A0A3Q0KDH3_SCHMA Loading...

palmitoyl-protein hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KDH3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 227 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
1M39.7Very low85.3Confident232 Ų23289.1 Ų89.1100%1.14350%0.504SS*.  01330-68.2-177.4-169.200107.1N3M1-N3 PolarHBondContact O-N 3.34Å
2A54Low86.3Confident102 Ų10287.8 Ų87.884%0.84351%0.512SS*.  trans-60.5121.9166.600000107.1K4A2-K4 PolarHBondContact O-N 2.81Å
3N67.6Low87.2Confident115 Ų11583.1 Ų83.162%0.61549%0.487SS*.  trans-61.4108.3175.6-85-16.2000107.4M1 L5 K95M1-N3 PolarHBondContact O-N 3.34Å; N3-L5 PolarHBondContact O-N 3.39Å; N3-K95 HydrophobicContact CB-CD 4.06Å
4K90.6Very high87.8Confident190 Ų19086.1 Ų86.183%0.82649%0.486SS*.PPolyproline II helixtrans-58.8126.6179.6-176.6-179.9176.3-176.10108.3A2A2-K4 PolarHBondContact O-N 2.81Å
5L97.1Very high88.3Confident66 Ų6684.3 Ų84.335%0.34648%0.481SS..PPolyproline II helixtrans-65.1147.3173.3-63.9176.4000110N3 K95 F96 A99N3-L5 PolarHBondContact O-N 3.39Å; L5-K95 HydrophobicContact CD2-CB 3.62Å; L5-K95 WeakPolarHBondContact CD2-O 3.41Å; L5-F96 HydrophobicContact CB-CE1 4Å; L5-F96 HydrophobicContact CB-CZ 4.06Å; L5-F96 HydrophobicContact CD1-CD1 4.09Å; L5-F96 HydrophobicContact CD1-CE1 4.13Å; L5-F96 HydrophobicContact CD2-CD1 4.15Å; L5-F96 HydrophobicContact CD2-CD2 4.39Å; L5-F96 HydrophobicContact CD2-CE1 4.32Å; L5-F96 HydrophobicContact CD2-CG 4.2Å; L5-F96 HydrophobicContact CD2-CZ 4.5Å; L5-F96 HydrophobicContact CG-CE1 4.38Å; L5-A99 HydrophobicContact CD1-CB 3.83Å; L5-A99 HydrophobicContact CD2-CB 4.46Å
6L97.7Very high88.8Confident24 Ų2488.2 Ų88.213%0.12649%0.491CS..PPolyproline II helixtrans-58.4153.4165.9-65.4174.5000109.8W69 E92 F96L6-W69 HydrophobicContact CD1-CZ3 4.22Å; L6-E92 HydrophobicContact CD1-CB 4.28Å; L6-E92 HydrophobicContact CD1-CG 4.17Å; L6-F96 HydrophobicContact CB-CE2 4.22Å; L6-F96 HydrophobicContact CB-CZ 4.05Å; L6-F96 WeakPolarHBondContact O-CZ 3.44Å
7P97.8Very high89.2Confident89 Ų8986.8 Ų86.858%0.57848%0.48SS*.PPolyproline II helixtrans-53.7146.5166.6-23.334.8000110.4H52P7-H52 VanDerWaalsContact C-CD2 3.48Å; P7-H52 PolarHBondContact O-CD2 3.33Å; P7-H52 VanDerWaalsContact O-CD2 3.31Å; P7-H52 PolarHBondContact O-N 2.83Å
8A98.5Very high89.7Confident31 Ų3182.6 Ų82.626%0.25646%0.457SS..EExtended strand (participates in β ladder)trans-145145.8177.900000110.5V10 I49 C50 P51 F96A8-V10 HydrophobicContact CB-CG2 4.15Å; A8-I49 HydrophobicContact CB-CG2 3.87Å; A8-C50 WeakPolarHBondContact CA-O 3.19Å; A8-P51 HydrophobicContact CB-CB 4.39Å; A8-P51 HydrophobicContact CB-CG 4.5Å; A8-F96 HydrophobicContact CB-CE1 3.99Å; A8-F96 HydrophobicContact CB-CZ 4.33Å
9A98.5Very high90.1Very high7 Ų778.3 Ų78.36%0.05843%0.433CS..EExtended strand (participates in β ladder)trans-74.4122.8161.200000108S35 C50 H52A9-S35 WeakPolarHBondContact CB-OG 3.4Å; A9-C50 HydrophobicContact CB-CB 4.35Å; A9-C50 PolarHBondContact N-O 3.12Å; A9-C50 PolarHBondContact O-N 3Å; A9-H52 PolarHBondContact N-NE2 3.12Å
10V98.5Very high90.5Very high89 Ų8974.4 Ų74.454%0.53941%0.412SS..EExtended strand (participates in β ladder)trans-122.4125.1-176.7-1790000109.4A8 K47 I48 I49A8-V10 HydrophobicContact CB-CG2 4.15Å; V10-K47 HydrophobicContact CG1-CD 4.25Å; V10-K47 HydrophobicContact CG1-CG 4.29Å; V10-I48 WeakPolarHBondContact CA-O 3.38Å; V10-I49 HydrophobicContact CG2-CG1 4.49Å; V10-I49 HydrophobicContact CG2-CG2 4.49Å
11V98.4Very high90.9Very high35 Ų3570.8 Ų70.821%0.21239%0.392CS..EExtended strand (participates in β ladder)trans-110.2116.3172.3-176.80000107.5K39 K47 I48V11-K39 HydrophobicContact CG1-CB 4.02Å; V11-K39 HydrophobicContact CG2-CB 4.47Å; V11-K47 WeakPolarHBondContact O-CG 3.47Å; V11-I48 HydrophobicContact CB-CB 4.14Å; V11-I48 HydrophobicContact CB-CD1 4.24Å; V11-I48 PolarHBondContact N-O 2.72Å; V11-I48 PolarHBondContact O-N 2.96Å
12A97.9Very high93.8Very high73 Ų7359.8 Ų59.860%0.60334%0.338SS*.  trans-62.8151.6175.400000110.9
13S97.1Very high95.9Very high27 Ų2755 Ų5519%0.18930%0.298CS..  trans-61.3146.5171.359.90000110.6S15 H17 D44 F46S13-S15 WeakPolarHBondContact CB-O 3.33Å; S13-S15 PolarHBondContact OG-O 3.37Å; S13-H17 WeakPolarHBondContact OG-CA 3.41Å; S13-H17 WeakPolarHBondContact OG-CB 3.5Å; S13-H17 PolarHBondContact OG-N 2.75Å; S13-D44 CarbonylContact C-O 3.49Å; S13-D44 WeakPolarHBondContact CB-O 3.38Å; S13-F46 VanDerWaalsContact CA-O 3.25Å; S13-F46 WeakPolarHBondContact CA-O 3.23Å; S13-F46 WeakPolarHBondContact CB-O 3.25Å
14R96.1Very high97.4Very high126 Ų12649.6 Ų49.648%0.47527%0.269SS..SBendtrans-81.1-21177.3-66.4-176.3-65.9-83.34.3112.5K39 V42 D44R14-K39 PolarHBondContact NH1-O 3.01Å; R14-V42 PolarHBondContact NH2-O 3.22Å; R14-D44 HydrophobicContact CB-CB 4.1Å; R14-D44 IonicContact CZ-OD1 3.9Å; R14-D44 PolarHBondContact N-O 3.02Å; R14-D44 IonicContact NE-OD1 2.74Å; R14-D44 PolarHBondContact NE-OD1 3.15Å; R14-D44 IonicContact NH2-OD1 3.73Å; R14-D44 PolarHBondContact NH2-OD1 3.02Å
15S95.5Very high97.8Very high58 Ų5840.6 Ų40.641%0.40623%0.23SC..SBendtrans-122.8-166.417171.10000110.4S13 H17 D44 Y45S13-S15 WeakPolarHBondContact CB-O 3.33Å; S13-S15 PolarHBondContact OG-O 3.37Å; S15-H17 PolarHBondContact O-N 3.41Å; S15-H17 VanDerWaalsContact O-N 3.12Å; S15-D44 PolarHBondContact N-O 3.47Å; S15-D44 PolarHBondContact OG-O 2.66Å; S15-Y45 WeakPolarHBondContact OG-CA 3.34Å; S15-Y45 PolarHBondContact OG-N 2.75Å
16K95.4Very high97.8Very high147 Ų14737.6 Ų37.664%0.63922%0.215SC*.SBendtrans-55119.4177.1-177.3-178.9175.3-171.40109.8S18 Y45K16-S18 PolarHBondContact O-N 2.8Å; K16-Y45 WeakPolarHBondContact O-CB 3.4Å
17H96.9Very high97.8Very high65 Ų6538.8 Ų38.830%0.30122%0.221SC..  trans-62119.1179.7-179.6-148.9000110.1S13 S15 A19 T20 K47 E100 V105S13-H17 WeakPolarHBondContact OG-CA 3.41Å; S13-H17 WeakPolarHBondContact OG-CB 3.5Å; S13-H17 PolarHBondContact OG-N 2.75Å; S15-H17 PolarHBondContact O-N 3.41Å; S15-H17 VanDerWaalsContact O-N 3.12Å; H17-A19 PolarHBondContact CD2-O 3.04Å; H17-A19 PolarHBondContact NE2-O 3.43Å; H17-T20 PolarHBondContact CE1-OG1 2.93Å; H17-T20 PolarHBondContact NE2-OG1 2.68Å; H17-K47 VanDerWaalsContact CE1-CE 3.44Å; H17-K47 WeakPolarHBondContact CE1-CE 3.34Å; H17-K47 PolarHBondContact CE1-NZ 3.28Å; H17-K47 WeakPolarHBondContact NE2-CB 3.34Å; H17-E100 IonicContact CE1-OE2 3.65Å; H17-E100 IonicContact NE2-OE2 2.66Å; H17-V105 WeakPolarHBondContact CE1-CG2 3.3Å
18S96.6Very high97.8Very high11 Ų1136.3 Ų36.38%0.07721%0.212CC..  trans-135.9-8.9176.273.40000113.9K16 Y45 N109 T226K16-S18 PolarHBondContact O-N 2.8Å; S18-Y45 PolarHBondContact N-O 2.66Å; S18-Y45 VanDerWaalsContact N-O 3.08Å; S18-Y45 WeakPolarHBondContact OG-CD2 3.21Å; S18-N109 WeakPolarHBondContact O-CB 3.33Å; S18-N109 PolarHBondContact O-ND2 2.98Å; S18-T226 VanDerWaalsContact CB-OG1 3.23Å; S18-T226 WeakPolarHBondContact CB-OG1 3.48Å
19A98.3Very high97.7Very high0 Ų037.6 Ų37.60%022%0.215CC..EExtended strand (participates in β ladder)trans-145.2157179.800000110.9H17 Y45 F46 K47 N109 I223H17-A19 PolarHBondContact CD2-O 3.04Å; H17-A19 PolarHBondContact NE2-O 3.43Å; A19-Y45 HydrophobicContact CB-CD2 4.04Å; A19-Y45 HydrophobicContact CB-CE2 4.31Å; A19-Y45 PolarHBondContact N-O 2.94Å; A19-F46 HydrophobicContact CB-CD1 3.86Å; A19-F46 HydrophobicContact CB-CD2 3.85Å; A19-F46 HydrophobicContact CB-CE1 3.72Å; A19-F46 HydrophobicContact CB-CE2 3.74Å; A19-F46 HydrophobicContact CB-CG 3.93Å; A19-F46 HydrophobicContact CB-CZ 3.68Å; A19-F46 CarbonylContact O-C 3.57Å; A19-F46 VanDerWaalsContact O-CA 3.3Å; A19-F46 WeakPolarHBondContact O-CA 3.3Å; A19-K47 PolarHBondContact O-N 2.79Å; A19-N109 VanDerWaalsContact CA-O 3.24Å; A19-N109 WeakPolarHBondContact CA-O 3.47Å; A19-N109 HydrophobicContact CB-CB 4.21Å; A19-N109 WeakPolarHBondContact CB-O 3.26Å; A19-I223 HydrophobicContact CB-CG2 3.81Å
20T98.7Very high97.7Very high0 Ų039.8 Ų39.80%023%0.227CC..EExtended strand (participates in β ladder)trans-134.7134.5177.8-60.10000110.8H17 I22 K47 I49 E100 N109 I110 V111H17-T20 PolarHBondContact CE1-OG1 2.93Å; H17-T20 PolarHBondContact NE2-OG1 2.68Å; T20-I22 HydrophobicContact CG2-CG1 4.03Å; T20-K47 CarbonylContact C-O 3.55Å; T20-K47 WeakPolarHBondContact CA-O 3.44Å; T20-K47 HydrophobicContact CG2-CB 4.44Å; T20-I49 HydrophobicContact CG2-CD1 3.91Å; T20-I49 HydrophobicContact CG2-CG1 4.07Å; T20-E100 WeakPolarHBondContact CB-OE2 3.27Å; T20-E100 HydrophobicContact CG2-CG 3.92Å; T20-E100 WeakPolarHBondContact CG2-OE2 3.14Å; T20-E100 PolarHBondContact OG1-OE2 2.96Å; T20-N109 PolarHBondContact N-O 3.31Å; T20-I110 WeakPolarHBondContact O-CA 3.37Å; T20-V111 PolarHBondContact O-N 2.95Å
21L98.8Very high97.6Very high0 Ų035.5 Ų35.50%020%0.202CC..EExtended strand (participates in β ladder)trans-102.7118.6165.7174.262.1000108.7F23 L38 V42 F46 K47 I48 I49 V111L21-F23 HydrophobicContact CD1-CD2 4.46Å; L21-F23 HydrophobicContact CD2-CD2 4.48Å; L21-F23 HydrophobicContact CG-CB 4.27Å; L21-L38 HydrophobicContact CD2-CD1 4.11Å; L21-L38 HydrophobicContact CD2-CD2 3.97Å; L21-V42 HydrophobicContact CD2-CG1 3.77Å; L21-F46 HydrophobicContact CB-CD1 4.07Å; L21-K47 PolarHBondContact N-O 3.23Å; L21-I48 WeakPolarHBondContact O-CA 3.45Å; L21-I49 PolarHBondContact O-N 2.87Å; L21-V111 WeakPolarHBondContact CA-O 3.39Å; L21-V111 HydrophobicContact CD1-CB 3.84Å; L21-V111 HydrophobicContact CD1-CG1 3.61Å
22I98.9Very high97.5Very high0 Ų039 Ų390%022%0.215CC..EExtended strand (participates in β ladder)trans-102.1112.8169.8-54166.5000107.5T20 L24 I49 P51 L93 F96 V97 E100 I110 V111 I112 G113T20-I22 HydrophobicContact CG2-CG1 4.03Å; I22-L24 HydrophobicContact CG2-CD1 4.17Å; I22-I49 CarbonylContact C-O 3.53Å; I22-I49 VanDerWaalsContact CA-O 3.29Å; I22-I49 WeakPolarHBondContact CA-O 3.36Å; I22-I49 HydrophobicContact CG1-CB 4.32Å; I22-I49 HydrophobicContact CG1-CD1 4.49Å; I22-P51 HydrophobicContact CG2-CG 4.17Å; I22-L93 HydrophobicContact CB-CD1 4.17Å; I22-L93 HydrophobicContact CG2-CD1 3.54Å; I22-F96 HydrophobicContact CD1-CB 3.85Å; I22-F96 HydrophobicContact CG2-CB 4.21Å; I22-V97 HydrophobicContact CD1-CB 4.45Å; I22-V97 HydrophobicContact CD1-CG2 3.74Å; I22-E100 HydrophobicContact CD1-CG 4.38Å; I22-I110 HydrophobicContact CD1-CG2 4.11Å; I22-V111 PolarHBondContact N-O 2.92Å; I22-I112 HydrophobicContact CB-CG2 4.46Å; I22-I112 CarbonylContact O-C 3.59Å; I22-I112 WeakPolarHBondContact O-CA 3.29Å; I22-G113 PolarHBondContact O-N 3.24Å
23F98.9Very high97.3Very high1 Ų137.6 Ų37.60%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-123.4121.2-171.4-164.3-80.5000112.2L21 W34 L38 I49 C50 G113 F115 V137 F139L21-F23 HydrophobicContact CD1-CD2 4.46Å; L21-F23 HydrophobicContact CD2-CD2 4.48Å; L21-F23 HydrophobicContact CG-CB 4.27Å; F23-W34 HydrophobicContact CD1-CB 4.05Å; F23-W34 HydrophobicContact CD1-CD2 4.02Å; F23-W34 HydrophobicContact CD1-CE3 4.01Å; F23-W34 HydrophobicContact CD1-CG 4.01Å; F23-W34 HydrophobicContact CE1-CB 4.35Å; F23-W34 AromaticContact CE1-CD2 3.4Å; F23-W34 HydrophobicContact CE1-CD2 3.4Å; F23-W34 AromaticContact CE1-CE3 3.24Å; F23-W34 HydrophobicContact CE1-CE3 3.24Å; F23-W34 AromaticContact CE1-CG 3.87Å; F23-W34 HydrophobicContact CE1-CG 3.87Å; F23-W34 HydrophobicContact CE1-CH2 4.41Å; F23-W34 AromaticContact CE1-CZ3 3.78Å; F23-W34 HydrophobicContact CE1-CZ3 3.78Å; F23-W34 HydrophobicContact CZ-CD2 4.23Å; F23-W34 AromaticContact CZ-CE3 3.65Å; F23-W34 HydrophobicContact CZ-CE3 3.65Å; F23-W34 HydrophobicContact CZ-CH2 4.44Å; F23-W34 AromaticContact CZ-CZ3 3.75Å; F23-W34 HydrophobicContact CZ-CZ3 3.75Å; F23-L38 HydrophobicContact CB-CD1 3.67Å; F23-L38 HydrophobicContact CD1-CD1 3.95Å; F23-L38 HydrophobicContact CD2-CD1 3.95Å; F23-L38 HydrophobicContact CD2-CD2 4.48Å; F23-L38 HydrophobicContact CG-CD1 3.59Å; F23-I49 PolarHBondContact N-O 2.84Å; F23-C50 WeakPolarHBondContact O-CA 3.01Å; F23-G113 CarbonylContact C-O 3.56Å; F23-G113 WeakPolarHBondContact CA-O 3.37Å; F23-F115 HydrophobicContact CE1-CB 3.9Å; F23-F115 HydrophobicContact CZ-CB 4.05Å; F23-V137 HydrophobicContact CE2-CG1 4.03Å; F23-F139 HydrophobicContact CE2-CD2 4.3Å; F23-F139 HydrophobicContact CE2-CE2 4.46Å; F23-F139 AromaticContact CZ-CD2 3.96Å; F23-F139 HydrophobicContact CZ-CD2 3.96Å; F23-F139 HydrophobicContact CZ-CE2 4.44Å; F23-F139 HydrophobicContact CZ-CG 4.38Å
24L98.9Very high97.4Very high2 Ų237.1 Ų37.11%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-95.4132.6-175.3-75.165.1000110.7I22 W69 L93 G113 G114 F115 G118 V121I22-L24 HydrophobicContact CG2-CD1 4.17Å; L24-W69 HydrophobicContact CB-CZ2 3.85Å; L24-W69 HydrophobicContact CD2-CD2 4.17Å; L24-W69 HydrophobicContact CD2-CE3 4.41Å; L24-W69 HydrophobicContact CD2-CZ2 4.29Å; L24-W69 HydrophobicContact CG-CH2 4.22Å; L24-W69 HydrophobicContact CG-CZ2 3.81Å; L24-L93 HydrophobicContact CD1-CD1 3.81Å; L24-L93 HydrophobicContact CD1-CD2 4.14Å; L24-L93 HydrophobicContact CD1-CG 4.42Å; L24-L93 HydrophobicContact CD2-CB 4.42Å; L24-L93 HydrophobicContact CD2-CD2 4.24Å; L24-G113 WeakPolarHBondContact CD1-O 3.47Å; L24-G113 PolarHBondContact N-O 3.08Å; L24-G114 CarbonylContact O-C 3.3Å; L24-G114 WeakPolarHBondContact O-CA 3.45Å; L24-F115 PolarHBondContact O-N 2.84Å; L24-G118 VanDerWaalsContact CB-CA 3.43Å; L24-V121 HydrophobicContact CD2-CB 3.75Å; L24-V121 HydrophobicContact CD2-CG1 3.62Å; L24-V121 HydrophobicContact CD2-CG2 4.45Å
25H98.7Very high97.5Very high1 Ų131.3 Ų31.31%0.00518%0.181CC..PPolyproline II helixtrans-75167.4-179.967.979.1000112.9D29 P51 A53 W69 G118H25-D29 HydrophobicContact CB-CB 4.07Å; H25-D29 PolarHBondContact CE1-O 3.45Å; H25-D29 PolarHBondContact ND1-O 2.65Å; H25-P51 PolarHBondContact CD2-O 3.06Å; H25-P51 VanDerWaalsContact CD2-O 3.28Å; H25-A53 PolarHBondContact NE2-N 3.36Å; H25-W69 AromaticContact CD2-CZ2 3.63Å; H25-W69 AromaticContact NE2-CZ2 3.64Å; H25-W69 PolarHBondContact O-NE1 2.97Å; H25-G118 WeakPolarHBondContact O-CA 3.41Å; H25-G118 PolarHBondContact O-N 3.37Å
26G98.4Very high97.5Very high4 Ų432.4 Ų32.44%0.04118%0.182CC..PPolyproline II helixtrans-79.4173.517400000113.6G28 D29 F115G26-G28 PolarHBondContact O-N 2.87Å; G26-D29 WeakPolarHBondContact O-CB 3.32Å; G26-D29 PolarHBondContact O-N 2.59Å; G26-F115 WeakPolarHBondContact CA-O 3.3Å; G26-F115 PolarHBondContact N-O 2.86Å
27L98.1Very high97.6Very high48 Ų4827.1 Ų27.125%0.25117%0.166SC..THydrogen-bonded Turntrans-53.6131.1177.9172.664.6000111.9D29 V58 M66 A68 I72L27-D29 PolarHBondContact O-N 3.47Å; L27-V58 HydrophobicContact CD1-CG1 4.16Å; L27-V58 HydrophobicContact CD1-CG2 3.85Å; L27-V58 HydrophobicContact CD2-CG1 4.17Å; L27-M66 HydrophobicContact CD1-CG 4Å; L27-M66 HydrophobicContact CD1-SD 3.93Å; L27-M66 HydrophobicContact CG-SD 4.17Å; L27-A68 HydrophobicContact CD1-CB 3.53Å; L27-I72 HydrophobicContact CD2-CD1 4.17Å
28G97.2Very high97.7Very high38 Ų3824 Ų2439%0.39215%0.152SC..THydrogen-bonded Turntrans78.9-7.8176.400000115.3G26 P67G26-G28 PolarHBondContact O-N 2.87Å; G28-P67 WeakPolarHBondContact CA-O 3.24Å; G28-P67 PolarHBondContact N-O 2.74Å
29D96.9Very high97.7Very high58 Ų5827.1 Ų27.131%0.3116%0.163SC..  trans-89.2-173.5-178.7-1645.1000111.8H25 G26 L27 W34 P67H25-D29 HydrophobicContact CB-CB 4.07Å; H25-D29 PolarHBondContact CE1-O 3.45Å; H25-D29 PolarHBondContact ND1-O 2.65Å; G26-D29 WeakPolarHBondContact O-CB 3.32Å; G26-D29 PolarHBondContact O-N 2.59Å; L27-D29 PolarHBondContact O-N 3.47Å; D29-W34 VanDerWaalsContact OD2-CD1 3.3Å; D29-W34 PolarHBondContact OD2-NE1 2.98Å; D29-P67 VanDerWaalsContact O-CB 3.23Å; D29-P67 WeakPolarHBondContact O-CB 3.37Å
30T96.6Very high97.6Very high52 Ų5232.9 Ų32.932%0.31919%0.19SC..  trans-135.1167.1174.672.60000110.5H32T30-H32 PolarHBondContact O-N 3.06Å; T30-H32 PolarHBondContact OG1-N 3.14Å
31G96.4Very high97.5Very high0 Ų034.8 Ų34.80%020%0.198CC..Hα-helixtrans-64.6-16.8173.300000115.5S35 C50 H52G31-S35 VanDerWaalsContact O-CB 3.3Å; G31-S35 WeakPolarHBondContact O-CB 3.42Å; G31-S35 PolarHBondContact O-N 3.2Å; G31-S35 PolarHBondContact O-OG 3.37Å; G31-C50 WeakPolarHBondContact O-CB 3.5Å; G31-H52 PolarHBondContact N-CE1 3.24Å; G31-H52 VanDerWaalsContact N-CE1 3.33Å; G31-H52 PolarHBondContact N-ND1 3.03Å
32H97.6Very high97.4Very high108 Ų10834.9 Ų34.950%0.520%0.199SC..Hα-helixtrans-66.3-52.8-173.7-74.8-62.9000112.5T30 W34 S35 D36 H52T30-H32 PolarHBondContact O-N 3.06Å; T30-H32 PolarHBondContact OG1-N 3.14Å; H32-W34 VanDerWaalsContact C-N 3.28Å; H32-W34 PolarHBondContact O-N 2.94Å; H32-S35 PolarHBondContact O-N 3.4Å; H32-S35 VanDerWaalsContact O-N 3.15Å; H32-S35 PolarHBondContact O-OG 3.14Å; H32-D36 PolarHBondContact O-N 3.46Å; H32-H52 AromaticContact CD2-CE1 3.55Å; H32-H52 AromaticContact NE2-CE1 3.7Å; H32-H52 AromaticContact NE2-NE2 3.78Å
33G94.2Very high97.4Very high43 Ų4335.5 Ų35.544%0.44320%0.203SC..Hα-helixtrans-57.5-41.8-178.200000112.6A37G33-A37 WeakPolarHBondContact O-CB 3.44Å; G33-A37 PolarHBondContact O-N 2.96Å
34W97.7Very high97.3Very high17 Ų1739.4 Ų39.46%0.06422%0.224CC..Hα-helixtrans-69.9-42.7176.4-72.996.2000113F23 D29 H32 D36 A37 L38 F115 F139F23-W34 HydrophobicContact CD1-CB 4.05Å; F23-W34 HydrophobicContact CD1-CD2 4.02Å; F23-W34 HydrophobicContact CD1-CE3 4.01Å; F23-W34 HydrophobicContact CD1-CG 4.01Å; F23-W34 HydrophobicContact CE1-CB 4.35Å; F23-W34 AromaticContact CE1-CD2 3.4Å; F23-W34 HydrophobicContact CE1-CD2 3.4Å; F23-W34 AromaticContact CE1-CE3 3.24Å; F23-W34 HydrophobicContact CE1-CE3 3.24Å; F23-W34 AromaticContact CE1-CG 3.87Å; F23-W34 HydrophobicContact CE1-CG 3.87Å; F23-W34 HydrophobicContact CE1-CH2 4.41Å; F23-W34 AromaticContact CE1-CZ3 3.78Å; F23-W34 HydrophobicContact CE1-CZ3 3.78Å; F23-W34 HydrophobicContact CZ-CD2 4.23Å; F23-W34 AromaticContact CZ-CE3 3.65Å; F23-W34 HydrophobicContact CZ-CE3 3.65Å; F23-W34 HydrophobicContact CZ-CH2 4.44Å; F23-W34 AromaticContact CZ-CZ3 3.75Å; F23-W34 HydrophobicContact CZ-CZ3 3.75Å; D29-W34 VanDerWaalsContact OD2-CD1 3.3Å; D29-W34 PolarHBondContact OD2-NE1 2.98Å; H32-W34 VanDerWaalsContact C-N 3.28Å; H32-W34 PolarHBondContact O-N 2.94Å; W34-D36 VanDerWaalsContact C-N 3.26Å; W34-D36 PolarHBondContact O-N 3Å; W34-A37 PolarHBondContact O-N 2.95Å; W34-L38 HydrophobicContact CB-CD1 4.28Å; W34-L38 WeakPolarHBondContact O-CB 3.36Å; W34-L38 WeakPolarHBondContact O-CD1 2.85Å; W34-L38 WeakPolarHBondContact O-CG 3.33Å; W34-L38 PolarHBondContact O-N 2.67Å; W34-F115 HydrophobicContact CD2-CB 4.41Å; W34-F115 AromaticContact CE2-CG 3.99Å; W34-F115 HydrophobicContact CH2-CB 3.53Å; W34-F115 HydrophobicContact CH2-CD1 4.31Å; W34-F115 AromaticContact CH2-CD2 3.45Å; W34-F115 HydrophobicContact CH2-CD2 3.45Å; W34-F115 VanDerWaalsContact CH2-CD2 3.45Å; W34-F115 HydrophobicContact CH2-CE2 4.21Å; W34-F115 AromaticContact CH2-CG 3.51Å; W34-F115 HydrophobicContact CH2-CG 3.51Å; W34-F115 HydrophobicContact CZ2-CB 3.22Å; W34-F115 AromaticContact CZ2-CD1 3.51Å; W34-F115 HydrophobicContact CZ2-CD1 3.51Å; W34-F115 AromaticContact CZ2-CD2 3.53Å; W34-F115 HydrophobicContact CZ2-CD2 3.53Å; W34-F115 HydrophobicContact CZ2-CE1 4.21Å; W34-F115 HydrophobicContact CZ2-CE2 4.22Å; W34-F115 AromaticContact CZ2-CG 3.12Å; W34-F115 HydrophobicContact CZ2-CG 3.12Å; W34-F115 HydrophobicContact CZ3-CB 4.25Å; W34-F139 HydrophobicContact CH2-CD2 4.37Å; W34-F139 HydrophobicContact CZ3-CD2 4.06Å; W34-F139 HydrophobicContact CZ3-CE2 4.48Å
