A0A087XQM0_POEFO Loading...

Thiamine pyrophosphokinase

Catalyzes the phosphorylation of thiamine to thiamine pyrophosphate (TPP) utilizing UTP and therefore links the biosynthesis of TPP to pyrimidines metabolism. By producing thiamine pyrophosphate, a cofactor of the mitochondrial pyruvate dehydrogenase indirectly regulates pyruvate oxidation and lipogenesis. Although it can also catalyze thiamine phosphorylation using ATP and CTP in vitro, it does so with significantly lower efficiency and without physiological relevance evidence.

AlphaFold DB , UniProt , Accession A0A087XQM0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 252 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
1M43.8Very low87.2Confident236 Ų23666.6 Ų66.6100%1.16333%0.326SS*.  0101.80-154.2-174-56.300103.2E3M1-E3 PolarHBondContact O-N 3.11Å
2D60.5Low87.8Confident100 Ų10064 Ų6454%0.53531%0.314SS..PPolyproline II helixtrans-64.7127.8-171-60.9-35.9000109.1
3E85.6Confident88Confident181 Ų18167.7 Ų67.785%0.84635%0.346SS*.PPolyproline II helixtrans-65.6138-174-169.6171.8-171.900109.8M1 W5M1-E3 PolarHBondContact O-N 3.11Å; E3-W5 PolarHBondContact O-N 2.68Å
4E94Very high88.2Confident83 Ų8370.1 Ų70.139%0.38837%0.372SS..PPolyproline II helixtrans-68.9125.6177.1-177.5176.6143.700110.3R172 P232E4-R172 WeakPolarHBondContact CA-O 3.42Å; E4-R172 HydrophobicContact CB-CG 4.34Å; E4-R172 HydrophobicContact CG-CG 4.36Å; E4-R172 IonicContact OE2-CZ 2.75Å; E4-R172 IonicContact OE2-NE 2.83Å; E4-R172 PolarHBondContact OE2-NE 2.84Å; E4-R172 IonicContact OE2-NH2 3.19Å; E4-R172 PolarHBondContact OE2-NH2 3.23Å; E4-P232 HydrophobicContact CG-CB 4.41Å; E4-P232 HydrophobicContact CG-CG 4.29Å; E4-P232 WeakPolarHBondContact OE1-CG 3.42Å; E4-P232 WeakPolarHBondContact OE2-CG 3.47Å
5W95.9Very high88.5Confident53 Ų5366.3 Ų66.320%0.20136%0.356CS..BIsolated β-bridgetrans-113.7133.8176.1178.479000110.2E3 P7 T122 P153 L155 Y164 R172 L173 G174E3-W5 PolarHBondContact O-N 2.68Å; W5-P7 HydrophobicContact CE3-CG 3.99Å; W5-P7 VanDerWaalsContact CH2-CA 3.48Å; W5-P7 HydrophobicContact CH2-CB 3.75Å; W5-P7 HydrophobicContact CH2-CG 4.08Å; W5-P7 HydrophobicContact CZ3-CB 3.72Å; W5-P7 HydrophobicContact CZ3-CG 3.5Å; W5-T122 HydrophobicContact CZ2-CG2 4.3Å; W5-P153 HydrophobicContact CH2-CB 4.09Å; W5-P153 HydrophobicContact CZ2-CB 3.72Å; W5-P153 HydrophobicContact CZ2-CG 4.01Å; W5-L155 HydrophobicContact CH2-CD1 3.75Å; W5-L155 HydrophobicContact CH2-CD2 3.5Å; W5-L155 VanDerWaalsContact CH2-CD2 3.5Å; W5-L155 HydrophobicContact CH2-CG 4.16Å; W5-L155 HydrophobicContact CZ2-CD1 3.94Å; W5-L155 HydrophobicContact CZ2-CD2 4.23Å; W5-L155 HydrophobicContact CZ3-CD2 4.4Å; W5-Y164 HydrophobicContact CE3-CE1 4.24Å; W5-Y164 HydrophobicContact CH2-CD1 4.33Å; W5-Y164 HydrophobicContact CH2-CE1 4.41Å; W5-Y164 AromaticContact CZ3-CD1 3.75Å; W5-Y164 HydrophobicContact CZ3-CD1 3.75Å; W5-Y164 AromaticContact CZ3-CE1 3.7Å; W5-Y164 HydrophobicContact CZ3-CE1 3.7Å; W5-Y164 HydrophobicContact CZ3-CG 4.48Å; W5-R172 PolarHBondContact N-O 2.73Å; W5-L173 HydrophobicContact CE3-CD2 3.99Å; W5-L173 HydrophobicContact CZ3-CD2 4.36Å; W5-L173 CarbonylContact O-C 3.57Å; W5-L173 VanDerWaalsContact O-CA 3.31Å; W5-L173 WeakPolarHBondContact O-CA 3.45Å; W5-G174 PolarHBondContact O-N 2.86Å
6T97.1Very high88.7Confident35 Ų3573.8 Ų73.822%0.21538%0.384CS..  trans-108.8105.4-172.3-62.50000110.3L8 D9 Q17 T177T6-L8 VanDerWaalsContact C-N 3.3Å; T6-L8 PolarHBondContact O-N 3.28Å; T6-D9 HydrophobicContact CG2-CB 3.99Å; T6-D9 PolarHBondContact O-N 3.21Å; T6-Q17 PolarHBondContact O-NE2 3.21Å; T6-T177 HydrophobicContact CG2-CG2 3.31Å
7P97.3Very high89.1Confident0 Ų070.5 Ų70.50%037%0.366CS..G310 helixtrans-58.1-38.3-172.2-2230.2000114.3W5 C10 L162 G174 M245W5-P7 HydrophobicContact CE3-CG 3.99Å; W5-P7 VanDerWaalsContact CH2-CA 3.48Å; W5-P7 HydrophobicContact CH2-CB 3.75Å; W5-P7 HydrophobicContact CH2-CG 4.08Å; W5-P7 HydrophobicContact CZ3-CB 3.72Å; W5-P7 HydrophobicContact CZ3-CG 3.5Å; P7-C10 PolarHBondContact O-SG 3.31Å; P7-C10 VanDerWaalsContact O-SG 3.35Å; P7-L162 HydrophobicContact CB-CD1 4.17Å; P7-G174 WeakPolarHBondContact CD-O 3.3Å; P7-M245 HydrophobicContact CB-SD 4.01Å; P7-M245 HydrophobicContact CG-SD 4.1Å
8L97Very high89.6Confident0 Ų072.3 Ų72.30%037%0.368CS..G310 helixtrans-90.32-174.1-55.5-168.6000114.6T6 C10 L11 L12 L162 T177 L179 E180 M245 L247T6-L8 VanDerWaalsContact C-N 3.3Å; T6-L8 PolarHBondContact O-N 3.28Å; L8-C10 PolarHBondContact O-N 2.91Å; L8-L11 HydrophobicContact CD2-CD1 4.37Å; L8-L11 PolarHBondContact O-N 3.46Å; L8-L12 PolarHBondContact O-N 2.95Å; L8-L162 HydrophobicContact CD2-CD1 3.45Å; L8-L162 VanDerWaalsContact CD2-CD1 3.45Å; L8-T177 HydrophobicContact CB-CG2 4.1Å; L8-L179 HydrophobicContact CB-CB 4.37Å; L8-L179 HydrophobicContact CB-CD1 4.44Å; L8-L179 HydrophobicContact CD1-CB 3.75Å; L8-E180 HydrophobicContact CD1-CB 4.3Å; L8-E180 HydrophobicContact CD1-CG 3.73Å; L8-M245 HydrophobicContact CD1-CE 3.85Å; L8-M245 HydrophobicContact CD2-CE 4.48Å; L8-M245 HydrophobicContact CD2-SD 4.29Å; L8-M245 HydrophobicContact CG-CE 3.97Å; L8-M245 HydrophobicContact CG-SD 4.3Å; L8-L247 HydrophobicContact CD1-CD2 3.5Å; L8-L247 HydrophobicContact CD2-CD2 3.27Å; L8-L247 HydrophobicContact CG-CD2 4.04Å
9D96.8Very high90Very high31 Ų3168.5 Ų68.517%0.16635%0.348CS..G310 helixtrans-61.2-29.7176.2178.289.2000111.5T6 L11 L12 G15 K16 Q17 K39T6-D9 HydrophobicContact CG2-CB 3.99Å; T6-D9 PolarHBondContact O-N 3.21Å; D9-L11 PolarHBondContact O-N 3.48Å; D9-L12 PolarHBondContact O-N 3.31Å; D9-L12 VanDerWaalsContact O-N 3.1Å; D9-G15 WeakPolarHBondContact O-CA 3.48Å; D9-G15 WeakPolarHBondContact OD1-CA 3.34Å; D9-G15 WeakPolarHBondContact OD2-CA 3.15Å; D9-K16 PolarHBondContact OD1-N 3.23Å; D9-K16 PolarHBondContact OD2-N 2.92Å; D9-Q17 HydrophobicContact CB-CG 4.23Å; D9-Q17 WeakPolarHBondContact OD2-CB 3.34Å; D9-Q17 WeakPolarHBondContact OD2-CG 3.44Å; D9-Q17 PolarHBondContact OD2-N 3.38Å; D9-K39 PolarHBondContact O-NZ 3.41Å
10C95.9Very high90.5Very high0 Ų065.1 Ų65.10%033%0.331CS..G310 helixtrans-56.6-33172.864.90000113.2P7 L8 I19 L36 K39 V124P7-C10 PolarHBondContact O-SG 3.31Å; P7-C10 VanDerWaalsContact O-SG 3.35Å; L8-C10 PolarHBondContact O-N 2.91Å; C10-I19 HydrophobicContact CB-CG2 3.92Å; C10-L36 HydrophobicContact CB-CD2 4.09Å; C10-K39 PolarHBondContact O-NZ 3.39Å; C10-V124 HydrophobicContact CB-CG2 4.01Å
11L95.7Very high90.9Very high14 Ų1462 Ų627%0.07332%0.315CS..G310 helixtrans-88.3-8.2179.6-68.8178.1000114.2L8 D9 H32 T35 L36 I157 L179 L247L8-L11 HydrophobicContact CD2-CD1 4.37Å; L8-L11 PolarHBondContact O-N 3.46Å; D9-L11 PolarHBondContact O-N 3.48Å; L11-H32 HydrophobicContact CD2-CB 4.24Å; L11-T35 WeakPolarHBondContact O-CG2 3.09Å; L11-L36 HydrophobicContact CD2-CD1 3.91Å; L11-L36 HydrophobicContact CD2-CD2 3.89Å; L11-L36 HydrophobicContact CD2-CG 3.86Å; L11-I157 HydrophobicContact CD1-CD1 4.1Å; L11-I157 HydrophobicContact CD2-CD1 4.3Å; L11-I157 HydrophobicContact CG-CD1 4.18Å; L11-L179 HydrophobicContact CB-CD1 3.57Å; L11-L247 HydrophobicContact CD1-CD1 4.28Å; L11-L247 HydrophobicContact CD1-CD2 4.02Å
12L94Very high93.5Very high35 Ų3550.8 Ų50.818%0.18326%0.26CS..  trans-79.9131.3173.4-71.4176000110.5L8 D9 S14 G15 K39 T177 L179L8-L12 PolarHBondContact O-N 2.95Å; D9-L12 PolarHBondContact O-N 3.31Å; D9-L12 VanDerWaalsContact O-N 3.1Å; L12-S14 PolarHBondContact O-N 3.39Å; L12-G15 PolarHBondContact O-N 3.19Å; L12-K39 PolarHBondContact O-NZ 2.94Å; L12-T177 HydrophobicContact CD1-CG2 3.81Å; L12-T177 HydrophobicContact CG-CG2 4.41Å; L12-L179 HydrophobicContact CD2-CD1 3.77Å; L12-L179 HydrophobicContact CD2-CG 4.02Å; L12-L179 HydrophobicContact CG-CD1 4.04Å
13P90.2Very high95.3Very high112 Ų11246 Ų4673%0.72723%0.234SC*.THydrogen-bonded Turntrans-57.9-35.1171.1-2635.1000113G15P13-G15 VanDerWaalsContact C-N 3.33Å
14S91.2Very high96Very high101 Ų10138 Ų3871%0.70620%0.197SC*.THydrogen-bonded Turntrans-86.9-1.3175.359.50000113.9L12L12-S14 PolarHBondContact O-N 3.39Å
15G92Very high96.1Very high13 Ų1337.4 Ų37.413%0.13420%0.197CC..  trans-67.1147.3-177.100000111.7D9 L12 P13 K39D9-G15 WeakPolarHBondContact O-CA 3.48Å; D9-G15 WeakPolarHBondContact OD1-CA 3.34Å; D9-G15 WeakPolarHBondContact OD2-CA 3.15Å; L12-G15 PolarHBondContact O-N 3.19Å; P13-G15 VanDerWaalsContact C-N 3.33Å; G15-K39 PolarHBondContact O-NZ 3.47Å
16K93.1Very high96.2Very high187 Ų18736 Ų3681%0.81319%0.192SC*.  trans-98.2-12.5-169.8-62.9-179-176.9175.10113.8D9 R18D9-K16 PolarHBondContact OD1-N 3.23Å; D9-K16 PolarHBondContact OD2-N 2.92Å; K16-R18 PolarHBondContact O-N 2.69Å
17Q95.6Very high96Very high17 Ų1738.6 Ų38.68%0.07921%0.21CC..  trans-58.1126.9178.9-76.8-175.930.100111.6T6 D9 I19 D121 T122T6-Q17 PolarHBondContact O-NE2 3.21Å; D9-Q17 HydrophobicContact CB-CG 4.23Å; D9-Q17 WeakPolarHBondContact OD2-CB 3.34Å; D9-Q17 WeakPolarHBondContact OD2-CG 3.44Å; D9-Q17 PolarHBondContact OD2-N 3.38Å; Q17-I19 HydrophobicContact CB-CG2 3.96Å; Q17-D121 HydrophobicContact CB-CB 4.49Å; Q17-D121 HydrophobicContact CG-CB 4.43Å; Q17-T122 PolarHBondContact OE1-OG1 3.05Å; Q17-T122 VanDerWaalsContact OE1-OG1 3.09Å
18R96.9Very high95.8Very high104 Ų10439.5 Ų39.539%0.39222%0.215SC..  trans-84.5116.9167.1-61.1166.1-64.5-179.510.6107.8K16 L41 Q119 D121 T122K16-R18 PolarHBondContact O-N 2.69Å; R18-L41 HydrophobicContact CB-CD1 3.89Å; R18-L41 HydrophobicContact CB-CG 4.46Å; R18-Q119 WeakPolarHBondContact CB-O 3.39Å; R18-Q119 VanDerWaalsContact CD-O 3.3Å; R18-Q119 WeakPolarHBondContact CD-O 3.5Å; R18-Q119 VanDerWaalsContact CZ-CB 3.48Å; R18-Q119 PolarHBondContact NE-O 3.09Å; R18-D121 VanDerWaalsContact CB-OD2 3.29Å; R18-D121 WeakPolarHBondContact CB-OD2 3.48Å; R18-D121 IonicContact CZ-OD1 2.74Å; R18-D121 IonicContact CZ-OD2 3.64Å; R18-D121 PolarHBondContact N-OD2 3.11Å; R18-D121 IonicContact NE-OD1 3.52Å; R18-D121 IonicContact NE-OD2 3.54Å; R18-D121 PolarHBondContact NE-OD2 2.79Å; R18-D121 IonicContact NH2-OD1 3.51Å; R18-D121 PolarHBondContact NH2-OD1 3.42Å; R18-D121 IonicContact NH2-OD2 2.91Å; R18-D121 PolarHBondContact O-N 2.96Å; R18-T122 PolarHBondContact O-N 3.21Å
19I98.4Very high95.6Very high0 Ų042.8 Ų42.80%023%0.232CC..EExtended strand (participates in β ladder)trans-115.7158.3-171.969.9174.7000112.7C10 Q17 L36 K39 A40 L41 T122 V124C10-I19 HydrophobicContact CB-CG2 3.92Å; Q17-I19 HydrophobicContact CB-CG2 3.96Å; I19-L36 HydrophobicContact CD1-CB 4.07Å; I19-L36 HydrophobicContact CD1-CD2 3.44Å; I19-L36 VanDerWaalsContact CD1-CD2 3.44Å; I19-L36 HydrophobicContact CD1-CG 4.37Å; I19-K39 HydrophobicContact CD1-CB 4.28Å; I19-K39 HydrophobicContact CG1-CB 4.31Å; I19-A40 HydrophobicContact CG1-CB 4.12Å; I19-A40 CarbonylContact O-C 3.57Å; I19-A40 WeakPolarHBondContact O-CA 3.28Å; I19-L41 PolarHBondContact O-N 3.22Å; I19-T122 WeakPolarHBondContact CA-O 3.32Å; I19-V124 HydrophobicContact CB-CG2 4.21Å; I19-V124 HydrophobicContact CD1-CG2 4.16Å; I19-V124 HydrophobicContact CG2-CG2 4.12Å
20C98.8Very high95.4Very high0 Ų046.1 Ų46.10%025%0.245CC..EExtended strand (participates in β ladder)trans-111.2150.9155.8-64.90000109.2L42 M109 I113 V120 T122 I123 V124C20-L42 WeakPolarHBondContact CA-O 3.46Å; C20-L42 HydrophobicContact CB-CB 4.29Å; C20-M109 HydrophobicContact CB-CE 3.93Å; C20-M109 HydrophobicContact CB-CG 4.21Å; C20-M109 HydrophobicContact CB-SD 3.42Å; C20-M109 WeakPolarHBondContact CB-SD 3.48Å; C20-I113 HydrophobicContact CB-CD1 4.4Å; C20-V120 VanDerWaalsContact SG-CG2 3.56Å; C20-T122 PolarHBondContact N-O 2.82Å; C20-T122 VanDerWaalsContact N-O 3.11Å; C20-I123 HydrophobicContact CB-CG1 4.45Å; C20-V124 PolarHBondContact O-N 3.03Å
21L98.9Very high95.2Very high0 Ų051.4 Ų51.40%027%0.268CS..EExtended strand (participates in β ladder)trans-122.3125.6-171.7178.962.9000111.4I23 L36 W37 A40 L42 R43 A44 M109 V124 L126L21-I23 HydrophobicContact CD2-CD1 4.44Å; L21-I23 HydrophobicContact CD2-CG1 4.49Å; L21-I23 HydrophobicContact CG-CG1 4.3Å; L21-L36 HydrophobicContact CD1-CB 4.2Å; L21-L36 HydrophobicContact CD1-CD1 4.27Å; L21-L36 HydrophobicContact CD2-CB 4.24Å; L21-W37 HydrophobicContact CD2-CE3 3.96Å; L21-A40 HydrophobicContact CB-CB 3.75Å; L21-L42 PolarHBondContact N-O 2.81Å; L21-R43 HydrophobicContact CB-CG 4.49Å; L21-R43 CarbonylContact O-C 3.57Å; L21-R43 WeakPolarHBondContact O-CA 3.37Å; L21-A44 PolarHBondContact O-N 3.49Å; L21-M109 WeakPolarHBondContact O-CE 3.4Å; L21-V124 CarbonylContact C-O 3.57Å; L21-V124 VanDerWaalsContact CA-O 3.29Å; L21-V124 WeakPolarHBondContact CA-O 3.3Å; L21-L126 HydrophobicContact CD1-CD1 4.1Å; L21-L126 HydrophobicContact CD1-CG 3.95Å
22I98.9Very high95.2Very high0 Ų052.1 Ų52.10%027%0.271CS..EExtended strand (participates in β ladder)trans-111.4136.1169.3-60.6174.2000108.6L24 A44 Y102 L106 M109 I123 V124 T125 L126I22-L24 HydrophobicContact CG2-CD2 3.77Å; I22-A44 CarbonylContact C-O 3.43Å; I22-A44 WeakPolarHBondContact CA-O 3.25Å; I22-Y102 HydrophobicContact CD1-CE2 4.11Å; I22-Y102 HydrophobicContact CG2-CD2 4.25Å; I22-Y102 HydrophobicContact CG2-CE2 4.36Å; I22-L106 HydrophobicContact CD1-CB 4.22Å; I22-L106 HydrophobicContact CD1-CD1 4.11Å; I22-M109 HydrophobicContact CD1-CB 4.48Å; I22-M109 HydrophobicContact CD1-CE 4.09Å; I22-M109 HydrophobicContact CD1-SD 3.75Å; I22-M109 HydrophobicContact CG1-CE 3.37Å; I22-M109 HydrophobicContact CG1-SD 3.61Å; I22-I123 HydrophobicContact CD1-CG2 4.12Å; I22-I123 HydrophobicContact CG1-CG2 4.49Å; I22-V124 PolarHBondContact N-O 2.59Å; I22-T125 HydrophobicContact CB-CG2 4.28Å; I22-T125 HydrophobicContact CG2-CG2 4.27Å; I22-T125 CarbonylContact O-C 3.57Å; I22-T125 VanDerWaalsContact O-CA 3.29Å; I22-T125 WeakPolarHBondContact O-CA 3.39Å; I22-L126 PolarHBondContact O-N 3.26Å
