydrophobicContact CG1-CG 3.97Å; V47-K66 WeakPolarHBondContact CA-O 3.32Å
48A93.3Very high87.3Confident36 Ų3683.7 Ų83.730%0.29847%0.47SS..EExtended strand (participates in β ladder)trans-128.1162.3175.400000111.6F65 K66 V68A48-F65 CarbonylContact O-C 3.59Å; A48-F65 VanDerWaalsContact O-CA 3.24Å; A48-F65 WeakPolarHBondContact O-CA 3.38Å; A48-K66 PolarHBondContact N-O 3.13Å; A48-K66 PolarHBondContact O-N 2.85Å; A48-V68 HydrophobicContact CB-CG2 3.53Å
49G91.5Very high87.4Confident53 Ų5381.6 Ų81.655%0.54646%0.462SS..EExtended strand (participates in β ladder)trans-61.9143.8173.700000112.2
50F84.9Confident87.3Confident44 Ų4480.5 Ų80.519%0.19346%0.457CS..  trans-88.1-1.4-173.2-155.9-143.6000114.5F29 V57 I60 R64 K66F29-F50 HydrophobicContact CB-CE1 4.35Å; F29-F50 HydrophobicContact CB-CE2 4.31Å; F29-F50 HydrophobicContact CB-CZ 4.07Å; F29-F50 HydrophobicContact CD1-CE1 4.2Å; F29-F50 AromaticContact CD1-CE2 3.49Å; F29-F50 HydrophobicContact CD1-CE2 3.49Å; F29-F50 VanDerWaalsContact CD1-CE2 3.49Å; F29-F50 AromaticContact CD1-CZ 3.23Å; F29-F50 HydrophobicContact CD1-CZ 3.23Å; F29-F50 HydrophobicContact CE1-CE2 4.22Å; F29-F50 AromaticContact CE1-CZ 3.8Å; F29-F50 HydrophobicContact CE1-CZ 3.8Å; F29-F50 HydrophobicContact CG-CE1 4.38Å; F29-F50 HydrophobicContact CG-CE2 4.27Å; F29-F50 AromaticContact CG-CZ 3.82Å; F29-F50 HydrophobicContact CG-CZ 3.82Å; F50-V57 HydrophobicContact CB-CG2 4Å; F50-V57 HydrophobicContact CD1-CB 3.53Å; F50-V57 HydrophobicContact CD1-CG1 4.34Å; F50-V57 HydrophobicContact CD1-CG2 3.87Å; F50-V57 HydrophobicContact CE1-CB 4.02Å; F50-V57 HydrophobicContact CG-CB 4.31Å; F50-V57 HydrophobicContact CG-CG2 4.22Å; F50-I60 HydrophobicContact CE1-CD1 4.23Å; F50-R64 WeakPolarHBondContact CB-O 3.21Å; F50-R64 PolarHBondContact N-O 3.47Å; F50-K66 HydrophobicContact CD2-CB 3.44Å; F50-K66 VanDerWaalsContact CD2-CB 3.44Å; F50-K66 HydrophobicContact CD2-CD 3.75Å; F50-K66 HydrophobicContact CD2-CG 3.67Å; F50-K66 HydrophobicContact CE2-CB 3.75Å; F50-K66 HydrophobicContact CE2-CD 4.07Å; F50-K66 HydrophobicContact CE2-CG 4.27Å; F50-K66 HydrophobicContact CG-CB 4.41Å
51G79.8Confident87.2Confident74 Ų7477.5 Ų77.576%0.76345%0.447SS*.SBendtrans125-28.716600000115.3
52R78.1Confident87.4Confident161 Ų16171.5 Ų71.561%0.60843%0.433SS*.SBendtrans-97.2123.8172.9-67.2-177.1169.8-174.5-4.7109.8G54 H55 V57R52-G54 PolarHBondContact O-N 2.93Å; R52-H55 HydrophobicContact CB-CB 3.91Å; R52-H55 PolarHBondContact O-N 3.33Å; R52-H55 VanDerWaalsContact O-N 3.13Å; R52-V57 HydrophobicContact CB-CG2 3.93Å; R52-V57 HydrophobicContact CG-CG2 3.94Å