35S97.9Very high97.2Very high5 Ų541.1 Ų41.14%0.03523%0.23CC..Hα-helixtrans-61.5-37.6177.171.50000112A9 G31 H32 K39A9-S35 WeakPolarHBondContact CB-OG 3.4Å; G31-S35 VanDerWaalsContact O-CB 3.3Å; G31-S35 WeakPolarHBondContact O-CB 3.42Å; G31-S35 PolarHBondContact O-N 3.2Å; G31-S35 PolarHBondContact O-OG 3.37Å; H32-S35 PolarHBondContact O-N 3.4Å; H32-S35 VanDerWaalsContact O-N 3.15Å; H32-S35 PolarHBondContact O-OG 3.14Å; S35-K39 WeakPolarHBondContact O-CB 3.37Å; S35-K39 PolarHBondContact O-N 2.94Å; S35-K39 VanDerWaalsContact O-N 3.15Å
36D96.9Very high97.2Very high81 Ų8141.2 Ų41.243%0.43323%0.23SC..Hα-helixtrans-71.3-39.7177.5-84-39000112.7H32 W34 K39H32-D36 PolarHBondContact O-N 3.46Å; W34-D36 VanDerWaalsContact C-N 3.26Å; W34-D36 PolarHBondContact O-N 3Å; D36-K39 VanDerWaalsContact O-CE 3.3Å; D36-K39 WeakPolarHBondContact O-CE 3.44Å; D36-K39 WeakPolarHBondContact O-CG 3.5Å; D36-K39 IonicContact OD1-NZ 3.1Å; D36-K39 PolarHBondContact OD1-NZ 3.32Å
37A96.8Very high97.2Very high36 Ų3642.6 Ų42.630%0.29824%0.235SC..Hα-helixtrans-68.5-46.4174.300000111.6G33 W34 K39 Y41 M212G33-A37 WeakPolarHBondContact O-CB 3.44Å; G33-A37 PolarHBondContact O-N 2.96Å; W34-A37 PolarHBondContact O-N 2.95Å; A37-K39 PolarHBondContact O-N 2.76Å; A37-Y41 VanDerWaalsContact O-CD2 3.29Å; A37-Y41 WeakPolarHBondContact O-CD2 3.2Å; A37-M212 HydrophobicContact CB-CE 4.35Å
38L98.4Very high97.2Very high0 Ų040.4 Ų40.40%022%0.224CC..Hα-helixtrans-68.2-32.2-174.1-72.2163.7000113.2L21 F23 W34 E40 Y41 V42 I48 M212 L215L21-L38 HydrophobicContact CD2-CD1 4.11Å; L21-L38 HydrophobicContact CD2-CD2 3.97Å; F23-L38 HydrophobicContact CB-CD1 3.67Å; F23-L38 HydrophobicContact CD1-CD1 3.95Å; F23-L38 HydrophobicContact CD2-CD1 3.95Å; F23-L38 HydrophobicContact CD2-CD2 4.48Å; F23-L38 HydrophobicContact CG-CD1 3.59Å; W34-L38 HydrophobicContact CB-CD1 4.28Å; W34-L38 WeakPolarHBondContact O-CB 3.36Å; W34-L38 WeakPolarHBondContact O-CD1 2.85Å; W34-L38 WeakPolarHBondContact O-CG 3.33Å; W34-L38 PolarHBondContact O-N 2.67Å; L38-E40 PolarHBondContact O-N 3.08Å; L38-E40 VanDerWaalsContact O-N 3.08Å; L38-Y41 PolarHBondContact O-N 3.42Å; L38-V42 HydrophobicContact CB-CG1 4.38Å; L38-V42 PolarHBondContact O-N 3.01Å; L38-I48 HydrophobicContact CB-CD1 3.78Å; L38-I48 HydrophobicContact CB-CG2 4.48Å; L38-I48 HydrophobicContact CD1-CG2 4.24Å; L38-M212 HydrophobicContact CD2-CE 3.68Å; L38-M212 HydrophobicContact CG-CE 4.17Å; L38-L215 HydrophobicContact CD2-CD2 3.54Å
39K97.1Very high97.3Very high75 Ų7539 Ų3933%0.32621%0.207SC..THydrogen-bonded Turntrans-56.3-31.3-175.677.3-165.4171-168.70112.7V11 R14 S35 D36 A37 Y41 I48V11-K39 HydrophobicContact CG1-CB 4.02Å; V11-K39 HydrophobicContact CG2-CB 4.47Å; R14-K39 PolarHBondContact NH1-O 3.01Å; S35-K39 WeakPolarHBondContact O-CB 3.37Å; S35-K39 PolarHBondContact O-N 2.94Å; S35-K39 VanDerWaalsContact O-N 3.15Å; D36-K39 VanDerWaalsContact O-CE 3.3Å; D36-K39 WeakPolarHBondContact O-CE 3.44Å; D36-K39 WeakPolarHBondContact O-CG 3.5Å; D36-K39 IonicContact OD1-NZ 3.1Å; D36-K39 PolarHBondContact OD1-NZ 3.32Å; A37-K39 PolarHBondContact O-N 2.76Å; K39-Y41 VanDerWaalsContact C-N 3.35Å; K39-I48 VanDerWaalsContact CA-CD1 3.48Å; K39-I48 HydrophobicContact CB-CD1 4.09Å
40E95.7Very high97.4Very high121 Ų12136.2 Ų36.257%0.56519%0.192SC*.THydrogen-bonded Turntrans-75.8-24.8-179.7-63-173.8173.900112.5L38 R216L38-E40 PolarHBondContact O-N 3.08Å; L38-E40 VanDerWaalsContact O-N 3.08Å; E40-R216 PolarHBondContact O-NH2 2.84Å
41Y97.4Very high97.5Very high41 Ų4133.9 Ų33.916%0.16118%0.178CC..THydrogen-bonded Turntrans-107.4-29.5-169.7-64.4-89.8000114A37 L38 K39 M212 R216A37-Y41 VanDerWaalsContact O-CD2 3.29Å; A37-Y41 WeakPolarHBondContact O-CD2 3.2Å; L38-Y41 PolarHBondContact O-N 3.42Å; K39-Y41 VanDerWaalsContact C-N 3.35Å; Y41-M212 VanDerWaalsContact CD1-C 3.48Å; Y41-M212 HydrophobicContact CD1-CB 3.46Å; Y41-M212 VanDerWaalsContact CD1-CB 3.46Å; Y41-M212 WeakPolarHBondContact CD1-O 3.4Å; Y41-M212 HydrophobicContact CD2-CB 3.68Å; Y41-M212 HydrophobicContact CD2-CE 3.62Å; Y41-M212 HydrophobicContact CD2-CG 4.27Å; Y41-M212 HydrophobicContact CE1-CB 3.56Å; Y41-M212 HydrophobicContact CE2-CB 3.8Å; Y41-M212 HydrophobicContact CE2-CE 4.27Å; Y41-M212 HydrophobicContact CE2-CG 4.26Å; Y41-M212 HydrophobicContact CG-CB 3.52Å; Y41-M212 HydrophobicContact CG-CE 4.13Å; Y41-R216 WeakPolarHBondContact O-CB 3.39Å; Y41-R216 WeakPolarHBondContact O-CG 3.2Å; Y41-R216 PolarHBondContact O-NE 2.93Å
42V97.8Very high97.6Very high2 Ų235.5 Ų35.51%0.01219%0.186CC..SBendtrans-66.2146.1177.1-58.70000111.5R14 L21 L38 F46 I48 L219R14-V42 PolarHBondContact NH2-O 3.22Å; L21-V42 HydrophobicContact CD2-CG1 3.77Å; L38-V42 HydrophobicContact CB-CG1 4.38Å; L38-V42 PolarHBondContact O-N 3.01Å; V42-F46 HydrophobicContact CB-CB 4.05Å; V42-F46 HydrophobicContact CB-CG 4.5Å; V42-F46 HydrophobicContact CG2-CB 4.11Å; V42-I48 HydrophobicContact CB-CD1 4.43Å; V42-I48 HydrophobicContact CB-CG1 4.5Å; V42-I48 HydrophobicContact CG1-CD1 4.04Å; V42-I48 HydrophobicContact CG1-CG1 4.05Å; V42-I48 HydrophobicContact CG2-CD1 3.53Å; V42-I48 HydrophobicContact CG2-CG1 3.82Å; V42-L219 HydrophobicContact CB-CD1 4.26Å; V42-L219 HydrophobicContact CG1-CD1 3.89Å
43P97.7Very high97.6Very high13 Ų1330.9 Ų30.98%0.08417%0.166CC..  trans-59.3152.4173.8-21.431.8000112.6Y45 F46 L219P43-Y45 HydrophobicContact CB-CD1 4Å; P43-Y45 HydrophobicContact CB-CE1 3.45Å; P43-Y45 VanDerWaalsContact CB-CE1 3.45Å; P43-Y45 HydrophobicContact CB-CE2 4.21Å; P43-Y45 HydrophobicContact CG-CE1 4.44Å; P43-Y45 PolarHBondContact O-N 2.83Å; P43-F46 HydrophobicContact CB-CD2 3.82Å; P43-F46 HydrophobicContact CB-CE2 4.16Å; P43-F46 HydrophobicContact CG-CD2 3.83Å; P43-F46 HydrophobicContact CG-CE2 3.8Å; P43-F46 WeakPolarHBondContact O-CB 3.19Å; P43-F46 PolarHBondContact O-N 3.36Å; P43-L219 HydrophobicContact CG-CB 4.1Å
44D96.9Very high97.8Very high83 Ų8333.4 Ų33.444%0.44417%0.169SC..THydrogen-bonded Turntrans-58.4-26.8-171.2-68.3-12.7000114.9S13 R14 S15 F46S13-D44 CarbonylContact C-O 3.49Å; S13-D44 WeakPolarHBondContact CB-O 3.38Å; R14-D44 HydrophobicContact CB-CB 4.1Å; R14-D44 IonicContact CZ-OD1 3.9Å; R14-D44 PolarHBondContact N-O 3.02Å; R14-D44 IonicContact NE-OD1 2.74Å; R14-D44 PolarHBondContact NE-OD1 3.15Å; R14-D44 IonicContact NH2-OD1 3.73Å; R14-D44 PolarHBondContact NH2-OD1 3.02Å; S15-D44 PolarHBondContact N-O 3.47Å; S15-D44 PolarHBondContact OG-O 2.66Å; D44-F46 VanDerWaalsContact C-N 3.3Å
45Y96.9Very high97.8Very high37 Ų3736.7 Ų36.715%0.14520%0.195CC..THydrogen-bonded Turntrans-86.41.3-17953.2-93.1000113.6S15 K16 S18 A19 P43 I223 G225S15-Y45 WeakPolarHBondContact OG-CA 3.34Å; S15-Y45 PolarHBondContact OG-N 2.75Å; K16-Y45 WeakPolarHBondContact O-CB 3.4Å; S18-Y45 PolarHBondContact N-O 2.66Å; S18-Y45 VanDerWaalsContact N-O 3.08Å; S18-Y45 WeakPolarHBondContact OG-CD2 3.21Å; A19-Y45 HydrophobicContact CB-CD2 4.04Å; A19-Y45 HydrophobicContact CB-CE2 4.31Å; A19-Y45 PolarHBondContact N-O 2.94Å; P43-Y45 HydrophobicContact CB-CD1 4Å; P43-Y45 HydrophobicContact CB-CE1 3.45Å; P43-Y45 VanDerWaalsContact CB-CE1 3.45Å; P43-Y45 HydrophobicContact CB-CE2 4.21Å; P43-Y45 HydrophobicContact CG-CE1 4.44Å; P43-Y45 PolarHBondContact O-N 2.83Å; Y45-I223 VanDerWaalsContact CE2-O 3.29Å; Y45-I223 WeakPolarHBondContact CE2-O 3.43Å; Y45-I223 PolarHBondContact OH-O 3.34Å; Y45-G225 VanDerWaalsContact CZ-N 3.26Å; Y45-G225 PolarHBondContact OH-N 3.43Å
46F98.5Very high97.8Very high3 Ų338.9 Ų38.91%0.01321%0.205CC..EExtended strand (participates in β ladder)trans-87.5132.1173.5-83.5-106.6000111.8S13 A19 L21 V42 P43 D44 V111 L219 I223S13-F46 VanDerWaalsContact CA-O 3.25Å; S13-F46 WeakPolarHBondContact CA-O 3.23Å; S13-F46 WeakPolarHBondContact CB-O 3.25Å; A19-F46 HydrophobicContact CB-CD1 3.86Å; A19-F46 HydrophobicContact CB-CD2 3.85Å; A19-F46 HydrophobicContact CB-CE1 3.72Å; A19-F46 HydrophobicContact CB-CE2 3.74Å; A19-F46 HydrophobicContact CB-CG 3.93Å; A19-F46 HydrophobicContact CB-CZ 3.68Å; A19-F46 CarbonylContact O-C 3.57Å; A19-F46 VanDerWaalsContact O-CA 3.3Å; A19-F46 WeakPolarHBondContact O-CA 3.3Å; L21-F46 HydrophobicContact CB-CD1 4.07Å; V42-F46 HydrophobicContact CB-CB 4.05Å; V42-F46 HydrophobicContact CB-CG 4.5Å; V42-F46 HydrophobicContact CG2-CB 4.11Å; P43-F46 HydrophobicContact CB-CD2 3.82Å; P43-F46 HydrophobicContact CB-CE2 4.16Å; P43-F46 HydrophobicContact CG-CD2 3.83Å; P43-F46 HydrophobicContact CG-CE2 3.8Å; P43-F46 WeakPolarHBondContact O-CB 3.19Å; P43-F46 PolarHBondContact O-N 3.36Å; D44-F46 VanDerWaalsContact C-N 3.3Å; F46-V111 HydrophobicContact CE1-CG2 4.13Å; F46-L219 HydrophobicContact CE1-CD2 4.02Å; F46-L219 HydrophobicContact CE2-CB 4.31Å; F46-L219 HydrophobicContact CZ-CB 4.06Å; F46-L219 HydrophobicContact CZ-CD2 4.08Å; F46-L219 HydrophobicContact CZ-CG 4.49Å; F46-I223 HydrophobicContact CE1-CD1 4.23Å; F46-I223 HydrophobicContact CE2-CB 4.46Å; F46-I223 HydrophobicContact CE2-CG2 4.47Å; F46-I223 HydrophobicContact CZ-CB 3.97Å; F46-I223 HydrophobicContact CZ-CD1 3.86Å; F46-I223 HydrophobicContact CZ-CG1 4.48Å; F46-I223 HydrophobicContact CZ-CG2 4.1Å
47K98.5Very high97.9Very high34 Ų3438.7 Ų38.715%0.14821%0.209CC..EExtended strand (participates in β ladder)trans-84.9142.5155.8-178.5172.462.7-177.30109.1V10 V11 H17 A19 T20 L21 I49 E100V10-K47 HydrophobicContact CG1-CD 4.25Å; V10-K47 HydrophobicContact CG1-CG 4.29Å; V11-K47 WeakPolarHBondContact O-CG 3.47Å; H17-K47 VanDerWaalsContact CE1-CE 3.44Å; H17-K47 WeakPolarHBondContact CE1-CE 3.34Å; H17-K47 PolarHBondContact CE1-NZ 3.28Å; H17-K47 WeakPolarHBondContact NE2-CB 3.34Å; A19-K47 PolarHBondContact O-N 2.79Å; T20-K47 CarbonylContact C-O 3.55Å; T20-K47 WeakPolarHBondContact CA-O 3.44Å; T20-K47 HydrophobicContact CG2-CB 4.44Å; L21-K47 PolarHBondContact N-O 3.23Å; K47-I49 HydrophobicContact CG-CG1 4.43Å; K47-E100 VanDerWaalsContact CE-CD 3.41Å; K47-E100 WeakPolarHBondContact CE-OE1 3.44Å; K47-E100 WeakPolarHBondContact CE-OE2 3.29Å; K47-E100 IonicContact NZ-OE1 2.75Å; K47-E100 PolarHBondContact NZ-OE1 3.15Å; K47-E100 IonicContact NZ-OE2 3.24Å; K47-E100 PolarHBondContact NZ-OE2 2.57Å
48I98.8Very high98Very high1 Ų137 Ų371%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-108133.6172-56.3160000108.9V10 V11 L21 L38 K39 V42 C50V10-I48 WeakPolarHBondContact CA-O 3.38Å; V11-I48 HydrophobicContact CB-CB 4.14Å; V11-I48 HydrophobicContact CB-CD1 4.24Å; V11-I48 PolarHBondContact N-O 2.72Å; V11-I48 PolarHBondContact O-N 2.96Å; L21-I48 WeakPolarHBondContact O-CA 3.45Å; L38-I48 HydrophobicContact CB-CD1 3.78Å; L38-I48 HydrophobicContact CB-CG2 4.48Å; L38-I48 HydrophobicContact CD1-CG2 4.24Å; K39-I48 VanDerWaalsContact CA-CD1 3.48Å; K39-I48 HydrophobicContact CB-CD1 4.09Å; V42-I48 HydrophobicContact CB-CD1 4.43Å; V42-I48 HydrophobicContact CB-CG1 4.5Å; V42-I48 HydrophobicContact CG1-CD1 4.04Å; V42-I48 HydrophobicContact CG1-CG1 4.05Å; V42-I48 HydrophobicContact CG2-CD1 3.53Å; V42-I48 HydrophobicContact CG2-CG1 3.82Å; I48-C50 VanDerWaalsContact CG2-SG 3.6Å
49I98.8Very high98Very high9 Ų940.5 Ų40.55%0.04622%0.216CC..EExtended strand (participates in β ladder)trans-124119.9170.2-57178.6000107.6A8 V10 T20 L21 I22 F23 K47 P51 F96 E100A8-I49 HydrophobicContact CB-CG2 3.87Å; V10-I49 HydrophobicContact CG2-CG1 4.49Å; V10-I49 HydrophobicContact CG2-CG2 4.49Å; T20-I49 HydrophobicContact CG2-CD1 3.91Å; T20-I49 HydrophobicContact CG2-CG1 4.07Å; L21-I49 PolarHBondContact O-N 2.87Å; I22-I49 CarbonylContact C-O 3.53Å; I22-I49 VanDerWaalsContact CA-O 3.29Å; I22-I49 WeakPolarHBondContact CA-O 3.36Å; I22-I49 HydrophobicContact CG1-CB 4.32Å; I22-I49 HydrophobicContact CG1-CD1 4.49Å; F23-I49 PolarHBondContact N-O 2.84Å; K47-I49 HydrophobicContact CG-CG1 4.43Å; I49-P51 HydrophobicContact CG2-CG 4.1Å; I49-P51 WeakPolarHBondContact O-CD 3.45Å; I49-F96 HydrophobicContact CG2-CD1 3.75Å; I49-F96 HydrophobicContact CG2-CE1 4.01Å; I49-E100 HydrophobicContact CD1-CG 3.92Å; I49-E100 WeakPolarHBondContact CD1-OE1 3.42Å
50C98.8Very high98Very high0 Ų040 Ų400%022%0.217CC..EExtended strand (participates in β ladder)trans-118.591.9173.9-65.40000109.2A8 A9 F23 G31 I48A8-C50 WeakPolarHBondContact CA-O 3.19Å; A9-C50 HydrophobicContact CB-CB 4.35Å; A9-C50 PolarHBondContact N-O 3.12Å; A9-C50 PolarHBondContact O-N 3Å; F23-C50 WeakPolarHBondContact O-CA 3.01Å; G31-C50 WeakPolarHBondContact O-CB 3.5Å; I48-C50 VanDerWaalsContact CG2-SG 3.6Å
51P98.7Very high98.1Very high2 Ų236.8 Ų36.81%0.01320%0.203CC..EExtended strand (participates in β ladder)trans-62.1150.3179.6-22.636000112.4A8 I22 H25 I49 W69 F96A8-P51 HydrophobicContact CB-CB 4.39Å; A8-P51 HydrophobicContact CB-CG 4.5Å; I22-P51 HydrophobicContact CG2-CG 4.17Å; H25-P51 PolarHBondContact CD2-O 3.06Å; H25-P51 VanDerWaalsContact CD2-O 3.28Å; I49-P51 HydrophobicContact CG2-CG 4.1Å; I49-P51 WeakPolarHBondContact O-CD 3.45Å; P51-W69 HydrophobicContact CB-CH2 3.86Å; P51-W69 WeakPolarHBondContact O-CH2 3.32Å; P51-F96 HydrophobicContact CB-CD2 4.21Å; P51-F96 HydrophobicContact CB-CE1 4.27Å; P51-F96 HydrophobicContact CB-CE2 3.5Å; P51-F96 HydrophobicContact CB-CZ 3.53Å; P51-F96 HydrophobicContact CG-CD1 4.11Å; P51-F96 HydrophobicContact CG-CD2 3.68Å; P51-F96 HydrophobicContact CG-CE1 3.91Å; P51-F96 HydrophobicContact CG-CE2 3.47Å; P51-F96 VanDerWaalsContact CG-CE2 3.47Å; P51-F96 HydrophobicContact CG-CG 4Å; P51-F96 HydrophobicContact CG-CZ 3.58Å
52H98.3Very high98.1Very high35 Ų3538.4 Ų38.416%0.16223%0.233CC..PPolyproline II helixtrans-96.4122172.4-58.7-72.2000109.5P7 A9 G31 H32P7-H52 VanDerWaalsContact C-CD2 3.48Å; P7-H52 PolarHBondContact O-CD2 3.33Å; P7-H52 VanDerWaalsContact O-CD2 3.31Å; P7-H52 PolarHBondContact O-N 2.83Å; A9-H52 PolarHBondContact N-NE2 3.12Å; G31-H52 PolarHBondContact N-CE1 3.24Å; G31-H52 VanDerWaalsContact N-CE1 3.33Å; G31-H52 PolarHBondContact N-ND1 3.03Å; H32-H52 AromaticContact CD2-CE1 3.55Å; H32-H52 AromaticContact NE2-CE1 3.7Å; H32-H52 AromaticContact NE2-NE2 3.78Å
53A98.3Very high98.1Very high10 Ų1040 Ų408%0.08325%0.25CS..PPolyproline II helixtrans-64.4150.3170.800000110.9H25 P67 W69H25-A53 PolarHBondContact NE2-N 3.36Å; A53-P67 HydrophobicContact CB-CB 4.45Å; A53-W69 HydrophobicContact CB-CD2 3.8Å; A53-W69 HydrophobicContact CB-CE3 3.8Å; A53-W69 HydrophobicContact CB-CG 4.37Å; A53-W69 HydrophobicContact CB-CH2 3.95Å; A53-W69 HydrophobicContact CB-CZ2 4.02Å; A53-W69 HydrophobicContact CB-CZ3 3.87Å
54N97.5Very high98.1Very high97 Ų9745 Ų4552%0.51927%0.273SS..PPolyproline II helixtrans-66.3153.4170.6-70.6-42.6000110.4I56 P67 A68N54-I56 PolarHBondContact O-N 2.91Å; N54-P67 WeakPolarHBondContact O-CA 3.48Å; N54-A68 PolarHBondContact O-N 3.32Å; N54-A68 VanDerWaalsContact O-N 3.15Å
55S98.3Very high98.1Very high86 Ų8645.5 Ų45.560%0.60128%0.282SS*.EExtended strand (participates in β ladder)trans-76.8117.8169.7-66.60000110.1M66S55-M66 WeakPolarHBondContact CA-O 3.37Å
56I98.5Very high98.2Very high50 Ų5045.3 Ų45.326%0.25628%0.283SS..EExtended strand (participates in β ladder)trans-129.6155.1178.662171000109.7N54 C65 M66 A68N54-I56 PolarHBondContact O-N 2.91Å; I56-C65 WeakPolarHBondContact O-CA 3.46Å; I56-M66 PolarHBondContact N-O 3.3Å; I56-M66 PolarHBondContact O-N 3.14Å; I56-M66 VanDerWaalsContact O-N 3.12Å; I56-A68 HydrophobicContact CD1-CB 3.96Å; I56-A68 HydrophobicContact CG1-CB 3.75Å
57P98.3Very high98.2Very high77 Ų7746.5 Ų46.550%0.529%0.291SS..EExtended strand (participates in β ladder)trans-64.3137.1172.127.4-34.9000110.6
58V98.6Very high98.2Very high0 Ų045 Ų450%029%0.286CS..EExtended strand (participates in β ladder)trans-118.1114.7-179.4178.90000110.3L27 L60 N61 G63 M64 M66 A68 D71L27-V58 HydrophobicContact CD1-CG1 4.16Å; L27-V58 HydrophobicContact CD1-CG2 3.85Å; L27-V58 HydrophobicContact CD2-CG1 4.17Å; V58-L60 HydrophobicContact CG1-CB 4.23Å; V58-L60 PolarHBondContact O-N 2.87Å; V58-N61 HydrophobicContact CB-CB 4.4Å; V58-N61 HydrophobicContact CG1-CB 4.33Å; V58-N61 CarbonylContact O-C 3.58Å; V58-N61 PolarHBondContact O-N 2.86Å; V58-G63 WeakPolarHBondContact O-CA 3.33Å; V58-G63 PolarHBondContact O-N 3.2Å; V58-M64 PolarHBondContact N-O 2.83Å; V58-M66 HydrophobicContact CG2-CG 3.83Å; V58-M66 HydrophobicContact CG2-SD 4.39Å; V58-A68 HydrophobicContact CG2-CB 3.82Å; V58-D71 WeakPolarHBondContact CA-OD1 3.34Å
59T98.4Very high98.2Very high74 Ų7446 Ų4645%0.45429%0.289SS..G310 helixtrans-60.3-43.6-174.8-67.10000112.4N61 G62 D71 Y73T59-N61 PolarHBondContact O-N 3.49Å; T59-N61 VanDerWaalsContact O-N 3.1Å; T59-G62 PolarHBondContact O-N 3.05Å; T59-D71 WeakPolarHBondContact CB-OD2 3.29Å; T59-D71 PolarHBondContact N-OD1 2.83Å; T59-D71 PolarHBondContact OG1-OD2 3.27Å; T59-Y73 HydrophobicContact CG2-CD1 4.04Å
60L97.1Very high98.2Very high65 Ų6545.9 Ų45.934%0.3429%0.288SS..G310 helixtrans-52.8-34.1176.1179.373.7000111.6V58 I72 L75V58-L60 HydrophobicContact CG1-CB 4.23Å; V58-L60 PolarHBondContact O-N 2.87Å; L60-I72 WeakPolarHBondContact CA-O 3.48Å; L60-I72 HydrophobicContact CB-CB 4.25Å; L60-I72 HydrophobicContact CB-CG2 4.13Å; L60-I72 WeakPolarHBondContact CB-O 3.33Å; L60-I72 HydrophobicContact CD2-CB 4.47Å; L60-I72 HydrophobicContact CD2-CG2 3.92Å; L60-I72 PolarHBondContact N-O 2.85Å; L60-L75 HydrophobicContact CD2-CD1 3.8Å; L60-L75 HydrophobicContact CD2-CG 3.86Å