23I98.8Very high95.3Very high0 Ų050.5 Ų50.50%026%0.263CS..EExtended strand (participates in β ladder)trans-115.2123174.9-60.5171.7000108.8L21 I28 L33 W37 A44 C45 A46 L53L21-I23 HydrophobicContact CD2-CD1 4.44Å; L21-I23 HydrophobicContact CD2-CG1 4.49Å; L21-I23 HydrophobicContact CG-CG1 4.3Å; I23-I28 HydrophobicContact CG2-CD1 4.13Å; I23-I28 HydrophobicContact CG2-CG2 4.25Å; I23-L33 HydrophobicContact CD1-CD1 3.86Å; I23-W37 HydrophobicContact CD1-CE3 4.42Å; I23-W37 HydrophobicContact CD1-CZ3 4.05Å; I23-A44 PolarHBondContact N-O 3.16Å; I23-C45 WeakPolarHBondContact O-CA 3.23Å; I23-A46 PolarHBondContact O-N 3.18Å; I23-L53 HydrophobicContact CD1-CB 4.31Å; I23-L53 HydrophobicContact CD1-CD1 3.87Å; I23-L53 HydrophobicContact CD1-CD2 4.22Å; I23-L53 HydrophobicContact CD1-CG 4.36Å
24L98.6Very high95.6Very high12 Ų1249.1 Ų49.16%0.06325%0.247CC..  trans-97.1169177.2-55.9-170.7000111.7I22 Q26 A46 G49 Y102 T125 L126I22-L24 HydrophobicContact CG2-CD2 3.77Å; L24-Q26 PolarHBondContact O-N 3.36Å; L24-A46 HydrophobicContact CD2-CB 3.52Å; L24-G49 VanDerWaalsContact C-CA 3.46Å; L24-G49 WeakPolarHBondContact O-CA 3.27Å; L24-Y102 HydrophobicContact CD1-CD1 3.89Å; L24-Y102 HydrophobicContact CD1-CD2 4.17Å; L24-Y102 HydrophobicContact CD1-CE1 4.35Å; L24-Y102 HydrophobicContact CD1-CG 3.8Å; L24-Y102 HydrophobicContact CD2-CD2 3.74Å; L24-Y102 HydrophobicContact CD2-CG 3.87Å; L24-Y102 HydrophobicContact CG-CD2 4.48Å; L24-Y102 HydrophobicContact CG-CG 4.48Å; L24-T125 HydrophobicContact CD1-CG2 3.7Å; L24-T125 HydrophobicContact CD2-CG2 4.23Å; L24-T125 HydrophobicContact CG-CG2 3.62Å; L24-L126 PolarHBondContact N-O 3.35Å
25N97.8Very high95.8Very high71 Ų7145.9 Ų45.938%0.3822%0.222SC..SBendtrans-76.958.8-177.2-169.415.5000113.5G48 Q52N25-G48 PolarHBondContact OD1-O 3.48Å; N25-Q52 PolarHBondContact OD1-NE2 2.89Å; N25-Q52 VanDerWaalsContact OD1-NE2 3.14Å
26Q96.5Very high96.1Very high23 Ų2345.2 Ų45.211%0.10722%0.216CC..SBendtrans-140159.1174.3-65.2-161.2-15.900111.4L24 I28 Q52 G128 A130L24-Q26 PolarHBondContact O-N 3.36Å; Q26-I28 WeakPolarHBondContact O-CG2 3.38Å; Q26-I28 PolarHBondContact O-N 3.19Å; Q26-Q52 VanDerWaalsContact O-CG 3.27Å; Q26-Q52 WeakPolarHBondContact O-CG 3.22Å; Q26-G128 VanDerWaalsContact OE1-N 3.1Å; Q26-A130 PolarHBondContact NE2-O 3.11Å; Q26-A130 VanDerWaalsContact OE1-N 3.16Å; Q26-A130 PolarHBondContact OE1-O 2.98Å
27P94.1Very high96.3Very high91 Ų9137.1 Ų37.159%0.59118%0.18SC*.  trans-52.8128.6174.4-26.335.4000111.2
28I93.1Very high96.3Very high19 Ų1939.3 Ų39.310%0.09721%0.207CC..  trans-109.2147.8-179.954.4-178.9000110.5I23 Q26 L33 Q52 I56 L126I23-I28 HydrophobicContact CG2-CD1 4.13Å; I23-I28 HydrophobicContact CG2-CG2 4.25Å; Q26-I28 WeakPolarHBondContact O-CG2 3.38Å; Q26-I28 PolarHBondContact O-N 3.19Å; I28-L33 HydrophobicContact CD1-CD1 4.42Å; I28-L33 HydrophobicContact CD1-CD2 4.04Å; I28-Q52 HydrophobicContact CD1-CB 4.34Å; I28-Q52 HydrophobicContact CG1-CB 4.48Å; I28-I56 HydrophobicContact CD1-CG2 3.76Å; I28-I56 HydrophobicContact CG1-CB 4.46Å; I28-I56 HydrophobicContact CG1-CD1 3.78Å; I28-I56 HydrophobicContact CG1-CG2 4.03Å; I28-I56 WeakPolarHBondContact O-CD1 3.41Å; I28-L126 HydrophobicContact CG2-CB 3.84Å
29D92.7Very high96.2Very high69 Ų6936.2 Ų36.237%0.36920%0.197SC..  trans-79.4129.5173.7176.9-92.4000110.3K31 H32 L33D29-K31 VanDerWaalsContact C-N 3.34Å; D29-K31 PolarHBondContact O-N 3.11Å; D29-K31 WeakPolarHBondContact OD1-CA 3.27Å; D29-K31 VanDerWaalsContact OD1-CB 3.23Å; D29-K31 WeakPolarHBondContact OD1-CB 3.38Å; D29-K31 PolarHBondContact OD1-N 3.37Å; D29-H32 HydrophobicContact CB-CB 4.14Å; D29-H32 PolarHBondContact O-N 2.63Å; D29-H32 IonicContact OD1-CD2 2.66Å; D29-H32 IonicContact OD1-CG 3.61Å; D29-H32 PolarHBondContact OD1-N 3.34Å; D29-H32 IonicContact OD1-ND1 3.68Å; D29-L33 WeakPolarHBondContact O-CB 3.41Å; D29-L33 PolarHBondContact O-N 2.91Å
30K93Very high96.2Very high100 Ų10036.4 Ų36.444%0.43520%0.198SC..Hα-helixtrans-63.8-39.1-176.3-173161.8-176.6163.20111.7L33 H34 I56K30-L33 PolarHBondContact O-N 3.37Å; K30-H34 WeakPolarHBondContact CE-NE2 3.26Å; K30-H34 PolarHBondContact O-CD2 3.36Å; K30-H34 PolarHBondContact O-N 3.33Å; K30-I56 HydrophobicContact CB-CD1 3.76Å; K30-I56 HydrophobicContact CB-CG1 4.12Å; K30-I56 HydrophobicContact CD-CG1 4.36Å; K30-I56 HydrophobicContact CG-CD1 4.46Å; K30-I56 HydrophobicContact CG-CG1 4.37Å
31K91.8Very high96.2Very high112 Ų11240 Ų4049%0.48722%0.217SC..Hα-helixtrans-67.9-45.1-178.8-172.8-173.9178.7-175.60110.6D29 L33 H34 T35 H250D29-K31 VanDerWaalsContact C-N 3.34Å; D29-K31 PolarHBondContact O-N 3.11Å; D29-K31 WeakPolarHBondContact OD1-CA 3.27Å; D29-K31 VanDerWaalsContact OD1-CB 3.23Å; D29-K31 WeakPolarHBondContact OD1-CB 3.38Å; D29-K31 PolarHBondContact OD1-N 3.37Å; K31-L33 VanDerWaalsContact C-N 3.35Å; K31-H34 PolarHBondContact O-N 3.36Å; K31-T35 PolarHBondContact O-N 3.05Å; K31-T35 VanDerWaalsContact O-N 3.16Å; K31-T35 PolarHBondContact O-OG1 3.23Å; K31-H250 PolarHBondContact NZ-CD2 3.37Å
32H94.4Very high96.2Very high29 Ų2940 Ų4013%0.13422%0.217CC..Hα-helixtrans-59.4-46.4173.6-64.2159.7000111.1L11 D29 H34 T35 L36 L126 E159L11-H32 HydrophobicContact CD2-CB 4.24Å; D29-H32 HydrophobicContact CB-CB 4.14Å; D29-H32 PolarHBondContact O-N 2.63Å; D29-H32 IonicContact OD1-CD2 2.66Å; D29-H32 IonicContact OD1-CG 3.61Å; D29-H32 PolarHBondContact OD1-N 3.34Å; D29-H32 IonicContact OD1-ND1 3.68Å; H32-H34 PolarHBondContact O-N 3.49Å; H32-T35 PolarHBondContact O-N 3.5Å; H32-L36 HydrophobicContact CB-CD1 4.43Å; H32-L36 VanDerWaalsContact O-CB 3.32Å; H32-L36 WeakPolarHBondContact O-CB 3.3Å; H32-L36 VanDerWaalsContact O-CG 3.22Å; H32-L36 WeakPolarHBondContact O-CG 3.4Å; H32-L36 PolarHBondContact O-N 3.08Å; H32-L126 HydrophobicContact CB-CD2 4.31Å; H32-E159 PolarHBondContact CE1-O 3.27Å
33L97.2Very high96.2Very high1 Ų143.2 Ų43.21%0.00523%0.229CC..Hα-helixtrans-55.7-54.5176.5175.965.4000111.6I23 I28 D29 K30 K31 T35 L36 W37 L53 I56 T57 F64 L126I23-L33 HydrophobicContact CD1-CD1 3.86Å; I28-L33 HydrophobicContact CD1-CD1 4.42Å; I28-L33 HydrophobicContact CD1-CD2 4.04Å; D29-L33 WeakPolarHBondContact O-CB 3.41Å; D29-L33 PolarHBondContact O-N 2.91Å; K30-L33 PolarHBondContact O-N 3.37Å; K31-L33 VanDerWaalsContact C-N 3.35Å; L33-T35 VanDerWaalsContact C-N 3.35Å; L33-T35 PolarHBondContact O-N 3.02Å; L33-L36 PolarHBondContact O-N 2.99Å; L33-W37 HydrophobicContact CD1-CE3 3.93Å; L33-W37 WeakPolarHBondContact O-CB 3.41Å; L33-W37 PolarHBondContact O-N 2.91Å; L33-L53 HydrophobicContact CD1-CD1 3.97Å; L33-L53 HydrophobicContact CD2-CD1 3.91Å; L33-I56 HydrophobicContact CD2-CG2 3.45Å; L33-I56 VanDerWaalsContact CD2-CG2 3.45Å; L33-T57 HydrophobicContact CD2-CG2 3.9Å; L33-F64 HydrophobicContact CD2-CD1 4.38Å; L33-F64 HydrophobicContact CD2-CE1 4.37Å; L33-F64 HydrophobicContact CG-CE1 4.26Å; L33-L126 HydrophobicContact CB-CD1 4.38Å; L33-L126 HydrophobicContact CD1-CD1 4.33Å
34H95.6Very high96.2Very high83 Ų8343.2 Ų43.238%0.38423%0.23SC..Hα-helixtrans-58.8-44.9-176.8-86.3-87.5000112.4K30 K31 H32 G38 F64K30-H34 WeakPolarHBondContact CE-NE2 3.26Å; K30-H34 PolarHBondContact O-CD2 3.36Å; K30-H34 PolarHBondContact O-N 3.33Å; K31-H34 PolarHBondContact O-N 3.36Å; H32-H34 PolarHBondContact O-N 3.49Å; H34-G38 PolarHBondContact O-N 3.11Å; H34-F64 AromaticContact CE1-CE2 3.89Å; H34-F64 AromaticContact CE1-CZ 3.38Å; H34-F64 WeakPolarHBondContact CE1-CZ 3.36Å; H34-F64 AromaticContact ND1-CZ 3.51Å
35T95.3Very high96.2Very high32 Ų3242.7 Ų42.720%0.19623%0.227CC..Hα-helixtrans-66.2-48.1-180-58.20000111.8L11 K31 H32 L33 K39L11-T35 WeakPolarHBondContact O-CG2 3.09Å; K31-T35 PolarHBondContact O-N 3.05Å; K31-T35 VanDerWaalsContact O-N 3.16Å; K31-T35 PolarHBondContact O-OG1 3.23Å; H32-T35 PolarHBondContact O-N 3.5Å; L33-T35 VanDerWaalsContact C-N 3.35Å; L33-T35 PolarHBondContact O-N 3.02Å; T35-K39 HydrophobicContact CG2-CD 4.29Å; T35-K39 WeakPolarHBondContact O-CG 3.3Å; T35-K39 PolarHBondContact O-N 3.5Å
36L97.8Very high96.2Very high0 Ų039.6 Ų39.60%021%0.211CC..Hα-helixtrans-69.4-40.1-177.6-65.7169.4000111.4C10 L11 I19 L21 H32 L33 G38 K39 A40 V124 L126C10-L36 HydrophobicContact CB-CD2 4.09Å; L11-L36 HydrophobicContact CD2-CD1 3.91Å; L11-L36 HydrophobicContact CD2-CD2 3.89Å; L11-L36 HydrophobicContact CD2-CG 3.86Å; I19-L36 HydrophobicContact CD1-CB 4.07Å; I19-L36 HydrophobicContact CD1-CD2 3.44Å; I19-L36 VanDerWaalsContact CD1-CD2 3.44Å; I19-L36 HydrophobicContact CD1-CG 4.37Å; L21-L36 HydrophobicContact CD1-CB 4.2Å; L21-L36 HydrophobicContact CD1-CD1 4.27Å; L21-L36 HydrophobicContact CD2-CB 4.24Å; H32-L36 HydrophobicContact CB-CD1 4.43Å; H32-L36 VanDerWaalsContact O-CB 3.32Å; H32-L36 WeakPolarHBondContact O-CB 3.3Å; H32-L36 VanDerWaalsContact O-CG 3.22Å; H32-L36 WeakPolarHBondContact O-CG 3.4Å; H32-L36 PolarHBondContact O-N 3.08Å; L33-L36 PolarHBondContact O-N 2.99Å; L36-G38 PolarHBondContact O-N 3.32Å; L36-K39 PolarHBondContact O-N 2.95Å; L36-K39 VanDerWaalsContact O-N 3.15Å; L36-A40 VanDerWaalsContact O-CB 3.29Å; L36-A40 WeakPolarHBondContact O-CB 3.22Å; L36-A40 PolarHBondContact O-N 2.96Å; L36-V124 HydrophobicContact CD1-CG1 3.84Å; L36-V124 HydrophobicContact CD2-CG1 4.13Å; L36-V124 HydrophobicContact CD2-CG2 4.42Å; L36-L126 HydrophobicContact CD1-CD1 4.15Å; L36-L126 HydrophobicContact CD1-CD2 3.68Å; L36-L126 HydrophobicContact CD1-CG 4.06Å
37W98.2Very high96.2Very high16 Ų1638.6 Ų38.66%0.06121%0.206CC..Hα-helixtrans-58.4-47.1178.3-169.9-91.1000111.9L21 I23 L33 K39 A40 R43 L53 N63 F64 L65 P66L21-W37 HydrophobicContact CD2-CE3 3.96Å; I23-W37 HydrophobicContact CD1-CE3 4.42Å; I23-W37 HydrophobicContact CD1-CZ3 4.05Å; L33-W37 HydrophobicContact CD1-CE3 3.93Å; L33-W37 WeakPolarHBondContact O-CB 3.41Å; L33-W37 PolarHBondContact O-N 2.91Å; W37-K39 PolarHBondContact O-N 3.2Å; W37-A40 PolarHBondContact O-N 2.8Å; W37-R43 HydrophobicContact CD2-CG 4.2Å; W37-R43 HydrophobicContact CE3-CB 4.32Å; W37-R43 HydrophobicContact CE3-CG 4.04Å; W37-R43 HydrophobicContact CH2-CB 3.96Å; W37-R43 HydrophobicContact CH2-CG 4.21Å; W37-R43 HydrophobicContact CZ2-CG 4.34Å; W37-R43 HydrophobicContact CZ3-CB 3.86Å; W37-R43 HydrophobicContact CZ3-CG 4.06Å; W37-R43 PolarHBondContact O-NH2 2.9Å; W37-R43 VanDerWaalsContact O-NH2 3.1Å; W37-L53 HydrophobicContact CE3-CD1 4.34Å; W37-L53 HydrophobicContact CH2-CD1 4.42Å; W37-L53 HydrophobicContact CH2-CD2 3.75Å; W37-L53 HydrophobicContact CZ3-CD1 3.89Å; W37-L53 HydrophobicContact CZ3-CD2 3.73Å; W37-L53 HydrophobicContact CZ3-CG 4.48Å; W37-N63 PolarHBondContact NE1-O 2.98Å; W37-N63 VanDerWaalsContact NE1-O 3.16Å; W37-F64 HydrophobicContact CB-CD1 4.44Å; W37-F64 HydrophobicContact CB-CE1 4.03Å; W37-F64 AromaticContact CD1-CD1 3.83Å; W37-F64 AromaticContact CD1-CE1 3.76Å; W37-F64 AromaticContact CD2-CD1 3.61Å; W37-F64 HydrophobicContact CD2-CD1 3.61Å; W37-F64 HydrophobicContact CD2-CE1 4.08Å; W37-F64 AromaticContact CE2-CD1 3.73Å; W37-F64 HydrophobicContact CE3-CD1 4.09Å; W37-F64 AromaticContact CG-CD1 3.73Å; W37-F64 HydrophobicContact CG-CD1 3.73Å; W37-F64 AromaticContact CG-CE1 3.7Å; W37-F64 HydrophobicContact CG-CE1 3.7Å; W37-F64 HydrophobicContact CH2-CB 4.49Å; W37-F64 VanDerWaalsContact CZ2-CA 3.41Å; W37-F64 HydrophobicContact CZ2-CB 4.19Å; W37-F64 HydrophobicContact CZ2-CD1 4.35Å; W37-F64 AromaticContact NE1-CD1 3.79Å; W37-L65 VanDerWaalsContact CZ2-O 3.27Å; W37-L65 WeakPolarHBondContact CZ2-O 3.41Å; W37-P66 HydrophobicContact CH2-CB 4.25Å
38G95.3Very high96.4Very high63 Ų6334.3 Ų34.365%0.64918%0.179SC*.Hα-helixtrans-62.8-26.7178.300000114H34 L36H34-G38 PolarHBondContact O-N 3.11Å; L36-G38 PolarHBondContact O-N 3.32Å
39K95.1Very high96.7Very high40 Ų4033.4 Ų33.417%0.17417%0.174CC..Hα-helixtrans-95.4-21.5-179.3-66.917668.8178.90113.8D9 C10 L12 G15 I19 T35 L36 W37 L41D9-K39 PolarHBondContact O-NZ 3.41Å; C10-K39 PolarHBondContact O-NZ 3.39Å; L12-K39 PolarHBondContact O-NZ 2.94Å; G15-K39 PolarHBondContact O-NZ 3.47Å; I19-K39 HydrophobicContact CD1-CB 4.28Å; I19-K39 HydrophobicContact CG1-CB 4.31Å; T35-K39 HydrophobicContact CG2-CD 4.29Å; T35-K39 WeakPolarHBondContact O-CG 3.3Å; T35-K39 PolarHBondContact O-N 3.5Å; L36-K39 PolarHBondContact O-N 2.95Å; L36-K39 VanDerWaalsContact O-N 3.15Å; W37-K39 PolarHBondContact O-N 3.2Å; K39-L41 PolarHBondContact O-N 2.85Å
40A98.3Very high96.9Very high4 Ų430.1 Ų30.13%0.03316%0.156CC..EExtended strand (participates in β ladder)trans-70.3127.9-172.500000112I19 L21 L36 W37 L42 R43I19-A40 HydrophobicContact CG1-CB 4.12Å; I19-A40 CarbonylContact O-C 3.57Å; I19-A40 WeakPolarHBondContact O-CA 3.28Å; L21-A40 HydrophobicContact CB-CB 3.75Å; L36-A40 VanDerWaalsContact O-CB 3.29Å; L36-A40 WeakPolarHBondContact O-CB 3.22Å; L36-A40 PolarHBondContact O-N 2.96Å; W37-A40 PolarHBondContact O-N 2.8Å; A40-L42 VanDerWaalsContact C-N 3.32Å; A40-R43 HydrophobicContact CB-CG 3.83Å; A40-R43 PolarHBondContact O-NE 3.43Å; A40-R43 PolarHBondContact O-NH2 2.92Å
41L98.5Very high97.2Very high76 Ų7626.1 Ų26.140%0.39814%0.14SC..EExtended strand (participates in β ladder)trans-74.7-23.7173.4-63.1-178.1000112.9R18 I19 K39 L118 Q119 V120R18-L41 HydrophobicContact CB-CD1 3.89Å; R18-L41 HydrophobicContact CB-CG 4.46Å; I19-L41 PolarHBondContact O-N 3.22Å; K39-L41 PolarHBondContact O-N 2.85Å; L41-L118 HydrophobicContact CB-CD1 4.33Å; L41-Q119 WeakPolarHBondContact CD1-O 3.39Å; L41-V120 HydrophobicContact CD1-CG2 4.31Å
42L98.6Very high97.5Very high0 Ų022.9 Ų22.90%013%0.127CC..EExtended strand (participates in β ladder)trans-149.8134.5178.4-170.673.6000108.2C20 L21 A40 D67 Y68 M109 E112 R116 L118C20-L42 WeakPolarHBondContact CA-O 3.46Å; C20-L42 HydrophobicContact CB-CB 4.29Å; L21-L42 PolarHBondContact N-O 2.81Å; A40-L42 VanDerWaalsContact C-N 3.32Å; L42-D67 WeakPolarHBondContact CA-OD2 3.49Å; L42-D67 HydrophobicContact CD1-CB 3.71Å; L42-D67 VanDerWaalsContact CD1-CG 3.45Å; L42-Y68 HydrophobicContact CD2-CE1 4.2Å; L42-Y68 HydrophobicContact CG-CE1 4.47Å; L42-M109 HydrophobicContact CD2-CE 4.4Å; L42-M109 HydrophobicContact CD2-CG 4.27Å; L42-E112 HydrophobicContact CD2-CB 3.66Å; L42-R116 VanDerWaalsContact CD1-CZ 3.43Å; L42-R116 VanDerWaalsContact CD1-NH1 3.27Å; L42-L118 HydrophobicContact CB-CD1 4.25Å