53K79.8Confident87.6Confident206 Ų20663.7 Ų63.790%0.89639%0.391SS*.THydrogen-bonded Turntrans-50.694.4-178.8-74.4-175.9176.8-179.90111.3H55K53-H55 VanDerWaalsContact C-N 3.27Å; K53-H55 PolarHBondContact O-CD2 2.79Å; K53-H55 PolarHBondContact O-N 3.37Å
54G77.6Confident87.7Confident48 Ų4868.1 Ų68.150%0.49541%0.405SS..THydrogen-bonded Turntrans75.41.2177.900000116.4R52 R64R52-G54 PolarHBondContact O-N 2.93Å; G54-R64 VanDerWaalsContact O-CD 3.31Å; G54-R64 WeakPolarHBondContact O-CD 3.37Å; G54-R64 VanDerWaalsContact O-CZ 3.29Å; G54-R64 PolarHBondContact O-NE 2.85Å; G54-R64 PolarHBondContact O-NH1 2.85Å
55H85.6Confident87.7Confident130 Ų13065.7 Ų65.760%0.60239%0.392SS*.SBendtrans-106.2150.3-178.8-61.1-76.8000112R52 K53R52-H55 HydrophobicContact CB-CB 3.91Å; R52-H55 PolarHBondContact O-N 3.33Å; R52-H55 VanDerWaalsContact O-N 3.13Å; K53-H55 VanDerWaalsContact C-N 3.27Å; K53-H55 PolarHBondContact O-CD2 2.79Å; K53-H55 PolarHBondContact O-N 3.37Å
56A85.8Confident87.7Confident30 Ų3067.7 Ų67.725%0.24840%0.398CS..  trans-63.8144.7168.600000109.7V63A56-V63 WeakPolarHBondContact CA-O 3.41Å
57V85Confident87.7Confident32 Ų3263.3 Ų63.319%0.19438%0.375CS..  trans-111.3137.1-175.3-173.50000109.6F50 R52F50-V57 HydrophobicContact CB-CG2 4Å; F50-V57 HydrophobicContact CD1-CB 3.53Å; F50-V57 HydrophobicContact CD1-CG1 4.34Å; F50-V57 HydrophobicContact CD1-CG2 3.87Å; F50-V57 HydrophobicContact CE1-CB 4.02Å; F50-V57 HydrophobicContact CG-CB 4.31Å; F50-V57 HydrophobicContact CG-CG2 4.22Å; R52-V57 HydrophobicContact CB-CG2 3.93Å; R52-V57 HydrophobicContact CG-CG2 3.94Å
58G86.6Confident87.7Confident60 Ų6063.8 Ų63.862%0.61938%0.378SS*.THydrogen-bonded Turntrans68.1-141174.600000113.4I60G58-I60 VanDerWaalsContact C-N 3.32Å
59D89Confident87.8Confident22 Ų2266.3 Ų66.312%0.11838%0.383CS..THydrogen-bonded Turntrans-860.9-177.762-20.8000113.3A4 K5 R12 P61A4-D59 CarbonylContact C-O 3.52Å; A4-D59 WeakPolarHBondContact CA-O 3.24Å; A4-D59 HydrophobicContact CB-CB 4.19Å; A4-D59 WeakPolarHBondContact CB-OD2 3.46Å; K5-D59 PolarHBondContact N-O 3.37Å; R12-D59 IonicContact CZ-OD1 3.33Å; R12-D59 IonicContact CZ-OD2 3.52Å; R12-D59 IonicContact NE-OD1 3.06Å; R12-D59 PolarHBondContact NE-OD1 2.91Å; R12-D59 IonicContact NE-OD2 3.78Å; R12-D59 PolarHBondContact NE-OD2 3.24Å; R12-D59 IonicContact NH2-OD1 2.73Å; R12-D59 IonicContact NH2-OD2 2.85Å; R12-D59 PolarHBondContact NH2-OD2 3.41Å; D59-P61 VanDerWaalsContact O-CD 3.29Å; D59-P61 WeakPolarHBondContact O-CD 3.29Å