61N97.3Very high98.2Very high53 Ų5347 Ų4728%0.28330%0.295SS..G310 helixtrans-101.331-177.7-67.1-17.3000111.9V58 T59 G63 M64 M66V58-N61 HydrophobicContact CB-CB 4.4Å; V58-N61 HydrophobicContact CG1-CB 4.33Å; V58-N61 CarbonylContact O-C 3.58Å; V58-N61 PolarHBondContact O-N 2.86Å; T59-N61 PolarHBondContact O-N 3.49Å; T59-N61 VanDerWaalsContact O-N 3.1Å; N61-G63 PolarHBondContact O-N 3.41Å; N61-M64 HydrophobicContact CB-CE 3.94Å; N61-M64 WeakPolarHBondContact O-CE 3.38Å; N61-M64 WeakPolarHBondContact O-CG 3.42Å; N61-M64 PolarHBondContact O-N 3.31Å; N61-M66 HydrophobicContact CB-CE 3.71Å; N61-M66 VanDerWaalsContact ND2-CE 3.3Å; N61-M66 WeakPolarHBondContact ND2-CE 3.45Å; N61-M66 PolarHBondContact ND2-SD 3.24Å
62G97.4Very high98.1Very high75 Ų7547.4 Ų47.477%0.77330%0.296SS*.THydrogen-bonded Turntrans65.923.5175.900000114.4T59T59-G62 PolarHBondContact O-N 3.05Å
63G97.7Very high98.1Very high37 Ų3749.2 Ų49.238%0.38130%0.302SS..THydrogen-bonded Turntrans83.68.3-179.300000114.7V58 N61 C65V58-G63 WeakPolarHBondContact O-CA 3.33Å; V58-G63 PolarHBondContact O-N 3.2Å; N61-G63 PolarHBondContact O-N 3.41Å; G63-C65 PolarHBondContact O-N 2.88Å
64M97.9Very high97.9Very high116 Ų11650.9 Ų50.957%0.57132%0.316SS*.EExtended strand (participates in β ladder)trans-60.2135173.5-70.4-169.9-66.700111V58 N61 M66V58-M64 PolarHBondContact N-O 2.83Å; N61-M64 HydrophobicContact CB-CE 3.94Å; N61-M64 WeakPolarHBondContact O-CE 3.38Å; N61-M64 WeakPolarHBondContact O-CG 3.42Å; N61-M64 PolarHBondContact O-N 3.31Å; M64-M66 HydrophobicContact CB-CE 3.7Å; M64-M66 HydrophobicContact CE-CE 4.41Å
65C98.3Very high97.6Very high94 Ų9449.1 Ų49.164%0.63531%0.306SS*.EExtended strand (participates in β ladder)trans-80.4127.4176.7-690000111.2I56 G63I56-C65 WeakPolarHBondContact O-CA 3.46Å; G63-C65 PolarHBondContact O-N 2.88Å
66M98.4Very high97.2Very high33 Ų3348 Ų4816%0.16330%0.298CS..EExtended strand (participates in β ladder)trans-155.9163.9176.762.8-165.771.800110.6L27 S55 I56 V58 N61 M64 A68L27-M66 HydrophobicContact CD1-CG 4Å; L27-M66 HydrophobicContact CD1-SD 3.93Å; L27-M66 HydrophobicContact CG-SD 4.17Å; S55-M66 WeakPolarHBondContact CA-O 3.37Å; I56-M66 PolarHBondContact N-O 3.3Å; I56-M66 PolarHBondContact O-N 3.14Å; I56-M66 VanDerWaalsContact O-N 3.12Å; V58-M66 HydrophobicContact CG2-CG 3.83Å; V58-M66 HydrophobicContact CG2-SD 4.39Å; N61-M66 HydrophobicContact CB-CE 3.71Å; N61-M66 VanDerWaalsContact ND2-CE 3.3Å; N61-M66 WeakPolarHBondContact ND2-CE 3.45Å; N61-M66 PolarHBondContact ND2-SD 3.24Å; M64-M66 HydrophobicContact CB-CE 3.7Å; M64-M66 HydrophobicContact CE-CE 4.41Å; M66-A68 PolarHBondContact O-N 3.31Å; M66-A68 VanDerWaalsContact O-N 3.12Å
67P98.4Very high96.6Very high28 Ų2850 Ų5018%0.18231%0.307CS..EExtended strand (participates in β ladder)trans-55.7117.5173.7-25.735.4000111.2G28 D29 A53 N54G28-P67 WeakPolarHBondContact CA-O 3.24Å; G28-P67 PolarHBondContact N-O 2.74Å; D29-P67 VanDerWaalsContact O-CB 3.23Å; D29-P67 WeakPolarHBondContact O-CB 3.37Å; A53-P67 HydrophobicContact CB-CB 4.45Å; N54-P67 WeakPolarHBondContact O-CA 3.48Å
68A98.7Very high96.1Very high4 Ų452.6 Ų52.63%0.03332%0.316CS..  trans-151.6142.4177.900000110.6L27 N54 I56 V58 M66L27-A68 HydrophobicContact CD1-CB 3.53Å; N54-A68 PolarHBondContact O-N 3.32Å; N54-A68 VanDerWaalsContact O-N 3.15Å; I56-A68 HydrophobicContact CD1-CB 3.96Å; I56-A68 HydrophobicContact CG1-CB 3.75Å; V58-A68 HydrophobicContact CG2-CB 3.82Å; M66-A68 PolarHBondContact O-N 3.31Å; M66-A68 VanDerWaalsContact O-N 3.12Å
69W98.8Very high95.8Very high21 Ų2153.4 Ų53.48%0.0832%0.323CS..SBendtrans-74-34.3179.1-61.5108.4000112.4L6 L24 H25 P51 A53 A89 Q117 V121L6-W69 HydrophobicContact CD1-CZ3 4.22Å; L24-W69 HydrophobicContact CB-CZ2 3.85Å; L24-W69 HydrophobicContact CD2-CD2 4.17Å; L24-W69 HydrophobicContact CD2-CE3 4.41Å; L24-W69 HydrophobicContact CD2-CZ2 4.29Å; L24-W69 HydrophobicContact CG-CH2 4.22Å; L24-W69 HydrophobicContact CG-CZ2 3.81Å; H25-W69 AromaticContact CD2-CZ2 3.63Å; H25-W69 AromaticContact NE2-CZ2 3.64Å; H25-W69 PolarHBondContact O-NE1 2.97Å; P51-W69 HydrophobicContact CB-CH2 3.86Å; P51-W69 WeakPolarHBondContact O-CH2 3.32Å; A53-W69 HydrophobicContact CB-CD2 3.8Å; A53-W69 HydrophobicContact CB-CE3 3.8Å; A53-W69 HydrophobicContact CB-CG 4.37Å; A53-W69 HydrophobicContact CB-CH2 3.95Å; A53-W69 HydrophobicContact CB-CZ2 4.02Å; A53-W69 HydrophobicContact CB-CZ3 3.87Å; W69-A89 HydrophobicContact CB-CB 3.83Å; W69-A89 WeakPolarHBondContact O-CB 3.49Å; W69-Q117 HydrophobicContact CB-CG 4.3Å; W69-V121 HydrophobicContact CB-CG2 3.74Å; W69-V121 HydrophobicContact CG-CG2 4.03Å
70Y98.7Very high95.7Very high7 Ų757.6 Ų57.63%0.02734%0.335CS..SBendtrans-156.6166.1178.556.2-94000109.4I72 I86 Q117 S120 V121 W142Y70-I72 HydrophobicContact CD2-CG1 4.46Å; Y70-I72 HydrophobicContact CE2-CG1 4.15Å; Y70-I86 HydrophobicContact CD1-CB 4.45Å; Y70-I86 HydrophobicContact CD1-CG1 3.68Å; Y70-I86 HydrophobicContact CD2-CD1 4.17Å; Y70-I86 HydrophobicContact CD2-CG1 3.58Å; Y70-I86 HydrophobicContact CE1-CG1 3.85Å; Y70-I86 HydrophobicContact CE2-CD1 4.11Å; Y70-I86 HydrophobicContact CE2-CG1 3.78Å; Y70-I86 HydrophobicContact CG-CG1 3.54Å; Y70-Q117 HydrophobicContact CD1-CG 4.07Å; Y70-Q117 HydrophobicContact CE1-CG 3.47Å; Y70-Q117 VanDerWaalsContact CE1-CG 3.47Å; Y70-Q117 HydrophobicContact CE2-CG 4.29Å; Y70-Q117 PolarHBondContact O-NE2 3.22Å; Y70-S120 WeakPolarHBondContact OH-CB 3.43Å; Y70-V121 HydrophobicContact CD1-CG2 3.85Å; Y70-V121 HydrophobicContact CE1-CG2 3.63Å; Y70-W142 WeakPolarHBondContact OH-CZ2 3.29Å
71D98.4Very high95.7Very high24 Ų2456.5 Ų56.513%0.12833%0.328CS..  trans-74.5138.8178.5-166.35.3000111.4V58 T59 Y73 D82V58-D71 WeakPolarHBondContact CA-OD1 3.34Å; T59-D71 WeakPolarHBondContact CB-OD2 3.29Å; T59-D71 PolarHBondContact N-OD1 2.83Å; T59-D71 PolarHBondContact OG1-OD2 3.27Å; D71-Y73 HydrophobicContact CB-CE1 3.99Å; D71-Y73 WeakPolarHBondContact OD2-CE1 3.41Å; D71-D82 HydrophobicContact CB-CB 4.13Å; D71-D82 PolarHBondContact N-OD2 3.01Å; D71-D82 VanDerWaalsContact O-CB 3.26Å; D71-D82 WeakPolarHBondContact O-CB 3.5Å
72I97.7Very high95.7Very high10 Ų1055.4 Ų55.45%0.05132%0.322CS..  trans-108119.2173.3-57.2-171.3000107.6L27 L60 Y70 L75 Q117 W142L27-I72 HydrophobicContact CD2-CD1 4.17Å; L60-I72 WeakPolarHBondContact CA-O 3.48Å; L60-I72 HydrophobicContact CB-CB 4.25Å; L60-I72 HydrophobicContact CB-CG2 4.13Å; L60-I72 WeakPolarHBondContact CB-O 3.33Å; L60-I72 HydrophobicContact CD2-CB 4.47Å; L60-I72 HydrophobicContact CD2-CG2 3.92Å; L60-I72 PolarHBondContact N-O 2.85Å; Y70-I72 HydrophobicContact CD2-CG1 4.46Å; Y70-I72 HydrophobicContact CE2-CG1 4.15Å; I72-L75 HydrophobicContact CD1-CD2 4.21Å; I72-L75 HydrophobicContact CG2-CD2 3.72Å; I72-L75 HydrophobicContact CG2-CG 4.11Å; I72-Q117 HydrophobicContact CD1-CG 4.4Å; I72-W142 HydrophobicContact CD1-CH2 4.26Å
73Y97.5Very high95.8Very high73 Ų7354.2 Ų54.229%0.28630%0.297SS..SBendtrans-86.6-39.6176.9-51.6-37.7000112.3T59 D71 K80 D82T59-Y73 HydrophobicContact CG2-CD1 4.04Å; D71-Y73 HydrophobicContact CB-CE1 3.99Å; D71-Y73 WeakPolarHBondContact OD2-CE1 3.41Å; Y73-K80 HydrophobicContact CD2-CB 3.88Å; Y73-K80 HydrophobicContact CD2-CD 3.82Å; Y73-K80 HydrophobicContact CD2-CG 3.7Å; Y73-K80 VanDerWaalsContact CD2-O 3.27Å; Y73-K80 WeakPolarHBondContact CD2-O 3.44Å; Y73-K80 HydrophobicContact CE2-CD 3.84Å; Y73-K80 HydrophobicContact CE2-CG 3.84Å; Y73-D82 HydrophobicContact CE2-CB 4.31Å
74A95Very high95.8Very high45 Ų4555.9 Ų55.937%0.37231%0.306SS..  trans-159.4152.9175.300000110.2A79A74-A79 HydrophobicContact CB-CB 3.81Å; A74-A79 VanDerWaalsContact O-CB 3.32Å; A74-A79 WeakPolarHBondContact O-CB 3.4Å
75L90.5Very high95.8Very high59 Ų5950.6 Ų50.631%0.30928%0.282SS..  trans-100.481.9174.8-67.2176.2000110.2L60 I72 W142 T174 I175L60-L75 HydrophobicContact CD2-CD1 3.8Å; L60-L75 HydrophobicContact CD2-CG 3.86Å; I72-L75 HydrophobicContact CD1-CD2 4.21Å; I72-L75 HydrophobicContact CG2-CD2 3.72Å; I72-L75 HydrophobicContact CG2-CG 4.11Å; L75-W142 HydrophobicContact CD2-CH2 3.94Å; L75-W142 HydrophobicContact CD2-CZ2 4.28Å; L75-T174 HydrophobicContact CD1-CG2 4.32Å; L75-I175 HydrophobicContact CD1-CD1 4.11Å; L75-I175 HydrophobicContact CD2-CD1 3.84Å; L75-I175 HydrophobicContact CG-CD1 4.46Å
76S90.2Very high95.9Very high62 Ų6246.1 Ų46.143%0.43425%0.252SS..SBendtrans-151.1159.6169.9670000110N78 A79S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.46Å; S76-A79 WeakPolarHBondContact O-CB 3.47Å; S76-A79 PolarHBondContact O-N 3.2Å; S76-A79 PolarHBondContact OG-N 3.43Å
77E84.8Confident95.9Very high94 Ų9448.6 Ų48.644%0.43926%0.261SS..THydrogen-bonded Turntrans-50.6-46-178.6-174.8179.5150.800112.7H146 L182E77-H146 PolarHBondContact O-CE1 2.74Å; E77-L182 HydrophobicContact CG-CD2 3.7Å
78N88.4Confident95.9Very high131 Ų13153 Ų5370%0.70128%0.28SS*.THydrogen-bonded Turntrans-99.612.6-174.7-65-52.8000114.1S76S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.46Å
79A91.4Very high95.9Very high17 Ų1753 Ų5314%0.1428%0.279CS..  trans-59.6145.4176.900000111A74 S76 Q81A74-A79 HydrophobicContact CB-CB 3.81Å; A74-A79 VanDerWaalsContact O-CB 3.32Å; A74-A79 WeakPolarHBondContact O-CB 3.4Å; S76-A79 WeakPolarHBondContact O-CB 3.47Å; S76-A79 PolarHBondContact O-N 3.2Å; S76-A79 PolarHBondContact OG-N 3.43Å; A79-Q81 WeakPolarHBondContact O-CG 3.32Å; A79-Q81 PolarHBondContact O-N 2.86Å
80K96.2Very high95.9Very high162 Ų16252.4 Ų52.470%0.70428%0.278SS*.  trans-56.5140.6163.4-175.2-171.3175-170.50108.2Y73Y73-K80 HydrophobicContact CD2-CB 3.88Å; Y73-K80 HydrophobicContact CD2-CD 3.82Å; Y73-K80 HydrophobicContact CD2-CG 3.7Å; Y73-K80 VanDerWaalsContact CD2-O 3.27Å; Y73-K80 WeakPolarHBondContact CD2-O 3.44Å; Y73-K80 HydrophobicContact CE2-CD 3.84Å; Y73-K80 HydrophobicContact CE2-CG 3.84Å
81Q97.9Very high95.9Very high42 Ų4257.9 Ų57.920%0.19631%0.307CS..  trans-123147.7-178.3-54.9-176.122.800110.7A79 E83 I86 L145A79-Q81 WeakPolarHBondContact O-CG 3.32Å; A79-Q81 PolarHBondContact O-N 2.86Å; Q81-E83 VanDerWaalsContact C-N 3.27Å; Q81-E83 PolarHBondContact O-N 3.15Å; Q81-I86 HydrophobicContact CB-CD1 4.08Å; Q81-L145 HydrophobicContact CB-CD2 3.91Å
82D98.2Very high95.8Very high29 Ų2958.1 Ų58.116%0.15531%0.308CS..  trans-76.675.9173.4179.116.3000110.6D71 Y73 A84 G85 I86D71-D82 HydrophobicContact CB-CB 4.13Å; D71-D82 PolarHBondContact N-OD2 3.01Å; D71-D82 VanDerWaalsContact O-CB 3.26Å; D71-D82 WeakPolarHBondContact O-CB 3.5Å; Y73-D82 HydrophobicContact CE2-CB 4.31Å; D82-A84 PolarHBondContact O-N 3.31Å; D82-G85 PolarHBondContact O-N 3.05Å; D82-G85 PolarHBondContact OD1-N 3.22Å; D82-G85 WeakPolarHBondContact OD2-CA 3.4Å; D82-I86 VanDerWaalsContact O-CD1 3.31Å; D82-I86 WeakPolarHBondContact O-CD1 3.22Å; D82-I86 VanDerWaalsContact O-CG1 3.22Å; D82-I86 WeakPolarHBondContact O-CG1 3.23Å; D82-I86 PolarHBondContact O-N 2.91Å
83E98.1Very high95.9Very high51 Ų5157.8 Ų57.824%0.23831%0.306CS..Hα-helixtrans-56.8-36-178.7173.1173.8-175.800113.2Q81 K87 L145 K148Q81-E83 VanDerWaalsContact C-N 3.27Å; Q81-E83 PolarHBondContact O-N 3.15Å; E83-K87 HydrophobicContact CG-CD 4.25Å; E83-K87 WeakPolarHBondContact O-CG 3.46Å; E83-K87 PolarHBondContact O-N 3.17Å; E83-K87 VanDerWaalsContact O-N 3.12Å; E83-K87 VanDerWaalsContact OE1-CE 3.27Å; E83-K87 WeakPolarHBondContact OE1-CE 3.43Å; E83-K87 IonicContact OE1-NZ 2.57Å; E83-K87 PolarHBondContact OE1-NZ 2.99Å; E83-L145 HydrophobicContact CB-CD1 4.09Å; E83-L145 HydrophobicContact CB-CD2 3.96Å; E83-L145 HydrophobicContact CG-CD1 3.74Å; E83-L145 HydrophobicContact CG-CD2 4.39Å; E83-K148 WeakPolarHBondContact OE1-CE 3.15Å; E83-K148 IonicContact OE1-NZ 3.42Å; E83-K148 PolarHBondContact OE1-NZ 3.48Å; E83-K148 WeakPolarHBondContact OE2-CE 3.47Å; E83-K148 IonicContact OE2-NZ 2.71Å; E83-K148 PolarHBondContact OE2-NZ 3.16Å
84A98.5Very high95.9Very high71 Ų7155.1 Ų55.159%0.58730%0.301SS*.Hα-helixtrans-66.8-49179.800000110.5D82 I86 K87 E88D82-A84 PolarHBondContact O-N 3.31Å; A84-I86 PolarHBondContact O-N 3.3Å; A84-K87 PolarHBondContact O-N 3.46Å; A84-E88 PolarHBondContact O-N 2.91Å
85G98.7Very high96.1Very high6 Ų655.2 Ų55.26%0.06229%0.293CS..Hα-helixtrans-62.7-39.6176.200000112.9D82 K87 E88 A89D82-G85 PolarHBondContact O-N 3.05Å; D82-G85 PolarHBondContact OD1-N 3.22Å; D82-G85 WeakPolarHBondContact OD2-CA 3.4Å; G85-K87 VanDerWaalsContact C-N 3.3Å; G85-K87 PolarHBondContact O-N 3.42Å; G85-E88 PolarHBondContact O-N 3.18Å; G85-A89 WeakPolarHBondContact O-CB 3.22Å; G85-A89 PolarHBondContact O-N 3Å
86I98.8Very high96.5Very high0 Ų052.8 Ų52.80%028%0.28CS..Hα-helixtrans-60.4-42.5177-68.1156.9000110.8Y70 Q81 D82 A84 S90 Y124 P144 L145Y70-I86 HydrophobicContact CD1-CB 4.45Å; Y70-I86 HydrophobicContact CD1-CG1 3.68Å; Y70-I86 HydrophobicContact CD2-CD1 4.17Å; Y70-I86 HydrophobicContact CD2-CG1 3.58Å; Y70-I86 HydrophobicContact CE1-CG1 3.85Å; Y70-I86 HydrophobicContact CE2-CD1 4.11Å; Y70-I86 HydrophobicContact CE2-CG1 3.78Å; Y70-I86 HydrophobicContact CG-CG1 3.54Å; Q81-I86 HydrophobicContact CB-CD1 4.08Å; D82-I86 VanDerWaalsContact O-CD1 3.31Å; D82-I86 WeakPolarHBondContact O-CD1 3.22Å; D82-I86 VanDerWaalsContact O-CG1 3.22Å; D82-I86 WeakPolarHBondContact O-CG1 3.23Å; D82-I86 PolarHBondContact O-N 2.91Å; A84-I86 PolarHBondContact O-N 3.3Å; I86-S90 WeakPolarHBondContact O-CB 3.3Å; I86-S90 PolarHBondContact O-N 3.42Å; I86-Y124 HydrophobicContact CG2-CD1 3.9Å; I86-Y124 HydrophobicContact CG2-CD2 4Å; I86-Y124 HydrophobicContact CG2-CE1 4.31Å; I86-Y124 HydrophobicContact CG2-CE2 4.43Å; I86-Y124 HydrophobicContact CG2-CG 3.73Å; I86-P144 HydrophobicContact CD1-CB 3.93Å; I86-P144 HydrophobicContact CG1-CB 4.5Å; I86-P144 HydrophobicContact CG2-CB 4.32Å; I86-P144 HydrophobicContact CG2-CG 4.07Å; I86-L145 HydrophobicContact CB-CD1 4.5Å; I86-L145 HydrophobicContact CD1-CD1 4.32Å; I86-L145 HydrophobicContact CD1-CD2 4.17Å; I86-L145 HydrophobicContact CD1-CG 4.04Å; I86-L145 HydrophobicContact CG2-CD1 4.2Å
87K98.6Very high96.9Very high84 Ų8449.8 Ų49.837%0.36526%0.259SS..Hα-helixtrans-65.7-42.8175.1-74.6174-174.5174.30111.9E83 A84 G85 S90 L91 Y124E83-K87 HydrophobicContact CG-CD 4.25Å; E83-K87 WeakPolarHBondContact O-CG 3.46Å; E83-K87 PolarHBondContact O-N 3.17Å; E83-K87 VanDerWaalsContact O-N 3.12Å; E83-K87 VanDerWaalsContact OE1-CE 3.27Å; E83-K87 WeakPolarHBondContact OE1-CE 3.43Å; E83-K87 IonicContact OE1-NZ 2.57Å; E83-K87 PolarHBondContact OE1-NZ 2.99Å; A84-K87 PolarHBondContact O-N 3.46Å; G85-K87 VanDerWaalsContact C-N 3.3Å; G85-K87 PolarHBondContact O-N 3.42Å; K87-S90 WeakPolarHBondContact O-CB 3.46Å; K87-S90 PolarHBondContact O-N 3.43Å; K87-L91 WeakPolarHBondContact O-CG 3.34Å; K87-L91 PolarHBondContact O-N 2.99Å; K87-Y124 WeakPolarHBondContact CE-OH 3.38Å; K87-Y124 HydrophobicContact CG-CE1 3.95Å; K87-Y124 VanDerWaalsContact CG-OH 3.31Å; K87-Y124 WeakPolarHBondContact CG-OH 3.48Å
88E98.4Very high97.5Very high122 Ų12249 Ų4957%0.5726%0.258SS*.Hα-helixtrans-62.5-47177.7-174.1171.3-170.600111.6A84 G85 S90 L91 E92A84-E88 PolarHBondContact O-N 2.91Å; G85-E88 PolarHBondContact O-N 3.18Å; E88-S90 VanDerWaalsContact C-N 3.28Å; E88-S90 PolarHBondContact O-N 3.48Å; E88-L91 CarbonylContact O-C 3.48Å; E88-L91 WeakPolarHBondContact O-CA 3.43Å; E88-L91 WeakPolarHBondContact O-CB 3.49Å; E88-L91 PolarHBondContact O-N 3.49Å; E88-E92 PolarHBondContact O-N 2.87Å
89A98.7Very high98Very high2 Ų244.2 Ų44.22%0.01724%0.236CC..Hα-helixtrans-58.5-39.9174.800000112.7W69 G85 L91 E92 L93 V121W69-A89 HydrophobicContact CB-CB 3.83Å; W69-A89 WeakPolarHBondContact O-CB 3.49Å; G85-A89 WeakPolarHBondContact O-CB 3.22Å; G85-A89 PolarHBondContact O-N 3Å; A89-L91 VanDerWaalsContact C-N 3.33Å; A89-L91 PolarHBondContact O-N 3.14Å; A89-E92 PolarHBondContact O-N 3.33Å; A89-L93 PolarHBondContact O-N 3.24Å; A89-V121 HydrophobicContact CB-CB 4.44Å; A89-V121 HydrophobicContact CB-CG1 3.78Å; A89-V121 HydrophobicContact CB-CG2 3.69Å
90S98.7Very high98.3Very high9 Ų944 Ų446%0.06323%0.232CC..Hα-helixtrans-62.3-40.4174.3-179.30000112I86 K87 E88 L93 G94 N125I86-S90 WeakPolarHBondContact O-CB 3.3Å; I86-S90 PolarHBondContact O-N 3.42Å; K87-S90 WeakPolarHBondContact O-CB 3.46Å; K87-S90 PolarHBondContact O-N 3.43Å; E88-S90 VanDerWaalsContact C-N 3.28Å; E88-S90 PolarHBondContact O-N 3.48Å; S90-L93 PolarHBondContact O-N 3.01Å; S90-G94 PolarHBondContact O-N 2.88Å; S90-N125 PolarHBondContact O-ND2 3.16Å; S90-N125 VanDerWaalsContact OG-CA 3.27Å; S90-N125 WeakPolarHBondContact OG-CA 3.39Å; S90-N125 VanDerWaalsContact OG-CB 3.29Å; S90-N125 WeakPolarHBondContact OG-CB 3.42Å; S90-N125 PolarHBondContact OG-ND2 3.46Å; S90-N125 VanDerWaalsContact OG-ND2 3.09Å
91L98.3Very high98.4Very high122 Ų12239.4 Ų39.464%0.63922%0.215SC*.Hα-helixtrans-66.8-38.9174.3-67.4172.5000111.7K87 E88 A89 G94 K95K87-L91 WeakPolarHBondContact O-CG 3.34Å; K87-L91 PolarHBondContact O-N 2.99Å; E88-L91 CarbonylContact O-C 3.48Å; E88-L91 WeakPolarHBondContact O-CA 3.43Å; E88-L91 WeakPolarHBondContact O-CB 3.49Å; E88-L91 PolarHBondContact O-N 3.49Å; A89-L91 VanDerWaalsContact C-N 3.33Å; A89-L91 PolarHBondContact O-N 3.14Å; L91-G94 PolarHBondContact O-N 3.02Å; L91-K95 WeakPolarHBondContact O-CG 3.43Å; L91-K95 PolarHBondContact O-N 3.1Å
92E98.3Very high98.4Very high29 Ų2945.6 Ų45.614%0.13624%0.241CC..Hα-helixtrans-59.8-46.1174-68.2-53.8143.300111.7L6 E88 A89 G94 K95 F96L6-E92 HydrophobicContact CD1-CB 4.28Å; L6-E92 HydrophobicContact CD1-CG 4.17Å; E88-E92 PolarHBondContact O-N 2.87Å; A89-E92 PolarHBondContact O-N 3.33Å; E92-G94 VanDerWaalsContact C-N 3.32Å; E92-G94 PolarHBondContact O-N 2.9Å; E92-K95 WeakPolarHBondContact O-CB 3.43Å; E92-K95 PolarHBondContact O-N 3.37Å; E92-K95 IonicContact OE1-NZ 2.75Å; E92-K95 PolarHBondContact OE1-NZ 3.21Å; E92-K95 WeakPolarHBondContact OE2-CD 3.36Å; E92-K95 WeakPolarHBondContact OE2-CE 3.5Å; E92-K95 IonicContact OE2-NZ 3.54Å; E92-K95 PolarHBondContact OE2-NZ 3.09Å; E92-F96 WeakPolarHBondContact O-CD2 3.49Å
93L98.8Very high98.3Very high4 Ų447.6 Ų47.62%0.02126%0.262CS..Hα-helixtrans-57.7-45.3172.217250.2000111.5I22 L24 A89 S90 K95 F96 V97 I112 V121 A122 N125I22-L93 HydrophobicContact CB-CD1 4.17Å; I22-L93 HydrophobicContact CG2-CD1 3.54Å; L24-L93 HydrophobicContact CD1-CD1 3.81Å; L24-L93 HydrophobicContact CD1-CD2 4.14Å; L24-L93 HydrophobicContact CD1-CG 4.42Å; L24-L93 HydrophobicContact CD2-CB 4.42Å; L24-L93 HydrophobicContact CD2-CD2 4.24Å; A89-L93 PolarHBondContact O-N 3.24Å; S90-L93 PolarHBondContact O-N 3.01Å; L93-K95 PolarHBondContact O-N 3.28Å; L93-F96 PolarHBondContact O-N 2.85Å; L93-V97 HydrophobicContact CD1-CG2 4.3Å; L93-V97 PolarHBondContact O-N 2.98Å; L93-V97 VanDerWaalsContact O-N 3.14Å; L93-I112 HydrophobicContact CD1-CB 4.39Å; L93-I112 HydrophobicContact CD1-CG2 3.9Å; L93-I112 HydrophobicContact CD2-CB 4.25Å; L93-I112 HydrophobicContact CD2-CD1 4.13Å; L93-I112 HydrophobicContact CD2-CG2 4.44Å; L93-I112 HydrophobicContact CG-CG2 4.42Å; L93-V121 HydrophobicContact CD2-CG1 4.45Å; L93-A122 HydrophobicContact CD2-CB 4.31Å; L93-N125 HydrophobicContact CD2-CB 3.87Å