43R98.8Very high97.7Very high66 Ų6621.5 Ų21.525%0.24912%0.12CC..EExtended strand (participates in β ladder)trans-124.2132.2179.9-49.697.8-174.5-143.20.4110.7L21 W37 A40 D67L21-R43 HydrophobicContact CB-CG 4.49Å; L21-R43 CarbonylContact O-C 3.57Å; L21-R43 WeakPolarHBondContact O-CA 3.37Å; W37-R43 HydrophobicContact CD2-CG 4.2Å; W37-R43 HydrophobicContact CE3-CB 4.32Å; W37-R43 HydrophobicContact CE3-CG 4.04Å; W37-R43 HydrophobicContact CH2-CB 3.96Å; W37-R43 HydrophobicContact CH2-CG 4.21Å; W37-R43 HydrophobicContact CZ2-CG 4.34Å; W37-R43 HydrophobicContact CZ3-CB 3.86Å; W37-R43 HydrophobicContact CZ3-CG 4.06Å; W37-R43 PolarHBondContact O-NH2 2.9Å; W37-R43 VanDerWaalsContact O-NH2 3.1Å; A40-R43 HydrophobicContact CB-CG 3.83Å; A40-R43 PolarHBondContact O-NE 3.43Å; A40-R43 PolarHBondContact O-NH2 2.92Å; R43-D67 PolarHBondContact N-OD2 2.93Å; R43-D67 WeakPolarHBondContact O-CB 3.27Å; R43-D67 PolarHBondContact O-N 2.84Å
44A98.8Very high97.8Very high1 Ų122.6 Ų22.61%0.00813%0.125CC..EExtended strand (participates in β ladder)trans-133.1149.2-179.700000111.5L21 I22 I23 Y68 M109L21-A44 PolarHBondContact O-N 3.49Å; I22-A44 CarbonylContact C-O 3.43Å; I22-A44 WeakPolarHBondContact CA-O 3.25Å; I23-A44 PolarHBondContact N-O 3.16Å; A44-Y68 WeakPolarHBondContact CA-O 3.42Å; A44-Y68 HydrophobicContact CB-CD1 4.22Å; A44-Y68 HydrophobicContact CB-CD2 4.12Å; A44-Y68 HydrophobicContact CB-CE1 3.66Å; A44-Y68 HydrophobicContact CB-CE2 3.56Å; A44-Y68 HydrophobicContact CB-CG 4.42Å; A44-Y68 WeakPolarHBondContact CB-OH 3.34Å; A44-M109 HydrophobicContact CB-CE 3.87Å
45C98.8Very high97.9Very high0 Ų023.2 Ų23.20%013%0.131CC..EExtended strand (participates in β ladder)trans-113.7134.7165.2-64.40000109.9I23 A50 Y68 I69 S70I23-C45 WeakPolarHBondContact O-CA 3.23Å; C45-A50 HydrophobicContact CB-CB 4.01Å; C45-Y68 PolarHBondContact N-O 2.85Å; C45-Y68 VanDerWaalsContact N-O 3.16Å; C45-I69 HydrophobicContact CB-CG1 4.18Å; C45-I69 HydrophobicContact CB-CG2 4.15Å; C45-I69 WeakPolarHBondContact O-CA 3.47Å; C45-S70 PolarHBondContact O-N 3.25Å
46A98.3Very high98Very high6 Ų623.6 Ų23.65%0.0513%0.132CC..EExtended strand (participates in β ladder)trans-89.1108.4168.600000108.7I23 L24 G48 G49 S70 D101 C105I23-A46 PolarHBondContact O-N 3.18Å; L24-A46 HydrophobicContact CD2-CB 3.52Å; A46-G48 PolarHBondContact O-N 3.19Å; A46-G48 VanDerWaalsContact O-N 3.08Å; A46-G49 PolarHBondContact O-N 3.44Å; A46-S70 CarbonylContact C-O 3.53Å; A46-S70 WeakPolarHBondContact CA-O 3.33Å; A46-D101 HydrophobicContact CB-CB 4.27Å; A46-C105 HydrophobicContact CB-CB 4.07Å
47D97.1Very high98.1Very high2 Ų223.8 Ų23.81%0.01113%0.133CC..THydrogen-bonded Turntrans38.4-108.6-178.7-1672.2000113.9G49 A50 S70 F73 D74 S75 I76D47-G49 PolarHBondContact O-N 2.95Å; D47-A50 VanDerWaalsContact O-CB 3.32Å; D47-A50 WeakPolarHBondContact O-CB 3.45Å; D47-A50 PolarHBondContact O-N 3.19Å; D47-S70 PolarHBondContact N-O 2.95Å; D47-F73 WeakPolarHBondContact OD1-CA 3.45Å; D47-F73 WeakPolarHBondContact OD2-CA 3.32Å; D47-F73 PolarHBondContact OD2-N 3.01Å; D47-D74 PolarHBondContact OD2-N 3.41Å; D47-D74 VanDerWaalsContact OD2-N 3.08Å; D47-S75 VanDerWaalsContact OD2-CB 3.29Å; D47-S75 WeakPolarHBondContact OD2-CB 3.21Å; D47-S75 PolarHBondContact OD2-N 3.4Å; D47-I76 WeakPolarHBondContact OD1-CB 3.27Å; D47-I76 WeakPolarHBondContact OD1-CG2 3.01Å; D47-I76 PolarHBondContact OD1-N 3.48Å
48G97.9Very high98Very high1 Ų125.7 Ų25.71%0.0115%0.152CC..THydrogen-bonded Turntrans-62-12-178.400000114.8N25 A46 A50 N51 Q52N25-G48 PolarHBondContact OD1-O 3.48Å; A46-G48 PolarHBondContact O-N 3.19Å; A46-G48 VanDerWaalsContact O-N 3.08Å; G48-A50 PolarHBondContact O-N 2.97Å; G48-N51 VanDerWaalsContact O-CB 3.27Å; G48-N51 WeakPolarHBondContact O-CB 3.32Å; G48-N51 PolarHBondContact O-N 3.44Å; G48-Q52 PolarHBondContact O-N 3Å
49G98.5Very high98Very high0 Ų026.8 Ų26.80%016%0.163CC..Hα-helixtrans-55.7-28.3167.100000112.8L24 A46 D47 N51 Q52 L53L24-G49 VanDerWaalsContact C-CA 3.46Å; L24-G49 WeakPolarHBondContact O-CA 3.27Å; A46-G49 PolarHBondContact O-N 3.44Å; D47-G49 PolarHBondContact O-N 2.95Å; G49-N51 VanDerWaalsContact C-N 3.32Å; G49-N51 PolarHBondContact O-N 3.14Å; G49-Q52 WeakPolarHBondContact O-CB 3.37Å; G49-Q52 PolarHBondContact O-N 2.85Å; G49-L53 PolarHBondContact O-N 3.08Å
50A98.8Very high98.1Very high0 Ų028.1 Ų28.10%017%0.173CC..Hα-helixtrans-63.8-36.2173.200000112.4C45 D47 G48 Q52 H54 I69 I76 V80 Y84C45-A50 HydrophobicContact CB-CB 4.01Å; D47-A50 VanDerWaalsContact O-CB 3.32Å; D47-A50 WeakPolarHBondContact O-CB 3.45Å; D47-A50 PolarHBondContact O-N 3.19Å; G48-A50 PolarHBondContact O-N 2.97Å; A50-Q52 VanDerWaalsContact C-N 3.33Å; A50-H54 VanDerWaalsContact O-CB 3.22Å; A50-H54 WeakPolarHBondContact O-CB 3.36Å; A50-H54 PolarHBondContact O-N 3.12Å; A50-I69 HydrophobicContact CB-CD1 3.77Å; A50-I69 HydrophobicContact CB-CG1 4.34Å; A50-I69 HydrophobicContact CB-CG2 3.98Å; A50-I76 HydrophobicContact CB-CD1 3.54Å; A50-I76 HydrophobicContact CB-CG1 4.08Å; A50-V80 HydrophobicContact CB-CG1 4.15Å; A50-Y84 HydrophobicContact CB-CD2 4.23Å; A50-Y84 HydrophobicContact CB-CE2 3.95Å
51N98.7Very high98.1Very high17 Ų1731.8 Ų31.89%0.09119%0.185CC..Hα-helixtrans-63.2-42.9174.2-59.2-42.4000110.5G48 G49 H54 N55 S75 T77G48-N51 VanDerWaalsContact O-CB 3.27Å; G48-N51 WeakPolarHBondContact O-CB 3.32Å; G48-N51 PolarHBondContact O-N 3.44Å; G49-N51 VanDerWaalsContact C-N 3.32Å; G49-N51 PolarHBondContact O-N 3.14Å; N51-H54 PolarHBondContact O-N 3.21Å; N51-N55 VanDerWaalsContact O-CB 3.3Å; N51-N55 WeakPolarHBondContact O-CB 3.22Å; N51-N55 PolarHBondContact O-N 3.08Å; N51-N55 PolarHBondContact O-ND2 3.21Å; N51-S75 PolarHBondContact ND2-O 3.21Å; N51-T77 PolarHBondContact OD1-N 3.4Å; N51-T77 PolarHBondContact OD1-OG1 2.67Å; N51-T77 VanDerWaalsContact OD1-OG1 3.08Å
52Q98.4Very high98Very high44 Ų4432.6 Ų32.621%0.20619%0.19CC..Hα-helixtrans-62.5-48.1179.8-56.3-62.5-24.200110.9N25 Q26 I28 G48 G49 A50 H54 N55 I56N25-Q52 PolarHBondContact OD1-NE2 2.89Å; N25-Q52 VanDerWaalsContact OD1-NE2 3.14Å; Q26-Q52 VanDerWaalsContact O-CG 3.27Å; Q26-Q52 WeakPolarHBondContact O-CG 3.22Å; I28-Q52 HydrophobicContact CD1-CB 4.34Å; I28-Q52 HydrophobicContact CG1-CB 4.48Å; G48-Q52 PolarHBondContact O-N 3Å; G49-Q52 WeakPolarHBondContact O-CB 3.37Å; G49-Q52 PolarHBondContact O-N 2.85Å; A50-Q52 VanDerWaalsContact C-N 3.33Å; Q52-H54 PolarHBondContact O-N 3.08Å; Q52-N55 PolarHBondContact O-N 2.82Å; Q52-I56 WeakPolarHBondContact O-CG2 3.18Å; Q52-I56 PolarHBondContact O-N 3.16Å
53L98.8Very high98Very high0 Ų037.9 Ų37.90%022%0.219CC..Hα-helixtrans-58.1-48.8175.1-178.861.6000111.3I23 L33 W37 G49 N55 T57 F64 P66 Y84I23-L53 HydrophobicContact CD1-CB 4.31Å; I23-L53 HydrophobicContact CD1-CD1 3.87Å; I23-L53 HydrophobicContact CD1-CD2 4.22Å; I23-L53 HydrophobicContact CD1-CG 4.36Å; L33-L53 HydrophobicContact CD1-CD1 3.97Å; L33-L53 HydrophobicContact CD2-CD1 3.91Å; W37-L53 HydrophobicContact CE3-CD1 4.34Å; W37-L53 HydrophobicContact CH2-CD1 4.42Å; W37-L53 HydrophobicContact CH2-CD2 3.75Å; W37-L53 HydrophobicContact CZ3-CD1 3.89Å; W37-L53 HydrophobicContact CZ3-CD2 3.73Å; W37-L53 HydrophobicContact CZ3-CG 4.48Å; G49-L53 PolarHBondContact O-N 3.08Å; L53-N55 VanDerWaalsContact C-N 3.31Å; L53-N55 PolarHBondContact O-N 3.4Å; L53-T57 HydrophobicContact CD1-CG2 3.97Å; L53-T57 WeakPolarHBondContact O-CB 3.29Å; L53-T57 VanDerWaalsContact O-CG2 3.27Å; L53-T57 WeakPolarHBondContact O-CG2 3.43Å; L53-T57 PolarHBondContact O-N 3.38Å; L53-T57 PolarHBondContact O-OG1 2.95Å; L53-F64 HydrophobicContact CD1-CB 4.09Å; L53-F64 HydrophobicContact CD1-CD1 4.28Å; L53-P66 HydrophobicContact CD2-CB 4.43Å; L53-P66 HydrophobicContact CD2-CG 4.17Å; L53-Y84 WeakPolarHBondContact CG-OH 3.43Å
54H98.6Very high98Very high23 Ų2335.2 Ų35.211%0.10621%0.209CC..Hα-helixtrans-62.4-37.9-178.5176.4-90.5000112.8A50 N51 Q52 R61 V80 F83 Y84A50-H54 VanDerWaalsContact O-CB 3.22Å; A50-H54 WeakPolarHBondContact O-CB 3.36Å; A50-H54 PolarHBondContact O-N 3.12Å; N51-H54 PolarHBondContact O-N 3.21Å; Q52-H54 PolarHBondContact O-N 3.08Å; H54-R61 VanDerWaalsContact CD2-CD 3.48Å; H54-R61 WeakPolarHBondContact CD2-CD 3.05Å; H54-R61 PolarHBondContact CD2-NE 3.1Å; H54-R61 PolarHBondContact CE1-NE 2.93Å; H54-R61 PolarHBondContact CE1-NH2 3.38Å; H54-R61 VanDerWaalsContact CE1-NH2 3.28Å; H54-R61 WeakPolarHBondContact NE2-CD 3.22Å; H54-R61 VanDerWaalsContact NE2-CZ 3.31Å; H54-R61 PolarHBondContact NE2-NE 3.33Å; H54-R61 PolarHBondContact O-NE 3.37Å; H54-V80 HydrophobicContact CB-CG1 3.87Å; H54-V80 HydrophobicContact CB-CG2 4.05Å; H54-F83 AromaticContact CD2-CD1 3.78Å; H54-Y84 WeakPolarHBondContact CA-OH 3.34Å; H54-Y84 HydrophobicContact CB-CE2 4.08Å; H54-Y84 PolarHBondContact N-OH 2.84Å
55N98.1Very high97.9Very high96 Ų9637.8 Ų37.851%0.51322%0.222SC..Hα-helixtrans-74.6-47.7-178-71-16.1000111.8N51 Q52 L53 T57 A58N51-N55 VanDerWaalsContact O-CB 3.3Å; N51-N55 WeakPolarHBondContact O-CB 3.22Å; N51-N55 PolarHBondContact O-N 3.08Å; N51-N55 PolarHBondContact O-ND2 3.21Å; Q52-N55 PolarHBondContact O-N 2.82Å; L53-N55 VanDerWaalsContact C-N 3.31Å; L53-N55 PolarHBondContact O-N 3.4Å; N55-T57 PolarHBondContact O-N 3.44Å; N55-A58 WeakPolarHBondContact O-CB 3.45Å; N55-A58 PolarHBondContact O-N 3.43Å
56I97.8Very high97.9Very high41 Ų4138 Ų3821%0.2122%0.223CC..Hα-helixtrans-70.8-22.6-176.3-159.7168.3000113.3I28 K30 L33 Q52I28-I56 HydrophobicContact CD1-CG2 3.76Å; I28-I56 HydrophobicContact CG1-CB 4.46Å; I28-I56 HydrophobicContact CG1-CD1 3.78Å; I28-I56 HydrophobicContact CG1-CG2 4.03Å; I28-I56 WeakPolarHBondContact O-CD1 3.41Å; K30-I56 HydrophobicContact CB-CD1 3.76Å; K30-I56 HydrophobicContact CB-CG1 4.12Å; K30-I56 HydrophobicContact CD-CG1 4.36Å; K30-I56 HydrophobicContact CG-CD1 4.46Å; K30-I56 HydrophobicContact CG-CG1 4.37Å; L33-I56 HydrophobicContact CD2-CG2 3.45Å; L33-I56 VanDerWaalsContact CD2-CG2 3.45Å; Q52-I56 WeakPolarHBondContact O-CG2 3.18Å; Q52-I56 PolarHBondContact O-N 3.16Å
57T97.9Very high98Very high4 Ų440 Ų403%0.02523%0.234CC..THydrogen-bonded Turntrans-96.814.7177.963.50000112.5L33 L53 N55 G59 D60 R61 F64L33-T57 HydrophobicContact CD2-CG2 3.9Å; L53-T57 HydrophobicContact CD1-CG2 3.97Å; L53-T57 WeakPolarHBondContact O-CB 3.29Å; L53-T57 VanDerWaalsContact O-CG2 3.27Å; L53-T57 WeakPolarHBondContact O-CG2 3.43Å; L53-T57 PolarHBondContact O-N 3.38Å; L53-T57 PolarHBondContact O-OG1 2.95Å; N55-T57 PolarHBondContact O-N 3.44Å; T57-G59 PolarHBondContact O-N 3.37Å; T57-D60 CarbonylContact O-C 3.4Å; T57-D60 WeakPolarHBondContact O-CA 3.32Å; T57-D60 PolarHBondContact O-N 3.44Å; T57-R61 WeakPolarHBondContact O-CG 3.43Å; T57-R61 PolarHBondContact O-N 3.44Å; T57-R61 VanDerWaalsContact O-N 3.11Å; T57-F64 HydrophobicContact CG2-CB 3.64Å; T57-F64 HydrophobicContact CG2-CD1 3.77Å; T57-F64 HydrophobicContact CG2-CD2 3.56Å; T57-F64 HydrophobicContact CG2-CE1 4.34Å; T57-F64 HydrophobicContact CG2-CE2 4.17Å; T57-F64 HydrophobicContact CG2-CG 3.35Å
58A96.6Very high98Very high56 Ų5640 Ų4046%0.46323%0.233SC..THydrogen-bonded Turntrans-51.1128174.200000111.3N55N55-A58 WeakPolarHBondContact O-CB 3.45Å; N55-A58 PolarHBondContact O-N 3.43Å
59G96.1Very high98.1Very high86 Ų8639.9 Ų39.989%0.88723%0.233SC*.THydrogen-bonded Turntrans91.1-9.5-173.200000115.2T57T57-G59 PolarHBondContact O-N 3.37Å
60D97Very high98.1Very high68 Ų6839.9 Ų39.936%0.36423%0.233SC..  trans-145.720.2-177-161.626.2000113.5T57 D62 N63 F64T57-D60 CarbonylContact O-C 3.4Å; T57-D60 WeakPolarHBondContact O-CA 3.32Å; T57-D60 PolarHBondContact O-N 3.44Å; D60-D62 PolarHBondContact O-N 3.24Å; D60-D62 VanDerWaalsContact O-N 3.11Å; D60-N63 PolarHBondContact O-N 3.27Å; D60-N63 PolarHBondContact OD1-ND2 3.15Å; D60-F64 WeakPolarHBondContact O-CD2 3.47Å
61R97.6Very high97.9Very high80 Ų8039.9 Ų39.930%0.30223%0.233SC..G310 helixtrans-57.8-31-170.2-63.9173.1177.3142.6-0.2114.2H54 T57 N63 F64 F83H54-R61 VanDerWaalsContact CD2-CD 3.48Å; H54-R61 WeakPolarHBondContact CD2-CD 3.05Å; H54-R61 PolarHBondContact CD2-NE 3.1Å; H54-R61 PolarHBondContact CE1-NE 2.93Å; H54-R61 PolarHBondContact CE1-NH2 3.38Å; H54-R61 VanDerWaalsContact CE1-NH2 3.28Å; H54-R61 WeakPolarHBondContact NE2-CD 3.22Å; H54-R61 VanDerWaalsContact NE2-CZ 3.31Å; H54-R61 PolarHBondContact NE2-NE 3.33Å; H54-R61 PolarHBondContact O-NE 3.37Å; T57-R61 WeakPolarHBondContact O-CG 3.43Å; T57-R61 PolarHBondContact O-N 3.44Å; T57-R61 VanDerWaalsContact O-N 3.11Å; R61-N63 PolarHBondContact O-N 2.8Å; R61-F64 CarbonylContact O-C 3.49Å; R61-F64 PolarHBondContact O-N 3.05Å; R61-F83 HydrophobicContact CB-CE1 3.97Å; R61-F83 HydrophobicContact CB-CE2 4.35Å; R61-F83 HydrophobicContact CB-CZ 3.51Å; R61-F83 HydrophobicContact CG-CZ 4.48Å
62D97.1Very high97.7Very high94 Ų9441.1 Ų41.150%0.50324%0.239SC..G310 helixtrans-65.2-19.7-179.5-70.4-27.7000113.1D60 K87D60-D62 PolarHBondContact O-N 3.24Å; D60-D62 VanDerWaalsContact O-N 3.11Å; D62-K87 WeakPolarHBondContact OD1-CE 3.29Å; D62-K87 IonicContact OD1-NZ 3.35Å; D62-K87 PolarHBondContact OD1-NZ 2.8Å; D62-K87 IonicContact OD2-NZ 2.82Å
63N97.9Very high97.6Very high111 Ų11140.3 Ų40.359%0.59424%0.235SC*.G310 helixtrans-90.3-3.5174.2-70.9-45.2000113.2W37 D60 R61W37-N63 PolarHBondContact NE1-O 2.98Å; W37-N63 VanDerWaalsContact NE1-O 3.16Å; D60-N63 PolarHBondContact O-N 3.27Å; D60-N63 PolarHBondContact OD1-ND2 3.15Å; R61-N63 PolarHBondContact O-N 2.8Å