60I89.1Confident87.8Confident5 Ų563.9 Ų63.93%0.02636%0.357CS..  trans-95.8107.5-174-37-170.4000110.1V2 R12 F29 F50 G58 V63V2-I60 HydrophobicContact CB-CG2 4.4Å; V2-I60 HydrophobicContact CG1-CG2 4.04Å; R12-I60 HydrophobicContact CB-CD1 4.04Å; R12-I60 HydrophobicContact CB-CG1 4.38Å; R12-I60 HydrophobicContact CB-CG2 4.37Å; R12-I60 HydrophobicContact CG-CD1 3.96Å; R12-I60 HydrophobicContact CG-CG1 3.96Å; F29-I60 HydrophobicContact CB-CD1 4.42Å; F29-I60 HydrophobicContact CD2-CD1 3.37Å; F29-I60 HydrophobicContact CE2-CD1 3.63Å; F29-I60 HydrophobicContact CG-CD1 3.87Å; F29-I60 HydrophobicContact CZ-CD1 4.3Å; F50-I60 HydrophobicContact CE1-CD1 4.23Å; G58-I60 VanDerWaalsContact C-N 3.32Å; I60-V63 HydrophobicContact CB-CB 4.28Å; I60-V63 HydrophobicContact CG2-CB 3.69Å; I60-V63 HydrophobicContact CG2-CG2 3.5Å; I60-V63 VanDerWaalsContact CG2-CG2 3.5Å
61P88.5Confident88Confident51 Ų5162.9 Ų62.933%0.33136%0.357SS..THydrogen-bonded Turntrans-68.4137.2179.127.9-32.4000111.2V2 E3 K5 D59 V63V2-P61 HydrophobicContact CG1-CG 3.96Å; E3-P61 WeakPolarHBondContact O-CD 3.3Å; K5-P61 HydrophobicContact CG-CB 4.39Å; K5-P61 HydrophobicContact CG-CG 4.45Å; D59-P61 VanDerWaalsContact O-CD 3.29Å; D59-P61 WeakPolarHBondContact O-CD 3.29Å; P61-V63 PolarHBondContact O-N 3.04Å
62G88.3Confident88.3Confident53 Ų5366.2 Ų66.255%0.54636%0.357SS..THydrogen-bonded Turntrans73.1-10.7170.900000116.1
63V91.9Very high89Confident0 Ų059.4 Ų59.40%033%0.334CS..  trans-91.7114.2-179.3-176.10000110.4F29 A56 I60 P61 F65F29-V63 HydrophobicContact CB-CG1 3.8Å; A56-V63 WeakPolarHBondContact CA-O 3.41Å; I60-V63 HydrophobicContact CB-CB 4.28Å; I60-V63 HydrophobicContact CG2-CB 3.69Å; I60-V63 HydrophobicContact CG2-CG2 3.5Å; I60-V63 VanDerWaalsContact CG2-CG2 3.5Å; P61-V63 PolarHBondContact O-N 3.04Å; V63-F65 WeakPolarHBondContact CG1-O 3.4Å
64R92.1Very high89.5Confident135 Ų13551.7 Ų51.751%0.50931%0.305SS..  trans-110.8-7.4-176.3-58.1177.2-175.7-172.71.2113.1F50 G54F50-R64 WeakPolarHBondContact CB-O 3.21Å; F50-R64 PolarHBondContact N-O 3.47Å; G54-R64 VanDerWaalsContact O-CD 3.31Å; G54-R64 WeakPolarHBondContact O-CD 3.37Å; G54-R64 VanDerWaalsContact O-CZ 3.29Å; G54-R64 PolarHBondContact O-NE 2.85Å; G54-R64 PolarHBondContact O-NH1 2.85Å