94G98.5Very high98.2Very high17 Ų1748 Ų4818%0.17528%0.28CS..Hα-helixtrans-55.1-35.2176.400000113.6S90 L91 E92 F96 V97 D98S90-G94 PolarHBondContact O-N 2.88Å; L91-G94 PolarHBondContact O-N 3.02Å; E92-G94 VanDerWaalsContact C-N 3.32Å; E92-G94 PolarHBondContact O-N 2.9Å; G94-F96 PolarHBondContact O-N 3.04Å; G94-V97 PolarHBondContact O-N 3.44Å; G94-D98 WeakPolarHBondContact O-CB 3.26Å; G94-D98 PolarHBondContact O-N 3.17Å
95K98.5Very high98.2Very high46 Ų4645 Ų4520%0.226%0.255CS..Hα-helixtrans-64.8-38176.3-62.9171.4-167.71710112.6N3 L5 L91 E92 L93 A99N3-K95 HydrophobicContact CB-CD 4.06Å; L5-K95 HydrophobicContact CD2-CB 3.62Å; L5-K95 WeakPolarHBondContact CD2-O 3.41Å; L91-K95 WeakPolarHBondContact O-CG 3.43Å; L91-K95 PolarHBondContact O-N 3.1Å; E92-K95 WeakPolarHBondContact O-CB 3.43Å; E92-K95 PolarHBondContact O-N 3.37Å; E92-K95 IonicContact OE1-NZ 2.75Å; E92-K95 PolarHBondContact OE1-NZ 3.21Å; E92-K95 WeakPolarHBondContact OE2-CD 3.36Å; E92-K95 WeakPolarHBondContact OE2-CE 3.5Å; E92-K95 IonicContact OE2-NZ 3.54Å; E92-K95 PolarHBondContact OE2-NZ 3.09Å; L93-K95 PolarHBondContact O-N 3.28Å; K95-A99 WeakPolarHBondContact O-CB 3.2Å; K95-A99 PolarHBondContact O-N 3.44Å
96F98.6Very high98.1Very high8 Ų848.4 Ų48.44%0.03528%0.276CS..Hα-helixtrans-68.3-40.9175.5-73.4-83.9000111.3L5 L6 A8 I22 I49 P51 E92 L93 G94 A99 E100L5-F96 HydrophobicContact CB-CE1 4Å; L5-F96 HydrophobicContact CB-CZ 4.06Å; L5-F96 HydrophobicContact CD1-CD1 4.09Å; L5-F96 HydrophobicContact CD1-CE1 4.13Å; L5-F96 HydrophobicContact CD2-CD1 4.15Å; L5-F96 HydrophobicContact CD2-CD2 4.39Å; L5-F96 HydrophobicContact CD2-CE1 4.32Å; L5-F96 HydrophobicContact CD2-CG 4.2Å; L5-F96 HydrophobicContact CD2-CZ 4.5Å; L5-F96 HydrophobicContact CG-CE1 4.38Å; L6-F96 HydrophobicContact CB-CE2 4.22Å; L6-F96 HydrophobicContact CB-CZ 4.05Å; L6-F96 WeakPolarHBondContact O-CZ 3.44Å; A8-F96 HydrophobicContact CB-CE1 3.99Å; A8-F96 HydrophobicContact CB-CZ 4.33Å; I22-F96 HydrophobicContact CD1-CB 3.85Å; I22-F96 HydrophobicContact CG2-CB 4.21Å; I49-F96 HydrophobicContact CG2-CD1 3.75Å; I49-F96 HydrophobicContact CG2-CE1 4.01Å; P51-F96 HydrophobicContact CB-CD2 4.21Å; P51-F96 HydrophobicContact CB-CE1 4.27Å; P51-F96 HydrophobicContact CB-CE2 3.5Å; P51-F96 HydrophobicContact CB-CZ 3.53Å; P51-F96 HydrophobicContact CG-CD1 4.11Å; P51-F96 HydrophobicContact CG-CD2 3.68Å; P51-F96 HydrophobicContact CG-CE1 3.91Å; P51-F96 HydrophobicContact CG-CE2 3.47Å; P51-F96 VanDerWaalsContact CG-CE2 3.47Å; P51-F96 HydrophobicContact CG-CG 4Å; P51-F96 HydrophobicContact CG-CZ 3.58Å; E92-F96 WeakPolarHBondContact O-CD2 3.49Å; L93-F96 PolarHBondContact O-N 2.85Å; G94-F96 PolarHBondContact O-N 3.04Å; F96-A99 WeakPolarHBondContact O-CB 3.13Å; F96-A99 PolarHBondContact O-N 2.68Å; F96-E100 WeakPolarHBondContact O-CG 3.1Å; F96-E100 PolarHBondContact O-N 3.06Å
97V98.7Very high98.1Very high0 Ų050.6 Ų50.60%029%0.287CS..Hα-helixtrans-58.3-49.4173.7174.50000110.4I22 L93 G94 A99 E100 I101 I107 I110 I112 L131 Y133I22-V97 HydrophobicContact CD1-CB 4.45Å; I22-V97 HydrophobicContact CD1-CG2 3.74Å; L93-V97 HydrophobicContact CD1-CG2 4.3Å; L93-V97 PolarHBondContact O-N 2.98Å; L93-V97 VanDerWaalsContact O-N 3.14Å; G94-V97 PolarHBondContact O-N 3.44Å; V97-A99 VanDerWaalsContact C-N 3.28Å; V97-A99 PolarHBondContact O-N 2.85Å; V97-E100 PolarHBondContact O-N 3.18Å; V97-E100 VanDerWaalsContact O-N 3.14Å; V97-I101 HydrophobicContact CG1-CD1 3.94Å; V97-I101 HydrophobicContact CG1-CG1 4.48Å; V97-I101 WeakPolarHBondContact O-CG1 3.24Å; V97-I101 PolarHBondContact O-N 3.19Å; V97-I107 HydrophobicContact CG1-CD1 3.93Å; V97-I110 HydrophobicContact CG1-CD1 4.35Å; V97-I110 HydrophobicContact CG2-CG2 4.46Å; V97-I112 HydrophobicContact CG2-CG2 3.73Å; V97-L131 HydrophobicContact CG1-CD1 4.01Å; V97-Y133 HydrophobicContact CB-CE1 4.49Å; V97-Y133 HydrophobicContact CG1-CE1 3.81Å; V97-Y133 HydrophobicContact CG2-CE1 3.82Å
98D98.3Very high98Very high77 Ų7748 Ų4841%0.41228%0.284SS..Hα-helixtrans-59.9-37.3177.7-78.7-11.7000112.7G94 K102G94-D98 WeakPolarHBondContact O-CB 3.26Å; G94-D98 PolarHBondContact O-N 3.17Å; D98-K102 WeakPolarHBondContact O-CB 3.4Å; D98-K102 WeakPolarHBondContact O-CD 3.38Å; D98-K102 WeakPolarHBondContact O-CG 3.22Å; D98-K102 PolarHBondContact O-N 2.69Å
99A98.2Very high98Very high30 Ų3043.8 Ų43.825%0.24827%0.265CS..Hα-helixtrans-65.4-40176.900000111.6L5 K95 F96 V97 K102 A103L5-A99 HydrophobicContact CD1-CB 3.83Å; L5-A99 HydrophobicContact CD2-CB 4.46Å; K95-A99 WeakPolarHBondContact O-CB 3.2Å; K95-A99 PolarHBondContact O-N 3.44Å; F96-A99 WeakPolarHBondContact O-CB 3.13Å; F96-A99 PolarHBondContact O-N 2.68Å; V97-A99 VanDerWaalsContact C-N 3.28Å; V97-A99 PolarHBondContact O-N 2.85Å; A99-K102 PolarHBondContact O-N 3.26Å; A99-A103 WeakPolarHBondContact O-CB 3.28Å; A99-A103 PolarHBondContact O-N 2.88Å
100E98.2Very high98Very high12 Ų1243.7 Ų43.76%0.05627%0.265CS..Hα-helixtrans-69.3-40.5176.8-69.1-59.3107.200112.8H17 T20 I22 K47 I49 F96 V97 K102 A103 G104 V105 I110H17-E100 IonicContact CE1-OE2 3.65Å; H17-E100 IonicContact NE2-OE2 2.66Å; T20-E100 WeakPolarHBondContact CB-OE2 3.27Å; T20-E100 HydrophobicContact CG2-CG 3.92Å; T20-E100 WeakPolarHBondContact CG2-OE2 3.14Å; T20-E100 PolarHBondContact OG1-OE2 2.96Å; I22-E100 HydrophobicContact CD1-CG 4.38Å; K47-E100 VanDerWaalsContact CE-CD 3.41Å; K47-E100 WeakPolarHBondContact CE-OE1 3.44Å; K47-E100 WeakPolarHBondContact CE-OE2 3.29Å; K47-E100 IonicContact NZ-OE1 2.75Å; K47-E100 PolarHBondContact NZ-OE1 3.15Å; K47-E100 IonicContact NZ-OE2 3.24Å; K47-E100 PolarHBondContact NZ-OE2 2.57Å; I49-E100 HydrophobicContact CD1-CG 3.92Å; I49-E100 WeakPolarHBondContact CD1-OE1 3.42Å; F96-E100 WeakPolarHBondContact O-CG 3.1Å; F96-E100 PolarHBondContact O-N 3.06Å; V97-E100 PolarHBondContact O-N 3.18Å; V97-E100 VanDerWaalsContact O-N 3.14Å; E100-K102 VanDerWaalsContact C-N 3.31Å; E100-K102 PolarHBondContact O-N 3.22Å; E100-A103 CarbonylContact O-C 3.26Å; E100-A103 WeakPolarHBondContact O-CB 3.37Å; E100-A103 PolarHBondContact O-N 3.41Å; E100-A103 VanDerWaalsContact O-N 3.14Å; E100-G104 PolarHBondContact O-N 3.09Å; E100-V105 HydrophobicContact CB-CB 4.4Å; E100-V105 HydrophobicContact CB-CG2 4.45Å; E100-V105 PolarHBondContact O-N 3.34Å; E100-I110 HydrophobicContact CB-CD1 3.72Å; E100-I110 HydrophobicContact CB-CG1 4.39Å
101I98Very high98Very high67 Ų6743.3 Ų43.334%0.34426%0.262SS..Hα-helixtrans-59.6-45.7172.9-65.9169.1000110V97 A103 G104 I107 I110V97-I101 HydrophobicContact CG1-CD1 3.94Å; V97-I101 HydrophobicContact CG1-CG1 4.48Å; V97-I101 WeakPolarHBondContact O-CG1 3.24Å; V97-I101 PolarHBondContact O-N 3.19Å; I101-A103 VanDerWaalsContact C-N 3.26Å; I101-A103 PolarHBondContact O-N 3.48Å; I101-G104 PolarHBondContact O-N 2.92Å; I101-I107 HydrophobicContact CD1-CD1 4.2Å; I101-I110 HydrophobicContact CG1-CD1 3.77Å
102K97.6Very high98.1Very high171 Ų17137.5 Ų37.574%0.74323%0.231SC*.Hα-helixtrans-64.6-30176.7-73.3166.4-171.6163.80112.8D98 A99 E100 G104D98-K102 WeakPolarHBondContact O-CB 3.4Å; D98-K102 WeakPolarHBondContact O-CD 3.38Å; D98-K102 WeakPolarHBondContact O-CG 3.22Å; D98-K102 PolarHBondContact O-N 2.69Å; A99-K102 PolarHBondContact O-N 3.26Å; E100-K102 VanDerWaalsContact C-N 3.31Å; E100-K102 PolarHBondContact O-N 3.22Å; K102-G104 PolarHBondContact O-N 3.02Å
103A96.4Very high98.1Very high71 Ų7136.1 Ų36.159%0.58723%0.225SC*.THydrogen-bonded Turntrans-76.6-2.5173.100000113.3A99 E100 I101A99-A103 WeakPolarHBondContact O-CB 3.28Å; A99-A103 PolarHBondContact O-N 2.88Å; E100-A103 CarbonylContact O-C 3.26Å; E100-A103 WeakPolarHBondContact O-CB 3.37Å; E100-A103 PolarHBondContact O-N 3.41Å; E100-A103 VanDerWaalsContact O-N 3.14Å; I101-A103 VanDerWaalsContact C-N 3.26Å; I101-A103 PolarHBondContact O-N 3.48Å
104G96.6Very high98.1Very high61 Ų6135.9 Ų35.963%0.62922%0.224SC*.THydrogen-bonded Turntrans96.77.9174.100000115E100 I101 K102 P106E100-G104 PolarHBondContact O-N 3.09Å; I101-G104 PolarHBondContact O-N 2.92Å; K102-G104 PolarHBondContact O-N 3.02Å; G104-P106 WeakPolarHBondContact O-CD 2.92Å
105V97.6Very high98.1Very high8 Ų835.8 Ų35.85%0.04822%0.219CC..  trans-77.7120.5174.1-171.70000109H17 E100 N109 I110H17-V105 WeakPolarHBondContact CE1-CG2 3.3Å; E100-V105 HydrophobicContact CB-CB 4.4Å; E100-V105 HydrophobicContact CB-CG2 4.45Å; E100-V105 PolarHBondContact O-N 3.34Å; V105-N109 HydrophobicContact CG1-CB 4.13Å; V105-I110 HydrophobicContact CB-CD1 4.41Å; V105-I110 HydrophobicContact CB-CG1 4.26Å; V105-I110 HydrophobicContact CG1-CD1 4.37Å; V105-I110 HydrophobicContact CG1-CG1 3.7Å
106P97.4Very high98.1Very high77 Ų7734.1 Ų34.150%0.521%0.212SC..  trans-60143175.4-22.634.1000111.3G104 G108 N109 I110G104-P106 WeakPolarHBondContact O-CD 2.92Å; P106-G108 PolarHBondContact O-N 2.91Å; P106-N109 WeakPolarHBondContact O-CA 3.42Å; P106-N109 WeakPolarHBondContact O-CB 3.26Å; P106-N109 PolarHBondContact O-N 2.9Å; P106-I110 PolarHBondContact O-N 3.07Å
107I97.9Very high98.1Very high46 Ų4633.7 Ų33.724%0.23621%0.211CC..G310 helixtrans-57.6-35.3-178.7-17453.9000113.2V97 I101 N109 I110 L131 Q132 Y133 G134V97-I107 HydrophobicContact CG1-CD1 3.93Å; I101-I107 HydrophobicContact CD1-CD1 4.2Å; I107-N109 PolarHBondContact O-N 2.94Å; I107-N109 VanDerWaalsContact O-N 3.12Å; I107-I110 HydrophobicContact CD1-CB 4.38Å; I107-I110 HydrophobicContact CD1-CD1 4.25Å; I107-I110 PolarHBondContact O-N 2.98Å; I107-L131 HydrophobicContact CD1-CB 4.06Å; I107-L131 HydrophobicContact CD1-CD1 4.16Å; I107-L131 HydrophobicContact CG1-CB 3.98Å; I107-L131 HydrophobicContact CG1-CD2 4.38Å; I107-Q132 CarbonylContact C-O 3.59Å; I107-Y133 HydrophobicContact CD1-CD1 3.62Å; I107-Y133 HydrophobicContact CD1-CE1 3.72Å; I107-Y133 HydrophobicContact CD1-CG 4.48Å; I107-G134 PolarHBondContact O-N 2.82Å
108G97.6Very high98.1Very high30 Ų3033.7 Ų33.731%0.30921%0.211SC..G310 helixtrans-67.2-7.2174.200000114.6P106 Q132 G134P106-G108 PolarHBondContact O-N 2.91Å; G108-Q132 WeakPolarHBondContact CA-O 3.4Å; G108-Q132 PolarHBondContact N-O 2.91Å; G108-G134 WeakPolarHBondContact O-CA 3.36Å
109N98.2Very high98.1Very high33 Ų3330 Ų3018%0.17619%0.191CC..G310 helixtrans-111.48.1175-66.121.6000112.2S18 A19 T20 V105 P106 I107 I223S18-N109 WeakPolarHBondContact O-CB 3.33Å; S18-N109 PolarHBondContact O-ND2 2.98Å; A19-N109 VanDerWaalsContact CA-O 3.24Å; A19-N109 WeakPolarHBondContact CA-O 3.47Å; A19-N109 HydrophobicContact CB-CB 4.21Å; A19-N109 WeakPolarHBondContact CB-O 3.26Å; T20-N109 PolarHBondContact N-O 3.31Å; V105-N109 HydrophobicContact CG1-CB 4.13Å; P106-N109 WeakPolarHBondContact O-CA 3.42Å; P106-N109 WeakPolarHBondContact O-CB 3.26Å; P106-N109 PolarHBondContact O-N 2.9Å; I107-N109 PolarHBondContact O-N 2.94Å; I107-N109 VanDerWaalsContact O-N 3.12Å; N109-I223 HydrophobicContact CB-CG2 4.04Å
110I98.7Very high98.2Very high0 Ų028.6 Ų28.60%018%0.179CC..EExtended strand (participates in β ladder)trans-102.1123.9173.2-59.9173.5000108.3T20 I22 V97 E100 I101 V105 P106 I107 I112 Y133 G134T20-I110 WeakPolarHBondContact O-CA 3.37Å; I22-I110 HydrophobicContact CD1-CG2 4.11Å; V97-I110 HydrophobicContact CG1-CD1 4.35Å; V97-I110 HydrophobicContact CG2-CG2 4.46Å; E100-I110 HydrophobicContact CB-CD1 3.72Å; E100-I110 HydrophobicContact CB-CG1 4.39Å; I101-I110 HydrophobicContact CG1-CD1 3.77Å; V105-I110 HydrophobicContact CB-CD1 4.41Å; V105-I110 HydrophobicContact CB-CG1 4.26Å; V105-I110 HydrophobicContact CG1-CD1 4.37Å; V105-I110 HydrophobicContact CG1-CG1 3.7Å; P106-I110 PolarHBondContact O-N 3.07Å; I107-I110 HydrophobicContact CD1-CB 4.38Å; I107-I110 HydrophobicContact CD1-CD1 4.25Å; I107-I110 PolarHBondContact O-N 2.98Å; I110-I112 HydrophobicContact CG2-CG2 4.42Å; I110-Y133 HydrophobicContact CG2-CD1 4.42Å; I110-G134 PolarHBondContact O-N 2.84Å
111V98.9Very high98.2Very high0 Ų028 Ų280%018%0.177CC..EExtended strand (participates in β ladder)trans-105131169.9-177.60000108.1T20 L21 I22 F46 G135 V137 L219 I223T20-V111 PolarHBondContact O-N 2.95Å; L21-V111 WeakPolarHBondContact CA-O 3.39Å; L21-V111 HydrophobicContact CD1-CB 3.84Å; L21-V111 HydrophobicContact CD1-CG1 3.61Å; I22-V111 PolarHBondContact N-O 2.92Å; F46-V111 HydrophobicContact CE1-CG2 4.13Å; V111-G135 WeakPolarHBondContact CA-O 3.38Å; V111-G135 WeakPolarHBondContact CG1-O 3.41Å; V111-V137 HydrophobicContact CG1-CG2 3.74Å; V111-L219 HydrophobicContact CB-CD2 4.29Å; V111-L219 HydrophobicContact CG1-CD2 4.11Å; V111-L219 HydrophobicContact CG2-CD2 3.78Å; V111-I223 HydrophobicContact CG2-CD1 3.09Å; V111-I223 HydrophobicContact CG2-CG1 4.47Å
112I98.9Very high98.2Very high0 Ų024.9 Ų24.90%016%0.16CC..EExtended strand (participates in β ladder)trans-107149168.559167.2000109.5I22 L93 V97 I110 N125 A126 Y133 G135 V136 V137I22-I112 HydrophobicContact CB-CG2 4.46Å; I22-I112 CarbonylContact O-C 3.59Å; I22-I112 WeakPolarHBondContact O-CA 3.29Å; L93-I112 HydrophobicContact CD1-CB 4.39Å; L93-I112 HydrophobicContact CD1-CG2 3.9Å; L93-I112 HydrophobicContact CD2-CB 4.25Å; L93-I112 HydrophobicContact CD2-CD1 4.13Å; L93-I112 HydrophobicContact CD2-CG2 4.44Å; L93-I112 HydrophobicContact CG-CG2 4.42Å; V97-I112 HydrophobicContact CG2-CG2 3.73Å; I110-I112 HydrophobicContact CG2-CG2 4.42Å; I112-N125 HydrophobicContact CD1-CB 4.25Å; I112-N125 WeakPolarHBondContact CD1-OD1 3.47Å; I112-A126 HydrophobicContact CD1-CB 4.08Å; I112-Y133 HydrophobicContact CD1-CD2 3.97Å; I112-Y133 HydrophobicContact CD1-CE1 4.19Å; I112-Y133 HydrophobicContact CD1-CE2 3.54Å; I112-Y133 HydrophobicContact CD1-CG 4.45Å; I112-Y133 HydrophobicContact CG1-CD1 4.31Å; I112-Y133 HydrophobicContact CG1-CD2 4.27Å; I112-Y133 HydrophobicContact CG1-CE1 4.31Å; I112-Y133 HydrophobicContact CG1-CE2 4.25Å; I112-Y133 HydrophobicContact CG1-CG 4.29Å; I112-Y133 HydrophobicContact CG2-CD1 4.14Å; I112-Y133 HydrophobicContact CG2-CE1 3.73Å; I112-G135 PolarHBondContact N-O 2.87Å; I112-V136 HydrophobicContact CG1-CG2 4.3Å; I112-V136 CarbonylContact O-C 3.58Å; I112-V136 VanDerWaalsContact O-CA 3.26Å; I112-V136 WeakPolarHBondContact O-CA 3.29Å; I112-V137 PolarHBondContact O-N 2.98Å
113G98.9Very high98.3Very high0 Ų016.8 Ų16.80%013%0.125CC..EExtended strand (participates in β ladder)trans-174.6-172.5176.300000113.5I22 F23 L24 V137I22-G113 PolarHBondContact O-N 3.24Å; F23-G113 CarbonylContact C-O 3.56Å; F23-G113 WeakPolarHBondContact CA-O 3.37Å; L24-G113 WeakPolarHBondContact CD1-O 3.47Å; L24-G113 PolarHBondContact N-O 3.08Å; G113-V137 CarbonylContact C-O 3.59Å; G113-V137 WeakPolarHBondContact CA-O 3.49Å
114G98.8Very high98.4Very high0 Ų014 Ų140%010%0.1CC..EExtended strand (participates in β ladder)trans176.2178.7174.200000113.3L24 G119 V137 F139L24-G114 CarbonylContact O-C 3.3Å; L24-G114 WeakPolarHBondContact O-CA 3.45Å; G114-G119 VanDerWaalsContact C-CA 3.45Å; G114-G119 VanDerWaalsContact C-N 3.31Å; G114-G119 WeakPolarHBondContact O-CA 3.38Å; G114-V137 PolarHBondContact N-O 2.9Å; G114-V137 VanDerWaalsContact N-O 3.07Å; G114-F139 PolarHBondContact O-N 2.89Å
115F98.8Very high98.5Very high15 Ų1511.6 Ų11.67%0.0667%0.072CC..EExtended strand (participates in β ladder)trans-110.2138.5176.3174.9-97.5000110.7F23 L24 G26 W34 Q117 G118 G119 F139 H205F23-F115 HydrophobicContact CE1-CB 3.9Å; F23-F115 HydrophobicContact CZ-CB 4.05Å; L24-F115 PolarHBondContact O-N 2.84Å; G26-F115 WeakPolarHBondContact CA-O 3.3Å; G26-F115 PolarHBondContact N-O 2.86Å; W34-F115 HydrophobicContact CD2-CB 4.41Å; W34-F115 AromaticContact CE2-CG 3.99Å; W34-F115 HydrophobicContact CH2-CB 3.53Å; W34-F115 HydrophobicContact CH2-CD1 4.31Å; W34-F115 AromaticContact CH2-CD2 3.45Å; W34-F115 HydrophobicContact CH2-CD2 3.45Å; W34-F115 VanDerWaalsContact CH2-CD2 3.45Å; W34-F115 HydrophobicContact CH2-CE2 4.21Å; W34-F115 AromaticContact CH2-CG 3.51Å; W34-F115 HydrophobicContact CH2-CG 3.51Å; W34-F115 HydrophobicContact CZ2-CB 3.22Å; W34-F115 AromaticContact CZ2-CD1 3.51Å; W34-F115 HydrophobicContact CZ2-CD1 3.51Å; W34-F115 AromaticContact CZ2-CD2 3.53Å; W34-F115 HydrophobicContact CZ2-CD2 3.53Å; W34-F115 HydrophobicContact CZ2-CE1 4.21Å; W34-F115 HydrophobicContact CZ2-CE2 4.22Å; W34-F115 AromaticContact CZ2-CG 3.12Å; W34-F115 HydrophobicContact CZ2-CG 3.12Å; W34-F115 HydrophobicContact CZ3-CB 4.25Å; F115-Q117 PolarHBondContact O-N 3.26Å; F115-G118 PolarHBondContact O-N 3.49Å; F115-G119 PolarHBondContact O-N 2.92Å; F115-F139 CarbonylContact C-O 3.54Å; F115-F139 WeakPolarHBondContact CA-O 3.06Å; F115-F139 HydrophobicContact CB-CB 4.37Å; F115-F139 HydrophobicContact CD2-CB 3.87Å; F115-H205 AromaticContact CE1-CD2 3.86Å; F115-H205 AromaticContact CE1-NE2 3.53Å; F115-H205 AromaticContact CZ-CD2 3.66Å; F115-H205 AromaticContact CZ-CE1 3.76Å; F115-H205 AromaticContact CZ-CG 3.93Å; F115-H205 AromaticContact CZ-ND1 3.99Å; F115-H205 AromaticContact CZ-NE2 3.58Å
116S98.4Very high98.6Very high10 Ų1011.3 Ų11.37%0.077%0.071CC..THydrogen-bonded Turntrans52.4-122.6175.1-170.70000111G118 G119 S120 F139 S140 C141 H205S116-G118 PolarHBondContact O-N 3.44Å; S116-G119 PolarHBondContact O-N 3.23Å; S116-S120 PolarHBondContact O-N 3.43Å; S116-S120 PolarHBondContact O-OG 3.27Å; S116-F139 PolarHBondContact N-O 2.78Å; S116-S140 WeakPolarHBondContact CA-O 3.27Å; S116-C141 WeakPolarHBondContact O-CB 3.07Å; S116-H205 VanDerWaalsContact CB-CE1 3.49Å; S116-H205 WeakPolarHBondContact CB-CE1 3.23Å; S116-H205 VanDerWaalsContact CB-NE2 3.29Å; S116-H205 WeakPolarHBondContact CB-NE2 3.02Å; S116-H205 PolarHBondContact OG-CE1 2.94Å; S116-H205 VanDerWaalsContact OG-CE1 3.26Å; S116-H205 PolarHBondContact OG-NE2 2.8Å
117Q98.5Very high98.6Very high0 Ų07.7 Ų7.70%05%0.047CC..Hα-helixtrans-50.9-41.2175.3-168.4-176.856.600113.4W69 Y70 I72 F115 S120 V121W69-Q117 HydrophobicContact CB-CG 4.3Å; Y70-Q117 HydrophobicContact CD1-CG 4.07Å; Y70-Q117 HydrophobicContact CE1-CG 3.47Å; Y70-Q117 VanDerWaalsContact CE1-CG 3.47Å; Y70-Q117 HydrophobicContact CE2-CG 4.29Å; Y70-Q117 PolarHBondContact O-NE2 3.22Å; I72-Q117 HydrophobicContact CD1-CG 4.4Å; F115-Q117 PolarHBondContact O-N 3.26Å; Q117-S120 WeakPolarHBondContact O-CB 3.49Å; Q117-S120 PolarHBondContact O-N 2.8Å; Q117-V121 WeakPolarHBondContact O-CG2 3.15Å; Q117-V121 PolarHBondContact O-N 3.28Å; Q117-V121 VanDerWaalsContact O-N 3.11Å