64F98.4Very high97.4Very high10 Ų1046.1 Ų46.14%0.04427%0.266CS..  trans-126.156.2-174.8-69.7-88.3000111.9L33 H34 W37 L53 T57 D60 R61L33-F64 HydrophobicContact CD2-CD1 4.38Å; L33-F64 HydrophobicContact CD2-CE1 4.37Å; L33-F64 HydrophobicContact CG-CE1 4.26Å; H34-F64 AromaticContact CE1-CE2 3.89Å; H34-F64 AromaticContact CE1-CZ 3.38Å; H34-F64 WeakPolarHBondContact CE1-CZ 3.36Å; H34-F64 AromaticContact ND1-CZ 3.51Å; W37-F64 HydrophobicContact CB-CD1 4.44Å; W37-F64 HydrophobicContact CB-CE1 4.03Å; W37-F64 AromaticContact CD1-CD1 3.83Å; W37-F64 AromaticContact CD1-CE1 3.76Å; W37-F64 AromaticContact CD2-CD1 3.61Å; W37-F64 HydrophobicContact CD2-CD1 3.61Å; W37-F64 HydrophobicContact CD2-CE1 4.08Å; W37-F64 AromaticContact CE2-CD1 3.73Å; W37-F64 HydrophobicContact CE3-CD1 4.09Å; W37-F64 AromaticContact CG-CD1 3.73Å; W37-F64 HydrophobicContact CG-CD1 3.73Å; W37-F64 AromaticContact CG-CE1 3.7Å; W37-F64 HydrophobicContact CG-CE1 3.7Å; W37-F64 HydrophobicContact CH2-CB 4.49Å; W37-F64 VanDerWaalsContact CZ2-CA 3.41Å; W37-F64 HydrophobicContact CZ2-CB 4.19Å; W37-F64 HydrophobicContact CZ2-CD1 4.35Å; W37-F64 AromaticContact NE1-CD1 3.79Å; L53-F64 HydrophobicContact CD1-CB 4.09Å; L53-F64 HydrophobicContact CD1-CD1 4.28Å; T57-F64 HydrophobicContact CG2-CB 3.64Å; T57-F64 HydrophobicContact CG2-CD1 3.77Å; T57-F64 HydrophobicContact CG2-CD2 3.56Å; T57-F64 HydrophobicContact CG2-CE1 4.34Å; T57-F64 HydrophobicContact CG2-CE2 4.17Å; T57-F64 HydrophobicContact CG2-CG 3.35Å; D60-F64 WeakPolarHBondContact O-CD2 3.47Å; R61-F64 CarbonylContact O-C 3.49Å; R61-F64 PolarHBondContact O-N 3.05Å
65L98.7Very high97.2Very high54 Ų5447.3 Ų47.328%0.28328%0.277SS..  trans-93.8114.7175.9-55.1179.9000110.5W37 F83 Y84 K87W37-L65 VanDerWaalsContact CZ2-O 3.27Å; W37-L65 WeakPolarHBondContact CZ2-O 3.41Å; L65-F83 HydrophobicContact CD2-CE1 4.2Å; L65-F83 HydrophobicContact CD2-CZ 4.48Å; L65-Y84 HydrophobicContact CD2-CD1 4.2Å; L65-Y84 HydrophobicContact CD2-CE1 4.27Å; L65-K87 HydrophobicContact CD1-CB 4.01Å; L65-K87 HydrophobicContact CD2-CB 3.73Å; L65-K87 HydrophobicContact CD2-CD 4.47Å; L65-K87 HydrophobicContact CD2-CG 3.92Å; L65-K87 HydrophobicContact CG-CB 4.49Å
66P98.7Very high97.3Very high5 Ų543.3 Ų43.33%0.03226%0.255CS..  trans-68.2153.3175.829.5-34.1000110.3W37 L53 Y68 I69 Y84 C89W37-P66 HydrophobicContact CH2-CB 4.25Å; L53-P66 HydrophobicContact CD2-CB 4.43Å; L53-P66 HydrophobicContact CD2-CG 4.17Å; P66-Y68 VanDerWaalsContact C-N 3.27Å; P66-Y68 PolarHBondContact O-N 3.04Å; P66-I69 HydrophobicContact CG-CD1 4.08Å; P66-I69 HydrophobicContact CG-CG1 3.75Å; P66-Y84 VanDerWaalsContact CD-CE1 3.5Å; P66-Y84 HydrophobicContact CG-CD1 4.3Å; P66-Y84 HydrophobicContact CG-CE1 4.3Å; P66-C89 PolarHBondContact O-SG 2.89Å
67D98.7Very high97.3Very high49 Ų4943.9 Ų43.926%0.26226%0.261SS..SBendtrans-62.2-41173.3-70-101.3000110.5L42 R43 E90 R116L42-D67 WeakPolarHBondContact CA-OD2 3.49Å; L42-D67 HydrophobicContact CD1-CB 3.71Å; L42-D67 VanDerWaalsContact CD1-CG 3.45Å; R43-D67 PolarHBondContact N-OD2 2.93Å; R43-D67 WeakPolarHBondContact O-CB 3.27Å; R43-D67 PolarHBondContact O-N 2.84Å; D67-E90 PolarHBondContact O-N 2.81Å; D67-R116 IonicContact OD1-CZ 3.82Å; D67-R116 IonicContact OD1-NH1 3.24Å; D67-R116 PolarHBondContact OD1-NH1 3.31Å
68Y98.7Very high97.3Very high0 Ų048.4 Ų48.40%029%0.29CS..EExtended strand (participates in β ladder)trans-150.7160.6174.469.3-89.7000112.8L42 A44 C45 P66 E90 I92 C105 K108 M109L42-Y68 HydrophobicContact CD2-CE1 4.2Å; L42-Y68 HydrophobicContact CG-CE1 4.47Å; A44-Y68 WeakPolarHBondContact CA-O 3.42Å; A44-Y68 HydrophobicContact CB-CD1 4.22Å; A44-Y68 HydrophobicContact CB-CD2 4.12Å; A44-Y68 HydrophobicContact CB-CE1 3.66Å; A44-Y68 HydrophobicContact CB-CE2 3.56Å; A44-Y68 HydrophobicContact CB-CG 4.42Å; A44-Y68 WeakPolarHBondContact CB-OH 3.34Å; C45-Y68 PolarHBondContact N-O 2.85Å; C45-Y68 VanDerWaalsContact N-O 3.16Å; P66-Y68 VanDerWaalsContact C-N 3.27Å; P66-Y68 PolarHBondContact O-N 3.04Å; Y68-E90 CarbonylContact C-O 3.53Å; Y68-E90 WeakPolarHBondContact CA-O 3.29Å; Y68-E90 WeakPolarHBondContact CB-O 3.42Å; Y68-I92 HydrophobicContact CD2-CD1 3.86Å; Y68-I92 HydrophobicContact CG-CD1 3.99Å; Y68-C105 PolarHBondContact OH-O 2.9Å; Y68-C105 VanDerWaalsContact OH-O 3.06Å; Y68-K108 HydrophobicContact CD2-CG 4.41Å; Y68-K108 HydrophobicContact CE1-CG 4.47Å; Y68-K108 HydrophobicContact CE2-CB 4.23Å; Y68-K108 HydrophobicContact CE2-CG 3.87Å; Y68-M109 VanDerWaalsContact OH-CA 3.26Å; Y68-M109 WeakPolarHBondContact OH-CA 3.39Å; Y68-M109 WeakPolarHBondContact OH-CB 3.4Å; Y68-M109 PolarHBondContact OH-N 2.9Å; Y68-M109 VanDerWaalsContact OH-N 3.1Å
69I98.8Very high97.4Very high0 Ų052.2 Ų52.20%030%0.298CS..EExtended strand (participates in β ladder)trans-123.7124.7170-53.2171.8000106.8C45 A50 P66 F73 I76 Y84 E90 L91 I92C45-I69 HydrophobicContact CB-CG1 4.18Å; C45-I69 HydrophobicContact CB-CG2 4.15Å; C45-I69 WeakPolarHBondContact O-CA 3.47Å; A50-I69 HydrophobicContact CB-CD1 3.77Å; A50-I69 HydrophobicContact CB-CG1 4.34Å; A50-I69 HydrophobicContact CB-CG2 3.98Å; P66-I69 HydrophobicContact CG-CD1 4.08Å; P66-I69 HydrophobicContact CG-CG1 3.75Å; I69-F73 HydrophobicContact CG2-CE1 4.2Å; I69-I76 HydrophobicContact CD1-CD1 4.36Å; I69-I76 HydrophobicContact CG2-CD1 4.24Å; I69-Y84 HydrophobicContact CD1-CD1 4.44Å; I69-Y84 HydrophobicContact CD1-CD2 3.42Å; I69-Y84 VanDerWaalsContact CD1-CD2 3.42Å; I69-Y84 HydrophobicContact CD1-CE2 4.16Å; I69-Y84 HydrophobicContact CD1-CG 3.58Å; I69-E90 PolarHBondContact N-O 2.87Å; I69-L91 HydrophobicContact CB-CD2 3.83Å; I69-L91 HydrophobicContact CD1-CD2 3.9Å; I69-L91 HydrophobicContact CG1-CD2 4.2Å; I69-I92 PolarHBondContact O-N 3.43Å
70S98.1Very high97.5Very high0 Ų048.3 Ų48.30%026%0.257CS..EExtended strand (participates in β ladder)trans-125.5142.9-179.362.10000112.4C45 A46 D47 I92 C105C45-S70 PolarHBondContact O-N 3.25Å; A46-S70 CarbonylContact C-O 3.53Å; A46-S70 WeakPolarHBondContact CA-O 3.33Å; D47-S70 PolarHBondContact N-O 2.95Å; S70-I92 WeakPolarHBondContact CA-O 3.38Å; S70-C105 WeakPolarHBondContact OG-CA 3.37Å; S70-C105 WeakPolarHBondContact OG-CB 3.49Å
71G96.2Very high97.6Very high0 Ų048.2 Ų48.20%025%0.254CS..EExtended strand (participates in β ladder)trans163.9-177.6176.900000111.4I92 E93 T94 D101G71-I92 PolarHBondContact N-O 2.81Å; G71-E93 CarbonylContact O-C 3.55Å; G71-E93 WeakPolarHBondContact O-CA 3.16Å; G71-T94 VanDerWaalsContact C-OG1 3.24Å; G71-T94 VanDerWaalsContact CA-OG1 3.28Å; G71-T94 WeakPolarHBondContact CA-OG1 3.44Å; G71-T94 PolarHBondContact O-N 3.16Å; G71-T94 PolarHBondContact O-OG1 2.99Å; G71-D101 WeakPolarHBondContact CA-OD1 3.36Å
72D94.5Very high97.6Very high42 Ų4247.1 Ų47.123%0.22526%0.262CS..  trans-78.7-8.6167.461.916000113.2D74 D101D72-D74 VanDerWaalsContact C-N 3.34Å; D72-D74 PolarHBondContact OD1-N 3.24Å; D72-D74 VanDerWaalsContact OD1-N 3.12Å; D72-D101 PolarHBondContact N-OD1 2.89Å
73F95.4Very high97.7Very high28 Ų2844.7 Ų44.712%0.12325%0.247CC..SBendtrans66.930.5176.4-51.3-48.7000114.1D47 I69 I76 L91 I92 E93D47-F73 WeakPolarHBondContact OD1-CA 3.45Å; D47-F73 WeakPolarHBondContact OD2-CA 3.32Å; D47-F73 PolarHBondContact OD2-N 3.01Å; I69-F73 HydrophobicContact CG2-CE1 4.2Å; F73-I76 HydrophobicContact CB-CG2 3.77Å; F73-I76 HydrophobicContact CD1-CG2 3.82Å; F73-I76 HydrophobicContact CG-CG2 4.17Å; F73-L91 HydrophobicContact CZ-CB 4.17Å; F73-I92 WeakPolarHBondContact CZ-O 3.38Å; F73-E93 HydrophobicContact CD2-CB 4.24Å; F73-E93 HydrophobicContact CD2-CG 4.08Å; F73-E93 HydrophobicContact CE2-CB 3.76Å; F73-E93 HydrophobicContact CE2-CG 4.12Å
74D94.2Very high97.7Very high122 Ų12239.4 Ų39.465%0.65222%0.219SC*.SBendtrans-80.2-19.7172.984.4-3.8000113.1D47 D72D47-D74 PolarHBondContact OD2-N 3.41Å; D47-D74 VanDerWaalsContact OD2-N 3.08Å; D72-D74 VanDerWaalsContact C-N 3.34Å; D72-D74 PolarHBondContact OD1-N 3.24Å; D72-D74 VanDerWaalsContact OD1-N 3.12Å
75S95.7Very high97.7Very high47 Ų4741.2 Ų41.233%0.32924%0.235SC..SBendtrans-108.7-33.3-173.2-67.50000113.2D47 N51D47-S75 VanDerWaalsContact OD2-CB 3.29Å; D47-S75 WeakPolarHBondContact OD2-CB 3.21Å; D47-S75 PolarHBondContact OD2-N 3.4Å; N51-S75 PolarHBondContact ND2-O 3.21Å
76I98.3Very high97.7Very high12 Ų1245 Ų456%0.06226%0.256CS..SBendtrans-65.4132.7174.7-168.1173.7000110.9D47 A50 I69 F73 V80 K81D47-I76 WeakPolarHBondContact OD1-CB 3.27Å; D47-I76 WeakPolarHBondContact OD1-CG2 3.01Å; D47-I76 PolarHBondContact OD1-N 3.48Å; A50-I76 HydrophobicContact CB-CD1 3.54Å; A50-I76 HydrophobicContact CB-CG1 4.08Å; I69-I76 HydrophobicContact CD1-CD1 4.36Å; I69-I76 HydrophobicContact CG2-CD1 4.24Å; F73-I76 HydrophobicContact CB-CG2 3.77Å; F73-I76 HydrophobicContact CD1-CG2 3.82Å; F73-I76 HydrophobicContact CG-CG2 4.17Å; I76-V80 HydrophobicContact CD1-CG1 4.19Å; I76-V80 HydrophobicContact CG1-CB 4.23Å; I76-V80 HydrophobicContact CG1-CG1 4.07Å; I76-K81 HydrophobicContact CD1-CB 3.8Å; I76-K81 HydrophobicContact CD1-CG 4.29Å; I76-K81 HydrophobicContact CG1-CB 4.09Å; I76-K81 HydrophobicContact CG2-CB 4.31Å; I76-K81 HydrophobicContact CG2-CD 4.15Å
77T98.4Very high97.7Very high53 Ų5348.4 Ų48.433%0.32527%0.27SS..  trans-73.6148177.757.60000111.3N51 E79 V80 K81N51-T77 PolarHBondContact OD1-N 3.4Å; N51-T77 PolarHBondContact OD1-OG1 2.67Å; N51-T77 VanDerWaalsContact OD1-OG1 3.08Å; T77-E79 PolarHBondContact O-N 3.19Å; T77-V80 PolarHBondContact O-N 2.85Å; T77-V80 VanDerWaalsContact OG1-CB 3.3Å; T77-V80 WeakPolarHBondContact OG1-CB 3.01Å; T77-V80 WeakPolarHBondContact OG1-CG2 3.35Å; T77-V80 PolarHBondContact OG1-N 3.38Å; T77-K81 WeakPolarHBondContact O-CB 3.36Å; T77-K81 PolarHBondContact O-N 2.66Å
78P98.3Very high97.7Very high99 Ų9949.2 Ų49.264%0.64329%0.29SS*.Hα-helixtrans-55-38.2178.4-26.835.5000113.4A82P78-A82 VanDerWaalsContact O-CB 3.25Å; P78-A82 WeakPolarHBondContact O-CB 3.38Å; P78-A82 PolarHBondContact O-N 2.83Å
79E98.3Very high97.6Very high136 Ų13649.8 Ų49.864%0.63629%0.294SS*.Hα-helixtrans-66.1-44.9179.5-60.478.2-170.900111.7T77 A82 F83T77-E79 PolarHBondContact O-N 3.19Å; E79-A82 PolarHBondContact O-N 2.87Å; E79-F83 WeakPolarHBondContact O-CB 3.28Å; E79-F83 PolarHBondContact O-N 3.29Å
80V98.7Very high97.6Very high5 Ų554.1 Ų54.13%0.0331%0.314CS..Hα-helixtrans-69.3-41.3178.6173.80000110.9A50 H54 I76 T77 A82 F83 Y84A50-V80 HydrophobicContact CB-CG1 4.15Å; H54-V80 HydrophobicContact CB-CG1 3.87Å; H54-V80 HydrophobicContact CB-CG2 4.05Å; I76-V80 HydrophobicContact CD1-CG1 4.19Å; I76-V80 HydrophobicContact CG1-CB 4.23Å; I76-V80 HydrophobicContact CG1-CG1 4.07Å; T77-V80 PolarHBondContact O-N 2.85Å; T77-V80 VanDerWaalsContact OG1-CB 3.3Å; T77-V80 WeakPolarHBondContact OG1-CB 3.01Å; T77-V80 WeakPolarHBondContact OG1-CG2 3.35Å; T77-V80 PolarHBondContact OG1-N 3.38Å; V80-A82 VanDerWaalsContact C-N 3.34Å; V80-A82 PolarHBondContact O-N 3.44Å; V80-F83 PolarHBondContact O-N 2.95Å; V80-Y84 HydrophobicContact CG1-CD2 3.71Å; V80-Y84 HydrophobicContact CG1-CE2 3.5Å; V80-Y84 VanDerWaalsContact O-CD2 3.28Å; V80-Y84 WeakPolarHBondContact O-CD2 3.4Å; V80-Y84 PolarHBondContact O-N 2.88Å; V80-Y84 VanDerWaalsContact O-N 3.11Å
81K98.6Very high97.6Very high65 Ų6556.8 Ų56.828%0.28333%0.328SS..Hα-helixtrans-59.4-46.5175-171.6173.4-179172.30111I76 T77 Y84 A85 L91I76-K81 HydrophobicContact CD1-CB 3.8Å; I76-K81 HydrophobicContact CD1-CG 4.29Å; I76-K81 HydrophobicContact CG1-CB 4.09Å; I76-K81 HydrophobicContact CG2-CB 4.31Å; I76-K81 HydrophobicContact CG2-CD 4.15Å; T77-K81 WeakPolarHBondContact O-CB 3.36Å; T77-K81 PolarHBondContact O-N 2.66Å; K81-Y84 PolarHBondContact O-N 3.29Å; K81-A85 WeakPolarHBondContact O-CB 3.43Å; K81-A85 PolarHBondContact O-N 2.99Å; K81-L91 HydrophobicContact CD-CD1 4.46Å; K81-L91 HydrophobicContact CG-CD1 3.72Å
82A98.4Very high97.7Very high58 Ų5858.2 Ų58.248%0.47934%0.335SS..Hα-helixtrans-63.5-41.6177.100000112.3P78 E79 V80 A85 D86P78-A82 VanDerWaalsContact O-CB 3.25Å; P78-A82 WeakPolarHBondContact O-CB 3.38Å; P78-A82 PolarHBondContact O-N 2.83Å; E79-A82 PolarHBondContact O-N 2.87Å; V80-A82 VanDerWaalsContact C-N 3.34Å; V80-A82 PolarHBondContact O-N 3.44Å; A82-A85 PolarHBondContact O-N 3.36Å; A82-D86 WeakPolarHBondContact O-CB 3.41Å; A82-D86 PolarHBondContact O-N 3.13Å
83F98.7Very high97.7Very high42 Ų4263 Ų6318%0.18436%0.357CS..Hα-helixtrans-57-52.1176.3171.7-94.5000111.9H54 R61 L65 E79 V80 A85 D86 K87H54-F83 AromaticContact CD2-CD1 3.78Å; R61-F83 HydrophobicContact CB-CE1 3.97Å; R61-F83 HydrophobicContact CB-CE2 4.35Å; R61-F83 HydrophobicContact CB-CZ 3.51Å; R61-F83 HydrophobicContact CG-CZ 4.48Å; L65-F83 HydrophobicContact CD2-CE1 4.2Å; L65-F83 HydrophobicContact CD2-CZ 4.48Å; E79-F83 WeakPolarHBondContact O-CB 3.28Å; E79-F83 PolarHBondContact O-N 3.29Å; V80-F83 PolarHBondContact O-N 2.95Å; F83-A85 PolarHBondContact O-N 2.93Å; F83-D86 PolarHBondContact O-N 3.41Å; F83-K87 HydrophobicContact CE1-CG 4.23Å; F83-K87 HydrophobicContact CE2-CG 4.19Å; F83-K87 HydrophobicContact CZ-CD 4.49Å; F83-K87 HydrophobicContact CZ-CG 3.98Å; F83-K87 VanDerWaalsContact O-CG 3.26Å; F83-K87 WeakPolarHBondContact O-CG 3.5Å; F83-K87 PolarHBondContact O-N 2.82Å; F83-K87 VanDerWaalsContact O-N 3.11Å
84Y98.8Very high97.3Very high0 Ų062.9 Ų62.90%036%0.358CS..Hα-helixtrans-70.2-33.3-178.5-72.1-61.7000112.8A50 L53 H54 L65 P66 I69 V80 K81 K87 G88 C89A50-Y84 HydrophobicContact CB-CD2 4.23Å; A50-Y84 HydrophobicContact CB-CE2 3.95Å; L53-Y84 WeakPolarHBondContact CG-OH 3.43Å; H54-Y84 WeakPolarHBondContact CA-OH 3.34Å; H54-Y84 HydrophobicContact CB-CE2 4.08Å; H54-Y84 PolarHBondContact N-OH 2.84Å; L65-Y84 HydrophobicContact CD2-CD1 4.2Å; L65-Y84 HydrophobicContact CD2-CE1 4.27Å; P66-Y84 VanDerWaalsContact CD-CE1 3.5Å; P66-Y84 HydrophobicContact CG-CD1 4.3Å; P66-Y84 HydrophobicContact CG-CE1 4.3Å; I69-Y84 HydrophobicContact CD1-CD1 4.44Å; I69-Y84 HydrophobicContact CD1-CD2 3.42Å; I69-Y84 VanDerWaalsContact CD1-CD2 3.42Å; I69-Y84 HydrophobicContact CD1-CE2 4.16Å; I69-Y84 HydrophobicContact CD1-CG 3.58Å; V80-Y84 HydrophobicContact CG1-CD2 3.71Å; V80-Y84 HydrophobicContact CG1-CE2 3.5Å; V80-Y84 VanDerWaalsContact O-CD2 3.28Å; V80-Y84 WeakPolarHBondContact O-CD2 3.4Å; V80-Y84 PolarHBondContact O-N 2.88Å; V80-Y84 VanDerWaalsContact O-N 3.11Å; K81-Y84 PolarHBondContact O-N 3.29Å; Y84-K87 PolarHBondContact O-N 3.17Å; Y84-G88 PolarHBondContact O-N 3.1Å; Y84-C89 VanDerWaalsContact O-CB 3.32Å; Y84-C89 WeakPolarHBondContact O-CB 3.29Å; Y84-C89 PolarHBondContact O-N 2.91Å