65F93.3Very high90.2Very high74 Ų7449.5 Ų49.533%0.32528%0.282SS..EExtended strand (participates in β ladder)trans-128.9156.7-171.9-57.6-78.7000111.2I26 A28 F29 V47 A48 V63I26-F65 HydrophobicContact CB-CD2 4.38Å; I26-F65 HydrophobicContact CB-CE2 4.48Å; I26-F65 HydrophobicContact CD1-CD2 3.9Å; I26-F65 HydrophobicContact CD1-CE2 4.23Å; I26-F65 HydrophobicContact CD1-CG 4.2Å; I26-F65 HydrophobicContact CG2-CE2 4.33Å; A28-F65 WeakPolarHBondContact CA-O 3.31Å; A28-F65 HydrophobicContact CB-CB 4.29Å; F29-F65 PolarHBondContact N-O 2.96Å; V47-F65 HydrophobicContact CG1-CB 3.4Å; V47-F65 VanDerWaalsContact CG1-CB 3.4Å; V47-F65 HydrophobicContact CG1-CD1 4.16Å; V47-F65 HydrophobicContact CG1-CG 3.97Å; A48-F65 CarbonylContact O-C 3.59Å; A48-F65 VanDerWaalsContact O-CA 3.24Å; A48-F65 WeakPolarHBondContact O-CA 3.38Å; V63-F65 WeakPolarHBondContact CG1-O 3.4Å
66K93.3Very high90.5Very high78 Ų7847.7 Ų47.734%0.33928%0.277SS..EExtended strand (participates in β ladder)trans-126.5154.5170.556.3171.8175.8-171.30112F29 V47 A48 F50 V68F29-K66 CarbonylContact O-C 3.52Å; F29-K66 VanDerWaalsContact O-CA 3.29Å; F29-K66 WeakPolarHBondContact O-CA 3.49Å; V47-K66 WeakPolarHBondContact CA-O 3.32Å; A48-K66 PolarHBondContact N-O 3.13Å; A48-K66 PolarHBondContact O-N 2.85Å; F50-K66 HydrophobicContact CD2-CB 3.44Å; F50-K66 VanDerWaalsContact CD2-CB 3.44Å; F50-K66 HydrophobicContact CD2-CD 3.75Å; F50-K66 HydrophobicContact CD2-CG 3.67Å; F50-K66 HydrophobicContact CE2-CB 3.75Å; F50-K66 HydrophobicContact CE2-CD 4.07Å; F50-K66 HydrophobicContact CE2-CG 4.27Å; F50-K66 HydrophobicContact CG-CB 4.41Å; K66-V68 HydrophobicContact CG-CG2 4.31Å
67V94.3Very high90.8Very high1 Ų147 Ų471%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-77.6135.8168-176.40000109.5V15 A28 F29 V30 P31 I39 V45 V70 L75V15-V67 HydrophobicContact CG2-CG2 3.66Å; A28-V67 HydrophobicContact CB-CG2 4.01Å; F29-V67 PolarHBondContact O-N 3.4Å; V30-V67 HydrophobicContact CG2-CG2 4.29Å; P31-V67 WeakPolarHBondContact CD-O 3.43Å; P31-V67 WeakPolarHBondContact CG-O 3.49Å; I39-V67 HydrophobicContact CD1-CG1 4.25Å; V45-V67 HydrophobicContact CB-CG1 4.32Å; V45-V67 HydrophobicContact CG1-CG1 4.46Å; V67-V70 HydrophobicContact CG1-CG2 4.01Å; V67-L75 HydrophobicContact CB-CD1 4.3Å; V67-L75 HydrophobicContact CG1-CD1 3.81Å