118G98.8Very high98.7Very high0 Ų07.4 Ų7.40%05%0.047CC..Hα-helixtrans-66.9-37.3178.800000113.2L24 H25 F115 S116 S120 V121 A122L24-G118 VanDerWaalsContact CB-CA 3.43Å; H25-G118 WeakPolarHBondContact O-CA 3.41Å; H25-G118 PolarHBondContact O-N 3.37Å; F115-G118 PolarHBondContact O-N 3.49Å; S116-G118 PolarHBondContact O-N 3.44Å; G118-S120 VanDerWaalsContact C-N 3.32Å; G118-V121 PolarHBondContact O-N 3.06Å; G118-A122 PolarHBondContact O-N 2.98Å
119G98.8Very high98.7Very high0 Ų06.9 Ų6.90%04%0.039CC..Hα-helixtrans-64.9-38173.400000111.9G114 F115 S116 V121 A122 L123G114-G119 VanDerWaalsContact C-CA 3.45Å; G114-G119 VanDerWaalsContact C-N 3.31Å; G114-G119 WeakPolarHBondContact O-CA 3.38Å; F115-G119 PolarHBondContact O-N 2.92Å; S116-G119 PolarHBondContact O-N 3.23Å; G119-V121 PolarHBondContact O-N 3.21Å; G119-A122 PolarHBondContact O-N 2.8Å; G119-L123 WeakPolarHBondContact O-CG 3.47Å; G119-L123 PolarHBondContact O-N 3.2Å
120S98.6Very high98.6Very high0 Ų010.5 Ų10.50%06%0.063CC..Hα-helixtrans-60.2-42.3173-69.80000112.9Y70 S116 Q117 G118 Y124 W142 P144Y70-S120 WeakPolarHBondContact OH-CB 3.43Å; S116-S120 PolarHBondContact O-N 3.43Å; S116-S120 PolarHBondContact O-OG 3.27Å; Q117-S120 WeakPolarHBondContact O-CB 3.49Å; Q117-S120 PolarHBondContact O-N 2.8Å; G118-S120 VanDerWaalsContact C-N 3.32Å; S120-Y124 PolarHBondContact O-N 3.04Å; S120-Y124 VanDerWaalsContact O-N 3.09Å; S120-W142 WeakPolarHBondContact CA-O 3.47Å; S120-W142 VanDerWaalsContact CB-O 3.3Å; S120-W142 WeakPolarHBondContact CB-O 3.43Å; S120-W142 PolarHBondContact OG-N 3.3Å; S120-W142 PolarHBondContact OG-O 3.43Å; S120-P144 VanDerWaalsContact O-CD 3.24Å; S120-P144 WeakPolarHBondContact O-CD 3.27Å; S120-P144 WeakPolarHBondContact O-CG 3.29Å
121V98.9Very high98.6Very high0 Ų013 Ų130%08%0.076CC..Hα-helixtrans-63.6-45.9174.1177.40000111.2L24 W69 Y70 A89 L93 Q117 G118 G119 L123 Y124 N125L24-V121 HydrophobicContact CD2-CB 3.75Å; L24-V121 HydrophobicContact CD2-CG1 3.62Å; L24-V121 HydrophobicContact CD2-CG2 4.45Å; W69-V121 HydrophobicContact CB-CG2 3.74Å; W69-V121 HydrophobicContact CG-CG2 4.03Å; Y70-V121 HydrophobicContact CD1-CG2 3.85Å; Y70-V121 HydrophobicContact CE1-CG2 3.63Å; A89-V121 HydrophobicContact CB-CB 4.44Å; A89-V121 HydrophobicContact CB-CG1 3.78Å; A89-V121 HydrophobicContact CB-CG2 3.69Å; L93-V121 HydrophobicContact CD2-CG1 4.45Å; Q117-V121 WeakPolarHBondContact O-CG2 3.15Å; Q117-V121 PolarHBondContact O-N 3.28Å; Q117-V121 VanDerWaalsContact O-N 3.11Å; G118-V121 PolarHBondContact O-N 3.06Å; G119-V121 PolarHBondContact O-N 3.21Å; V121-L123 VanDerWaalsContact C-N 3.35Å; V121-L123 PolarHBondContact O-N 2.86Å; V121-Y124 PolarHBondContact O-N 2.94Å; V121-N125 WeakPolarHBondContact O-CB 3.09Å; V121-N125 PolarHBondContact O-N 3.33Å
122A98.9Very high98.5Very high0 Ų016.7 Ų16.70%09%0.093CC..Hα-helixtrans-61.5-42.5-179.400000112.2L93 G118 G119 N125 A126L93-A122 HydrophobicContact CD2-CB 4.31Å; G118-A122 PolarHBondContact O-N 2.98Å; G119-A122 PolarHBondContact O-N 2.8Å; A122-N125 PolarHBondContact O-N 3.15Å; A122-A126 WeakPolarHBondContact O-CB 3.33Å; A122-A126 PolarHBondContact O-N 3.12Å
123L98.8Very high98.5Very high2 Ų216.9 Ų16.91%0.019%0.094CC..Hα-helixtrans-60.6-47.6173.8-75171.4000111.9G119 V121 N125 A126 L127 V136 A138 L143 V164 T183 L187G119-L123 WeakPolarHBondContact O-CG 3.47Å; G119-L123 PolarHBondContact O-N 3.2Å; V121-L123 VanDerWaalsContact C-N 3.35Å; V121-L123 PolarHBondContact O-N 2.86Å; L123-N125 PolarHBondContact O-N 3.13Å; L123-A126 PolarHBondContact O-N 3.46Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 WeakPolarHBondContact O-CD1 3.1Å; L123-L127 VanDerWaalsContact O-CG 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.48Å; L123-L127 PolarHBondContact O-N 3.24Å; L123-V136 HydrophobicContact CD2-CG1 4.21Å; L123-A138 HydrophobicContact CD1-CB 4.1Å; L123-A138 HydrophobicContact CD2-CB 4.07Å; L123-A138 HydrophobicContact CG-CB 4.07Å; L123-L143 HydrophobicContact CB-CD1 4.35Å; L123-V164 HydrophobicContact CD2-CG1 4.29Å; L123-T183 HydrophobicContact CD1-CG2 3.82Å; L123-L187 HydrophobicContact CD2-CD1 4.49Å
124Y98.8Very high98.5Very high12 Ų1217.3 Ų17.35%0.04710%0.098CC..Hα-helixtrans-61.3-45.3178.2-177.6-94.6000111.9I86 K87 S120 V121 L127 T128 P144 L145 F149I86-Y124 HydrophobicContact CG2-CD1 3.9Å; I86-Y124 HydrophobicContact CG2-CD2 4Å; I86-Y124 HydrophobicContact CG2-CE1 4.31Å; I86-Y124 HydrophobicContact CG2-CE2 4.43Å; I86-Y124 HydrophobicContact CG2-CG 3.73Å; K87-Y124 WeakPolarHBondContact CE-OH 3.38Å; K87-Y124 HydrophobicContact CG-CE1 3.95Å; K87-Y124 VanDerWaalsContact CG-OH 3.31Å; K87-Y124 WeakPolarHBondContact CG-OH 3.48Å; S120-Y124 PolarHBondContact O-N 3.04Å; S120-Y124 VanDerWaalsContact O-N 3.09Å; V121-Y124 PolarHBondContact O-N 2.94Å; Y124-L127 PolarHBondContact O-N 3.42Å; Y124-T128 HydrophobicContact CD2-CG2 4.38Å; Y124-T128 HydrophobicContact CE1-CG2 4.21Å; Y124-T128 HydrophobicContact CE2-CG2 3.93Å; Y124-T128 WeakPolarHBondContact O-CB 3.41Å; Y124-T128 WeakPolarHBondContact O-CG2 3.4Å; Y124-T128 PolarHBondContact O-N 3.09Å; Y124-T128 VanDerWaalsContact O-N 3.1Å; Y124-T128 PolarHBondContact O-OG1 2.9Å; Y124-P144 HydrophobicContact CD2-CG 4.48Å; Y124-L145 HydrophobicContact CD2-CD1 4.25Å; Y124-L145 HydrophobicContact CE2-CD1 3.72Å; Y124-F149 AromaticContact CD2-CE2 3.85Å; Y124-F149 HydrophobicContact CD2-CE2 3.85Å; Y124-F149 AromaticContact CD2-CZ 3.86Å; Y124-F149 HydrophobicContact CD2-CZ 3.86Å; Y124-F149 HydrophobicContact CE2-CE2 4.14Å; Y124-F149 HydrophobicContact CE2-CZ 4.04Å
125N98.8Very high98.5Very high11 Ų1117.3 Ų17.36%0.05910%0.098CC..Hα-helixtrans-58.9-50.9177.4-178.9-82000111.3S90 L93 I112 V121 A122 L123 L127 T128 S129 Y133S90-N125 PolarHBondContact O-ND2 3.16Å; S90-N125 VanDerWaalsContact OG-CA 3.27Å; S90-N125 WeakPolarHBondContact OG-CA 3.39Å; S90-N125 VanDerWaalsContact OG-CB 3.29Å; S90-N125 WeakPolarHBondContact OG-CB 3.42Å; S90-N125 PolarHBondContact OG-ND2 3.46Å; S90-N125 VanDerWaalsContact OG-ND2 3.09Å; L93-N125 HydrophobicContact CD2-CB 3.87Å; I112-N125 HydrophobicContact CD1-CB 4.25Å; I112-N125 WeakPolarHBondContact CD1-OD1 3.47Å; V121-N125 WeakPolarHBondContact O-CB 3.09Å; V121-N125 PolarHBondContact O-N 3.33Å; A122-N125 PolarHBondContact O-N 3.15Å; L123-N125 PolarHBondContact O-N 3.13Å; N125-L127 PolarHBondContact O-N 3.09Å; N125-T128 PolarHBondContact O-N 3.34Å; N125-T128 PolarHBondContact O-OG1 3.45Å; N125-S129 WeakPolarHBondContact O-CB 3.41Å; N125-S129 PolarHBondContact O-N 3.46Å; N125-S129 VanDerWaalsContact O-N 3.09Å; N125-Y133 PolarHBondContact OD1-OH 3.28Å
126A98.7Very high98.5Very high1 Ų116.6 Ų16.61%0.00810%0.095CC..Hα-helixtrans-57.9-50.317900000111.6I112 A122 L123 T128 S129 V136 M158I112-A126 HydrophobicContact CD1-CB 4.08Å; A122-A126 WeakPolarHBondContact O-CB 3.33Å; A122-A126 PolarHBondContact O-N 3.12Å; L123-A126 PolarHBondContact O-N 3.46Å; A126-T128 PolarHBondContact O-N 3.41Å; A126-S129 PolarHBondContact O-N 3.03Å; A126-V136 HydrophobicContact CB-CG1 4.3Å; A126-V136 HydrophobicContact CB-CG2 3.51Å; A126-M158 HydrophobicContact CB-CE 4.11Å; A126-M158 HydrophobicContact CB-SD 3.83Å; A126-M158 VanDerWaalsContact O-CB 3.25Å; A126-M158 WeakPolarHBondContact O-CB 3.28Å; A126-M158 WeakPolarHBondContact O-CG 3.25Å
127L98.4Very high98.5Very high1 Ų116.1 Ų16.11%0.0059%0.092CC..Hα-helixtrans-64.1-27.5-175.9-73.9168.3000113.7L123 Y124 N125 L143 F149 L156 T157 M158 L187 F190 L192L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 WeakPolarHBondContact O-CD1 3.1Å; L123-L127 VanDerWaalsContact O-CG 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.48Å; L123-L127 PolarHBondContact O-N 3.24Å; Y124-L127 PolarHBondContact O-N 3.42Å; N125-L127 PolarHBondContact O-N 3.09Å; L127-L143 HydrophobicContact CD1-CD1 3.27Å; L127-L143 HydrophobicContact CD1-CD2 3.81Å; L127-L143 HydrophobicContact CD1-CG 4.19Å; L127-F149 HydrophobicContact CB-CE1 3.64Å; L127-F149 HydrophobicContact CB-CZ 3.69Å; L127-F149 HydrophobicContact CD1-CE1 4.42Å; L127-F149 HydrophobicContact CD1-CE2 4.4Å; L127-F149 HydrophobicContact CD1-CZ 4.15Å; L127-L156 HydrophobicContact CD2-CD1 3.92Å; L127-L156 HydrophobicContact CD2-CG 4.25Å; L127-L156 WeakPolarHBondContact O-CA 3.45Å; L127-T157 PolarHBondContact O-N 3.07Å; L127-M158 HydrophobicContact CD2-SD 3.92Å; L127-M158 HydrophobicContact CG-SD 4.29Å; L127-M158 PolarHBondContact O-N 3.12Å; L127-L187 HydrophobicContact CD1-CD2 4.07Å; L127-L187 HydrophobicContact CD2-CD2 4Å; L127-L187 HydrophobicContact CG-CD2 4.46Å; L127-F190 HydrophobicContact CD2-CD2 4.31Å; L127-L192 HydrophobicContact CD2-CD1 3.78Å
128T98.3Very high98.5Very high40 Ų4016.1 Ų16.125%0.2459%0.092CC..THydrogen-bonded Turntrans-102.87.6-179.258.20000113.8Y124 N125 A126 F149 L155 T157Y124-T128 HydrophobicContact CD2-CG2 4.38Å; Y124-T128 HydrophobicContact CE1-CG2 4.21Å; Y124-T128 HydrophobicContact CE2-CG2 3.93Å; Y124-T128 WeakPolarHBondContact O-CB 3.41Å; Y124-T128 WeakPolarHBondContact O-CG2 3.4Å; Y124-T128 PolarHBondContact O-N 3.09Å; Y124-T128 VanDerWaalsContact O-N 3.1Å; Y124-T128 PolarHBondContact O-OG1 2.9Å; N125-T128 PolarHBondContact O-N 3.34Å; N125-T128 PolarHBondContact O-OG1 3.45Å; A126-T128 PolarHBondContact O-N 3.41Å; T128-F149 HydrophobicContact CG2-CE1 3.84Å; T128-F149 HydrophobicContact CG2-CZ 3.72Å; T128-L155 HydrophobicContact CG2-CD1 3.75Å; T128-L155 HydrophobicContact CG2-CG 3.96Å; T128-T157 WeakPolarHBondContact CA-OG1 3.21Å; T128-T157 PolarHBondContact O-OG1 3.5Å
129S97.6Very high98.5Very high19 Ų1916.1 Ų16.113%0.1339%0.092CC..  trans-110.6146179.5-178.80000111.6N125 A126 L131 T157 M158N125-S129 WeakPolarHBondContact O-CB 3.41Å; N125-S129 PolarHBondContact O-N 3.46Å; N125-S129 VanDerWaalsContact O-N 3.09Å; A126-S129 PolarHBondContact O-N 3.03Å; S129-L131 VanDerWaalsContact C-N 3.28Å; S129-L131 VanDerWaalsContact OG-CB 3.3Å; S129-L131 WeakPolarHBondContact OG-CB 3.46Å; S129-L131 VanDerWaalsContact OG-CG 3.22Å; S129-L131 WeakPolarHBondContact OG-CG 3.5Å; S129-L131 PolarHBondContact OG-N 3.05Å; S129-L131 VanDerWaalsContact OG-N 3.13Å; S129-T157 PolarHBondContact N-OG1 3Å; S129-T157 CarbonylContact O-C 3.42Å; S129-T157 VanDerWaalsContact O-C 3.26Å; S129-T157 PolarHBondContact O-OG1 3.33Å; S129-M158 WeakPolarHBondContact O-CA 3.42Å; S129-M158 PolarHBondContact O-N 3.31Å; S129-M158 VanDerWaalsContact O-N 3.16Å
130T97.8Very high98.5Very high110 Ų11016.1 Ų16.168%0.6759%0.092SC*.  trans-87.62.3170.856.10000112.8
131L98Very high98.5Very high53 Ų5316.1 Ų16.128%0.2779%0.092SC..  trans-73.3132.8-176.5-63.8178000111.6V97 I107 S129 Y133V97-L131 HydrophobicContact CG1-CD1 4.01Å; I107-L131 HydrophobicContact CD1-CB 4.06Å; I107-L131 HydrophobicContact CD1-CD1 4.16Å; I107-L131 HydrophobicContact CG1-CB 3.98Å; I107-L131 HydrophobicContact CG1-CD2 4.38Å; S129-L131 VanDerWaalsContact C-N 3.28Å; S129-L131 VanDerWaalsContact OG-CB 3.3Å; S129-L131 WeakPolarHBondContact OG-CB 3.46Å; S129-L131 VanDerWaalsContact OG-CG 3.22Å; S129-L131 WeakPolarHBondContact OG-CG 3.5Å; S129-L131 PolarHBondContact OG-N 3.05Å; S129-L131 VanDerWaalsContact OG-N 3.13Å; L131-Y133 VanDerWaalsContact C-N 3.27Å; L131-Y133 HydrophobicContact CB-CD2 4.37Å; L131-Y133 HydrophobicContact CB-CE2 4.1Å; L131-Y133 HydrophobicContact CD1-CE1 4.33Å; L131-Y133 PolarHBondContact O-N 2.95Å
132Q97.7Very high98.4Very high76 Ų7617 Ų1736%0.35510%0.095SC..  trans-8271.1174.9-172.871.4-81.100109.7I107 G108 P159 D161I107-Q132 CarbonylContact C-O 3.59Å; G108-Q132 WeakPolarHBondContact CA-O 3.4Å; G108-Q132 PolarHBondContact N-O 2.91Å; Q132-P159 HydrophobicContact CB-CG 4.48Å; Q132-D161 PolarHBondContact NE2-OD1 3.49Å; Q132-D161 PolarHBondContact OE1-OD1 2.83Å
133Y98.5Very high98.4Very high5 Ų517 Ų172%0.0210%0.095CC..  trans-57147.5174.9-69.4-66.2000111.1V97 I107 I110 I112 N125 L131 G135V97-Y133 HydrophobicContact CB-CE1 4.49Å; V97-Y133 HydrophobicContact CG1-CE1 3.81Å; V97-Y133 HydrophobicContact CG2-CE1 3.82Å; I107-Y133 HydrophobicContact CD1-CD1 3.62Å; I107-Y133 HydrophobicContact CD1-CE1 3.72Å; I107-Y133 HydrophobicContact CD1-CG 4.48Å; I110-Y133 HydrophobicContact CG2-CD1 4.42Å; I112-Y133 HydrophobicContact CD1-CD2 3.97Å; I112-Y133 HydrophobicContact CD1-CE1 4.19Å; I112-Y133 HydrophobicContact CD1-CE2 3.54Å; I112-Y133 HydrophobicContact CD1-CG 4.45Å; I112-Y133 HydrophobicContact CG1-CD1 4.31Å; I112-Y133 HydrophobicContact CG1-CD2 4.27Å; I112-Y133 HydrophobicContact CG1-CE1 4.31Å; I112-Y133 HydrophobicContact CG1-CE2 4.25Å; I112-Y133 HydrophobicContact CG1-CG 4.29Å; I112-Y133 HydrophobicContact CG2-CD1 4.14Å; I112-Y133 HydrophobicContact CG2-CE1 3.73Å; N125-Y133 PolarHBondContact OD1-OH 3.28Å; L131-Y133 VanDerWaalsContact C-N 3.27Å; L131-Y133 HydrophobicContact CB-CD2 4.37Å; L131-Y133 HydrophobicContact CB-CE2 4.1Å; L131-Y133 HydrophobicContact CD1-CE1 4.33Å; L131-Y133 PolarHBondContact O-N 2.95Å; Y133-G135 PolarHBondContact O-N 2.86Å
134G98.2Very high98.3Very high8 Ų817 Ų178%0.08210%0.095CC..SBendtrans-66-23.7172.600000113.2I107 G108 I110I107-G134 PolarHBondContact O-N 2.82Å; G108-G134 WeakPolarHBondContact O-CA 3.36Å; I110-G134 PolarHBondContact O-N 2.84Å
135G98.5Very high98.2Very high0 Ų016.9 Ų16.90%010%0.095CC..EExtended strand (participates in β ladder)trans178.4168.3171.100000112.8V111 I112 Y133 P163V111-G135 WeakPolarHBondContact CA-O 3.38Å; V111-G135 WeakPolarHBondContact CG1-O 3.41Å; I112-G135 PolarHBondContact N-O 2.87Å; Y133-G135 PolarHBondContact O-N 2.86Å; G135-P163 CarbonylContact C-O 3.53Å; G135-P163 VanDerWaalsContact CA-O 3.26Å; G135-P163 WeakPolarHBondContact CA-O 3.3Å
136V98.9Very high98.1Very high1 Ų117 Ų171%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-123.7129.8172.9-176.40000109I112 L123 A126 M158 V162 P163 V164 F165I112-V136 HydrophobicContact CG1-CG2 4.3Å; I112-V136 CarbonylContact O-C 3.58Å; I112-V136 VanDerWaalsContact O-CA 3.26Å; I112-V136 WeakPolarHBondContact O-CA 3.29Å; L123-V136 HydrophobicContact CD2-CG1 4.21Å; A126-V136 HydrophobicContact CB-CG1 4.3Å; A126-V136 HydrophobicContact CB-CG2 3.51Å; V136-M158 HydrophobicContact CG2-CE 3.9Å; V136-V162 HydrophobicContact CG2-CG1 3.97Å; V136-P163 PolarHBondContact N-O 3.1Å; V136-V164 HydrophobicContact CB-CG1 4.29Å; V136-V164 HydrophobicContact CB-CG2 4.23Å; V136-V164 HydrophobicContact CG1-CG1 4.49Å; V136-V164 CarbonylContact O-C 3.6Å; V136-V164 WeakPolarHBondContact O-CA 3.39Å; V136-F165 PolarHBondContact O-N 3.44Å
137V98.8Very high97.9Very high0 Ų020.6 Ų20.60%012%0.117CC..EExtended strand (participates in β ladder)trans-113128.8178.5174.70000110.2F23 V111 I112 G113 G114 F139 F165 L215 F218F23-V137 HydrophobicContact CE2-CG1 4.03Å; V111-V137 HydrophobicContact CG1-CG2 3.74Å; I112-V137 PolarHBondContact O-N 2.98Å; G113-V137 CarbonylContact C-O 3.59Å; G113-V137 WeakPolarHBondContact CA-O 3.49Å; G114-V137 PolarHBondContact N-O 2.9Å; G114-V137 VanDerWaalsContact N-O 3.07Å; V137-F139 HydrophobicContact CG1-CD1 3.62Å; V137-F139 HydrophobicContact CG1-CE1 3.36Å; V137-F139 HydrophobicContact CG1-CG 4.44Å; V137-F139 HydrophobicContact CG1-CZ 3.99Å; V137-F165 WeakPolarHBondContact CA-O 3.37Å; V137-F165 HydrophobicContact CG1-CD1 4.18Å; V137-F165 HydrophobicContact CG2-CB 4.35Å; V137-F165 HydrophobicContact CG2-CD1 4.34Å; V137-L215 HydrophobicContact CB-CD1 4.48Å; V137-L215 HydrophobicContact CG1-CD1 4Å; V137-L215 HydrophobicContact CG2-CD1 3.63Å; V137-F218 HydrophobicContact CG2-CD1 4.18Å; V137-F218 HydrophobicContact CG2-CE1 3.88Å
138A98.8Very high97.8Very high0 Ų024.4 Ų24.40%013%0.134CC..EExtended strand (participates in β ladder)trans-13595.1-172.100000110.7L123 C141 F165 Q166 C167L123-A138 HydrophobicContact CD1-CB 4.1Å; L123-A138 HydrophobicContact CD2-CB 4.07Å; L123-A138 HydrophobicContact CG-CB 4.07Å; A138-C141 VanDerWaalsContact CB-SG 3.54Å; A138-F165 PolarHBondContact N-O 2.97Å; A138-Q166 HydrophobicContact CB-CB 4.39Å; A138-Q166 HydrophobicContact CB-CG 4.12Å; A138-Q166 WeakPolarHBondContact O-CA 3.35Å; A138-C167 PolarHBondContact O-N 3.2Å
139F98.7Very high97.7Very high0 Ų022.6 Ų22.60%012%0.123CC..EExtended strand (participates in β ladder)trans-98.1125.3-178.6-70.73.9000111.3F23 W34 G114 F115 S116 V137 C141 F165 C167 E211 M212 L215F23-F139 HydrophobicContact CE2-CD2 4.3Å; F23-F139 HydrophobicContact CE2-CE2 4.46Å; F23-F139 AromaticContact CZ-CD2 3.96Å; F23-F139 HydrophobicContact CZ-CD2 3.96Å; F23-F139 HydrophobicContact CZ-CE2 4.44Å; F23-F139 HydrophobicContact CZ-CG 4.38Å; W34-F139 HydrophobicContact CH2-CD2 4.37Å; W34-F139 HydrophobicContact CZ3-CD2 4.06Å; W34-F139 HydrophobicContact CZ3-CE2 4.48Å; G114-F139 PolarHBondContact O-N 2.89Å; F115-F139 CarbonylContact C-O 3.54Å; F115-F139 WeakPolarHBondContact CA-O 3.06Å; F115-F139 HydrophobicContact CB-CB 4.37Å; F115-F139 HydrophobicContact CD2-CB 3.87Å; S116-F139 PolarHBondContact N-O 2.78Å; V137-F139 HydrophobicContact CG1-CD1 3.62Å; V137-F139 HydrophobicContact CG1-CE1 3.36Å; V137-F139 HydrophobicContact CG1-CG 4.44Å; V137-F139 HydrophobicContact CG1-CZ 3.99Å; F139-C141 PolarHBondContact O-N 2.94Å; F139-C141 VanDerWaalsContact O-N 3.07Å; F139-F165 AromaticContact CE1-CD1 3.89Å; F139-F165 HydrophobicContact CE1-CD1 3.89Å; F139-F165 AromaticContact CE1-CE1 3.7Å; F139-F165 HydrophobicContact CE1-CE1 3.7Å; F139-F165 HydrophobicContact CZ-CE1 4.21Å; F139-C167 HydrophobicContact CD1-CB 3.67Å; F139-C167 HydrophobicContact CE1-CB 3.91Å; F139-C167 HydrophobicContact CG-CB 4.45Å; F139-E211 HydrophobicContact CE1-CG 4.22Å; F139-E211 HydrophobicContact CE2-CG 4.14Å; F139-E211 HydrophobicContact CZ-CG 3.93Å; F139-M212 HydrophobicContact CE2-SD 3.82Å; F139-M212 HydrophobicContact CZ-SD 4.44Å; F139-L215 HydrophobicContact CE2-CD2 4.43Å; F139-L215 HydrophobicContact CZ-CB 4.09Å; F139-L215 HydrophobicContact CZ-CD1 4.45Å; F139-L215 HydrophobicContact CZ-CD2 3.93Å; F139-L215 HydrophobicContact CZ-CG 4.37Å
140S98.6Very high97.5Very high0 Ų027.3 Ų27.30%014%0.144CC..SBendtrans46.144.3171.8-60.80000113.1S116 C167 H205S116-S140 WeakPolarHBondContact CA-O 3.27Å; S140-C167 PolarHBondContact N-O 3.22Å; S140-H205 PolarHBondContact O-CE1 3.39Å
141C98.3Very high97.4Very high0 Ų026.6 Ų26.60%014%0.143CC..  trans-129.1-176.5-172.271.90000112.3S116 A138 F139S116-C141 WeakPolarHBondContact O-CB 3.07Å; A138-C141 VanDerWaalsContact CB-SG 3.54Å; F139-C141 PolarHBondContact O-N 2.94Å; F139-C141 VanDerWaalsContact O-N 3.07Å