85A98.3Very high96.5Very high48 Ų4860.9 Ų60.940%0.39736%0.359SS..Hα-helixtrans-61.3-45.9172.300000112K81 A82 F83 K87 G88 L91K81-A85 WeakPolarHBondContact O-CB 3.43Å; K81-A85 PolarHBondContact O-N 2.99Å; A82-A85 PolarHBondContact O-N 3.36Å; F83-A85 PolarHBondContact O-N 2.93Å; A85-K87 VanDerWaalsContact C-N 3.26Å; A85-K87 PolarHBondContact O-N 3.48Å; A85-G88 PolarHBondContact O-N 2.99Å; A85-L91 HydrophobicContact CB-CD1 3.95Å
86D98.4Very high95.7Very high133 Ų13362.1 Ų62.171%0.71136%0.361SS*.Hα-helixtrans-61.7-34.7177.1-179.671.1000112.1A82 F83 G88A82-D86 WeakPolarHBondContact O-CB 3.41Å; A82-D86 PolarHBondContact O-N 3.13Å; F83-D86 PolarHBondContact O-N 3.41Å; D86-G88 PolarHBondContact O-N 3.21Å
87K98.3Very high94.7Very high78 Ų7868.3 Ų68.334%0.33939%0.39SS..THydrogen-bonded Turntrans-79.2-1176.2-62.4-71.6166.2167.70114.1D62 L65 F83 Y84 A85D62-K87 WeakPolarHBondContact OD1-CE 3.29Å; D62-K87 IonicContact OD1-NZ 3.35Å; D62-K87 PolarHBondContact OD1-NZ 2.8Å; D62-K87 IonicContact OD2-NZ 2.82Å; L65-K87 HydrophobicContact CD1-CB 4.01Å; L65-K87 HydrophobicContact CD2-CB 3.73Å; L65-K87 HydrophobicContact CD2-CD 4.47Å; L65-K87 HydrophobicContact CD2-CG 3.92Å; L65-K87 HydrophobicContact CG-CB 4.49Å; F83-K87 HydrophobicContact CE1-CG 4.23Å; F83-K87 HydrophobicContact CE2-CG 4.19Å; F83-K87 HydrophobicContact CZ-CD 4.49Å; F83-K87 HydrophobicContact CZ-CG 3.98Å; F83-K87 VanDerWaalsContact O-CG 3.26Å; F83-K87 WeakPolarHBondContact O-CG 3.5Å; F83-K87 PolarHBondContact O-N 2.82Å; F83-K87 VanDerWaalsContact O-N 3.11Å; Y84-K87 PolarHBondContact O-N 3.17Å; A85-K87 VanDerWaalsContact C-N 3.26Å; A85-K87 PolarHBondContact O-N 3.48Å
88G98Very high94.1Very high66 Ų6673.1 Ų73.168%0.6841%0.414SS*.THydrogen-bonded Turntrans82.316176.100000115.1Y84 A85 D86Y84-G88 PolarHBondContact O-N 3.1Å; A85-G88 PolarHBondContact O-N 2.99Å; D86-G88 PolarHBondContact O-N 3.21Å
89C98.4Very high93.7Very high11 Ų1171 Ų717%0.07440%0.397CS..  trans-67.3138170.7-62.20000110.2P66 Y84 L91P66-C89 PolarHBondContact O-SG 2.89Å; Y84-C89 VanDerWaalsContact O-CB 3.32Å; Y84-C89 WeakPolarHBondContact O-CB 3.29Å; Y84-C89 PolarHBondContact O-N 2.91Å; C89-L91 PolarHBondContact O-N 2.87Å
90E98.3Very high93.5Very high91 Ų9166.6 Ų66.643%0.42538%0.379SS..EExtended strand (participates in β ladder)trans-71.4127.3178-171.6-178174.500110.3D67 Y68 I69 I92D67-E90 PolarHBondContact O-N 2.81Å; Y68-E90 CarbonylContact C-O 3.53Å; Y68-E90 WeakPolarHBondContact CA-O 3.29Å; Y68-E90 WeakPolarHBondContact CB-O 3.42Å; I69-E90 PolarHBondContact N-O 2.87Å; E90-I92 HydrophobicContact CG-CD1 4.22Å; E90-I92 HydrophobicContact CG-CG1 3.86Å
91L98.1Very high93.2Very high57 Ų5767.9 Ų67.930%0.29839%0.386SS..EExtended strand (participates in β ladder)trans-105.3117.9175-59.1-174000109.5I69 F73 K81 A85 C89I69-L91 HydrophobicContact CB-CD2 3.83Å; I69-L91 HydrophobicContact CD1-CD2 3.9Å; I69-L91 HydrophobicContact CG1-CD2 4.2Å; F73-L91 HydrophobicContact CZ-CB 4.17Å; K81-L91 HydrophobicContact CD-CD1 4.46Å; K81-L91 HydrophobicContact CG-CD1 3.72Å; A85-L91 HydrophobicContact CB-CD1 3.95Å; C89-L91 PolarHBondContact O-N 2.87Å
92I96.9Very high93.2Very high29 Ų2965.2 Ų65.215%0.14937%0.374CS..EExtended strand (participates in β ladder)trans-116.5104.8-174.5-53.4174.4000109.6Y68 I69 S70 G71 F73 E90 T94 K108Y68-I92 HydrophobicContact CD2-CD1 3.86Å; Y68-I92 HydrophobicContact CG-CD1 3.99Å; I69-I92 PolarHBondContact O-N 3.43Å; S70-I92 WeakPolarHBondContact CA-O 3.38Å; G71-I92 PolarHBondContact N-O 2.81Å; F73-I92 WeakPolarHBondContact CZ-O 3.38Å; E90-I92 HydrophobicContact CG-CD1 4.22Å; E90-I92 HydrophobicContact CG-CG1 3.86Å; I92-T94 HydrophobicContact CG2-CG2 4.3Å; I92-K108 HydrophobicContact CD1-CD 3.91Å; I92-K108 HydrophobicContact CD1-CG 3.86Å
93E94.7Very high93.1Very high143 Ų14362.6 Ų62.667%0.66835%0.352SS*.EExtended strand (participates in β ladder)trans-74.5132.1176.2-163.2171.8164.500110.8G71 F73G71-E93 CarbonylContact O-C 3.55Å; G71-E93 WeakPolarHBondContact O-CA 3.16Å; F73-E93 HydrophobicContact CD2-CB 4.24Å; F73-E93 HydrophobicContact CD2-CG 4.08Å; F73-E93 HydrophobicContact CE2-CB 3.76Å; F73-E93 HydrophobicContact CE2-CG 4.12Å
94T87.3Confident93Very high26 Ų2661.4 Ų61.416%0.1635%0.347CS..  trans-126.194.9-17960.20000110.9G71 I92 D96 K104G71-T94 VanDerWaalsContact C-OG1 3.24Å; G71-T94 VanDerWaalsContact CA-OG1 3.28Å; G71-T94 WeakPolarHBondContact CA-OG1 3.44Å; G71-T94 PolarHBondContact O-N 3.16Å; G71-T94 PolarHBondContact O-OG1 2.99Å; I92-T94 HydrophobicContact CG2-CG2 4.3Å; T94-D96 VanDerWaalsContact C-N 3.29Å; T94-D96 PolarHBondContact O-N 2.79Å; T94-K104 HydrophobicContact CG2-CB 4.38Å; T94-K104 PolarHBondContact O-NZ 2.66Å; T94-K104 VanDerWaalsContact OG1-CE 3.26Å; T94-K104 WeakPolarHBondContact OG1-CE 3.26Å; T94-K104 PolarHBondContact OG1-NZ 3.24Å
95A78.3Confident93Very high80 Ų8061.4 Ų61.466%0.66135%0.347SS*.  trans-76.1-7.2-173.100000115.4Q97A95-Q97 PolarHBondContact O-N 2.8Å
96D78.4Confident93Very high72 Ų7259.1 Ų59.139%0.38533%0.328SS..  trans-63.2124.7178-176.1-0.5000110.8T94 D98 K104T94-D96 VanDerWaalsContact C-N 3.29Å; T94-D96 PolarHBondContact O-N 2.79Å; D96-D98 PolarHBondContact OD1-N 2.88Å; D96-K104 HydrophobicContact CB-CD 3.93Å; D96-K104 WeakPolarHBondContact O-CD 3.34Å; D96-K104 PolarHBondContact O-NZ 2.91Å
97Q77.5Confident93Very high142 Ų14255.2 Ų55.266%0.66431%0.309SS*.SBendtrans-101-9.9-177.4-65-63.8-51.700112.8A95 L99A95-Q97 PolarHBondContact O-N 2.8Å; Q97-L99 VanDerWaalsContact C-N 3.33Å
98D86.1Confident93Very high155 Ų15553.7 Ų53.783%0.82930%0.302SS*.SBendtrans-82.3-17178.9-67.9-25.1000111.6D96D96-D98 PolarHBondContact OD1-N 2.88Å
99L89.8Confident93Very high53 Ų5350.5 Ų50.528%0.27727%0.27SS..SBendtrans-123.5141.8179.7-63.9178.9000112.1Q97 T103 K104Q97-L99 VanDerWaalsContact C-N 3.33Å; L99-T103 HydrophobicContact CB-CG2 4.46Å; L99-T103 HydrophobicContact CD1-CG2 4.08Å; L99-T103 HydrophobicContact CD2-CG2 4.12Å; L99-T103 HydrophobicContact CG-CG2 4.46Å; L99-K104 HydrophobicContact CB-CD 4.37Å; L99-K104 HydrophobicContact CB-CG 3.93Å; L99-K104 WeakPolarHBondContact O-CE 3.45Å
100T92.9Very high93Very high44 Ų4450.3 Ų50.327%0.2727%0.268SS..  trans-65.4157.2173.7630000112.2Y102 T103 K104 A138T100-Y102 PolarHBondContact O-N 2.81Å; T100-T103 PolarHBondContact O-N 2.89Å; T100-T103 VanDerWaalsContact O-N 3.08Å; T100-T103 PolarHBondContact OG1-N 2.84Å; T100-T103 PolarHBondContact OG1-OG1 2.93Å; T100-K104 WeakPolarHBondContact O-CG 3.46Å; T100-K104 PolarHBondContact O-N 2.82Å; T100-A138 HydrophobicContact CG2-CB 3.85Å
101D93.6Very high93Very high33 Ų3350.1 Ų50.118%0.17627%0.267CS..Hα-helixtrans-60-28.6175.4-61.1-46.2000112.8A46 G71 D72 K104 C105A46-D101 HydrophobicContact CB-CB 4.27Å; G71-D101 WeakPolarHBondContact CA-OD1 3.36Å; D72-D101 PolarHBondContact N-OD1 2.89Å; D101-K104 WeakPolarHBondContact OD1-CE 3.46Å; D101-K104 IonicContact OD1-NZ 3.86Å; D101-K104 PolarHBondContact OD1-NZ 2.98Å; D101-C105 WeakPolarHBondContact O-CB 3.02Å; D101-C105 PolarHBondContact O-N 2.96Å
102Y97.9Very high93Very high9 Ų947.7 Ų47.74%0.03525%0.254CS..Hα-helixtrans-62.7-51.1172.8178.9-153.8000111.2I22 L24 T100 K104 C105 L106 T125 T142 I156I22-Y102 HydrophobicContact CD1-CE2 4.11Å; I22-Y102 HydrophobicContact CG2-CD2 4.25Å; I22-Y102 HydrophobicContact CG2-CE2 4.36Å; L24-Y102 HydrophobicContact CD1-CD1 3.89Å; L24-Y102 HydrophobicContact CD1-CD2 4.17Å; L24-Y102 HydrophobicContact CD1-CE1 4.35Å; L24-Y102 HydrophobicContact CD1-CG 3.8Å; L24-Y102 HydrophobicContact CD2-CD2 3.74Å; L24-Y102 HydrophobicContact CD2-CG 3.87Å; L24-Y102 HydrophobicContact CG-CD2 4.48Å; L24-Y102 HydrophobicContact CG-CG 4.48Å; T100-Y102 PolarHBondContact O-N 2.81Å; Y102-K104 PolarHBondContact O-N 2.81Å; Y102-C105 PolarHBondContact O-N 2.77Å; Y102-L106 WeakPolarHBondContact O-CB 3.46Å; Y102-L106 PolarHBondContact O-N 3.33Å; Y102-T125 HydrophobicContact CD2-CG2 4.35Å; Y102-T125 HydrophobicContact CE1-CG2 4.49Å; Y102-T125 HydrophobicContact CE2-CG2 3.71Å; Y102-T125 WeakPolarHBondContact CE2-OG1 3.27Å; Y102-T125 PolarHBondContact OH-OG1 2.87Å; Y102-T142 VanDerWaalsContact CD1-CB 3.46Å; Y102-T142 HydrophobicContact CD1-CG2 3.52Å; Y102-T142 VanDerWaalsContact CD1-OG1 3.31Å; Y102-T142 WeakPolarHBondContact CD1-OG1 3.47Å; Y102-T142 HydrophobicContact CD2-CG2 4.15Å; Y102-T142 VanDerWaalsContact CE1-CB 3.5Å; Y102-T142 HydrophobicContact CE1-CG2 3.46Å; Y102-T142 VanDerWaalsContact CE1-CG2 3.46Å; Y102-T142 HydrophobicContact CE2-CG2 4.09Å; Y102-T142 HydrophobicContact CG-CG2 3.87Å; Y102-I156 HydrophobicContact CE1-CD1 3.86Å; Y102-I156 HydrophobicContact CE1-CG1 4.48Å
103T97.8Very high93.1Very high3 Ų347 Ų472%0.01825%0.251CS..Hα-helixtrans-61.5-45178.4-56.20000111.3L99 T100 C105 L106 V107 T142 H145 M149L99-T103 HydrophobicContact CB-CG2 4.46Å; L99-T103 HydrophobicContact CD1-CG2 4.08Å; L99-T103 HydrophobicContact CD2-CG2 4.12Å; L99-T103 HydrophobicContact CG-CG2 4.46Å; T100-T103 PolarHBondContact O-N 2.89Å; T100-T103 VanDerWaalsContact O-N 3.08Å; T100-T103 PolarHBondContact OG1-N 2.84Å; T100-T103 PolarHBondContact OG1-OG1 2.93Å; T103-C105 PolarHBondContact O-N 3.06Å; T103-L106 PolarHBondContact O-N 3.08Å; T103-V107 WeakPolarHBondContact O-CG2 3.03Å; T103-V107 PolarHBondContact O-N 3.46Å; T103-T142 PolarHBondContact OG1-OG1 3.11Å; T103-H145 HydrophobicContact CG2-CB 4.4Å; T103-M149 HydrophobicContact CG2-CE 4.12Å
104K96.5Very high93.2Very high17 Ų1748 Ų487%0.07425%0.248CC..Hα-helixtrans-61.7-43.6178.2-64.1177.4-56.4-174.20111.6T94 D96 L99 T100 D101 Y102 L106 V107 K108T94-K104 HydrophobicContact CG2-CB 4.38Å; T94-K104 PolarHBondContact O-NZ 2.66Å; T94-K104 VanDerWaalsContact OG1-CE 3.26Å; T94-K104 WeakPolarHBondContact OG1-CE 3.26Å; T94-K104 PolarHBondContact OG1-NZ 3.24Å; D96-K104 HydrophobicContact CB-CD 3.93Å; D96-K104 WeakPolarHBondContact O-CD 3.34Å; D96-K104 PolarHBondContact O-NZ 2.91Å; L99-K104 HydrophobicContact CB-CD 4.37Å; L99-K104 HydrophobicContact CB-CG 3.93Å; L99-K104 WeakPolarHBondContact O-CE 3.45Å; T100-K104 WeakPolarHBondContact O-CG 3.46Å; T100-K104 PolarHBondContact O-N 2.82Å; D101-K104 WeakPolarHBondContact OD1-CE 3.46Å; D101-K104 IonicContact OD1-NZ 3.86Å; D101-K104 PolarHBondContact OD1-NZ 2.98Å; Y102-K104 PolarHBondContact O-N 2.81Å; K104-L106 VanDerWaalsContact C-N 3.34Å; K104-L106 PolarHBondContact O-N 2.88Å; K104-V107 PolarHBondContact O-N 3.33Å; K104-K108 PolarHBondContact O-N 2.83Å; K104-K108 VanDerWaalsContact O-N 3.08Å
105C98.1Very high93.8Very high0 Ų054.3 Ų54.30%027%0.269CS..Hα-helixtrans-62.4-39.5175.7-177.10000112.1A46 Y68 S70 D101 Y102 T103 K108 M109A46-C105 HydrophobicContact CB-CB 4.07Å; Y68-C105 PolarHBondContact OH-O 2.9Å; Y68-C105 VanDerWaalsContact OH-O 3.06Å; S70-C105 WeakPolarHBondContact OG-CA 3.37Å; S70-C105 WeakPolarHBondContact OG-CB 3.49Å; D101-C105 WeakPolarHBondContact O-CB 3.02Å; D101-C105 PolarHBondContact O-N 2.96Å; Y102-C105 PolarHBondContact O-N 2.77Å; T103-C105 PolarHBondContact O-N 3.06Å; C105-K108 PolarHBondContact O-N 3.4Å; C105-M109 WeakPolarHBondContact O-CB 3.16Å; C105-M109 PolarHBondContact O-N 3.1Å
106L98.6Very high94.7Very high0 Ų054.5 Ų54.50%025%0.253CS..Hα-helixtrans-65.2-43175.8177.962.2000111.8I22 Y102 T103 K104 K108 M109 L110 I123 T142 A146 V154I22-L106 HydrophobicContact CD1-CB 4.22Å; I22-L106 HydrophobicContact CD1-CD1 4.11Å; Y102-L106 WeakPolarHBondContact O-CB 3.46Å; Y102-L106 PolarHBondContact O-N 3.33Å; T103-L106 PolarHBondContact O-N 3.08Å; K104-L106 VanDerWaalsContact C-N 3.34Å; K104-L106 PolarHBondContact O-N 2.88Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.47Å; L106-M109 WeakPolarHBondContact O-CB 3.34Å; L106-M109 PolarHBondContact O-N 3.4Å; L106-L110 HydrophobicContact CD1-CG 4.34Å; L106-L110 HydrophobicContact CG-CD1 4.36Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 3.15Å; L106-I123 HydrophobicContact CD1-CD1 3.8Å; L106-I123 HydrophobicContact CD1-CG2 4.18Å; L106-T142 HydrophobicContact CD2-CG2 3.92Å; L106-A146 HydrophobicContact CD2-CB 3.74Å; L106-V154 HydrophobicContact CD1-CG2 4.5Å
107V97.6Very high95.6Very high50 Ų5059.8 Ų59.830%0.30327%0.272SS..Hα-helixtrans-56.8-49174.6174.10000110T103 K104 M109 L110 E111 M149T103-V107 WeakPolarHBondContact O-CG2 3.03Å; T103-V107 PolarHBondContact O-N 3.46Å; K104-V107 PolarHBondContact O-N 3.33Å; V107-M109 VanDerWaalsContact C-N 3.32Å; V107-M109 PolarHBondContact O-N 2.99Å; V107-L110 PolarHBondContact O-N 3.42Å; V107-E111 WeakPolarHBondContact O-CG 3.31Å; V107-E111 PolarHBondContact O-N 3.19Å; V107-M149 HydrophobicContact CG2-CE 3.96Å; V107-M149 HydrophobicContact CG2-SD 3.95Å
108K97.8Very high96.6Very high46 Ų4655.1 Ų55.120%0.225%0.252CS..Hα-helixtrans-60.8-40.7177.6-17567.8-163.5-177.70112.4Y68 I92 K104 C105 L106 L110 E111 E112Y68-K108 HydrophobicContact CD2-CG 4.41Å; Y68-K108 HydrophobicContact CE1-CG 4.47Å; Y68-K108 HydrophobicContact CE2-CB 4.23Å; Y68-K108 HydrophobicContact CE2-CG 3.87Å; I92-K108 HydrophobicContact CD1-CD 3.91Å; I92-K108 HydrophobicContact CD1-CG 3.86Å; K104-K108 PolarHBondContact O-N 2.83Å; K104-K108 VanDerWaalsContact O-N 3.08Å; C105-K108 PolarHBondContact O-N 3.4Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.47Å; K108-L110 VanDerWaalsContact C-N 3.32Å; K108-L110 PolarHBondContact O-N 2.85Å; K108-E111 IonicContact NZ-OE2 3.13Å; K108-E111 WeakPolarHBondContact O-CB 3.49Å; K108-E111 PolarHBondContact O-N 3.31Å; K108-E112 IonicContact NZ-OE1 3.7Å; K108-E112 WeakPolarHBondContact O-CG 3.42Å; K108-E112 PolarHBondContact O-N 2.87Å