68V94.6Very high91Very high46 Ų4646 Ų4628%0.27926%0.264SS..EExtended strand (participates in β ladder)trans-120.4-37179.4-179.80000111.9L46 A48 K66 L75L46-V68 HydrophobicContact CD2-CB 4.3Å; L46-V68 HydrophobicContact CD2-CG1 4.49Å; L46-V68 PolarHBondContact O-N 3.06Å; A48-V68 HydrophobicContact CB-CG2 3.53Å; K66-V68 HydrophobicContact CG-CG2 4.31Å; V68-L75 PolarHBondContact O-N 3.41Å
69K93.8Very high91.2Very high90 Ų9048.5 Ų48.539%0.39126%0.256SS..EExtended strand (participates in β ladder)trans-135.2152.8177.4-51.8-172.9179.8175.50110.4V45 L46 V73V45-K69 WeakPolarHBondContact CA-O 3.23Å; L46-K69 HydrophobicContact CB-CB 3.67Å; L46-K69 HydrophobicContact CB-CD 4.44Å; L46-K69 HydrophobicContact CB-CG 4.06Å; L46-K69 HydrophobicContact CD2-CD 4.03Å; L46-K69 HydrophobicContact CD2-CG 3.95Å; L46-K69 PolarHBondContact N-O 3Å; L46-K69 PolarHBondContact O-N 3.13Å; K69-V73 CarbonylContact C-O 3.58Å; K69-V73 WeakPolarHBondContact CA-O 3.4Å; K69-V73 VanDerWaalsContact CB-O 3.24Å; K69-V73 WeakPolarHBondContact CB-O 3.4Å
70V92Very high91.3Very high1 Ų153.5 Ų53.51%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-135.7132175.7-171.50000106.1I39 D43 V45 V67 N72 V73 L75I39-V70 HydrophobicContact CD1-CG2 4.13Å; I39-V70 HydrophobicContact CG1-CG1 4.15Å; I39-V70 HydrophobicContact CG1-CG2 3.66Å; D43-V70 HydrophobicContact CB-CG1 4.24Å; V45-V70 HydrophobicContact CG1-CG1 4.21Å; V45-V70 HydrophobicContact CG1-CG2 4.29Å; V67-V70 HydrophobicContact CG1-CG2 4.01Å; V70-N72 VanDerWaalsContact C-N 3.28Å; V70-N72 PolarHBondContact O-N 3.05Å; V70-V73 PolarHBondContact N-O 3.3Å; V70-V73 PolarHBondContact O-N 3.17Å; V70-V73 VanDerWaalsContact O-O 3.08Å; V70-L75 HydrophobicContact CG2-CD1 3.93Å
71A88.7Confident91.3Very high24 Ų2456.2 Ų56.220%0.19831%0.306CS..THydrogen-bonded Turntrans48.847.3179.800000113E44 V73 P86E44-A71 PolarHBondContact O-N 3.29Å; A71-V73 PolarHBondContact O-N 3.24Å; A71-P86 HydrophobicContact CB-CG 3.93Å
72N87.4Confident91.4Very high144 Ų14461.7 Ų61.777%0.7733%0.325SS*.THydrogen-bonded Turntrans61.21.9-175.9-66.4-50.2000116.9V70V70-N72 VanDerWaalsContact C-N 3.28Å; V70-N72 PolarHBondContact O-N 3.05Å
73V91.4Very high91.5Very high18 Ų1865.3 Ų65.311%0.10933%0.326CS..EExtended strand (participates in β ladder)trans-102.5141.1175.8-175.30000110.6K69 V70 A71 L75 L78 K83 P86K69-V73 CarbonylContact C-O 3.58Å; K69-V73 WeakPolarHBondContact CA-O 3.4Å; K69-V73 VanDerWaalsContact CB-O 3.24Å; K69-V73 WeakPolarHBondContact CB-O 3.4Å; V70-V73 PolarHBondContact N-O 3.3Å; V70-V73 