142W97.9Very high97.3Very high18 Ų1826.2 Ų26.27%0.06815%0.145CC..  trans-135.9159.2177.566.7100.3000111.1Y70 I72 L75 S120 P144 I175 M179 T183Y70-W142 WeakPolarHBondContact OH-CZ2 3.29Å; I72-W142 HydrophobicContact CD1-CH2 4.26Å; L75-W142 HydrophobicContact CD2-CH2 3.94Å; L75-W142 HydrophobicContact CD2-CZ2 4.28Å; S120-W142 WeakPolarHBondContact CA-O 3.47Å; S120-W142 VanDerWaalsContact CB-O 3.3Å; S120-W142 WeakPolarHBondContact CB-O 3.43Å; S120-W142 PolarHBondContact OG-N 3.3Å; S120-W142 PolarHBondContact OG-O 3.43Å; W142-P144 WeakPolarHBondContact O-CD 3.4Å; W142-I175 HydrophobicContact CE3-CD1 3.69Å; W142-I175 HydrophobicContact CE3-CG1 4.09Å; W142-I175 HydrophobicContact CE3-CG2 3.9Å; W142-I175 HydrophobicContact CH2-CD1 4.07Å; W142-I175 HydrophobicContact CZ3-CD1 3.3Å; W142-I175 HydrophobicContact CZ3-CG1 3.85Å; W142-M179 HydrophobicContact CB-CB 4.25Å; W142-M179 HydrophobicContact CB-CE 3.97Å; W142-M179 HydrophobicContact CD2-CE 4.16Å; W142-M179 HydrophobicContact CG-CE 3.82Å; W142-T183 WeakPolarHBondContact CA-OG1 3.36Å
143L98Very high96.9Very high1 Ų127.2 Ų27.21%0.00516%0.158CC..  trans-75.6109.8167.4173.855.6000109.7L123 L127 H146 F149 T183 L186 F190L123-L143 HydrophobicContact CB-CD1 4.35Å; L127-L143 HydrophobicContact CD1-CD1 3.27Å; L127-L143 HydrophobicContact CD1-CD2 3.81Å; L127-L143 HydrophobicContact CD1-CG 4.19Å; L143-H146 HydrophobicContact CD2-CB 4.19Å; L143-H146 HydrophobicContact CG-CB 4.12Å; L143-H146 PolarHBondContact O-ND1 2.86Å; L143-F149 HydrophobicContact CD1-CD2 4.15Å; L143-F149 HydrophobicContact CD1-CE2 3.75Å; L143-F149 HydrophobicContact CD1-CZ 4.48Å; L143-F149 HydrophobicContact CD2-CD2 4.2Å; L143-F149 HydrophobicContact CG-CD2 4.34Å; L143-F149 HydrophobicContact CG-CE2 4.42Å; L143-T183 HydrophobicContact CB-CG2 3.73Å; L143-T183 PolarHBondContact N-OG1 2.96Å; L143-L186 HydrophobicContact CD2-CB 4.48Å; L143-L186 HydrophobicContact CD2-CD1 4.31Å; L143-F190 HydrophobicContact CD2-CE2 3.82Å; L143-F190 HydrophobicContact CD2-CZ 4.5Å
144P97.7Very high96.7Very high0 Ų032.7 Ų32.70%019%0.192CC..THydrogen-bonded Turntrans-69.6154.9173.632.7-37.9000110.2I86 S120 Y124 W142 H146I86-P144 HydrophobicContact CD1-CB 3.93Å; I86-P144 HydrophobicContact CG1-CB 4.5Å; I86-P144 HydrophobicContact CG2-CB 4.32Å; I86-P144 HydrophobicContact CG2-CG 4.07Å; S120-P144 VanDerWaalsContact O-CD 3.24Å; S120-P144 WeakPolarHBondContact O-CD 3.27Å; S120-P144 WeakPolarHBondContact O-CG 3.29Å; Y124-P144 HydrophobicContact CD2-CG 4.48Å; W142-P144 WeakPolarHBondContact O-CD 3.4Å; P144-H146 PolarHBondContact O-N 3.38Å; P144-H146 VanDerWaalsContact O-N 3.08Å
145L96.8Very high96.6Very high11 Ų1134.6 Ų34.66%0.05820%0.2CC..THydrogen-bonded Turntrans54.727.6178.1-50.7174.9000113.4Q81 E83 I86 Y124 T147 K148 F149Q81-L145 HydrophobicContact CB-CD2 3.91Å; E83-L145 HydrophobicContact CB-CD1 4.09Å; E83-L145 HydrophobicContact CB-CD2 3.96Å; E83-L145 HydrophobicContact CG-CD1 3.74Å; E83-L145 HydrophobicContact CG-CD2 4.39Å; I86-L145 HydrophobicContact CB-CD1 4.5Å; I86-L145 HydrophobicContact CD1-CD1 4.32Å; I86-L145 HydrophobicContact CD1-CD2 4.17Å; I86-L145 HydrophobicContact CD1-CG 4.04Å; I86-L145 HydrophobicContact CG2-CD1 4.2Å; Y124-L145 HydrophobicContact CD2-CD1 4.25Å; Y124-L145 HydrophobicContact CE2-CD1 3.72Å; L145-T147 PolarHBondContact O-N 3.24Å; L145-T147 VanDerWaalsContact O-N 3.16Å; L145-K148 HydrophobicContact CB-CB 4.4Å; L145-K148 WeakPolarHBondContact O-CA 3.28Å; L145-K148 WeakPolarHBondContact O-CB 3.3Å; L145-K148 PolarHBondContact O-N 2.95Å; L145-F149 WeakPolarHBondContact O-CD2 3.34Å; L145-F149 PolarHBondContact O-N 2.98Å
146H95.9Very high96.5Very high12 Ų1235.8 Ų35.86%0.05621%0.206CC..Hα-helixtrans-53.5-38-178.156.6-90.6000113E77 L143 P144 K148 F149 M150 L186E77-H146 PolarHBondContact O-CE1 2.74Å; L143-H146 HydrophobicContact CD2-CB 4.19Å; L143-H146 HydrophobicContact CG-CB 4.12Å; L143-H146 PolarHBondContact O-ND1 2.86Å; P144-H146 PolarHBondContact O-N 3.38Å; P144-H146 VanDerWaalsContact O-N 3.08Å; H146-K148 PolarHBondContact O-N 3.26Å; H146-F149 PolarHBondContact O-N 3.49Å; H146-F149 VanDerWaalsContact O-N 3.12Å; H146-M150 WeakPolarHBondContact O-CG 3.34Å; H146-M150 PolarHBondContact O-N 3.37Å; H146-L186 HydrophobicContact CB-CD1 3.52Å
147T95.1Very high96.5Very high77 Ų7738.5 Ų38.547%0.47222%0.223SC..Hα-helixtrans-60.6-30.8175.754.50000112.9L145 S151L145-T147 PolarHBondContact O-N 3.24Å; L145-T147 VanDerWaalsContact O-N 3.16Å; T147-S151 WeakPolarHBondContact O-CB 3.37Å; T147-S151 PolarHBondContact O-N 3.07Å; T147-S151 PolarHBondContact O-OG 2.86Å
148K95.8Very high96.4Very high81 Ų8138.8 Ų38.835%0.35223%0.225SC..Hα-helixtrans-73.1-39.2173.3-71.5-155.9171.4-157.20112.9E83 L145 H146 M150 S151 S152 L155E83-K148 WeakPolarHBondContact OE1-CE 3.15Å; E83-K148 IonicContact OE1-NZ 3.42Å; E83-K148 PolarHBondContact OE1-NZ 3.48Å; E83-K148 WeakPolarHBondContact OE2-CE 3.47Å; E83-K148 IonicContact OE2-NZ 2.71Å; E83-K148 PolarHBondContact OE2-NZ 3.16Å; L145-K148 HydrophobicContact CB-CB 4.4Å; L145-K148 WeakPolarHBondContact O-CA 3.28Å; L145-K148 WeakPolarHBondContact O-CB 3.3Å; L145-K148 PolarHBondContact O-N 2.95Å; H146-K148 PolarHBondContact O-N 3.26Å; K148-M150 PolarHBondContact O-N 2.63Å; K148-S151 PolarHBondContact O-N 2.88Å; K148-S151 PolarHBondContact O-OG 3.18Å; K148-S152 WeakPolarHBondContact O-CB 3.42Å; K148-S152 PolarHBondContact O-N 3.37Å; K148-L155 HydrophobicContact CB-CD2 4.18Å
149F96.2Very high96.3Very high3 Ų340.2 Ų40.21%0.01323%0.234CC..Hα-helixtrans-62.5-36.5173.4-73.4-78.4000111.4Y124 L127 T128 L143 L145 H146 L155 L156 F190Y124-F149 AromaticContact CD2-CE2 3.85Å; Y124-F149 HydrophobicContact CD2-CE2 3.85Å; Y124-F149 AromaticContact CD2-CZ 3.86Å; Y124-F149 HydrophobicContact CD2-CZ 3.86Å; Y124-F149 HydrophobicContact CE2-CE2 4.14Å; Y124-F149 HydrophobicContact CE2-CZ 4.04Å; L127-F149 HydrophobicContact CB-CE1 3.64Å; L127-F149 HydrophobicContact CB-CZ 3.69Å; L127-F149 HydrophobicContact CD1-CE1 4.42Å; L127-F149 HydrophobicContact CD1-CE2 4.4Å; L127-F149 HydrophobicContact CD1-CZ 4.15Å; T128-F149 HydrophobicContact CG2-CE1 3.84Å; T128-F149 HydrophobicContact CG2-CZ 3.72Å; L143-F149 HydrophobicContact CD1-CD2 4.15Å; L143-F149 HydrophobicContact CD1-CE2 3.75Å; L143-F149 HydrophobicContact CD1-CZ 4.48Å; L143-F149 HydrophobicContact CD2-CD2 4.2Å; L143-F149 HydrophobicContact CG-CD2 4.34Å; L143-F149 HydrophobicContact CG-CE2 4.42Å; L145-F149 WeakPolarHBondContact O-CD2 3.34Å; L145-F149 PolarHBondContact O-N 2.98Å; H146-F149 PolarHBondContact O-N 3.49Å; H146-F149 VanDerWaalsContact O-N 3.12Å; F149-L155 HydrophobicContact CD1-CB 4.27Å; F149-L155 HydrophobicContact CD1-CD2 3.86Å; F149-L155 HydrophobicContact CD1-CG 3.94Å; F149-L155 HydrophobicContact CD2-CD2 4.38Å; F149-L155 HydrophobicContact CE1-CB 4.43Å; F149-L155 HydrophobicContact CE1-CD2 3.83Å; F149-L155 HydrophobicContact CE1-CG 3.71Å; F149-L155 HydrophobicContact CE2-CD2 4.35Å; F149-L155 HydrophobicContact CG-CD2 4.15Å; F149-L155 HydrophobicContact CZ-CD2 4.09Å; F149-L155 HydrophobicContact CZ-CG 4.3Å; F149-L156 HydrophobicContact CD1-CB 4.29Å; F149-F190 HydrophobicContact CB-CE1 4.24Å; F149-F190 HydrophobicContact CB-CE2 4.11Å; F149-F190 HydrophobicContact CB-CZ 3.54Å; F149-F190 HydrophobicContact CG-CZ 4.4Å
150M94.1Very high96.2Very high117 Ų11744.2 Ų44.258%0.57625%0.251SS*.Hα-helixtrans-69.2-40.3175.9-65.6172.872.800112.7H146 K148 L186H146-M150 WeakPolarHBondContact O-CG 3.34Å; H146-M150 PolarHBondContact O-N 3.37Å; K148-M150 PolarHBondContact O-N 2.63Å; M150-L186 HydrophobicContact CE-CD2 4.49Å; M150-L186 HydrophobicContact CG-CD2 3.86Å; M150-L186 HydrophobicContact SD-CD2 3.77Å
151S95.7Very high96.1Very high95 Ų9547.5 Ų47.566%0.66427%0.269SS*.Hα-helixtrans-84.8-20.7-17868.60000114.2T147 K148T147-S151 WeakPolarHBondContact O-CB 3.37Å; T147-S151 PolarHBondContact O-N 3.07Å; T147-S151 PolarHBondContact O-OG 2.86Å; K148-S151 PolarHBondContact O-N 2.88Å; K148-S151 PolarHBondContact O-OG 3.18Å
152S94.9Very high96.1Very high46 Ų4647.5 Ų47.532%0.32227%0.269SS..  trans-132.582.3179.8-171.10000110.7K148 T154 L155K148-S152 WeakPolarHBondContact O-CB 3.42Å; K148-S152 PolarHBondContact O-N 3.37Å; S152-T154 PolarHBondContact O-N 3.03Å; S152-T154 PolarHBondContact OG-OG1 2.95Å; S152-L155 VanDerWaalsContact O-CB 3.23Å; S152-L155 WeakPolarHBondContact O-CB 3.41Å; S152-L155 PolarHBondContact O-N 3.44Å
153P89Confident96.1Very high96 Ų9647.2 Ų47.262%0.62327%0.269SS*.G310 helixtrans-57.7-24.2179.8-27.135.9000114.1L155 L156P153-L155 PolarHBondContact O-N 3.28Å; P153-L156 PolarHBondContact O-N 3.48Å
154T94.5Very high96.2Very high120 Ų12047.2 Ų47.274%0.73627%0.269SS*.G310 helixtrans-67.1-17.3175.8520000113.8S152 L156S152-T154 PolarHBondContact O-N 3.03Å; S152-T154 PolarHBondContact OG-OG1 2.95Å; T154-L156 PolarHBondContact O-N 3.46Å
155L95.8Very high96.2Very high48 Ų4847.3 Ų47.325%0.25127%0.27SS..G310 helixtrans-67.4-27.4173.7-177.960.6000111.6T128 K148 F149 S152 P153 T157T128-L155 HydrophobicContact CG2-CD1 3.75Å; T128-L155 HydrophobicContact CG2-CG 3.96Å; K148-L155 HydrophobicContact CB-CD2 4.18Å; F149-L155 HydrophobicContact CD1-CB 4.27Å; F149-L155 HydrophobicContact CD1-CD2 3.86Å; F149-L155 HydrophobicContact CD1-CG 3.94Å; F149-L155 HydrophobicContact CD2-CD2 4.38Å; F149-L155 HydrophobicContact CE1-CB 4.43Å; F149-L155 HydrophobicContact CE1-CD2 3.83Å; F149-L155 HydrophobicContact CE1-CG 3.71Å; F149-L155 HydrophobicContact CE2-CD2 4.35Å; F149-L155 HydrophobicContact CG-CD2 4.15Å; F149-L155 HydrophobicContact CZ-CD2 4.09Å; F149-L155 HydrophobicContact CZ-CG 4.3Å; S152-L155 VanDerWaalsContact O-CB 3.23Å; S152-L155 WeakPolarHBondContact O-CB 3.41Å; S152-L155 PolarHBondContact O-N 3.44Å; P153-L155 PolarHBondContact O-N 3.28Å; L155-T157 PolarHBondContact O-N 3.19Å
156L97.2Very high96.3Very high25 Ų2546.8 Ų46.813%0.13127%0.267CS..  trans-84.5112.3-179.9-168.9155.7000110.5L127 F149 P153 T154 F190L127-L156 HydrophobicContact CD2-CD1 3.92Å; L127-L156 HydrophobicContact CD2-CG 4.25Å; L127-L156 WeakPolarHBondContact O-CA 3.45Å; F149-L156 HydrophobicContact CD1-CB 4.29Å; P153-L156 PolarHBondContact O-N 3.48Å; T154-L156 PolarHBondContact O-N 3.46Å; L156-F190 HydrophobicContact CD1-CB 3.39Å; L156-F190 HydrophobicContact CD1-CD1 3.91Å; L156-F190 HydrophobicContact CD1-CD2 3.48Å; L156-F190 VanDerWaalsContact CD1-CD2 3.48Å; L156-F190 HydrophobicContact CD1-CE2 4.24Å; L156-F190 HydrophobicContact CD1-CG 3.3Å
157T97.7Very high96.5Very high59 Ų5946.2 Ų46.236%0.36226%0.264SS..  trans-122-5-176.155.30000113.7L127 T128 S129 L155L127-T157 PolarHBondContact O-N 3.07Å; T128-T157 WeakPolarHBondContact CA-OG1 3.21Å; T128-T157 PolarHBondContact O-OG1 3.5Å; S129-T157 PolarHBondContact N-OG1 3Å; S129-T157 CarbonylContact O-C 3.42Å; S129-T157 VanDerWaalsContact O-C 3.26Å; S129-T157 PolarHBondContact O-OG1 3.33Å; L155-T157 PolarHBondContact O-N 3.19Å
158M97.7Very high96.6Very high6 Ų642.6 Ų42.63%0.0324%0.242CC..  trans-56.4132.3178-168.9174170.600113.3A126 L127 S129 V136 K160 V162 V164 L192A126-M158 HydrophobicContact CB-CE 4.11Å; A126-M158 HydrophobicContact CB-SD 3.83Å; A126-M158 VanDerWaalsContact O-CB 3.25Å; A126-M158 WeakPolarHBondContact O-CB 3.28Å; A126-M158 WeakPolarHBondContact O-CG 3.25Å; L127-M158 HydrophobicContact CD2-SD 3.92Å; L127-M158 HydrophobicContact CG-SD 4.29Å; L127-M158 PolarHBondContact O-N 3.12Å; S129-M158 WeakPolarHBondContact O-CA 3.42Å; S129-M158 PolarHBondContact O-N 3.31Å; S129-M158 VanDerWaalsContact O-N 3.16Å; V136-M158 HydrophobicContact CG2-CE 3.9Å; M158-K160 PolarHBondContact O-N 2.79Å; M158-V162 HydrophobicContact CE-CB 3.44Å; M158-V162 VanDerWaalsContact CE-CB 3.44Å; M158-V162 HydrophobicContact CE-CG1 3.41Å; M158-V162 VanDerWaalsContact CE-CG1 3.41Å; M158-V162 HydrophobicContact CE-CG2 4.2Å; M158-V162 HydrophobicContact CG-CG2 4.47Å; M158-V164 HydrophobicContact CE-CG2 3.81Å; M158-L192 HydrophobicContact CG-CD2 4.45Å; M158-L192 HydrophobicContact SD-CD1 4.14Å; M158-L192 HydrophobicContact SD-CD2 4.25Å
159P97.5Very high96.8Very high29 Ų2938.7 Ų38.719%0.18823%0.225CC..  trans-57135.8168.3-21.231.9000111.4Q132 D161 V162Q132-P159 HydrophobicContact CB-CG 4.48Å; P159-D161 PolarHBondContact O-N 3.09Å; P159-V162 HydrophobicContact CB-CG2 4.11Å; P159-V162 HydrophobicContact CG-CG2 4.37Å; P159-V162 PolarHBondContact O-N 2.71Å
160K96.7Very high96.9Very high85 Ų8542.4 Ų42.437%0.3725%0.245SC..THydrogen-bonded Turntrans-72-12.1-168.3-58.6-57.1-172.2177.70114.9M158 F190 L192 S193M158-K160 PolarHBondContact O-N 2.79Å; K160-F190 PolarHBondContact NZ-O 3.1Å; K160-L192 HydrophobicContact CD-CD2 3.95Å; K160-S193 PolarHBondContact O-N 3.11Å; K160-S193 PolarHBondContact O-OG 3.3Å
161D96.3Very high97Very high69 Ų6941 Ų4137%0.36924%0.236SC..THydrogen-bonded Turntrans-108.54.6-174.668.7-43.1000113.7Q132 P159 P163 K194Q132-D161 PolarHBondContact NE2-OD1 3.49Å; Q132-D161 PolarHBondContact OE1-OD1 2.83Å; P159-D161 PolarHBondContact O-N 3.09Å; D161-P163 WeakPolarHBondContact O-CD 3.38Å; D161-K194 VanDerWaalsContact O-CD 3.28Å; D161-K194 WeakPolarHBondContact O-CD 3.46Å; D161-K194 WeakPolarHBondContact O-CE 3.46Å; D161-K194 PolarHBondContact O-NZ 2.91Å
162V98.1Very high97.2Very high0 Ų036.7 Ų36.70%021%0.206CC..  trans-63.9123.4167.7175.80000109V136 M158 P159V136-V162 HydrophobicContact CG2-CG1 3.97Å; M158-V162 HydrophobicContact CE-CB 3.44Å; M158-V162 VanDerWaalsContact CE-CB 3.44Å; M158-V162 HydrophobicContact CE-CG1 3.41Å; M158-V162 VanDerWaalsContact CE-CG1 3.41Å; M158-V162 HydrophobicContact CE-CG2 4.2Å; M158-V162 HydrophobicContact CG-CG2 4.47Å; P159-V162 HydrophobicContact CB-CG2 4.11Å; P159-V162 HydrophobicContact CG-CG2 4.37Å; P159-V162 PolarHBondContact O-N 2.71Å
163P98.3Very high97.2Very high11 Ų1143.8 Ų43.87%0.07123%0.227CC..  trans-66135.3176-18.931.9000112.2G135 V136 D161 K194 F218 N222G135-P163 CarbonylContact C-O 3.53Å; G135-P163 VanDerWaalsContact CA-O 3.26Å; G135-P163 WeakPolarHBondContact CA-O 3.3Å; V136-P163 PolarHBondContact N-O 3.1Å; D161-P163 WeakPolarHBondContact O-CD 3.38Å; P163-K194 CarbonylContact C-O 3.56Å; P163-K194 WeakPolarHBondContact CA-O 3.48Å; P163-K194 HydrophobicContact CB-CB 4.42Å; P163-K194 HydrophobicContact CG-CD 4.2Å; P163-F218 HydrophobicContact CB-CE2 3.59Å; P163-F218 HydrophobicContact CB-CZ 3.83Å; P163-N222 HydrophobicContact CG-CB 4.21Å; P163-N222 VanDerWaalsContact CG-OD1 3.22Å; P163-N222 WeakPolarHBondContact CG-OD1 3.43Å
164V98.7Very high97.6Very high1 Ų142.5 Ų42.51%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-120.9114.9173.5-174.30000109.6L123 V136 M158 L187 K194 C195 E196L123-V164 HydrophobicContact CD2-CG1 4.29Å; V136-V164 HydrophobicContact CB-CG1 4.29Å; V136-V164 HydrophobicContact CB-CG2 4.23Å; V136-V164 HydrophobicContact CG1-CG1 4.49Å; V136-V164 CarbonylContact O-C 3.6Å; V136-V164 WeakPolarHBondContact O-CA 3.39Å; M158-V164 HydrophobicContact CE-CG2 3.81Å; V164-L187 HydrophobicContact CG1-CD1 3.98Å; V164-K194 PolarHBondContact N-O 3.24Å; V164-C195 HydrophobicContact CB-CB 4.27Å; V164-C195 WeakPolarHBondContact O-CA 3.35Å; V164-E196 PolarHBondContact O-N 2.99Å
165F98.7Very high97.7Very high2 Ų236.9 Ų36.91%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-96.996.2174.8-175.8-122.4000110V136 V137 A138 F139 C167 E196 N198 D214 L215 F218V136-F165 PolarHBondContact O-N 3.44Å; V137-F165 WeakPolarHBondContact CA-O 3.37Å; V137-F165 HydrophobicContact CG1-CD1 4.18Å; V137-F165 HydrophobicContact CG2-CB 4.35Å; V137-F165 HydrophobicContact CG2-CD1 4.34Å; A138-F165 PolarHBondContact N-O 2.97Å; F139-F165 AromaticContact CE1-CD1 3.89Å; F139-F165 HydrophobicContact CE1-CD1 3.89Å; F139-F165 AromaticContact CE1-CE1 3.7Å; F139-F165 HydrophobicContact CE1-CE1 3.7Å; F139-F165 HydrophobicContact CZ-CE1 4.21Å; F165-C167 WeakPolarHBondContact CE1-SG 3.33Å; F165-C167 WeakPolarHBondContact CZ-SG 3.48Å; F165-E196 HydrophobicContact CD2-CG 3.87Å; F165-E196 WeakPolarHBondContact CD2-OE1 3.24Å; F165-N198 WeakPolarHBondContact CE2-ND2 3.47Å; F165-D214 HydrophobicContact CE2-CB 4.3Å; F165-D214 VanDerWaalsContact CZ-C 3.49Å; F165-D214 HydrophobicContact CZ-CB 3.73Å; F165-L215 HydrophobicContact CD1-CD1 3.97Å; F165-L215 VanDerWaalsContact CE1-CA 3.49Å; F165-L215 HydrophobicContact CE1-CB 3.78Å; F165-L215 HydrophobicContact CE1-CD1 4.1Å; F165-L215 HydrophobicContact CZ-CB 4.49Å; F165-F218 HydrophobicContact CB-CB 4.45Å; F165-F218 HydrophobicContact CB-CD1 3.77Å; F165-F218 HydrophobicContact CB-CD2 3.61Å; F165-F218 HydrophobicContact CB-CE1 3.81Å; F165-F218 HydrophobicContact CB-CE2 3.64Å; F165-F218 HydrophobicContact CB-CG 3.67Å; F165-F218 HydrophobicContact CB-CZ 3.74Å; F165-F218 HydrophobicContact CD1-CB 4.37Å; F165-F218 HydrophobicContact CD1-CD1 4.37Å; F165-F218 HydrophobicContact CD1-CG 4.34Å; F165-F218 HydrophobicContact CD2-CB 4Å; F165-F218 HydrophobicContact CD2-CD2 4.11Å; F165-F218 HydrophobicContact CD2-CG 4.07Å; F165-F218 HydrophobicContact CE2-CB 4.21Å; F165-F218 HydrophobicContact CG-CB 4.05Å; F165-F218 HydrophobicContact CG-CD1 4.11Å; F165-F218 HydrophobicContact CG-CD2 4.05Å; F165-F218 AromaticContact CG-CG 3.8Å; F165-F218 HydrophobicContact CG-CG 3.8Å
166Q98.8Very high97.7Very high1 Ų137.3 Ų37.31%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-97134.3175.3-166.2-179.3-1800110.3A138 G180 E196 L197 N198A138-Q166 HydrophobicContact CB-CB 4.39Å; A138-Q166 HydrophobicContact CB-CG 4.12Å; A138-Q166 WeakPolarHBondContact O-CA 3.35Å; Q166-G180 VanDerWaalsContact NE2-C 3.31Å; Q166-G180 PolarHBondContact NE2-O 3.01Å; Q166-E196 WeakPolarHBondContact CB-O 3.49Å; Q166-E196 PolarHBondContact N-O 3.43Å; Q166-L197 HydrophobicContact CB-CD1 4.16Å; Q166-L197 HydrophobicContact CG-CD1 3.82Å; Q166-L197 CarbonylContact O-C 3.41Å; Q166-L197 WeakPolarHBondContact O-CA 3.36Å; Q166-N198 PolarHBondContact O-N 2.77Å
167C98.7Very high97.8Very high0 Ų038.6 Ų38.60%019%0.194CC..EExtended strand (participates in β ladder)trans-129.9141.3177.7-71.30000110.4A138 F139 S140 F165 N198 Y200 E211A138-C167 PolarHBondContact O-N 3.2Å; F139-C167 HydrophobicContact CD1-CB 3.67Å; F139-C167 HydrophobicContact CE1-CB 3.91Å; F139-C167 HydrophobicContact CG-CB 4.45Å; S140-C167 PolarHBondContact N-O 3.22Å; F165-C167 WeakPolarHBondContact CE1-SG 3.33Å; F165-C167 WeakPolarHBondContact CZ-SG 3.48Å; C167-N198 CarbonylContact C-O 3.49Å; C167-N198 WeakPolarHBondContact CA-O 3.19Å; C167-Y200 HydrophobicContact CB-CE2 3.67Å; C167-Y200 PolarHBondContact SG-OH 2.99Å; C167-E211 HydrophobicContact CB-CG 3.84Å; C167-E211 WeakPolarHBondContact CB-OE1 3.47Å