109M98.6Very high97.1Very high0 Ų054 Ų540%024%0.241CC..Hα-helixtrans-58.5-45.9176.2177.6158.1-72.100111.2C20 L21 I22 L42 A44 Y68 C105 L106 V107 E111 E112 I113 I123C20-M109 HydrophobicContact CB-CE 3.93Å; C20-M109 HydrophobicContact CB-CG 4.21Å; C20-M109 HydrophobicContact CB-SD 3.42Å; C20-M109 WeakPolarHBondContact CB-SD 3.48Å; L21-M109 WeakPolarHBondContact O-CE 3.4Å; I22-M109 HydrophobicContact CD1-CB 4.48Å; I22-M109 HydrophobicContact CD1-CE 4.09Å; I22-M109 HydrophobicContact CD1-SD 3.75Å; I22-M109 HydrophobicContact CG1-CE 3.37Å; I22-M109 HydrophobicContact CG1-SD 3.61Å; L42-M109 HydrophobicContact CD2-CE 4.4Å; L42-M109 HydrophobicContact CD2-CG 4.27Å; A44-M109 HydrophobicContact CB-CE 3.87Å; Y68-M109 VanDerWaalsContact OH-CA 3.26Å; Y68-M109 WeakPolarHBondContact OH-CA 3.39Å; Y68-M109 WeakPolarHBondContact OH-CB 3.4Å; Y68-M109 PolarHBondContact OH-N 2.9Å; Y68-M109 VanDerWaalsContact OH-N 3.1Å; C105-M109 WeakPolarHBondContact O-CB 3.16Å; C105-M109 PolarHBondContact O-N 3.1Å; L106-M109 WeakPolarHBondContact O-CB 3.34Å; L106-M109 PolarHBondContact O-N 3.4Å; V107-M109 VanDerWaalsContact C-N 3.32Å; V107-M109 PolarHBondContact O-N 2.99Å; M109-E111 VanDerWaalsContact C-N 3.35Å; M109-E111 PolarHBondContact O-N 3.12Å; M109-E112 PolarHBondContact O-N 3.39Å; M109-I113 HydrophobicContact CG-CD1 3.82Å; M109-I113 HydrophobicContact CG-CG1 4.4Å; M109-I113 VanDerWaalsContact O-CG1 3.23Å; M109-I113 WeakPolarHBondContact O-CG1 3.33Å; M109-I113 PolarHBondContact O-N 3.03Å; M109-I123 HydrophobicContact CG-CD1 4.39Å; M109-I123 HydrophobicContact SD-CD1 4.33Å; M109-I123 HydrophobicContact SD-CG1 4.28Å; M109-I123 HydrophobicContact SD-CG2 3.6Å; M109-I123 VanDerWaalsContact SD-CG2 3.6Å
110L98.6Very high97.5Very high6 Ų652 Ų523%0.03123%0.232CC..Hα-helixtrans-65.5-37.6179-65.9174.1000112.2L106 V107 K108 I113 R114 I123 M149 T150L106-L110 HydrophobicContact CD1-CG 4.34Å; L106-L110 HydrophobicContact CG-CD1 4.36Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 3.15Å; V107-L110 PolarHBondContact O-N 3.42Å; K108-L110 VanDerWaalsContact C-N 3.32Å; K108-L110 PolarHBondContact O-N 2.85Å; L110-I113 HydrophobicContact CD2-CD1 4.41Å; L110-R114 VanDerWaalsContact O-CG 3.32Å; L110-R114 WeakPolarHBondContact O-CG 3.26Å; L110-R114 PolarHBondContact O-N 2.89Å; L110-R114 VanDerWaalsContact O-N 3.1Å; L110-I123 HydrophobicContact CD2-CD1 3.6Å; L110-I123 HydrophobicContact CG-CD1 4.46Å; L110-M149 HydrophobicContact CD1-CB 3.71Å; L110-T150 HydrophobicContact CD1-CG2 4Å; L110-T150 HydrophobicContact CD2-CG2 3.85Å
111E98.1Very high97.7Very high87 Ų8752.4 Ų52.441%0.40723%0.232SC..Hα-helixtrans-60.8-47172.3-69.5175.9172.900111.6V107 K108 M109 R114 R115V107-E111 WeakPolarHBondContact O-CG 3.31Å; V107-E111 PolarHBondContact O-N 3.19Å; K108-E111 IonicContact NZ-OE2 3.13Å; K108-E111 WeakPolarHBondContact O-CB 3.49Å; K108-E111 PolarHBondContact O-N 3.31Å; M109-E111 VanDerWaalsContact C-N 3.35Å; M109-E111 PolarHBondContact O-N 3.12Å; E111-R114 PolarHBondContact O-N 3.42Å; E111-R115 VanDerWaalsContact O-CB 3.27Å; E111-R115 WeakPolarHBondContact O-CB 3.45Å; E111-R115 PolarHBondContact O-N 3Å
112E98.3Very high98Very high7 Ų750.8 Ų50.83%0.03322%0.224CC..Hα-helixtrans-65-40.7179.4-74.6-61.5117.100112.3L42 K108 M109 R114 R115 R116L42-E112 HydrophobicContact CD2-CB 3.66Å; K108-E112 IonicContact NZ-OE1 3.7Å; K108-E112 WeakPolarHBondContact O-CG 3.42Å; K108-E112 PolarHBondContact O-N 2.87Å; M109-E112 PolarHBondContact O-N 3.39Å; E112-R114 VanDerWaalsContact C-N 3.33Å; E112-R114 PolarHBondContact O-N 3.33Å; E112-R115 PolarHBondContact O-N 3.33Å; E112-R115 IonicContact OE1-CZ 2.66Å; E112-R115 IonicContact OE1-NE 3.31Å; E112-R115 PolarHBondContact OE1-NE 3.41Å; E112-R115 IonicContact OE1-NH2 3.36Å; E112-R115 IonicContact OE2-CZ 3.89Å; E112-R115 IonicContact OE2-NE 2.88Å; E112-R115 PolarHBondContact OE2-NE 2.97Å; E112-R115 IonicContact OE2-NH2 3.78Å; E112-R115 PolarHBondContact OE2-NH2 2.82Å; E112-R116 VanDerWaalsContact O-CB 3.28Å; E112-R116 WeakPolarHBondContact O-CB 3.48Å; E112-R116 WeakPolarHBondContact O-CG 3.32Å; E112-R116 PolarHBondContact O-N 2.85Å; E112-R116 IonicContact OE2-CZ 3.99Å; E112-R116 VanDerWaalsContact OE2-CZ 3.31Å; E112-R116 IonicContact OE2-NE 3.36Å; E112-R116 PolarHBondContact OE2-NE 3.29Å; E112-R116 IonicContact OE2-NH2 2.85Å; E112-R116 PolarHBondContact OE2-NH2 3.09Å
113I98.5Very high98Very high15 Ų1550.4 Ų50.48%0.07722%0.222CC..Hα-helixtrans-56.4-48.5173.1-71.5167.5000110.3C20 M109 L110 K117 L118 V120 I123 L152C20-I113 HydrophobicContact CB-CD1 4.4Å; M109-I113 HydrophobicContact CG-CD1 3.82Å; M109-I113 HydrophobicContact CG-CG1 4.4Å; M109-I113 VanDerWaalsContact O-CG1 3.23Å; M109-I113 WeakPolarHBondContact O-CG1 3.33Å; M109-I113 PolarHBondContact O-N 3.03Å; L110-I113 HydrophobicContact CD2-CD1 4.41Å; I113-K117 WeakPolarHBondContact O-CA 3.13Å; I113-K117 PolarHBondContact O-N 2.61Å; I113-L118 HydrophobicContact CG1-CD1 4.48Å; I113-L118 HydrophobicContact CG2-CB 4.39Å; I113-L118 PolarHBondContact O-N 3.22Å; I113-V120 HydrophobicContact CD1-CB 4.5Å; I113-V120 HydrophobicContact CD1-CG1 4.48Å; I113-V120 HydrophobicContact CD1-CG2 4.04Å; I113-V120 HydrophobicContact CG1-CG2 3.97Å; I113-V120 HydrophobicContact CG2-CG2 4Å; I113-I123 HydrophobicContact CD1-CD1 4.07Å; I113-I123 HydrophobicContact CD1-CG1 4.35Å; I113-L152 HydrophobicContact CD1-CD1 4.32Å
114R98.3Very high98.1Very high163 Ų16350.2 Ų50.262%0.61522%0.221SC*.Hα-helixtrans-65.7-47.4178.6-68.3177.9-142.1150.82.3111.8L110 E111 E112 R116 K117L110-R114 VanDerWaalsContact O-CG 3.32Å; L110-R114 WeakPolarHBondContact O-CG 3.26Å; L110-R114 PolarHBondContact O-N 2.89Å; L110-R114 VanDerWaalsContact O-N 3.1Å; E111-R114 PolarHBondContact O-N 3.42Å; E112-R114 VanDerWaalsContact C-N 3.33Å; E112-R114 PolarHBondContact O-N 3.33Å; R114-R116 PolarHBondContact O-N 3.43Å; R114-K117 PolarHBondContact O-N 3.24Å; R114-K117 VanDerWaalsContact O-N 3.15Å
115R98.1Very high98.2Very high158 Ų15849.4 Ų49.460%0.59622%0.218SC*.Hα-helixtrans-60.3-46-177.6-174.1-175.371.480.2-4.6111.7E111 E112 K117E111-R115 VanDerWaalsContact O-CB 3.27Å; E111-R115 WeakPolarHBondContact O-CB 3.45Å; E111-R115 PolarHBondContact O-N 3Å; E112-R115 PolarHBondContact O-N 3.33Å; E112-R115 IonicContact OE1-CZ 2.66Å; E112-R115 IonicContact OE1-NE 3.31Å; E112-R115 PolarHBondContact OE1-NE 3.41Å; E112-R115 IonicContact OE1-NH2 3.36Å; E112-R115 IonicContact OE2-CZ 3.89Å; E112-R115 IonicContact OE2-NE 2.88Å; E112-R115 PolarHBondContact OE2-NE 2.97Å; E112-R115 IonicContact OE2-NH2 3.78Å; E112-R115 PolarHBondContact OE2-NH2 2.82Å; R115-K117 VanDerWaalsContact C-N 3.29Å
116R97.8Very high98.2Very high85 Ų8549.6 Ų49.632%0.32122%0.218SC..Hα-helixtrans-83.2-4.8179.4-61-179.1-163.5-1592.9112.8L42 D67 E112 R114 L118L42-R116 VanDerWaalsContact CD1-CZ 3.43Å; L42-R116 VanDerWaalsContact CD1-NH1 3.27Å; D67-R116 IonicContact OD1-CZ 3.82Å; D67-R116 IonicContact OD1-NH1 3.24Å; D67-R116 PolarHBondContact OD1-NH1 3.31Å; E112-R116 VanDerWaalsContact O-CB 3.28Å; E112-R116 WeakPolarHBondContact O-CB 3.48Å; E112-R116 WeakPolarHBondContact O-CG 3.32Å; E112-R116 PolarHBondContact O-N 2.85Å; E112-R116 IonicContact OE2-CZ 3.99Å; E112-R116 VanDerWaalsContact OE2-CZ 3.31Å; E112-R116 IonicContact OE2-NE 3.36Å; E112-R116 PolarHBondContact OE2-NE 3.29Å; E112-R116 IonicContact OE2-NH2 2.85Å; E112-R116 PolarHBondContact OE2-NH2 3.09Å; R114-R116 PolarHBondContact O-N 3.43Å; R116-L118 HydrophobicContact CB-CD1 4.35Å; R116-L118 HydrophobicContact CB-CD2 3.92Å; R116-L118 HydrophobicContact CB-CG 3.76Å; R116-L118 PolarHBondContact O-N 3.21Å
117K97.8Very high98.1Very high182 Ų18249.6 Ų49.679%0.79122%0.219SC*.THydrogen-bonded Turntrans52.841-175.8-55.9-179.8-178.4178.30112.2I113 R114 R115I113-K117 WeakPolarHBondContact O-CA 3.13Å; I113-K117 PolarHBondContact O-N 2.61Å; R114-K117 PolarHBondContact O-N 3.24Å; R114-K117 VanDerWaalsContact O-N 3.15Å; R115-K117 VanDerWaalsContact C-N 3.29Å
118L97.9Very high98.1Very high44 Ų4447.4 Ų47.423%0.2321%0.206CC..  trans-70138.2179.7-58.6179.9000109.8L41 L42 I113 R116 V120L41-L118 HydrophobicContact CB-CD1 4.33Å; L42-L118 HydrophobicContact CB-CD1 4.25Å; I113-L118 HydrophobicContact CG1-CD1 4.48Å; I113-L118 HydrophobicContact CG2-CB 4.39Å; I113-L118 PolarHBondContact O-N 3.22Å; R116-L118 HydrophobicContact CB-CD1 4.35Å; R116-L118 HydrophobicContact CB-CD2 3.92Å; R116-L118 HydrophobicContact CB-CG 3.76Å; R116-L118 PolarHBondContact O-N 3.21Å; L118-V120 HydrophobicContact CB-CG2 3.8Å; L118-V120 PolarHBondContact O-N 2.89Å
119Q97.4Very high98.1Very high131 Ų13147.2 Ų47.261%0.61221%0.207SC*.  trans-91.9101.1170.9-62.5-72.62.700108.1R18 L41R18-Q119 WeakPolarHBondContact CB-O 3.39Å; R18-Q119 VanDerWaalsContact CD-O 3.3Å; R18-Q119 WeakPolarHBondContact CD-O 3.5Å; R18-Q119 VanDerWaalsContact CZ-CB 3.48Å; R18-Q119 PolarHBondContact NE-O 3.09Å; L41-Q119 WeakPolarHBondContact CD1-O 3.39Å
120V98.1Very high97.9Very high13 Ų1348.7 Ų48.78%0.07922%0.219CC..  trans-113.7136-174.8-177.30000108.4C20 L41 I113 L118 T122 L152C20-V120 VanDerWaalsContact SG-CG2 3.56Å; L41-V120 HydrophobicContact CD1-CG2 4.31Å; I113-V120 HydrophobicContact CD1-CB 4.5Å; I113-V120 HydrophobicContact CD1-CG1 4.48Å; I113-V120 HydrophobicContact CD1-CG2 4.04Å; I113-V120 HydrophobicContact CG1-CG2 3.97Å; I113-V120 HydrophobicContact CG2-CG2 4Å; L118-V120 HydrophobicContact CB-CG2 3.8Å; L118-V120 PolarHBondContact O-N 2.89Å; V120-T122 WeakPolarHBondContact CG1-O 3.49Å; V120-L152 HydrophobicContact CB-CD1 4.07Å; V120-L152 HydrophobicContact CG1-CD1 4.06Å; V120-L152 WeakPolarHBondContact O-CD2 3.33Å
121D97.8Very high97.7Very high51 Ų5151.8 Ų51.827%0.27325%0.253SS..SBendtrans-99.8-28.5177.8-54-50.8000111.2Q17 R18 P153Q17-D121 HydrophobicContact CB-CB 4.49Å; Q17-D121 HydrophobicContact CG-CB 4.43Å; R18-D121 VanDerWaalsContact CB-OD2 3.29Å; R18-D121 WeakPolarHBondContact CB-OD2 3.48Å; R18-D121 IonicContact CZ-OD1 2.74Å; R18-D121 IonicContact CZ-OD2 3.64Å; R18-D121 PolarHBondContact N-OD2 3.11Å; R18-D121 IonicContact NE-OD1 3.52Å; R18-D121 IonicContact NE-OD2 3.54Å; R18-D121 PolarHBondContact NE-OD2 2.79Å; R18-D121 IonicContact NH2-OD1 3.51Å; R18-D121 PolarHBondContact NH2-OD1 3.42Å; R18-D121 IonicContact NH2-OD2 2.91Å; R18-D121 PolarHBondContact O-N 2.96Å; D121-P153 WeakPolarHBondContact O-CD 3.45Å
122T98.3Very high97.6Very high0 Ų055 Ų550%026%0.261CS..EExtended strand (participates in β ladder)trans-157142.5-176.5-65.90000111.7W5 Q17 R18 I19 C20 V120 V124 P153 L155W5-T122 HydrophobicContact CZ2-CG2 4.3Å; Q17-T122 PolarHBondContact OE1-OG1 3.05Å; Q17-T122 VanDerWaalsContact OE1-OG1 3.09Å; R18-T122 PolarHBondContact O-N 3.21Å; I19-T122 WeakPolarHBondContact CA-O 3.32Å; C20-T122 PolarHBondContact N-O 2.82Å; C20-T122 VanDerWaalsContact N-O 3.11Å; V120-T122 WeakPolarHBondContact CG1-O 3.49Å; T122-V124 HydrophobicContact CG2-CG2 3.88Å; T122-P153 HydrophobicContact CG2-CB 4.3Å; T122-L155 HydrophobicContact CG2-CD1 3.53Å; T122-L155 HydrophobicContact CG2-CG 3.76Å
123I98.9Very high97.6Very high0 Ų062 Ų620%029%0.291CS..EExtended strand (participates in β ladder)trans-100124.1167.8-60.9173.3000107.7C20 I22 L106 M109 L110 I113 L152 P153 V154 L155C20-I123 HydrophobicContact CB-CG1 4.45Å; I22-I123 HydrophobicContact CD1-CG2 4.12Å; I22-I123 HydrophobicContact CG1-CG2 4.49Å; L106-I123 HydrophobicContact CD1-CD1 3.8Å; L106-I123 HydrophobicContact CD1-CG2 4.18Å; M109-I123 HydrophobicContact CG-CD1 4.39Å; M109-I123 HydrophobicContact SD-CD1 4.33Å; M109-I123 HydrophobicContact SD-CG1 4.28Å; M109-I123 HydrophobicContact SD-CG2 3.6Å; M109-I123 VanDerWaalsContact SD-CG2 3.6Å; L110-I123 HydrophobicContact CD2-CD1 3.6Å; L110-I123 HydrophobicContact CG-CD1 4.46Å; I113-I123 HydrophobicContact CD1-CD1 4.07Å; I113-I123 HydrophobicContact CD1-CG1 4.35Å; I123-L152 HydrophobicContact CD1-CD1 4.18Å; I123-L152 HydrophobicContact CG1-CD1 4.3Å; I123-P153 PolarHBondContact N-O 3.25Å; I123-V154 HydrophobicContact CB-CG1 4.47Å; I123-V154 HydrophobicContact CB-CG2 4.26Å; I123-V154 HydrophobicContact CD1-CG2 4.41Å; I123-V154 HydrophobicContact CG2-CG1 4.37Å; I123-V154 WeakPolarHBondContact O-CA 3.38Å; I123-L155 PolarHBondContact O-N 2.89Å
124V98.8Very high97.5Very high0 Ų065 Ų650%031%0.308CS..EExtended strand (participates in β ladder)trans-111.7128.4-179.3-174.60000109.1C10 I19 C20 L21 I22 L36 T122 I157C10-V124 HydrophobicContact CB-CG2 4.01Å; I19-V124 HydrophobicContact CB-CG2 4.21Å; I19-V124 HydrophobicContact CD1-CG2 4.16Å; I19-V124 HydrophobicContact CG2-CG2 4.12Å; C20-V124 PolarHBondContact O-N 3.03Å; L21-V124 CarbonylContact C-O 3.57Å; L21-V124 VanDerWaalsContact CA-O 3.29Å; L21-V124 WeakPolarHBondContact CA-O 3.3Å; I22-V124 PolarHBondContact N-O 2.59Å; L36-V124 HydrophobicContact CD1-CG1 3.84Å; L36-V124 HydrophobicContact CD2-CG1 4.13Å; L36-V124 HydrophobicContact CD2-CG2 4.42Å; T122-V124 HydrophobicContact CG2-CG2 3.88Å; V124-I157 HydrophobicContact CG1-CD1 3.75Å; V124-I157 HydrophobicContact CG1-CG1 4.34Å
125T98.9Very high97.4Very high0 Ų060.6 Ų60.60%029%0.294CS..EExtended strand (participates in β ladder)trans-110.3131.5176.6-57.70000109.3I22 L24 Y102 L155 I156 I157I22-T125 HydrophobicContact CB-CG2 4.28Å; I22-T125 HydrophobicContact CG2-CG2 4.27Å; I22-T125 CarbonylContact O-C 3.57Å; I22-T125 VanDerWaalsContact O-CA 3.29Å; I22-T125 WeakPolarHBondContact O-CA 3.39Å; L24-T125 HydrophobicContact CD1-CG2 3.7Å; L24-T125 HydrophobicContact CD2-CG2 4.23Å; L24-T125 HydrophobicContact CG-CG2 3.62Å; Y102-T125 HydrophobicContact CD2-CG2 4.35Å; Y102-T125 HydrophobicContact CE1-CG2 4.49Å; Y102-T125 HydrophobicContact CE2-CG2 3.71Å; Y102-T125 WeakPolarHBondContact CE2-OG1 3.27Å; Y102-T125 PolarHBondContact OH-OG1 2.87Å; T125-L155 WeakPolarHBondContact CB-O 3.44Å; T125-L155 PolarHBondContact N-O 2.81Å; T125-I156 HydrophobicContact CG2-CG2 4.48Å; T125-I156 WeakPolarHBondContact O-CA 3.29Å; T125-I157 PolarHBondContact O-N 3.27Å
126L98.6Very high97.4Very high3 Ų354 Ų542%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-99.8125.4170.9-69.5-178.7000110.7L21 I22 L24 I28 H32 L33 L36 I157L21-L126 HydrophobicContact CD1-CD1 4.1Å; L21-L126 HydrophobicContact CD1-CG 3.95Å; I22-L126 PolarHBondContact O-N 3.26Å; L24-L126 PolarHBondContact N-O 3.35Å; I28-L126 HydrophobicContact CG2-CB 3.84Å; H32-L126 HydrophobicContact CB-CD2 4.31Å; L33-L126 HydrophobicContact CB-CD1 4.38Å; L33-L126 HydrophobicContact CD1-CD1 4.33Å; L36-L126 HydrophobicContact CD1-CD1 4.15Å; L36-L126 HydrophobicContact CD1-CD2 3.68Å; L36-L126 HydrophobicContact CD1-CG 4.06Å; L126-I157 WeakPolarHBondContact CA-O 3.16Å; L126-I157 HydrophobicContact CD2-CB 4.09Å; L126-I157 HydrophobicContact CD2-CG2 4.22Å