PolarHBondContact O-N 3.17Å; V70-V73 VanDerWaalsContact O-O 3.08Å; A71-V73 PolarHBondContact O-N 3.24Å; V73-L75 PolarHBondContact O-N 3.26Å; V73-L78 HydrophobicContact CB-CD1 4.49Å; V73-L78 HydrophobicContact CB-CD2 4.36Å; V73-L78 HydrophobicContact CB-CG 4.39Å; V73-L78 HydrophobicContact CG1-CD1 4.41Å; V73-L78 HydrophobicContact CG1-CD2 3.77Å; V73-L78 HydrophobicContact CG1-CG 3.79Å; V73-K83 HydrophobicContact CG1-CB 3.76Å; V73-K83 HydrophobicContact CG1-CD 3.9Å; V73-K83 HydrophobicContact CG1-CG 4.45Å; V73-P86 HydrophobicContact CG2-CG 4.2Å
74S92.3Very high91.2Very high43 Ų4373.7 Ų73.730%0.30137%0.365SS..EExtended strand (participates in β ladder)trans-66.8130.8175-179.80000110.9L76 A77 L78S74-L76 PolarHBondContact O-N 2.92Å; S74-L76 PolarHBondContact OG-N 3.49Å; S74-A77 WeakPolarHBondContact O-CA 3.47Å; S74-A77 WeakPolarHBondContact O-CB 3.29Å; S74-A77 PolarHBondContact O-N 3.39Å; S74-L78 PolarHBondContact O-N 3.27Å
75L91.6Very high90.6Very high3 Ų370.6 Ų70.62%0.01635%0.353CS..Hα-helixtrans-61.3-30.9177.9-171.8149.9000111.7V30 P31 C35 I39 V67 V68 V70 V73 A77 L78 Y79V30-L75 HydrophobicContact CG1-CD1 4.23Å; P31-L75 HydrophobicContact CG-CD2 4.06Å; C35-L75 HydrophobicContact CB-CD1 4.32Å; C35-L75 HydrophobicContact CB-CD2 3.72Å; C35-L75 HydrophobicContact CB-CG 4.2Å; C35-L75 VanDerWaalsContact SG-CD2 3.52Å; I39-L75 HydrophobicContact CD1-CD1 4.22Å; V67-L75 HydrophobicContact CB-CD1 4.3Å; V67-L75 HydrophobicContact CG1-CD1 3.81Å; V68-L75 PolarHBondContact O-N 3.41Å; V70-L75 HydrophobicContact CG2-CD1 3.93Å; V73-L75 PolarHBondContact O-N 3.26Å; L75-A77 VanDerWaalsContact C-N 3.35Å; L75-L78 PolarHBondContact O-N 2.91Å; L75-Y79 VanDerWaalsContact O-CB 3.31Å; L75-Y79 WeakPolarHBondContact O-CB 3.39Å; L75-Y79 PolarHBondContact O-N 3.4Å
76L91.8Very high90Very high92 Ų9270 Ų7048%0.48236%0.356SS..Hα-helixtrans-69.1-32.6173.2-170.6148.2000112.4S74 K80S74-L76 PolarHBondContact O-N 2.92Å; S74-L76 PolarHBondContact OG-N 3.49Å; L76-K80 HydrophobicContact CD2-CD 3.77Å; L76-K80 HydrophobicContact CD2-CG 4.45Å; L76-K80 WeakPolarHBondContact O-CB 3.44Å; L76-K80 WeakPolarHBondContact O-CG 3.49Å; L76-K80 PolarHBondContact O-N 2.85Å; L76-K80 VanDerWaalsContact O-N 3.1Å