168H98.7Very high97.7Very high0 Ų039.1 Ų39.10%020%0.204CC..EExtended strand (participates in β ladder)trans-153138179.4-139.5110.5000112.4D172 I175 F177 L197 N198 C199 Y200H168-D172 IonicContact NE2-OD2 2.71Å; H168-I175 PolarHBondContact NE2-O 3.05Å; H168-F177 HydrophobicContact CB-CD2 3.91Å; H168-F177 HydrophobicContact CB-CE2 4.28Å; H168-L197 HydrophobicContact CB-CD1 4.34Å; H168-N198 PolarHBondContact N-O 2.76Å; H168-C199 WeakPolarHBondContact O-CA 3.36Å; H168-Y200 PolarHBondContact O-N 3.27Å
169G98.5Very high97.7Very high0 Ų039.7 Ų39.70%021%0.207CC..EExtended strand (participates in β ladder)trans-76.313817100000112.9E171 L203G169-E171 VanDerWaalsContact C-N 3.27Å; G169-E171 PolarHBondContact O-N 3.24Å; G169-L203 CarbonylContact C-O 3.52Å; G169-L203 VanDerWaalsContact C-O 3.3Å; G169-L203 WeakPolarHBondContact CA-O 3.46Å
170L98.4Very high97.7Very high81 Ų8138.3 Ų38.342%0.42420%0.198SC..THydrogen-bonded Turntrans-75.8-15.7178.7-66.3-179.3000113.3F177 C199 Y200 P201 L203L170-F177 HydrophobicContact CD2-CD1 3.79Å; L170-F177 HydrophobicContact CD2-CD2 3.88Å; L170-F177 HydrophobicContact CD2-CE1 3.89Å; L170-F177 HydrophobicContact CD2-CE2 3.99Å; L170-F177 HydrophobicContact CD2-CG 3.78Å; L170-F177 HydrophobicContact CD2-CZ 4Å; L170-C199 HydrophobicContact CD2-CB 3.96Å; L170-C199 HydrophobicContact CG-CB 4.23Å; L170-Y200 PolarHBondContact N-O 3.23Å; L170-P201 HydrophobicContact CD1-CG 4.39Å; L170-L203 PolarHBondContact N-O 3.18Å
171E98Very high97.8Very high86 Ų8639.6 Ų39.640%0.40220%0.203SC..THydrogen-bonded Turntrans-111.925.7178.4-64.6-175.4-151.600111.7G169 Y173 Q202 L203 S204G169-E171 VanDerWaalsContact C-N 3.27Å; G169-E171 PolarHBondContact O-N 3.24Å; E171-Y173 HydrophobicContact CB-CE2 4.36Å; E171-Y173 WeakPolarHBondContact O-CD2 3.38Å; E171-Y173 WeakPolarHBondContact O-CE2 3.33Å; E171-Y173 PolarHBondContact O-N 3.41Å; E171-Q202 WeakPolarHBondContact OE1-CA 3.48Å; E171-L203 CarbonylContact C-O 3.6Å; E171-L203 PolarHBondContact N-O 2.64Å; E171-S204 WeakPolarHBondContact O-CA 3.26Å
172D98.2Very high97.9Very high6 Ų638.6 Ų38.63%0.03220%0.198CC..  trans-74.6102.8174.2-170.7-18.4000110.6H168 T174 I175 P176 H205H168-D172 IonicContact NE2-OD2 2.71Å; D172-T174 PolarHBondContact OD1-N 2.93Å; D172-I175 WeakPolarHBondContact CB-O 3.22Å; D172-I175 PolarHBondContact OD1-N 3.45Å; D172-P176 VanDerWaalsContact O-CA 3.29Å; D172-P176 WeakPolarHBondContact O-CA 3.34Å; D172-H205 VanDerWaalsContact CG-ND1 3.35Å; D172-H205 VanDerWaalsContact OD1-CB 3.27Å; D172-H205 WeakPolarHBondContact OD1-CB 3.31Å; D172-H205 IonicContact OD1-CG 2.85Å; D172-H205 IonicContact OD1-ND1 3.61Å; D172-H205 PolarHBondContact OD1-ND1 2.71Å; D172-H205 IonicContact OD2-CE1 3.99Å; D172-H205 IonicContact OD2-CG 2.65Å; D172-H205 IonicContact OD2-ND1 2.74Å; D172-H205 PolarHBondContact OD2-ND1 2.71Å
173Y96.1Very high97.9Very high194 Ų19438.8 Ų38.876%0.76120%0.199SC*.SBendtrans-87.1-9.9176.7-63.5-74.7000113.8E171E171-Y173 HydrophobicContact CB-CE2 4.36Å; E171-Y173 WeakPolarHBondContact O-CD2 3.38Å; E171-Y173 WeakPolarHBondContact O-CE2 3.33Å; E171-Y173 PolarHBondContact O-N 3.41Å
174T96.4Very high97.9Very high70 Ų7039.4 Ų39.443%0.42920%0.2SC..SBendtrans-87-51178.2-57.30000110.1L75 D172L75-T174 HydrophobicContact CD1-CG2 4.32Å; D172-T174 PolarHBondContact OD1-N 2.93Å
175I96.9Very high97.8Very high1 Ų143 Ų431%0.00522%0.217CC..SBendtrans-118.891.2172.1-55-58.1000107.2L75 W142 H168 D172 F177 M179 H205L75-I175 HydrophobicContact CD1-CD1 4.11Å; L75-I175 HydrophobicContact CD2-CD1 3.84Å; L75-I175 HydrophobicContact CG-CD1 4.46Å; W142-I175 HydrophobicContact CE3-CD1 3.69Å; W142-I175 HydrophobicContact CE3-CG1 4.09Å; W142-I175 HydrophobicContact CE3-CG2 3.9Å; W142-I175 HydrophobicContact CH2-CD1 4.07Å; W142-I175 HydrophobicContact CZ3-CD1 3.3Å; W142-I175 HydrophobicContact CZ3-CG1 3.85Å; H168-I175 PolarHBondContact NE2-O 3.05Å; D172-I175 WeakPolarHBondContact CB-O 3.22Å; D172-I175 PolarHBondContact OD1-N 3.45Å; I175-F177 PolarHBondContact O-N 3.25Å; I175-M179 HydrophobicContact CG2-CB 4.28Å; I175-M179 HydrophobicContact CG2-SD 4.35Å; I175-H205 WeakPolarHBondContact CG1-CE1 3.21Å
176P97Very high97.8Very high58 Ų5843.5 Ų43.538%0.37722%0.22SC..  trans-49.5136.9-177.4-29.936.1000112.6D172 A178 M179D172-P176 VanDerWaalsContact O-CA 3.29Å; D172-P176 WeakPolarHBondContact O-CA 3.34Å; P176-A178 PolarHBondContact O-N 3.27Å; P176-M179 WeakPolarHBondContact O-CB 3.31Å; P176-M179 PolarHBondContact O-N 3.12Å
177F97.8Very high97.7Very high52 Ų5243.5 Ų43.523%0.22822%0.22CC..Hα-helixtrans-47.7-33.1177.5172.5-114.2000113.3H168 L170 I175 M179 G180 K181 L197 C199H168-F177 HydrophobicContact CB-CD2 3.91Å; H168-F177 HydrophobicContact CB-CE2 4.28Å; L170-F177 HydrophobicContact CD2-CD1 3.79Å; L170-F177 HydrophobicContact CD2-CD2 3.88Å; L170-F177 HydrophobicContact CD2-CE1 3.89Å; L170-F177 HydrophobicContact CD2-CE2 3.99Å; L170-F177 HydrophobicContact CD2-CG 3.78Å; L170-F177 HydrophobicContact CD2-CZ 4Å; I175-F177 PolarHBondContact O-N 3.25Å; F177-M179 PolarHBondContact O-N 2.96Å; F177-G180 PolarHBondContact O-N 3.18Å; F177-G180 VanDerWaalsContact O-N 3.1Å; F177-K181 HydrophobicContact CE1-CB 4.25Å; F177-K181 HydrophobicContact CE1-CD 4.15Å; F177-K181 HydrophobicContact CZ-CB 4.18Å; F177-K181 WeakPolarHBondContact O-CB 3.47Å; F177-K181 PolarHBondContact O-N 3.38Å; F177-L197 HydrophobicContact CE2-CD2 4.1Å; F177-L197 HydrophobicContact CZ-CD2 4.23Å; F177-C199 HydrophobicContact CE2-CB 4.45Å; F177-C199 WeakPolarHBondContact CE2-SG 3.48Å; F177-C199 VanDerWaalsContact CZ-SG 3.55Å
178A97Very high97.6Very high69 Ų6948.6 Ų48.657%0.5724%0.242SC*.Hα-helixtrans-54.3-36.117500000113.5P176 K181 L182P176-A178 PolarHBondContact O-N 3.27Å; A178-K181 PolarHBondContact O-N 3.05Å; A178-L182 WeakPolarHBondContact O-CB 3.41Å; A178-L182 PolarHBondContact O-N 3.45Å
179M97.4Very high97.5Very high19 Ų1953.5 Ų53.59%0.09427%0.272CS..Hα-helixtrans-70.3-40.7176.5-64.1-177.166.800111.9W142 I175 P176 F177 T183W142-M179 HydrophobicContact CB-CB 4.25Å; W142-M179 HydrophobicContact CB-CE 3.97Å; W142-M179 HydrophobicContact CD2-CE 4.16Å; W142-M179 HydrophobicContact CG-CE 3.82Å; I175-M179 HydrophobicContact CG2-CB 4.28Å; I175-M179 HydrophobicContact CG2-SD 4.35Å; P176-M179 WeakPolarHBondContact O-CB 3.31Å; P176-M179 PolarHBondContact O-N 3.12Å; F177-M179 PolarHBondContact O-N 2.96Å; M179-T183 PolarHBondContact O-N 3.46Å; M179-T183 PolarHBondContact O-OG1 2.94Å
180G97.8Very high97.4Very high0 Ų054.6 Ų54.60%028%0.277CS..Hα-helixtrans-63.2-45171.900000111.5Q166 F177 L182 T183 H184Q166-G180 VanDerWaalsContact NE2-C 3.31Å; Q166-G180 PolarHBondContact NE2-O 3.01Å; F177-G180 PolarHBondContact O-N 3.18Å; F177-G180 VanDerWaalsContact O-N 3.1Å; G180-L182 PolarHBondContact O-N 3.01Å; G180-T183 VanDerWaalsContact O-CB 3.26Å; G180-T183 WeakPolarHBondContact O-CB 3.44Å; G180-T183 PolarHBondContact O-N 2.97Å; G180-H184 PolarHBondContact O-N 3.47Å
181K98.2Very high97.2Very high111 Ų11158 Ų5848%0.48329%0.291SS..Hα-helixtrans-60.9-45.2176.2-174.5177.4178.8179.50112.2F177 A178 T183 H184 E185F177-K181 HydrophobicContact CE1-CB 4.25Å; F177-K181 HydrophobicContact CE1-CD 4.15Å; F177-K181 HydrophobicContact CZ-CB 4.18Å; F177-K181 WeakPolarHBondContact O-CB 3.47Å; F177-K181 PolarHBondContact O-N 3.38Å; A178-K181 PolarHBondContact O-N 3.05Å; K181-T183 VanDerWaalsContact C-N 3.28Å; K181-T183 PolarHBondContact O-N 3.48Å; K181-H184 PolarHBondContact O-N 3.17Å; K181-E185 PolarHBondContact O-N 2.91Å
182L97.4Very high97.1Very high49 Ų4954.2 Ų54.226%0.25727%0.273SS..Hα-helixtrans-57.6-44.8174.8174.461.4000111.1E77 A178 G180 H184 E185 L186E77-L182 HydrophobicContact CG-CD2 3.7Å; A178-L182 WeakPolarHBondContact O-CB 3.41Å; A178-L182 PolarHBondContact O-N 3.45Å; G180-L182 PolarHBondContact O-N 3.01Å; L182-H184 VanDerWaalsContact C-N 3.33Å; L182-H184 PolarHBondContact O-N 2.81Å; L182-E185 PolarHBondContact O-N 2.85Å; L182-L186 HydrophobicContact CD1-CD1 4.19Å; L182-L186 HydrophobicContact CD1-CG 4.24Å; L182-L186 HydrophobicContact CG-CD1 4.1Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 3.19Å
183T98.1Very high96.8Very high3 Ų358.1 Ų58.12%0.01830%0.301CS..Hα-helixtrans-54.5-50.9174.8-61.20000110.9L123 W142 L143 M179 G180 K181 E185 L186 L187L123-T183 HydrophobicContact CD1-CG2 3.82Å; W142-T183 WeakPolarHBondContact CA-OG1 3.36Å; L143-T183 HydrophobicContact CB-CG2 3.73Å; L143-T183 PolarHBondContact N-OG1 2.96Å; M179-T183 PolarHBondContact O-N 3.46Å; M179-T183 PolarHBondContact O-OG1 2.94Å; G180-T183 VanDerWaalsContact O-CB 3.26Å; G180-T183 WeakPolarHBondContact O-CB 3.44Å; G180-T183 PolarHBondContact O-N 2.97Å; K181-T183 VanDerWaalsContact C-N 3.28Å; K181-T183 PolarHBondContact O-N 3.48Å; T183-E185 PolarHBondContact O-N 3.46Å; T183-L186 WeakPolarHBondContact O-CB 3.13Å; T183-L186 PolarHBondContact O-N 2.99Å; T183-L187 HydrophobicContact CG2-CD1 4.37Å; T183-L187 WeakPolarHBondContact O-CG 3.4Å; T183-L187 PolarHBondContact O-N 3.03Å
184H98.4Very high96.8Very high24 Ų2453.6 Ų53.611%0.11129%0.285CS..Hα-helixtrans-61.3-42.8-180-173.968.8000113.3G180 K181 L182 L186 L187 K188 L197G180-H184 PolarHBondContact O-N 3.47Å; K181-H184 PolarHBondContact O-N 3.17Å; L182-H184 VanDerWaalsContact C-N 3.33Å; L182-H184 PolarHBondContact O-N 2.81Å; H184-L186 VanDerWaalsContact C-N 3.31Å; H184-L186 PolarHBondContact O-N 2.98Å; H184-L187 PolarHBondContact O-N 3.17Å; H184-K188 PolarHBondContact O-N 3.33Å; H184-L197 HydrophobicContact CB-CB 4.09Å; H184-L197 HydrophobicContact CB-CD2 3.82Å; H184-L197 HydrophobicContact CB-CG 4.45Å
185E97.9Very high96.8Very high76 Ų7651.5 Ų51.536%0.35527%0.273SS..Hα-helixtrans-65.7-34.1177.7-67.5-53.6148.200112.7K181 L182 T183 K188 T189K181-E185 PolarHBondContact O-N 2.91Å; L182-E185 PolarHBondContact O-N 2.85Å; T183-E185 PolarHBondContact O-N 3.46Å; E185-K188 PolarHBondContact O-N 3.46Å; E185-K188 IonicContact OE1-NZ 2.86Å; E185-K188 PolarHBondContact OE1-NZ 3.47Å; E185-K188 IonicContact OE2-NZ 2.69Å; E185-K188 PolarHBondContact OE2-NZ 2.85Å; E185-T189 PolarHBondContact O-N 3.22Å; E185-T189 PolarHBondContact O-OG1 2.76Å
186L97.3Very high96.9Very high13 Ų1354.6 Ų54.67%0.06829%0.288CS..Hα-helixtrans-66.4-44.9172.4-71.2169.3000111.6L143 H146 M150 L182 T183 H184 K188 T189 F190L143-L186 HydrophobicContact CD2-CB 4.48Å; L143-L186 HydrophobicContact CD2-CD1 4.31Å; H146-L186 HydrophobicContact CB-CD1 3.52Å; M150-L186 HydrophobicContact CE-CD2 4.49Å; M150-L186 HydrophobicContact CG-CD2 3.86Å; M150-L186 HydrophobicContact SD-CD2 3.77Å; L182-L186 HydrophobicContact CD1-CD1 4.19Å; L182-L186 HydrophobicContact CD1-CG 4.24Å; L182-L186 HydrophobicContact CG-CD1 4.1Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 3.19Å; T183-L186 WeakPolarHBondContact O-CB 3.13Å; T183-L186 PolarHBondContact O-N 2.99Å; H184-L186 VanDerWaalsContact C-N 3.31Å; H184-L186 PolarHBondContact O-N 2.98Å; L186-K188 PolarHBondContact O-N 3.19Å; L186-T189 CarbonylContact O-C 3.53Å; L186-T189 WeakPolarHBondContact O-CA 3.41Å; L186-T189 WeakPolarHBondContact O-CB 3.42Å; L186-T189 PolarHBondContact O-N 2.78Å; L186-F190 HydrophobicContact CB-CE2 3.93Å; L186-F190 HydrophobicContact CB-CZ 4.05Å; L186-F190 HydrophobicContact CD2-CZ 4.31Å; L186-F190 WeakPolarHBondContact O-CB 3.16Å; L186-F190 WeakPolarHBondContact O-CD2 3.34Å; L186-F190 WeakPolarHBondContact O-CG 3.26Å; L186-F190 PolarHBondContact O-N 3.43Å
187L97.7Very high96.9Very high1 Ų153.5 Ų53.51%0.00528%0.279CS..Hα-helixtrans-56.8-39.6175.5-63177.1000111.6L123 L127 V164 T183 H184 F190 Q191 L192 C195L123-L187 HydrophobicContact CD2-CD1 4.49Å; L127-L187 HydrophobicContact CD1-CD2 4.07Å; L127-L187 HydrophobicContact CD2-CD2 4Å; L127-L187 HydrophobicContact CG-CD2 4.46Å; V164-L187 HydrophobicContact CG1-CD1 3.98Å; T183-L187 HydrophobicContact CG2-CD1 4.37Å; T183-L187 WeakPolarHBondContact O-CG 3.4Å; T183-L187 PolarHBondContact O-N 3.03Å; H184-L187 PolarHBondContact O-N 3.17Å; L187-F190 WeakPolarHBondContact O-CB 3.43Å; L187-F190 PolarHBondContact O-N 3.23Å; L187-Q191 PolarHBondContact O-N 3.43Å; L187-L192 HydrophobicContact CB-CD1 4.1Å; L187-L192 HydrophobicContact CD2-CD1 3.61Å; L187-L192 HydrophobicContact CG-CD1 4.37Å; L187-L192 WeakPolarHBondContact O-CB 3.33Å; L187-L192 PolarHBondContact O-N 3Å; L187-C195 HydrophobicContact CB-CB 4.41Å
188K96.7Very high97Very high107 Ų10753.2 Ų53.247%0.46528%0.279SS..Hα-helixtrans-65.7-43.2173.5-73.616960.5-1560112.6H184 E185 L186 F190 Q191H184-K188 PolarHBondContact O-N 3.33Å; E185-K188 PolarHBondContact O-N 3.46Å; E185-K188 IonicContact OE1-NZ 2.86Å; E185-K188 PolarHBondContact OE1-NZ 3.47Å; E185-K188 IonicContact OE2-NZ 2.69Å; E185-K188 PolarHBondContact OE2-NZ 2.85Å; L186-K188 PolarHBondContact O-N 3.19Å; K188-F190 PolarHBondContact O-N 3.22Å; K188-Q191 WeakPolarHBondContact O-CA 3.48Å; K188-Q191 PolarHBondContact O-N 3.31Å
189T95.9Very high97Very high103 Ų10352.4 Ų52.463%0.63227%0.269SS*.Hα-helixtrans-62.2-32.6175.8-62.70000111.4E185 L186 Q191E185-T189 PolarHBondContact O-N 3.22Å; E185-T189 PolarHBondContact O-OG1 2.76Å; L186-T189 CarbonylContact O-C 3.53Å; L186-T189 WeakPolarHBondContact O-CA 3.41Å; L186-T189 WeakPolarHBondContact O-CB 3.42Å; L186-T189 PolarHBondContact O-N 2.78Å; T189-Q191 PolarHBondContact O-N 3.07Å
190F96Very high97.1Very high24 Ų2451.8 Ų51.811%0.10527%0.266CS..THydrogen-bonded Turntrans-74.74.1172.8-59.4-25000114.3L127 L143 F149 L156 K160 L186 L187 K188 L192L127-F190 HydrophobicContact CD2-CD2 4.31Å; L143-F190 HydrophobicContact CD2-CE2 3.82Å; L143-F190 HydrophobicContact CD2-CZ 4.5Å; F149-F190 HydrophobicContact CB-CE1 4.24Å; F149-F190 HydrophobicContact CB-CE2 4.11Å; F149-F190 HydrophobicContact CB-CZ 3.54Å; F149-F190 HydrophobicContact CG-CZ 4.4Å; L156-F190 HydrophobicContact CD1-CB 3.39Å; L156-F190 HydrophobicContact CD1-CD1 3.91Å; L156-F190 HydrophobicContact CD1-CD2 3.48Å; L156-F190 VanDerWaalsContact CD1-CD2 3.48Å; L156-F190 HydrophobicContact CD1-CE2 4.24Å; L156-F190 HydrophobicContact CD1-CG 3.3Å; K160-F190 PolarHBondContact NZ-O 3.1Å; L186-F190 HydrophobicContact CB-CE2 3.93Å; L186-F190 HydrophobicContact CB-CZ 4.05Å; L186-F190 HydrophobicContact CD2-CZ 4.31Å; L186-F190 WeakPolarHBondContact O-CB 3.16Å; L186-F190 WeakPolarHBondContact O-CD2 3.34Å; L186-F190 WeakPolarHBondContact O-CG 3.26Å; L186-F190 PolarHBondContact O-N 3.43Å; L187-F190 WeakPolarHBondContact O-CB 3.43Å; L187-F190 PolarHBondContact O-N 3.23Å; K188-F190 PolarHBondContact O-N 3.22Å; F190-L192 HydrophobicContact CB-CG 4.32Å; F190-L192 PolarHBondContact O-N 3.08Å
191Q95.5Very high97.1Very high151 Ų15156.3 Ų56.371%0.70630%0.295SS*.THydrogen-bonded Turntrans60.630.4178.2-54.2170.5800112.9L187 K188 T189 S193L187-Q191 PolarHBondContact O-N 3.43Å; K188-Q191 WeakPolarHBondContact O-CA 3.48Å; K188-Q191 PolarHBondContact O-N 3.31Å; T189-Q191 PolarHBondContact O-N 3.07Å; Q191-S193 PolarHBondContact O-N 3.38Å
192L95.8Very high97Very high7 Ų758.6 Ų58.64%0.03731%0.307CS..  trans-75.3108.5170.4-62.5178.5000108.4L127 M158 K160 L187 F190 K194 C195L127-L192 HydrophobicContact CD2-CD1 3.78Å; M158-L192 HydrophobicContact CG-CD2 4.45Å; M158-L192 HydrophobicContact SD-CD1 4.14Å; M158-L192 HydrophobicContact SD-CD2 4.25Å; K160-L192 HydrophobicContact CD-CD2 3.95Å; L187-L192 HydrophobicContact CB-CD1 4.1Å; L187-L192 HydrophobicContact CD2-CD1 3.61Å; L187-L192 HydrophobicContact CG-CD1 4.37Å; L187-L192 WeakPolarHBondContact O-CB 3.33Å; L187-L192 PolarHBondContact O-N 3Å; F190-L192 HydrophobicContact CB-CG 4.32Å; F190-L192 PolarHBondContact O-N 3.08Å; L192-K194 VanDerWaalsContact C-N 3.32Å; L192-K194 PolarHBondContact O-N 3.19Å; L192-C195 WeakPolarHBondContact CB-SG 3.15Å
193S91.3Very high97.1Very high88 Ų8857 Ų5762%0.61530%0.299SS*.THydrogen-bonded Turntrans-76.1-17.6-164.759.90000114.3K160 Q191K160-S193 PolarHBondContact O-N 3.11Å; K160-S193 PolarHBondContact O-OG 3.3Å; Q191-S193 PolarHBondContact O-N 3.38Å
194K96.7Very high97.1Very high100 Ų10059.8 Ų59.844%0.43532%0.319SS..THydrogen-bonded Turntrans-122.343.5-174.4-59.8-169.7-162.31510112.3D161 P163 V164 L192D161-K194 VanDerWaalsContact O-CD 3.28Å; D161-K194 WeakPolarHBondContact O-CD 3.46Å; D161-K194 WeakPolarHBondContact O-CE 3.46Å; D161-K194 PolarHBondContact O-NZ 2.91Å; P163-K194 CarbonylContact C-O 3.56Å; P163-K194 WeakPolarHBondContact CA-O 3.48Å; P163-K194 HydrophobicContact CB-CB 4.42Å; P163-K194 HydrophobicContact CG-CD 4.2Å; V164-K194 PolarHBondContact N-O 3.24Å; L192-K194 VanDerWaalsContact C-N 3.32Å; L192-K194 PolarHBondContact O-N 3.19Å
195C97Very high97Very high25 Ų2560.8 Ų60.817%0.16932%0.323CS..EExtended strand (participates in β ladder)trans-98.1132.4174.3-60.40000111V164 L187 L192V164-C195 HydrophobicContact CB-CB 4.27Å; V164-C195 WeakPolarHBondContact O-CA 3.35Å; L187-C195 HydrophobicContact CB-CB 4.41Å; L192-C195 WeakPolarHBondContact CB-SG 3.15Å
196E97.4Very high97Very high67 Ų6760 Ų6031%0.31333%0.326SS..EExtended strand (participates in β ladder)trans-122.7147.4171.363.2-164168.900110.7V164 F165 Q166 F218V164-E196 PolarHBondContact O-N 2.99Å; F165-E196 HydrophobicContact CD2-CG 3.87Å; F165-E196 WeakPolarHBondContact CD2-OE1 3.24Å; Q166-E196 WeakPolarHBondContact CB-O 3.49Å; Q166-E196 PolarHBondContact N-O 3.43Å; E196-F218 WeakPolarHBondContact OE1-CD2 3.35Å
197L98.5Very high97Very high35 Ų3561.1 Ų61.118%0.18334%0.335CS..EExtended strand (participates in β ladder)trans-122.9106.6172171.962.6000108.8Q166 H168 F177 H184Q166-L197 HydrophobicContact CB-CD1 4.16Å; Q166-L197 HydrophobicContact CG-CD1 3.82Å; Q166-L197 CarbonylContact O-C 3.41Å; Q166-L197 WeakPolarHBondContact O-CA 3.36Å; H168-L197 HydrophobicContact CB-CD1 4.34Å; F177-L197 HydrophobicContact CE2-CD2 4.1Å; F177-L197 HydrophobicContact CZ-CD2 4.23Å; H184-L197 HydrophobicContact CB-CB 4.09Å; H184-L197 HydrophobicContact CB-CD2 3.82Å; H184-L197 HydrophobicContact CB-CG 4.45Å
198N98.6Very high97Very high45 Ų4563 Ų6324%0.24135%0.348CS..EExtended strand (participates in β ladder)trans-93.6128.8174.3-70-7.9000110F165 Q166 C167 H168 Y200F165-N198 WeakPolarHBondContact CE2-ND2 3.47Å; Q166-N198 PolarHBondContact O-N 2.77Å; C167-N198 CarbonylContact C-O 3.49Å; C167-N198 WeakPolarHBondContact CA-O 3.19Å; H168-N198 PolarHBondContact N-O 2.76Å; N198-Y200 HydrophobicContact CB-CE2 3.89Å; N198-Y200 WeakPolarHBondContact CB-OH 3.49Å; N198-Y200 WeakPolarHBondContact O-CE2 3.18Å