127G97.3Very high97.4Very high1 Ų153.4 Ų53.41%0.0127%0.273CS..  trans86.3170.2-175.500000113.4I156 I157 Q158G127-I156 WeakPolarHBondContact O-CG2 3.43Å; G127-I157 PolarHBondContact N-O 3.42Å; G127-Q158 VanDerWaalsContact C-OE1 3.31Å
128G96.8Very high97.4Very high3 Ų345.9 Ų45.93%0.03125%0.245CC..  trans107.83177.900000115.6Q26 T136 S139Q26-G128 VanDerWaalsContact OE1-N 3.1Å; G128-T136 WeakPolarHBondContact O-CA 3.19Å; G128-S139 WeakPolarHBondContact CA-OG 3.15Å; G128-S139 WeakPolarHBondContact O-CB 3.28Å; G128-S139 PolarHBondContact O-OG 3.42Å; G128-S139 VanDerWaalsContact O-OG 3.08Å
129L96.9Very high97.4Very high42 Ų4244 Ų4422%0.2224%0.235CC..SBendtrans-114.31.1177.6-55.3178.4000114.4I156 Q158 A163L129-I156 HydrophobicContact CD1-CB 4.28Å; L129-I156 HydrophobicContact CD1-CG2 4.05Å; L129-I156 HydrophobicContact CD2-CB 4.25Å; L129-I156 HydrophobicContact CD2-CD1 4.4Å; L129-I156 HydrophobicContact CD2-CG2 4.02Å; L129-I156 HydrophobicContact CG-CB 4.24Å; L129-I156 HydrophobicContact CG-CG2 3.66Å; L129-Q158 HydrophobicContact CB-CB 4.06Å; L129-Q158 HydrophobicContact CD1-CB 4.36Å; L129-Q158 HydrophobicContact CG-CB 4.39Å; L129-A163 HydrophobicContact CD1-CB 3.99Å; L129-A163 HydrophobicContact CD2-CB 4.05Å
130A94.6Very high97.5Very high31 Ų3138.1 Ų38.126%0.25621%0.209SC..SBendtrans-129.5-166175.400000112.7Q26 R132 T136 Q158Q26-A130 PolarHBondContact NE2-O 3.11Å; Q26-A130 VanDerWaalsContact OE1-N 3.16Å; Q26-A130 PolarHBondContact OE1-O 2.98Å; A130-R132 PolarHBondContact O-N 3.33Å; A130-T136 PolarHBondContact O-OG1 2.95Å; A130-Q158 VanDerWaalsContact N-OE1 3.17Å
131G94.5Very high97.5Very high72 Ų7242.1 Ų42.174%0.74223%0.226SC*.SBendtrans66.7-126177.300000112.8F133G131-F133 PolarHBondContact O-N 3.08Å
132R96.1Very high97.5Very high155 Ų15539.7 Ų39.759%0.58521%0.213SC*.SBendtrans-63.6121.3178.5-88.9177.464.1-177.64.3110.5A130 D134 Q135 T136A130-R132 PolarHBondContact O-N 3.33Å; R132-D134 VanDerWaalsContact C-N 3.32Å; R132-D134 WeakPolarHBondContact CB-OD1 3.29Å; R132-D134 IonicContact CZ-OD1 2.68Å; R132-D134 IonicContact CZ-OD2 3.6Å; R132-D134 IonicContact NE-OD1 3.05Å; R132-D134 PolarHBondContact NE-OD1 2.98Å; R132-D134 VanDerWaalsContact NE-OD1 3.13Å; R132-D134 IonicContact NE-OD2 3.52Å; R132-D134 PolarHBondContact NE-OD2 2.88Å; R132-D134 IonicContact NH2-OD1 3.87Å; R132-D134 IonicContact NH2-OD2 3.8Å; R132-D134 PolarHBondContact NH2-OD2 2.87Å; R132-D134 PolarHBondContact O-N 3.44Å; R132-Q135 HydrophobicContact CB-CB 3.96Å; R132-Q135 HydrophobicContact CB-CG 3.91Å; R132-Q135 WeakPolarHBondContact O-CB 3.25Å; R132-Q135 PolarHBondContact O-N 2.8Å; R132-Q135 VanDerWaalsContact O-N 3.15Å; R132-T136 PolarHBondContact O-N 2.85Å; R132-T136 PolarHBondContact O-OG1 2.82Å
133F97.5Very high97.5Very high152 Ų15239.9 Ų39.967%0.66721%0.214SC*.Hα-helixtrans-61.8-39.9-178.4-179.6-110000112.5G131 Q135 T136 M137G131-F133 PolarHBondContact O-N 3.08Å; F133-Q135 VanDerWaalsContact C-N 3.29Å; F133-Q135 PolarHBondContact O-N 3.27Å; F133-T136 WeakPolarHBondContact O-CB 3.42Å; F133-T136 PolarHBondContact O-N 3.49Å; F133-T136 VanDerWaalsContact O-N 3.12Å; F133-M137 HydrophobicContact CD1-CG 4.44Å; F133-M137 HydrophobicContact CE1-CG 3.97Å; F133-M137 HydrophobicContact CE2-CE 3.86Å; F133-M137 HydrophobicContact CE2-CG 4.33Å; F133-M137 HydrophobicContact CE2-SD 4.3Å; F133-M137 HydrophobicContact CZ-CE 4.11Å; F133-M137 HydrophobicContact CZ-CG 3.9Å; F133-M137 HydrophobicContact CZ-SD 3.93Å; F133-M137 PolarHBondContact O-N 2.9Å
134D96.7Very high97.5Very high78 Ų7842.2 Ų42.242%0.41723%0.225SC..Hα-helixtrans-61-38.4176.262.3-65.2000111.9R132 M137 A138R132-D134 VanDerWaalsContact C-N 3.32Å; R132-D134 WeakPolarHBondContact CB-OD1 3.29Å; R132-D134 IonicContact CZ-OD1 2.68Å; R132-D134 IonicContact CZ-OD2 3.6Å; R132-D134 IonicContact NE-OD1 3.05Å; R132-D134 PolarHBondContact NE-OD1 2.98Å; R132-D134 VanDerWaalsContact NE-OD1 3.13Å; R132-D134 IonicContact NE-OD2 3.52Å; R132-D134 PolarHBondContact NE-OD2 2.88Å; R132-D134 IonicContact NH2-OD1 3.87Å; R132-D134 IonicContact NH2-OD2 3.8Å; R132-D134 PolarHBondContact NH2-OD2 2.87Å; R132-D134 PolarHBondContact O-N 3.44Å; D134-M137 PolarHBondContact O-N 3.37Å; D134-A138 WeakPolarHBondContact O-CB 3.5Å; D134-A138 PolarHBondContact O-N 2.89Å
135Q96.6Very high97.4Very high72 Ų7244.7 Ų44.734%0.33624%0.236SC..Hα-helixtrans-71.2-30.7175.3-70.7-68.2-18.200112.8R132 F133 A138 S139R132-Q135 HydrophobicContact CB-CB 3.96Å; R132-Q135 HydrophobicContact CB-CG 3.91Å; R132-Q135 WeakPolarHBondContact O-CB 3.25Å; R132-Q135 PolarHBondContact O-N 2.8Å; R132-Q135 VanDerWaalsContact O-N 3.15Å; F133-Q135 VanDerWaalsContact C-N 3.29Å; F133-Q135 PolarHBondContact O-N 3.27Å; Q135-A138 PolarHBondContact O-N 3.26Å; Q135-S139 PolarHBondContact O-N 3.48Å; Q135-S139 PolarHBondContact O-OG 3.38Å
136T97.9Very high97.4Very high19 Ų1945 Ų4512%0.11724%0.238CC..Hα-helixtrans-64.2-44.8170.6-59.70000110.8G128 A130 R132 F133 S139 V140G128-T136 WeakPolarHBondContact O-CA 3.19Å; A130-T136 PolarHBondContact O-OG1 2.95Å; R132-T136 PolarHBondContact O-N 2.85Å; R132-T136 PolarHBondContact O-OG1 2.82Å; F133-T136 WeakPolarHBondContact O-CB 3.42Å; F133-T136 PolarHBondContact O-N 3.49Å; F133-T136 VanDerWaalsContact O-N 3.12Å; T136-S139 WeakPolarHBondContact O-CB 3.49Å; T136-S139 PolarHBondContact O-N 2.88Å; T136-V140 PolarHBondContact O-N 3.2Å; T136-V140 VanDerWaalsContact O-N 3.11Å
137M98.2Very high97.3Very high73 Ų7346.2 Ų46.236%0.3624%0.244SC..Hα-helixtrans-66-37.8175.1-63.7-60.995.300112F133 D134 S139 V140 E141F133-M137 HydrophobicContact CD1-CG 4.44Å; F133-M137 HydrophobicContact CE1-CG 3.97Å; F133-M137 HydrophobicContact CE2-CE 3.86Å; F133-M137 HydrophobicContact CE2-CG 4.33Å; F133-M137 HydrophobicContact CE2-SD 4.3Å; F133-M137 HydrophobicContact CZ-CE 4.11Å; F133-M137 HydrophobicContact CZ-CG 3.9Å; F133-M137 HydrophobicContact CZ-SD 3.93Å; F133-M137 PolarHBondContact O-N 2.9Å; D134-M137 PolarHBondContact O-N 3.37Å; M137-S139 VanDerWaalsContact C-N 3.27Å; M137-S139 PolarHBondContact O-N 3.18Å; M137-V140 HydrophobicContact CE-CG2 4.45Å; M137-V140 WeakPolarHBondContact O-CB 3.4Å; M137-V140 PolarHBondContact O-N 3.43Å; M137-V140 VanDerWaalsContact O-N 3.16Å; M137-E141 PolarHBondContact O-N 3.46Å
138A97.6Very high97.2Very high23 Ų2351.1 Ų51.119%0.1928%0.278CS..Hα-helixtrans-63.6-3417400000112.4T100 D134 Q135 E141 T142T100-A138 HydrophobicContact CG2-CB 3.85Å; D134-A138 WeakPolarHBondContact O-CB 3.5Å; D134-A138 PolarHBondContact O-N 2.89Å; Q135-A138 PolarHBondContact O-N 3.26Å; A138-E141 WeakPolarHBondContact O-CB 3.35Å; A138-E141 PolarHBondContact O-N 3.22Å; A138-T142 PolarHBondContact O-N 2.96Å; A138-T142 PolarHBondContact O-OG1 3.16Å; A138-T142 VanDerWaalsContact O-OG1 3.13Å
139S98.4Very high97.3Very high5 Ų553.7 Ų53.74%0.03529%0.29CS..Hα-helixtrans-68.1-36174-59.60000112.2G128 Q135 T136 M137 T142 L143G128-S139 WeakPolarHBondContact CA-OG 3.15Å; G128-S139 WeakPolarHBondContact O-CB 3.28Å; G128-S139 PolarHBondContact O-OG 3.42Å; G128-S139 VanDerWaalsContact O-OG 3.08Å; Q135-S139 PolarHBondContact O-N 3.48Å; Q135-S139 PolarHBondContact O-OG 3.38Å; T136-S139 WeakPolarHBondContact O-CB 3.49Å; T136-S139 PolarHBondContact O-N 2.88Å; M137-S139 VanDerWaalsContact C-N 3.27Å; M137-S139 PolarHBondContact O-N 3.18Å; S139-T142 PolarHBondContact O-N 3.25Å; S139-L143 PolarHBondContact O-N 2.98Å
140V98.5Very high97.3Very high8 Ų852.6 Ų52.65%0.04829%0.285CS..Hα-helixtrans-65.4-43.5170.1174.70000110.8T136 M137 T142 L143 F144 I189T136-V140 PolarHBondContact O-N 3.2Å; T136-V140 VanDerWaalsContact O-N 3.11Å; M137-V140 HydrophobicContact CE-CG2 4.45Å; M137-V140 WeakPolarHBondContact O-CB 3.4Å; M137-V140 PolarHBondContact O-N 3.43Å; M137-V140 VanDerWaalsContact O-N 3.16Å; V140-T142 VanDerWaalsContact C-N 3.28Å; V140-T142 PolarHBondContact O-N 2.86Å; V140-L143 WeakPolarHBondContact O-CA 3.31Å; V140-L143 VanDerWaalsContact O-CB 3.3Å; V140-L143 WeakPolarHBondContact O-CB 3.49Å; V140-L143 PolarHBondContact O-N 3.08Å; V140-F144 HydrophobicContact CG1-CD2 4.19Å; V140-F144 HydrophobicContact CG1-CE2 3.95Å; V140-F144 WeakPolarHBondContact O-CD2 3.23Å; V140-F144 PolarHBondContact O-N 3.02Å; V140-I189 HydrophobicContact CG1-CD1 3.77Å; V140-I189 HydrophobicContact CG1-CG2 4.05Å; V140-I189 HydrophobicContact CG2-CD1 4.23Å
141E97.9Very high97.4Very high96 Ų9658.4 Ų58.445%0.44931%0.307SS..Hα-helixtrans-57.5-41.1175.2-17861.8-163.900111.5M137 A138 L143 F144 H145M137-E141 PolarHBondContact O-N 3.46Å; A138-E141 WeakPolarHBondContact O-CB 3.35Å; A138-E141 PolarHBondContact O-N 3.22Å; E141-L143 PolarHBondContact O-N 3.24Å; E141-F144 WeakPolarHBondContact O-CA 3.34Å; E141-F144 WeakPolarHBondContact O-CB 3.39Å; E141-F144 PolarHBondContact O-N 3.13Å; E141-H145 PolarHBondContact O-N 2.74Å; E141-H145 IonicContact OE1-CE1 3.32Å; E141-H145 PolarHBondContact OE1-CE1 2.92Å; E141-H145 IonicContact OE1-NE2 3.38Å
142T98.6Very high97.5Very high0 Ų057 Ų570%028%0.282CS..Hα-helixtrans-57.9-34.8172.9-570000112.4Y102 T103 L106 A138 S139 V140 H145 A146Y102-T142 VanDerWaalsContact CD1-CB 3.46Å; Y102-T142 HydrophobicContact CD1-CG2 3.52Å; Y102-T142 VanDerWaalsContact CD1-OG1 3.31Å; Y102-T142 WeakPolarHBondContact CD1-OG1 3.47Å; Y102-T142 HydrophobicContact CD2-CG2 4.15Å; Y102-T142 VanDerWaalsContact CE1-CB 3.5Å; Y102-T142 HydrophobicContact CE1-CG2 3.46Å; Y102-T142 VanDerWaalsContact CE1-CG2 3.46Å; Y102-T142 HydrophobicContact CE2-CG2 4.09Å; Y102-T142 HydrophobicContact CG-CG2 3.87Å; T103-T142 PolarHBondContact OG1-OG1 3.11Å; L106-T142 HydrophobicContact CD2-CG2 3.92Å; A138-T142 PolarHBondContact O-N 2.96Å; A138-T142 PolarHBondContact O-OG1 3.16Å; A138-T142 VanDerWaalsContact O-OG1 3.13Å; S139-T142 PolarHBondContact O-N 3.25Å; V140-T142 VanDerWaalsContact C-N 3.28Å; V140-T142 PolarHBondContact O-N 2.86Å; T142-H145 PolarHBondContact O-N 3.45Å; T142-A146 WeakPolarHBondContact O-CB 3.27Å; T142-A146 PolarHBondContact O-N 3.29Å
143L98.6Very high97.6Very high4 Ų450.6 Ų50.62%0.02126%0.261CS..Hα-helixtrans-67.4-34.7174.4-61.5178.5000112.3S139 V140 E141 A146 Q147 V154 I156 L165 L242S139-L143 PolarHBondContact O-N 2.98Å; V140-L143 WeakPolarHBondContact O-CA 3.31Å; V140-L143 VanDerWaalsContact O-CB 3.3Å; V140-L143 WeakPolarHBondContact O-CB 3.49Å; V140-L143 PolarHBondContact O-N 3.08Å; E141-L143 PolarHBondContact O-N 3.24Å; L143-A146 WeakPolarHBondContact O-CB 3.49Å; L143-A146 PolarHBondContact O-N 3.39Å; L143-Q147 PolarHBondContact O-N 2.93Å; L143-V154 HydrophobicContact CD2-CB 4.06Å; L143-V154 HydrophobicContact CD2-CG1 3.85Å; L143-V154 WeakPolarHBondContact CD2-O 3.43Å; L143-I156 HydrophobicContact CD1-CD1 4Å; L143-I156 HydrophobicContact CD1-CG1 4.3Å; L143-I156 HydrophobicContact CD2-CD1 4.14Å; L143-I156 HydrophobicContact CD2-CG1 4.07Å; L143-I156 HydrophobicContact CG-CD1 4Å; L143-I156 HydrophobicContact CG-CG1 4.41Å; L143-L165 HydrophobicContact CB-CB 3.86Å; L143-L165 HydrophobicContact CB-CD2 4.16Å; L143-L165 HydrophobicContact CD1-CB 4.34Å; L143-L242 HydrophobicContact CD1-CD1 3.9Å
144F98.3Very high97.6Very high49 Ų4943.7 Ų43.722%0.21523%0.231CC..Hα-helixtrans-66.2-45.9172.4-81.9-92.4000111.2V140 E141 A146 Q147 L165 I189 P240V140-F144 HydrophobicContact CG1-CD2 4.19Å; V140-F144 HydrophobicContact CG1-CE2 3.95Å; V140-F144 WeakPolarHBondContact O-CD2 3.23Å; V140-F144 PolarHBondContact O-N 3.02Å; E141-F144 WeakPolarHBondContact O-CA 3.34Å; E141-F144 WeakPolarHBondContact O-CB 3.39Å; E141-F144 PolarHBondContact O-N 3.13Å; F144-A146 VanDerWaalsContact C-N 3.32Å; F144-A146 PolarHBondContact O-N 2.99Å; F144-Q147 WeakPolarHBondContact O-CB 3.48Å; F144-Q147 PolarHBondContact O-N 3.08Å; F144-Q147 VanDerWaalsContact O-N 3.16Å; F144-L165 HydrophobicContact CB-CD2 4.29Å; F144-L165 HydrophobicContact CD1-CD2 3.87Å; F144-L165 HydrophobicContact CD2-CD2 3.68Å; F144-L165 HydrophobicContact CE1-CD2 4.05Å; F144-L165 HydrophobicContact CE2-CD1 3.91Å; F144-L165 HydrophobicContact CE2-CD2 3.85Å; F144-L165 HydrophobicContact CG-CD2 3.67Å; F144-L165 HydrophobicContact CZ-CD1 3.91Å; F144-L165 HydrophobicContact CZ-CD2 4.03Å; F144-I189 HydrophobicContact CE2-CG2 4.45Å; F144-P240 HydrophobicContact CD1-CB 4.49Å; F144-P240 HydrophobicContact CE1-CB 3.79Å; F144-P240 HydrophobicContact CE1-CG 4.27Å; F144-P240 HydrophobicContact CZ-CB 4.36Å
145H97.9Very high97.7Very high53 Ų5340 Ų4025%0.24521%0.211CC..Hα-helixtrans-59-42.2172.7-71.6-36.8000112.2T103 E141 T142 Q147 S148 M149T103-H145 HydrophobicContact CG2-CB 4.4Å; E141-H145 PolarHBondContact O-N 2.74Å; E141-H145 IonicContact OE1-CE1 3.32Å; E141-H145 PolarHBondContact OE1-CE1 2.92Å; E141-H145 IonicContact OE1-NE2 3.38Å; T142-H145 PolarHBondContact O-N 3.45Å; H145-Q147 PolarHBondContact O-N 3.3Å; H145-Q147 VanDerWaalsContact O-N 3.12Å; H145-S148 PolarHBondContact O-N 2.94Å; H145-S148 PolarHBondContact O-OG 3.36Å; H145-M149 HydrophobicContact CB-CE 3.78Å; H145-M149 HydrophobicContact CB-SD 4.29Å; H145-M149 VanDerWaalsContact O-CG 3.3Å; H145-M149 WeakPolarHBondContact O-CG 3.42Å; H145-M149 PolarHBondContact O-N 3.36Å
146A98.2Very high97.8Very high5 Ų536.5 Ų36.54%0.04120%0.195CC..Hα-helixtrans-55.9-33.4178.200000112.1L106 T142 L143 F144 S148 M149 T150 V154L106-A146 HydrophobicContact CD2-CB 3.74Å; T142-A146 WeakPolarHBondContact O-CB 3.27Å; T142-A146 PolarHBondContact O-N 3.29Å; L143-A146 WeakPolarHBondContact O-CB 3.49Å; L143-A146 PolarHBondContact O-N 3.39Å; F144-A146 VanDerWaalsContact C-N 3.32Å; F144-A146 PolarHBondContact O-N 2.99Å; A146-S148 VanDerWaalsContact C-N 3.27Å; A146-S148 PolarHBondContact O-N 3.32Å; A146-M149 PolarHBondContact O-N 3.39Å; A146-M149 VanDerWaalsContact O-N 3.08Å; A146-T150 PolarHBondContact O-N 2.87Å; A146-V154 HydrophobicContact CB-CB 4.31Å; A146-V154 HydrophobicContact CB-CG2 3.87Å