77A91.8Very high88.9Confident16 Ų1678.2 Ų78.213%0.13239%0.385CS..Hα-helixtrans-72.5-39.1175.500000111.6S74 L75 G81 K82 K83S74-A77 WeakPolarHBondContact O-CA 3.47Å; S74-A77 WeakPolarHBondContact O-CB 3.29Å; S74-A77 PolarHBondContact O-N 3.39Å; L75-A77 VanDerWaalsContact C-N 3.35Å; A77-G81 PolarHBondContact O-N 2.86Å; A77-K82 PolarHBondContact O-N 2.82Å; A77-K83 HydrophobicContact CB-CB 4.17Å; A77-K83 HydrophobicContact CB-CD 4.35Å; A77-K83 HydrophobicContact CB-CG 4.2Å; A77-K83 PolarHBondContact O-N 2.99Å
78L90.1Very high87.3Confident9 Ų987.3 Ų87.35%0.04745%0.449CS..Hα-helixtrans-62.4-48.5172-65.1173.6000110.9F38 V73 S74 L75 K80 G81 R85F38-L78 HydrophobicContact CB-CD1 4.21Å; F38-L78 HydrophobicContact CD2-CB 4.25Å; F38-L78 HydrophobicContact CE2-CB 4.43Å; F38-L78 HydrophobicContact CG-CB 4.34Å; F38-L78 HydrophobicContact CG-CD1 4.48Å; V73-L78 HydrophobicContact CB-CD1 4.49Å; V73-L78 HydrophobicContact CB-CD2 4.36Å; V73-L78 HydrophobicContact CB-CG 4.39Å; V73-L78 HydrophobicContact CG1-CD1 4.41Å; V73-L78 HydrophobicContact CG1-CD2 3.77Å; V73-L78 HydrophobicContact CG1-CG 3.79Å; S74-L78 PolarHBondContact O-N 3.27Å; L75-L78 PolarHBondContact O-N 2.91Å; L78-K80 VanDerWaalsContact C-N 3.31Å; L78-K80 PolarHBondContact O-N 2.92Å; L78-G81 PolarHBondContact O-N 2.73Å; L78-R85 HydrophobicContact CD2-CB 4.24Å
79Y90.2Very high86.9Confident114 Ų11489.4 Ų89.445%0.44746%0.457SS..Hα-helixtrans-58.9-39.9178.8178.8-108.3000113.2N32 D33 C35 L75 G81N32-Y79 HydrophobicContact CB-CD1 4.43Å; N32-Y79 HydrophobicContact CB-CD2 4.07Å; N32-Y79 HydrophobicContact CB-CE1 4.4Å; N32-Y79 HydrophobicContact CB-CE2 4.05Å; N32-Y79 HydrophobicContact CB-CG 4.27Å; D33-Y79 WeakPolarHBondContact O-CE2 3.46Å; C35-Y79 VanDerWaalsContact SG-CD2 3.53Å; L75-Y79 VanDerWaalsContact O-CB 3.31Å; L75-Y79 WeakPolarHBondContact O-CB 3.39Å; L75-Y79 PolarHBondContact O-N 3.4Å; Y79-G81 VanDerWaalsContact C-N 3.27Å; Y79-G81 PolarHBondContact O-N 3.06Å
80K91.8Very high86.6Confident126 Ų12689.3 Ų89.355%0.54846%0.461SS..THydrogen-bonded Turntrans-82.90.9177.8-68-175.2-179.8-173.40113.6L76 L78 K82L76-K80 HydrophobicContact CD2-CD 3.77Å; L76-K80 HydrophobicContact CD2-CG 4.45Å; L76-K80 WeakPolarHBondContact O-CB 3.44Å; L76-K80 WeakPolarHBondContact O-CG 3.49Å; L76-K80 PolarHBondContact O-N 2.85Å; L76-K80 VanDerWaalsContact O-N 3.1Å; L78-K80 VanDerWaalsContact C-N 3.31Å; L78-K80 PolarHBondContact O-N 2.92Å; K80-K82 HydrophobicContact CB-CG 4.09Å; K80-K82 PolarHBondContact O-N 3.32Å