199C98.1Very high97Very high53 Ų5365.2 Ų65.236%0.35836%0.36SS..EExtended strand (participates in β ladder)trans-112.5137.7-177.8-54.20000109.8H168 L170 F177H168-C199 WeakPolarHBondContact O-CA 3.36Å; L170-C199 HydrophobicContact CD2-CB 3.96Å; L170-C199 HydrophobicContact CG-CB 4.23Å; F177-C199 HydrophobicContact CE2-CB 4.45Å; F177-C199 WeakPolarHBondContact CE2-SG 3.48Å; F177-C199 VanDerWaalsContact CZ-SG 3.55Å
200Y98.5Very high97.2Very high6 Ų666.4 Ų66.42%0.02436%0.356CS..EExtended strand (participates in β ladder)trans-119.7113-177.4-55.7-89.7000109.8C167 H168 L170 N198 L203 K210 E211 D214C167-Y200 HydrophobicContact CB-CE2 3.67Å; C167-Y200 PolarHBondContact SG-OH 2.99Å; H168-Y200 PolarHBondContact O-N 3.27Å; L170-Y200 PolarHBondContact N-O 3.23Å; N198-Y200 HydrophobicContact CB-CE2 3.89Å; N198-Y200 WeakPolarHBondContact CB-OH 3.49Å; N198-Y200 WeakPolarHBondContact O-CE2 3.18Å; Y200-L203 HydrophobicContact CD2-CD2 4.06Å; Y200-L203 HydrophobicContact CG-CD2 4.08Å; Y200-L203 PolarHBondContact O-N 2.95Å; Y200-K210 HydrophobicContact CD1-CB 4.41Å; Y200-K210 HydrophobicContact CD1-CD 4.12Å; Y200-K210 HydrophobicContact CD1-CG 4.35Å; Y200-K210 HydrophobicContact CE1-CB 4.39Å; Y200-K210 HydrophobicContact CE1-CD 4.2Å; Y200-K210 HydrophobicContact CE1-CG 4.1Å; Y200-E211 HydrophobicContact CD1-CB 4.23Å; Y200-E211 HydrophobicContact CD2-CB 4.31Å; Y200-E211 HydrophobicContact CD2-CG 4.4Å; Y200-E211 VanDerWaalsContact CE1-CA 3.49Å; Y200-E211 HydrophobicContact CE1-CB 3.78Å; Y200-E211 HydrophobicContact CE1-CG 4.47Å; Y200-E211 HydrophobicContact CE2-CB 3.89Å; Y200-E211 HydrophobicContact CE2-CG 3.76Å; Y200-E211 HydrophobicContact CG-CB 4.48Å; Y200-E211 VanDerWaalsContact CZ-CA 3.5Å; Y200-E211 WeakPolarHBondContact OH-CA 3.47Å; Y200-D214 WeakPolarHBondContact CE1-OD2 3.5Å; Y200-D214 PolarHBondContact OH-OD2 3.41Å
201P97.9Very high97.3Very high95 Ų9565.2 Ų65.262%0.61735%0.351SS*.THydrogen-bonded Turntrans-58144.4173.1-22.833.6000111.1L170 L203L170-P201 HydrophobicContact CD1-CG 4.39Å; P201-L203 PolarHBondContact O-N 3.48Å
202Q96.9Very high97.4Very high158 Ų15858.2 Ų58.274%0.73832%0.319SS*.THydrogen-bonded Turntrans63.4-1.5177.6-54.5168.613.800116E171 S204E171-Q202 WeakPolarHBondContact OE1-CA 3.48Å; Q202-S204 PolarHBondContact O-N 2.62Å
203L98.5Very high97.5Very high15 Ų1559.1 Ų59.18%0.07933%0.33CS..  trans-78.3122.5171.9-179.161.5000109G169 L170 E171 Y200 P201 C208G169-L203 CarbonylContact C-O 3.52Å; G169-L203 VanDerWaalsContact C-O 3.3Å; G169-L203 WeakPolarHBondContact CA-O 3.46Å; L170-L203 PolarHBondContact N-O 3.18Å; E171-L203 CarbonylContact C-O 3.6Å; E171-L203 PolarHBondContact N-O 2.64Å; Y200-L203 HydrophobicContact CD2-CD2 4.06Å; Y200-L203 HydrophobicContact CG-CD2 4.08Å; Y200-L203 PolarHBondContact O-N 2.95Å; P201-L203 PolarHBondContact O-N 3.48Å; L203-C208 HydrophobicContact CD1-CB 4.11Å
204S98.1Very high97.9Very high63 Ų6357 Ų5744%0.44131%0.312SS..  trans-85.8-154.7171.362.30000111.2E171 Q202 S206E171-S204 WeakPolarHBondContact O-CA 3.26Å; Q202-S204 PolarHBondContact O-N 2.62Å; S204-S206 PolarHBondContact O-N 3.1Å
205H97.9Very high97.9Very high45 Ų4552.3 Ų52.321%0.20829%0.291CS..SBendtrans-74.667.4174.2-15860.4000112.4F115 S116 S140 D172 I175F115-H205 AromaticContact CE1-CD2 3.86Å; F115-H205 AromaticContact CE1-NE2 3.53Å; F115-H205 AromaticContact CZ-CD2 3.66Å; F115-H205 AromaticContact CZ-CE1 3.76Å; F115-H205 AromaticContact CZ-CG 3.93Å; F115-H205 AromaticContact CZ-ND1 3.99Å; F115-H205 AromaticContact CZ-NE2 3.58Å; S116-H205 VanDerWaalsContact CB-CE1 3.49Å; S116-H205 WeakPolarHBondContact CB-CE1 3.23Å; S116-H205 VanDerWaalsContact CB-NE2 3.29Å; S116-H205 WeakPolarHBondContact CB-NE2 3.02Å; S116-H205 PolarHBondContact OG-CE1 2.94Å; S116-H205 VanDerWaalsContact OG-CE1 3.26Å; S116-H205 PolarHBondContact OG-NE2 2.8Å; S140-H205 PolarHBondContact O-CE1 3.39Å; D172-H205 VanDerWaalsContact CG-ND1 3.35Å; D172-H205 VanDerWaalsContact OD1-CB 3.27Å; D172-H205 WeakPolarHBondContact OD1-CB 3.31Å; D172-H205 IonicContact OD1-CG 2.85Å; D172-H205 IonicContact OD1-ND1 3.61Å; D172-H205 PolarHBondContact OD1-ND1 2.71Å; D172-H205 IonicContact OD2-CE1 3.99Å; D172-H205 IonicContact OD2-CG 2.65Å; D172-H205 IonicContact OD2-ND1 2.74Å; D172-H205 PolarHBondContact OD2-ND1 2.71Å; I175-H205 WeakPolarHBondContact CG1-CE1 3.21Å
206S97.5Very high98Very high58 Ų5856.5 Ų56.541%0.40630%0.303SS..SBendtrans-153.7-165.3179.6-1610000110.1S204S204-S206 PolarHBondContact O-N 3.1Å
207S97Very high98Very high37 Ų3757.6 Ų57.626%0.25932%0.315SS..  trans-117165.5168.7610000111.3E211S207-E211 WeakPolarHBondContact CA-OE2 3.27Å; S207-E211 WeakPolarHBondContact CB-OE2 3.4Å
208C97.6Very high98Very high42 Ų4256.2 Ų56.228%0.28431%0.307SS..  trans-139.2163.1173.9710000112.4L203 K210 E211 M212L203-C208 HydrophobicContact CD1-CB 4.11Å; C208-K210 PolarHBondContact O-N 2.86Å; C208-E211 WeakPolarHBondContact O-CB 3.29Å; C208-E211 PolarHBondContact O-N 2.82Å; C208-E211 VanDerWaalsContact O-N 3.09Å; C208-E211 PolarHBondContact SG-N 2.87Å; C208-M212 WeakPolarHBondContact O-CG 3.33Å; C208-M212 PolarHBondContact O-N 3.48Å
209E97.3Very high98Very high153 Ų15354.1 Ų54.172%0.71530%0.296SS*.Hα-helixtrans-56.3-37.1-178.9-62.6-175.1170.300112.8M212 G213E209-M212 PolarHBondContact O-N 3.24Å; E209-G213 PolarHBondContact O-N 3.42Å
210K98.2Very high97.9Very high127 Ų12754.1 Ų54.155%0.55230%0.297SS*.Hα-helixtrans-64.6-47.2177.2-171.1-174.1177.1-62.20111.4Y200 C208 M212 G213 D214Y200-K210 HydrophobicContact CD1-CB 4.41Å; Y200-K210 HydrophobicContact CD1-CD 4.12Å; Y200-K210 HydrophobicContact CD1-CG 4.35Å; Y200-K210 HydrophobicContact CE1-CB 4.39Å; Y200-K210 HydrophobicContact CE1-CD 4.2Å; Y200-K210 HydrophobicContact CE1-CG 4.1Å; C208-K210 PolarHBondContact O-N 2.86Å; K210-M212 VanDerWaalsContact C-N 3.28Å; K210-M212 PolarHBondContact O-N 2.87Å; K210-G213 PolarHBondContact O-N 3Å; K210-D214 IonicContact NZ-OD1 2.62Å; K210-D214 IonicContact NZ-OD2 3.53Å; K210-D214 PolarHBondContact NZ-OD2 2.95Å; K210-D214 VanDerWaalsContact O-CG 3.32Å; K210-D214 PolarHBondContact O-N 3.31Å
211E98.4Very high97.8Very high0 Ų061.2 Ų61.20%033%0.327CS..Hα-helixtrans-59.5-41.7177.6-179.4-175.1-122.300111.5F139 C167 Y200 S207 C208 D214 L215F139-E211 HydrophobicContact CE1-CG 4.22Å; F139-E211 HydrophobicContact CE2-CG 4.14Å; F139-E211 HydrophobicContact CZ-CG 3.93Å; C167-E211 HydrophobicContact CB-CG 3.84Å; C167-E211 WeakPolarHBondContact CB-OE1 3.47Å; Y200-E211 HydrophobicContact CD1-CB 4.23Å; Y200-E211 HydrophobicContact CD2-CB 4.31Å; Y200-E211 HydrophobicContact CD2-CG 4.4Å; Y200-E211 VanDerWaalsContact CE1-CA 3.49Å; Y200-E211 HydrophobicContact CE1-CB 3.78Å; Y200-E211 HydrophobicContact CE1-CG 4.47Å; Y200-E211 HydrophobicContact CE2-CB 3.89Å; Y200-E211 HydrophobicContact CE2-CG 3.76Å; Y200-E211 HydrophobicContact CG-CB 4.48Å; Y200-E211 VanDerWaalsContact CZ-CA 3.5Å; Y200-E211 WeakPolarHBondContact OH-CA 3.47Å; S207-E211 WeakPolarHBondContact CA-OE2 3.27Å; S207-E211 WeakPolarHBondContact CB-OE2 3.4Å; C208-E211 WeakPolarHBondContact O-CB 3.29Å; C208-E211 PolarHBondContact O-N 2.82Å; C208-E211 VanDerWaalsContact O-N 3.09Å; C208-E211 PolarHBondContact SG-N 2.87Å; E211-D214 PolarHBondContact O-N 2.99Å; E211-L215 PolarHBondContact O-N 3.05Å
212M98.3Very high97.8Very high4 Ų459 Ų592%0.0231%0.31CS..Hα-helixtrans-70.4-34.2177.8-62.3-65.5-72.500112.7A37 L38 Y41 F139 C208 E209 K210 L215 R216A37-M212 HydrophobicContact CB-CE 4.35Å; L38-M212 HydrophobicContact CD2-CE 3.68Å; L38-M212 HydrophobicContact CG-CE 4.17Å; Y41-M212 VanDerWaalsContact CD1-C 3.48Å; Y41-M212 HydrophobicContact CD1-CB 3.46Å; Y41-M212 VanDerWaalsContact CD1-CB 3.46Å; Y41-M212 WeakPolarHBondContact CD1-O 3.4Å; Y41-M212 HydrophobicContact CD2-CB 3.68Å; Y41-M212 HydrophobicContact CD2-CE 3.62Å; Y41-M212 HydrophobicContact CD2-CG 4.27Å; Y41-M212 HydrophobicContact CE1-CB 3.56Å; Y41-M212 HydrophobicContact CE2-CB 3.8Å; Y41-M212 HydrophobicContact CE2-CE 4.27Å; Y41-M212 HydrophobicContact CE2-CG 4.26Å; Y41-M212 HydrophobicContact CG-CB 3.52Å; Y41-M212 HydrophobicContact CG-CE 4.13Å; F139-M212 HydrophobicContact CE2-SD 3.82Å; F139-M212 HydrophobicContact CZ-SD 4.44Å; C208-M212 WeakPolarHBondContact O-CG 3.33Å; C208-M212 PolarHBondContact O-N 3.48Å; E209-M212 PolarHBondContact O-N 3.24Å; K210-M212 VanDerWaalsContact C-N 3.28Å; K210-M212 PolarHBondContact O-N 2.87Å; M212-L215 WeakPolarHBondContact O-CB 3.37Å; M212-L215 PolarHBondContact O-N 3.02Å; M212-L215 HydrophobicContact SD-CD2 4.45Å; M212-R216 PolarHBondContact O-N 3.06Å
213G98.3Very high97.7Very high26 Ų2651.5 Ų51.527%0.26828%0.276SS..Hα-helixtrans-66.4-39.4171.100000112.9E209 K210 L215 R216 T217E209-G213 PolarHBondContact O-N 3.42Å; K210-G213 PolarHBondContact O-N 3Å; G213-L215 VanDerWaalsContact C-N 3.34Å; G213-R216 WeakPolarHBondContact O-CB 3.32Å; G213-R216 PolarHBondContact O-N 3.28Å; G213-T217 PolarHBondContact O-N 3.43Å; G213-T217 VanDerWaalsContact O-N 3.16Å; G213-T217 PolarHBondContact O-OG1 3.19Å
214D98.5Very high97Very high44 Ų4455.2 Ų55.224%0.23530%0.301CS..Hα-helixtrans-66.7-38.3174.6-68.1-25.6000110.4F165 Y200 K210 E211 R216 T217 F218F165-D214 HydrophobicContact CE2-CB 4.3Å; F165-D214 VanDerWaalsContact CZ-C 3.49Å; F165-D214 HydrophobicContact CZ-CB 3.73Å; Y200-D214 WeakPolarHBondContact CE1-OD2 3.5Å; Y200-D214 PolarHBondContact OH-OD2 3.41Å; K210-D214 IonicContact NZ-OD1 2.62Å; K210-D214 IonicContact NZ-OD2 3.53Å; K210-D214 PolarHBondContact NZ-OD2 2.95Å; K210-D214 VanDerWaalsContact O-CG 3.32Å; K210-D214 PolarHBondContact O-N 3.31Å; E211-D214 PolarHBondContact O-N 2.99Å; D214-R216 PolarHBondContact O-N 3.26Å; D214-T217 WeakPolarHBondContact O-CB 3.41Å; D214-T217 PolarHBondContact O-N 3.18Å; D214-F218 PolarHBondContact O-N 3.12Å
215L98.5Very high96Very high0 Ų053.7 Ų53.70%029%0.294CS..Hα-helixtrans-57.7-47.3170.8174.463.6000112.1L38 V137 F139 F165 E211 M212 G213 T217 F218 L219L38-L215 HydrophobicContact CD2-CD2 3.54Å; V137-L215 HydrophobicContact CB-CD1 4.48Å; V137-L215 HydrophobicContact CG1-CD1 4Å; V137-L215 HydrophobicContact CG2-CD1 3.63Å; F139-L215 HydrophobicContact CE2-CD2 4.43Å; F139-L215 HydrophobicContact CZ-CB 4.09Å; F139-L215 HydrophobicContact CZ-CD1 4.45Å; F139-L215 HydrophobicContact CZ-CD2 3.93Å; F139-L215 HydrophobicContact CZ-CG 4.37Å; F165-L215 HydrophobicContact CD1-CD1 3.97Å; F165-L215 VanDerWaalsContact CE1-CA 3.49Å; F165-L215 HydrophobicContact CE1-CB 3.78Å; F165-L215 HydrophobicContact CE1-CD1 4.1Å; F165-L215 HydrophobicContact CZ-CB 4.49Å; E211-L215 PolarHBondContact O-N 3.05Å; M212-L215 WeakPolarHBondContact O-CB 3.37Å; M212-L215 PolarHBondContact O-N 3.02Å; M212-L215 HydrophobicContact SD-CD2 4.45Å; G213-L215 VanDerWaalsContact C-N 3.34Å; L215-T217 PolarHBondContact O-N 3.24Å; L215-F218 HydrophobicContact CD1-CD1 4.42Å; L215-F218 WeakPolarHBondContact O-CB 3.09Å; L215-F218 PolarHBondContact O-N 3.31Å; L215-L219 HydrophobicContact CD1-CD1 4.04Å; L215-L219 HydrophobicContact CD1-CD2 4.3Å; L215-L219 HydrophobicContact CD1-CG 3.93Å; L215-L219 HydrophobicContact CG-CD1 4Å; L215-L219 HydrophobicContact CG-CG 4.29Å; L215-L219 VanDerWaalsContact O-CG 3.32Å; L215-L219 WeakPolarHBondContact O-CG 3.45Å; L215-L219 PolarHBondContact O-N 3.43Å
216R98Very high94.8Very high114 Ų11455.2 Ų55.243%0.4331%0.307SS..Hα-helixtrans-54.9-43.9176.2179.4-176.1-71174.7-0.1111.2E40 Y41 M212 G213 D214 L219 S220E40-R216 PolarHBondContact O-NH2 2.84Å; Y41-R216 WeakPolarHBondContact O-CB 3.39Å; Y41-R216 WeakPolarHBondContact O-CG 3.2Å; Y41-R216 PolarHBondContact O-NE 2.93Å; M212-R216 PolarHBondContact O-N 3.06Å; G213-R216 WeakPolarHBondContact O-CB 3.32Å; G213-R216 PolarHBondContact O-N 3.28Å; D214-R216 PolarHBondContact O-N 3.26Å; R216-L219 PolarHBondContact O-N 2.99Å; R216-S220 WeakPolarHBondContact O-CB 3.34Å; R216-S220 PolarHBondContact O-N 3.34Å; R216-S220 PolarHBondContact O-OG 3.01Å
217T97.9Very high92.6Very high90 Ų9064.4 Ų64.455%0.55234%0.344SS*.Hα-helixtrans-63.7-45.8179.4-58.10000110.9G213 D214 L215 S220 K221G213-T217 PolarHBondContact O-N 3.43Å; G213-T217 VanDerWaalsContact O-N 3.16Å; G213-T217 PolarHBondContact O-OG1 3.19Å; D214-T217 WeakPolarHBondContact O-CB 3.41Å; D214-T217 PolarHBondContact O-N 3.18Å; L215-T217 PolarHBondContact O-N 3.24Å; T217-S220 PolarHBondContact O-N 3.27Å; T217-K221 VanDerWaalsContact O-CB 3.22Å; T217-K221 WeakPolarHBondContact O-CB 3.46Å; T217-K221 PolarHBondContact O-N 2.87Å
218F98.4Very high92.4Very high6 Ų665.8 Ų65.83%0.02635%0.348CS..Hα-helixtrans-57.9-49.3175.4170.1-99.4000112.4V137 P163 F165 E196 D214 L215 K221 N222V137-F218 HydrophobicContact CG2-CD1 4.18Å; V137-F218 HydrophobicContact CG2-CE1 3.88Å; P163-F218 HydrophobicContact CB-CE2 3.59Å; P163-F218 HydrophobicContact CB-CZ 3.83Å; F165-F218 HydrophobicContact CB-CB 4.45Å; F165-F218 HydrophobicContact CB-CD1 3.77Å; F165-F218 HydrophobicContact CB-CD2 3.61Å; F165-F218 HydrophobicContact CB-CE1 3.81Å; F165-F218 HydrophobicContact CB-CE2 3.64Å; F165-F218 HydrophobicContact CB-CG 3.67Å; F165-F218 HydrophobicContact CB-CZ 3.74Å; F165-F218 HydrophobicContact CD1-CB 4.37Å; F165-F218 HydrophobicContact CD1-CD1 4.37Å; F165-F218 HydrophobicContact CD1-CG 4.34Å; F165-F218 HydrophobicContact CD2-CB 4Å; F165-F218 HydrophobicContact CD2-CD2 4.11Å; F165-F218 HydrophobicContact CD2-CG 4.07Å; F165-F218 HydrophobicContact CE2-CB 4.21Å; F165-F218 HydrophobicContact CG-CB 4.05Å; F165-F218 HydrophobicContact CG-CD1 4.11Å; F165-F218 HydrophobicContact CG-CD2 4.05Å; F165-F218 AromaticContact CG-CG 3.8Å; F165-F218 HydrophobicContact CG-CG 3.8Å; E196-F218 WeakPolarHBondContact OE1-CD2 3.35Å; D214-F218 PolarHBondContact O-N 3.12Å; L215-F218 HydrophobicContact CD1-CD1 4.42Å; L215-F218 WeakPolarHBondContact O-CB 3.09Å; L215-F218 PolarHBondContact O-N 3.31Å; F218-K221 PolarHBondContact O-N 3.43Å; F218-N222 WeakPolarHBondContact CD2-ND2 3.27Å; F218-N222 VanDerWaalsContact CE2-ND2 3.29Å; F218-N222 WeakPolarHBondContact CE2-ND2 3.35Å; F218-N222 PolarHBondContact O-N 3.06Å; F218-N222 VanDerWaalsContact O-N 3.14Å; F218-N222 PolarHBondContact O-ND2 3.16Å
219L98.3Very high92.1Very high1 Ų167.1 Ų67.11%0.00535%0.351CS..Hα-helixtrans-62.7-47-179.2-66.5176.2000111.5V42 P43 F46 V111 L215 R216 K221 N222 I223V42-L219 HydrophobicContact CB-CD1 4.26Å; V42-L219 HydrophobicContact CG1-CD1 3.89Å; P43-L219 HydrophobicContact CG-CB 4.1Å; F46-L219 HydrophobicContact CE1-CD2 4.02Å; F46-L219 HydrophobicContact CE2-CB 4.31Å; F46-L219 HydrophobicContact CZ-CB 4.06Å; F46-L219 HydrophobicContact CZ-CD2 4.08Å; F46-L219 HydrophobicContact CZ-CG 4.49Å; V111-L219 HydrophobicContact CB-CD2 4.29Å; V111-L219 HydrophobicContact CG1-CD2 4.11Å; V111-L219 HydrophobicContact CG2-CD2 3.78Å; L215-L219 HydrophobicContact CD1-CD1 4.04Å; L215-L219 HydrophobicContact CD1-CD2 4.3Å; L215-L219 HydrophobicContact CD1-CG 3.93Å; L215-L219 HydrophobicContact CG-CD1 4Å; L215-L219 HydrophobicContact CG-CG 4.29Å; L215-L219 VanDerWaalsContact O-CG 3.32Å; L215-L219 WeakPolarHBondContact O-CG 3.45Å; L215-L219 PolarHBondContact O-N 3.43Å; R216-L219 PolarHBondContact O-N 2.99Å; L219-K221 VanDerWaalsContact C-N 3.32Å; L219-K221 PolarHBondContact O-N 3.49Å; L219-N222 PolarHBondContact O-N 2.83Å; L219-I223 PolarHBondContact O-N 3.41Å
220S96.6Very high91.9Very high53 Ų5362.3 Ų62.337%0.37133%0.331SS..Hα-helixtrans-65.2-36.5-178.7-530000112.3R216 T217R216-S220 WeakPolarHBondContact O-CB 3.34Å; R216-S220 PolarHBondContact O-N 3.34Å; R216-S220 PolarHBondContact O-OG 3.01Å; T217-S220 PolarHBondContact O-N 3.27Å
221K96.4Very high91.5Very high154 Ų15458.5 Ų58.567%0.6732%0.318SS*.Hα-helixtrans-68.9-44.4179.7175.9-176172.3-172.40112.5T217 F218 L219T217-K221 VanDerWaalsContact O-CB 3.22Å; T217-K221 WeakPolarHBondContact O-CB 3.46Å; T217-K221 PolarHBondContact O-N 2.87Å; F218-K221 PolarHBondContact O-N 3.43Å; L219-K221 VanDerWaalsContact C-N 3.32Å; L219-K221 PolarHBondContact O-N 3.49Å
222N96.5Very high91Very high48 Ų4862.1 Ų62.126%0.25734%0.338SS..Hα-helixtrans-91.1-23.1-171.4-67.6-74.5000113.1P163 F218 L219P163-N222 HydrophobicContact CG-CB 4.21Å; P163-N222 VanDerWaalsContact CG-OD1 3.22Å; P163-N222 WeakPolarHBondContact CG-OD1 3.43Å; F218-N222 WeakPolarHBondContact CD2-ND2 3.27Å; F218-N222 VanDerWaalsContact CE2-ND2 3.29Å; F218-N222 WeakPolarHBondContact CE2-ND2 3.35Å; F218-N222 PolarHBondContact O-N 3.06Å; F218-N222 VanDerWaalsContact O-N 3.14Å; F218-N222 PolarHBondContact O-ND2 3.16Å; L219-N222 PolarHBondContact O-N 2.83Å
223I95.3Very high90.6Very high2 Ų266 Ų661%0.0136%0.359CS..SBendtrans-131.679.8-176.6-52.7174.8000108.4A19 Y45 F46 N109 V111 L219 G225A19-I223 HydrophobicContact CB-CG2 3.81Å; Y45-I223 VanDerWaalsContact CE2-O 3.29Å; Y45-I223 WeakPolarHBondContact CE2-O 3.43Å; Y45-I223 PolarHBondContact OH-O 3.34Å; F46-I223 HydrophobicContact CE1-CD1 4.23Å; F46-I223 HydrophobicContact CE2-CB 4.46Å; F46-I223 HydrophobicContact CE2-CG2 4.47Å; F46-I223 HydrophobicContact CZ-CB 3.97Å; F46-I223 HydrophobicContact CZ-CD1 3.86Å; F46-I223 HydrophobicContact CZ-CG1 4.48Å; F46-I223 HydrophobicContact CZ-CG2 4.1Å; N109-I223 HydrophobicContact CB-CG2 4.04Å; V111-I223 HydrophobicContact CG2-CD1 3.09Å; V111-I223 HydrophobicContact CG2-CG1 4.47Å; L219-I223 PolarHBondContact O-N 3.41Å; I223-G225 PolarHBondContact O-N 3.19Å
224P83.5Confident90Very high93 Ų9368.9 Ų68.960%0.60437%0.366SS*.PPolyproline II helixtrans-64.1133.9175.827.3-32.9000109.4
225G76.5Confident89.4Confident30 Ų3070.8 Ų70.831%0.30938%0.376SS..PPolyproline II helixtrans-57.6142.3175.400000111Y45 I223 Q227Y45-G225 VanDerWaalsContact CZ-N 3.26Å; Y45-G225 PolarHBondContact OH-N 3.43Å; I223-G225 PolarHBondContact O-N 3.19Å; G225-Q227 PolarHBondContact O-N 3.02Å
226T73.2Confident88.6Confident78 Ų7876.7 Ų76.748%0.47941%0.407SS..PPolyproline II helixtrans-76.1121.7168.155.50000108S18S18-T226 VanDerWaalsContact CB-OG1 3.23Å; S18-T226 WeakPolarHBondContact CB-OG1 3.48Å
227Q52.5Low87.7Confident251 Ų25173.3 Ų73.3100%1.17341%0.405SS*.  trans-59.10170.8-65.7-163.852.900111.5G225G225-Q227 PolarHBondContact O-N 3.02Å

Retrieved 227 of 227 residues in 316.1 ms (Link to these results)

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