81G88.3Confident86.3Confident63 Ų6394.2 Ų94.265%0.64949%0.486SS*.THydrogen-bonded Turntrans63.618.4-175.900000114.4A77 L78 Y79 K83A77-G81 PolarHBondContact O-N 2.86Å; L78-G81 PolarHBondContact O-N 2.73Å; Y79-G81 VanDerWaalsContact C-N 3.27Å; Y79-G81 PolarHBondContact O-N 3.06Å; G81-K83 VanDerWaalsContact C-N 3.34Å
82K91.1Very high86.1Confident166 Ų16698.4 Ų98.472%0.72250%0.503SS*.SBendtrans-78.3-23.2179.4-69.4-168.4175-164.80112.8A77 K80A77-K82 PolarHBondContact O-N 2.82Å; K80-K82 HydrophobicContact CB-CG 4.09Å; K80-K82 PolarHBondContact O-N 3.32Å
83K89Confident86Confident129 Ų12995.5 Ų95.556%0.56149%0.486SS*.SBendtrans-138146.9175.2-71.1-168.5171.5-165.60107.6V73 A77 G81V73-K83 HydrophobicContact CG1-CB 3.76Å; V73-K83 HydrophobicContact CG1-CD 3.9Å; V73-K83 HydrophobicContact CG1-CG 4.45Å; A77-K83 HydrophobicContact CB-CB 4.17Å; A77-K83 HydrophobicContact CB-CD 4.35Å; A77-K83 HydrophobicContact CB-CG 4.2Å; A77-K83 PolarHBondContact O-N 2.99Å; G81-K83 VanDerWaalsContact C-N 3.34Å
84E85.9Confident85.7Confident176 Ų176100.7 Ų100.782%0.82251%0.511SS*.PPolyproline II helixtrans-92.7159.3170.6-64.8-175.2167.500110
85R80.1Confident85.2Confident69 Ų69104.8 Ų104.826%0.2653%0.526SS..PPolyproline II helixtrans-67.4129173-170.9173.6174.7-145.4-6.4107.7E40 D43 L78 R87E40-R85 IonicContact OE1-CZ 3.71Å; E40-R85 IonicContact OE1-NH1 2.75Å; E40-R85 PolarHBondContact OE1-NH1 2.81Å; E40-R85 IonicContact OE1-NH2 3.77Å; E40-R85 IonicContact OE2-CZ 3.44Å; E40-R85 IonicContact OE2-NH1 3.24Å; E40-R85 PolarHBondContact OE2-NH1 3.18Å; E40-R85 IonicContact OE2-NH2 2.76Å; E40-R85 PolarHBondContact OE2-NH2 2.79Å; D43-R85 VanDerWaalsContact CG-NH2 3.33Å; D43-R85 IonicContact OD1-NH2 3.4Å; D43-R85 PolarHBondContact OD1-NH2 2.75Å; D43-R85 IonicContact OD2-CZ 3.06Å; D43-R85 IonicContact OD2-NE 3.63Å; D43-R85 IonicContact OD2-NH2 3.87Å; D43-R85 PolarHBondContact OD2-NH2 2.77Å; L78-R85 HydrophobicContact CD2-CB 4.24Å; R85-R87 PolarHBondContact O-N 3Å
86P80.5Confident84.7Confident61 Ų61112.6 Ų112.640%0.39657%0.566SS.*PPolyproline II helixtrans-61.3126.8174.526.3-32.5000107.8A71 V73 S88A71-P86 HydrophobicContact CB-CG 3.93Å; V73-P86 HydrophobicContact CG2-CG 4.2Å; P86-S88 PolarHBondContact O-N 2.86Å
87R71.3Confident84.1Confident252 Ų252114.3 Ų114.395%0.95157%0.573SS**  trans-75.6114.7168.8-72.7179.5176.8171.8-0.4106.9R85R85-R87 PolarHBondContact O-N 3Å
88S59.6Low83.4Confident191 Ų191123.3 Ų123.3100%1.33661%0.613SS**  trans-95.20160.9-72.50000109.3P86P86-S88 PolarHBondContact O-N 2.86Å

Retrieved 88 of 88 residues in 16.1 ms (Link to these results)