147Q96.3Very high97.8Very high30 Ų3035.6 Ų35.614%0.1419%0.189CC..Hα-helixtrans-63.7-28178.3-73.5-165.4-5.600113.6L143 F144 H145 L165 L166 R167L143-Q147 PolarHBondContact O-N 2.93Å; F144-Q147 WeakPolarHBondContact O-CB 3.48Å; F144-Q147 PolarHBondContact O-N 3.08Å; F144-Q147 VanDerWaalsContact O-N 3.16Å; H145-Q147 PolarHBondContact O-N 3.3Å; H145-Q147 VanDerWaalsContact O-N 3.12Å; Q147-L165 HydrophobicContact CG-CD2 4.1Å; Q147-L165 PolarHBondContact NE2-O 2.74Å; Q147-L165 VanDerWaalsContact NE2-O 3.1Å; Q147-L166 PolarHBondContact NE2-O 2.79Å; Q147-L166 VanDerWaalsContact NE2-O 3.14Å; Q147-R167 VanDerWaalsContact CA-NH2 3.27Å; Q147-R167 HydrophobicContact CG-CG 4.19Å; Q147-R167 PolarHBondContact O-NH1 2.99Å; Q147-R167 PolarHBondContact O-NH2 3.47Å
148S95.9Very high97.8Very high103 Ų10332.7 Ų32.772%0.7218%0.175SC*.Hα-helixtrans-87.1-21173.268.80000112.8H145 A146H145-S148 PolarHBondContact O-N 2.94Å; H145-S148 PolarHBondContact O-OG 3.36Å; A146-S148 VanDerWaalsContact C-N 3.27Å; A146-S148 PolarHBondContact O-N 3.32Å
149M97.3Very high97.6Very high57 Ų5737.6 Ų37.628%0.28119%0.194SC..Hα-helixtrans-91.8-31.9-172.8-63.6170179.700114.6T103 V107 L110 H145 A146T103-M149 HydrophobicContact CG2-CE 4.12Å; V107-M149 HydrophobicContact CG2-CE 3.96Å; V107-M149 HydrophobicContact CG2-SD 3.95Å; L110-M149 HydrophobicContact CD1-CB 3.71Å; H145-M149 HydrophobicContact CB-CE 3.78Å; H145-M149 HydrophobicContact CB-SD 4.29Å; H145-M149 VanDerWaalsContact O-CG 3.3Å; H145-M149 WeakPolarHBondContact O-CG 3.42Å; H145-M149 PolarHBondContact O-N 3.36Å; A146-M149 PolarHBondContact O-N 3.39Å; A146-M149 VanDerWaalsContact O-N 3.08Å
150T97.6Very high97.4Very high20 Ų2039.3 Ų39.312%0.12320%0.204CC..  trans-153.3148.8-173.8-176.40000113.3L110 A146 L152 V154 R167L110-T150 HydrophobicContact CD1-CG2 4Å; L110-T150 HydrophobicContact CD2-CG2 3.85Å; A146-T150 PolarHBondContact O-N 2.87Å; T150-L152 VanDerWaalsContact C-N 3.32Å; T150-L152 HydrophobicContact CG2-CB 4.35Å; T150-L152 WeakPolarHBondContact OG1-CB 3.41Å; T150-L152 WeakPolarHBondContact OG1-CG 3.46Å; T150-L152 PolarHBondContact OG1-N 2.92Å; T150-L152 VanDerWaalsContact OG1-N 3.08Å; T150-V154 HydrophobicContact CG2-CG2 4.15Å; T150-R167 PolarHBondContact O-NH2 3.15Å
151Q95.9Very high97.3Very high152 Ų15240.6 Ų40.671%0.7121%0.213SC*.SBendtrans-83.2-9.2169.6-64.5-58.2-3600113.2
152L97.5Very high97.3Very high42 Ų4236 Ų3622%0.2219%0.192CC..SBendtrans-66.2139.2177.9-62.1176.2000110.7I113 V120 I123 T150 V154I113-L152 HydrophobicContact CD1-CD1 4.32Å; V120-L152 HydrophobicContact CB-CD1 4.07Å; V120-L152 HydrophobicContact CG1-CD1 4.06Å; V120-L152 WeakPolarHBondContact O-CD2 3.33Å; I123-L152 HydrophobicContact CD1-CD1 4.18Å; I123-L152 HydrophobicContact CG1-CD1 4.3Å; T150-L152 VanDerWaalsContact C-N 3.32Å; T150-L152 HydrophobicContact CG2-CB 4.35Å; T150-L152 WeakPolarHBondContact OG1-CB 3.41Å; T150-L152 WeakPolarHBondContact OG1-CG 3.46Å; T150-L152 PolarHBondContact OG1-N 2.92Å; T150-L152 VanDerWaalsContact OG1-N 3.08Å; L152-V154 PolarHBondContact O-N 3.38Å
153P97.9Very high97.3Very high21 Ų2136.1 Ų36.114%0.13619%0.193CC..  trans-55.6130.8163.7-22.732.7000110.8W5 D121 T122 I123 L155 Y164W5-P153 HydrophobicContact CH2-CB 4.09Å; W5-P153 HydrophobicContact CZ2-CB 3.72Å; W5-P153 HydrophobicContact CZ2-CG 4.01Å; D121-P153 WeakPolarHBondContact O-CD 3.45Å; T122-P153 HydrophobicContact CG2-CB 4.3Å; I123-P153 PolarHBondContact N-O 3.25Å; P153-L155 HydrophobicContact CB-CD2 4.43Å; P153-Y164 HydrophobicContact CB-CE2 4.02Å
154V98.7Very high97.3Very high7 Ų737.2 Ų37.24%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-116.5118171.7-174.40000107.7L106 I123 L143 A146 T150 L152L106-V154 HydrophobicContact CD1-CG2 4.5Å; I123-V154 HydrophobicContact CB-CG1 4.47Å; I123-V154 HydrophobicContact CB-CG2 4.26Å; I123-V154 HydrophobicContact CD1-CG2 4.41Å; I123-V154 HydrophobicContact CG2-CG1 4.37Å; I123-V154 WeakPolarHBondContact O-CA 3.38Å; L143-V154 HydrophobicContact CD2-CB 4.06Å; L143-V154 HydrophobicContact CD2-CG1 3.85Å; L143-V154 WeakPolarHBondContact CD2-O 3.43Å; A146-V154 HydrophobicContact CB-CB 4.31Å; A146-V154 HydrophobicContact CB-CG2 3.87Å; T150-V154 HydrophobicContact CG2-CG2 4.15Å; L152-V154 PolarHBondContact O-N 3.38Å
155L98.3Very high97.3Very high0 Ų035.1 Ų35.10%019%0.188CC..EExtended strand (participates in β ladder)trans-113.6144-174.4-47.5179.6000110W5 T122 I123 T125 P153 L162 A163 Y164W5-L155 HydrophobicContact CH2-CD1 3.75Å; W5-L155 HydrophobicContact CH2-CD2 3.5Å; W5-L155 VanDerWaalsContact CH2-CD2 3.5Å; W5-L155 HydrophobicContact CH2-CG 4.16Å; W5-L155 HydrophobicContact CZ2-CD1 3.94Å; W5-L155 HydrophobicContact CZ2-CD2 4.23Å; W5-L155 HydrophobicContact CZ3-CD2 4.4Å; T122-L155 HydrophobicContact CG2-CD1 3.53Å; T122-L155 HydrophobicContact CG2-CG 3.76Å; I123-L155 PolarHBondContact O-N 2.89Å; T125-L155 WeakPolarHBondContact CB-O 3.44Å; T125-L155 PolarHBondContact N-O 2.81Å; P153-L155 HydrophobicContact CB-CD2 4.43Å; L155-L162 HydrophobicContact CD1-CD1 4.25Å; L155-A163 WeakPolarHBondContact CA-O 3.35Å; L155-Y164 HydrophobicContact CD2-CD1 4.36Å; L155-Y164 HydrophobicContact CD2-CD2 3.57Å; L155-Y164 HydrophobicContact CD2-CE2 4.42Å; L155-Y164 HydrophobicContact CD2-CG 3.57Å
156I98.7Very high97.4Very high0 Ų032.6 Ų32.60%018%0.177CC..EExtended strand (participates in β ladder)trans-114.2127168.6-48.2-177.5000107.9Y102 T125 G127 L129 L143 L162 A163Y102-I156 HydrophobicContact CE1-CD1 3.86Å; Y102-I156 HydrophobicContact CE1-CG1 4.48Å; T125-I156 HydrophobicContact CG2-CG2 4.48Å; T125-I156 WeakPolarHBondContact O-CA 3.29Å; G127-I156 WeakPolarHBondContact O-CG2 3.43Å; L129-I156 HydrophobicContact CD1-CB 4.28Å; L129-I156 HydrophobicContact CD1-CG2 4.05Å; L129-I156 HydrophobicContact CD2-CB 4.25Å; L129-I156 HydrophobicContact CD2-CD1 4.4Å; L129-I156 HydrophobicContact CD2-CG2 4.02Å; L129-I156 HydrophobicContact CG-CB 4.24Å; L129-I156 HydrophobicContact CG-CG2 3.66Å; L143-I156 HydrophobicContact CD1-CD1 4Å; L143-I156 HydrophobicContact CD1-CG1 4.3Å; L143-I156 HydrophobicContact CD2-CD1 4.14Å; L143-I156 HydrophobicContact CD2-CG1 4.07Å; L143-I156 HydrophobicContact CG-CD1 4Å; L143-I156 HydrophobicContact CG-CG1 4.41Å; I156-L162 CarbonylContact O-C 3.55Å; I156-L162 VanDerWaalsContact O-CA 3.31Å; I156-L162 WeakPolarHBondContact O-CA 3.14Å; I156-A163 HydrophobicContact CB-CB 4.48Å; I156-A163 PolarHBondContact N-O 2.75Å; I156-A163 PolarHBondContact O-N 3.42Å
157I98.4Very high97.3Very high0 Ų035.1 Ų35.10%019%0.185CC..EExtended strand (participates in β ladder)trans-120.8126.8177.6-62175.7000108.3L11 V124 T125 L126 G127 S161 L162 L247L11-I157 HydrophobicContact CD1-CD1 4.1Å; L11-I157 HydrophobicContact CD2-CD1 4.3Å; L11-I157 HydrophobicContact CG-CD1 4.18Å; V124-I157 HydrophobicContact CG1-CD1 3.75Å; V124-I157 HydrophobicContact CG1-CG1 4.34Å; T125-I157 PolarHBondContact O-N 3.27Å; L126-I157 WeakPolarHBondContact CA-O 3.16Å; L126-I157 HydrophobicContact CD2-CB 4.09Å; L126-I157 HydrophobicContact CD2-CG2 4.22Å; G127-I157 PolarHBondContact N-O 3.42Å; I157-S161 WeakPolarHBondContact CA-O 3.23Å; I157-L162 HydrophobicContact CD1-CD1 4.24Å; I157-L162 HydrophobicContact CG1-CB 4.41Å; I157-L162 HydrophobicContact CG1-CD1 4.08Å; I157-L162 HydrophobicContact CG1-CG 4.21Å; I157-L247 HydrophobicContact CG2-CD1 3.81Å
158Q96.5Very high97.4Very high11 Ų1136.9 Ų36.95%0.05120%0.199CC..EExtended strand (participates in β ladder)trans-149.2131.9172.3-179.5161.2-1.300110.6G127 L129 A130 T160 S161G127-Q158 VanDerWaalsContact C-OE1 3.31Å; L129-Q158 HydrophobicContact CB-CB 4.06Å; L129-Q158 HydrophobicContact CD1-CB 4.36Å; L129-Q158 HydrophobicContact CG-CB 4.39Å; A130-Q158 VanDerWaalsContact N-OE1 3.17Å; Q158-T160 PolarHBondContact O-N 3.45Å; Q158-S161 PolarHBondContact N-O 3.24Å; Q158-S161 PolarHBondContact O-N 2.87Å
159E93.6Very high97.5Very high127 Ų12733.5 Ų33.559%0.59318%0.181SC*.THydrogen-bonded Turntrans49.1-113.5-174.6-61.9175.8-173.400110.2H32H32-E159 PolarHBondContact CE1-O 3.27Å
160T94.4Very high97.5Very high41 Ų4135.3 Ų35.325%0.25219%0.19SC..THydrogen-bonded Turntrans-102.914.5-178.959.20000114Q158 G246 L247 I249Q158-T160 PolarHBondContact O-N 3.45Å; T160-G246 CarbonylContact O-C 3.47Å; T160-G246 VanDerWaalsContact O-CA 3.29Å; T160-G246 WeakPolarHBondContact O-CA 3.38Å; T160-L247 PolarHBondContact O-N 3.15Å; T160-I249 HydrophobicContact CG2-CD1 3.59Å; T160-I249 HydrophobicContact CG2-CG1 3.17Å
161S97.2Very high97.5Very high34 Ų3435.7 Ų35.724%0.23819%0.191CC..EExtended strand (participates in β ladder)trans-121132.3-171.7-62.40000110.5I157 Q158I157-S161 WeakPolarHBondContact CA-O 3.23Å; Q158-S161 PolarHBondContact N-O 3.24Å; Q158-S161 PolarHBondContact O-N 2.87Å
162L98.3Very high97.6Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-109.4141164-178.8153.2000109.4P7 L8 L155 I156 I157 S244 M245P7-L162 HydrophobicContact CB-CD1 4.17Å; L8-L162 HydrophobicContact CD2-CD1 3.45Å; L8-L162 VanDerWaalsContact CD2-CD1 3.45Å; L155-L162 HydrophobicContact CD1-CD1 4.25Å; I156-L162 CarbonylContact O-C 3.55Å; I156-L162 VanDerWaalsContact O-CA 3.31Å; I156-L162 WeakPolarHBondContact O-CA 3.14Å; I157-L162 HydrophobicContact CD1-CD1 4.24Å; I157-L162 HydrophobicContact CG1-CB 4.41Å; I157-L162 HydrophobicContact CG1-CD1 4.08Å; I157-L162 HydrophobicContact CG1-CG 4.21Å; L162-S244 WeakPolarHBondContact O-CA 3.37Å; L162-S244 WeakPolarHBondContact O-CB 3.23Å; L162-S244 PolarHBondContact O-OG 2.88Å; L162-M245 HydrophobicContact CB-CG 3.92Å; L162-M245 HydrophobicContact CD2-CG 4.11Å; L162-M245 HydrophobicContact CD2-SD 4.34Å; L162-M245 HydrophobicContact CG-CG 4.49Å; L162-M245 PolarHBondContact N-O 3.43Å; L162-M245 PolarHBondContact O-N 2.81Å; L162-M245 VanDerWaalsContact O-N 3.08Å
163A98.6Very high97.7Very high3 Ų331.2 Ų31.23%0.02516%0.164CC..EExtended strand (participates in β ladder)trans-126.1136.3170.300000110.9L129 L155 I156 L242 W243L129-A163 HydrophobicContact CD1-CB 3.99Å; L129-A163 HydrophobicContact CD2-CB 4.05Å; L155-A163 WeakPolarHBondContact CA-O 3.35Å; I156-A163 HydrophobicContact CB-CB 4.48Å; I156-A163 PolarHBondContact N-O 2.75Å; I156-A163 PolarHBondContact O-N 3.42Å; A163-L242 HydrophobicContact CB-CD1 4.32Å; A163-W243 WeakPolarHBondContact CA-O 3.18Å
164Y98.5Very high97.7Very high26 Ų2630.3 Ų30.310%0.10216%0.159CC..EExtended strand (participates in β ladder)trans-146.6127.7178.6173.3-137.2000110.3W5 P153 L155 L166 W243W5-Y164 HydrophobicContact CE3-CE1 4.24Å; W5-Y164 HydrophobicContact CH2-CD1 4.33Å; W5-Y164 HydrophobicContact CH2-CE1 4.41Å; W5-Y164 AromaticContact CZ3-CD1 3.75Å; W5-Y164 HydrophobicContact CZ3-CD1 3.75Å; W5-Y164 AromaticContact CZ3-CE1 3.7Å; W5-Y164 HydrophobicContact CZ3-CE1 3.7Å; W5-Y164 HydrophobicContact CZ3-CG 4.48Å; P153-Y164 HydrophobicContact CB-CE2 4.02Å; L155-Y164 HydrophobicContact CD2-CD1 4.36Å; L155-Y164 HydrophobicContact CD2-CD2 3.57Å; L155-Y164 HydrophobicContact CD2-CE2 4.42Å; L155-Y164 HydrophobicContact CD2-CG 3.57Å; Y164-L166 HydrophobicContact CD1-CD2 3.53Å; Y164-L166 HydrophobicContact CE1-CD2 3.31Å; Y164-L166 PolarHBondContact O-N 2.91Å; Y164-W243 PolarHBondContact N-O 3.43Å; Y164-W243 PolarHBondContact O-N 2.97Å
165L98.6Very high97.6Very high6 Ų630 Ų303%0.03116%0.157CC..EExtended strand (participates in β ladder)trans-88.8106.7179.2-168.670000111L143 F144 Q147 P240 L242L143-L165 HydrophobicContact CB-CB 3.86Å; L143-L165 HydrophobicContact CB-CD2 4.16Å; L143-L165 HydrophobicContact CD1-CB 4.34Å; F144-L165 HydrophobicContact CB-CD2 4.29Å; F144-L165 HydrophobicContact CD1-CD2 3.87Å; F144-L165 HydrophobicContact CD2-CD2 3.68Å; F144-L165 HydrophobicContact CE1-CD2 4.05Å; F144-L165 HydrophobicContact CE2-CD1 3.91Å; F144-L165 HydrophobicContact CE2-CD2 3.85Å; F144-L165 HydrophobicContact CG-CD2 3.67Å; F144-L165 HydrophobicContact CZ-CD1 3.91Å; F144-L165 HydrophobicContact CZ-CD2 4.03Å; Q147-L165 HydrophobicContact CG-CD2 4.1Å; Q147-L165 PolarHBondContact NE2-O 2.74Å; Q147-L165 VanDerWaalsContact NE2-O 3.1Å; L165-P240 HydrophobicContact CD1-CB 4.29Å; L165-P240 HydrophobicContact CD2-CB 4.33Å; L165-P240 HydrophobicContact CG-CB 4.31Å; L165-L242 HydrophobicContact CB-CD1 4.3Å; L165-L242 HydrophobicContact CD1-CB 4.11Å; L165-L242 HydrophobicContact CD1-CD1 4.18Å
166L98.4Very high97.4Very high0 Ų034.1 Ų34.10%018%0.179CC..EExtended strand (participates in β ladder)trans-67.6138.7174.2-55179.5000109.7Q147 Y164 H171 L173 L186 V235 P240 L241 W243Q147-L166 PolarHBondContact NE2-O 2.79Å; Q147-L166 VanDerWaalsContact NE2-O 3.14Å; Y164-L166 HydrophobicContact CD1-CD2 3.53Å; Y164-L166 HydrophobicContact CE1-CD2 3.31Å; Y164-L166 PolarHBondContact O-N 2.91Å; L166-H171 HydrophobicContact CD2-CB 4.26Å; L166-L173 HydrophobicContact CD2-CD2 4.47Å; L166-L186 HydrophobicContact CD1-CD2 4.35Å; L166-V235 HydrophobicContact CD1-CB 3.9Å; L166-V235 HydrophobicContact CD1-CG1 3.69Å; L166-V235 HydrophobicContact CD1-CG2 4.23Å; L166-P240 VanDerWaalsContact O-CA 3.25Å; L166-P240 WeakPolarHBondContact O-CA 3.46Å; L166-L241 VanDerWaalsContact CB-O 3.26Å; L166-L241 WeakPolarHBondContact CB-O 3.5Å; L166-L241 WeakPolarHBondContact CG-O 3.34Å; L166-L241 PolarHBondContact N-O 2.89Å; L166-L241 PolarHBondContact O-N 2.81Å; L166-L241 VanDerWaalsContact O-N 3.09Å; L166-W243 HydrophobicContact CD1-CB 4.07Å; L166-W243 HydrophobicContact CD2-CB 4.24Å; L166-W243 HydrophobicContact CG-CB 3.95Å
167R97.7Very high97.2Very high57 Ų5735.6 Ų35.622%0.21519%0.188CC..PPolyproline II helixtrans-78.8162.2170.6-67.3174.3177.6-79.45.1110.5Q147 T150 G169 H171 T237Q147-R167 VanDerWaalsContact CA-NH2 3.27Å; Q147-R167 HydrophobicContact CG-CG 4.19Å; Q147-R167 PolarHBondContact O-NH1 2.99Å; Q147-R167 PolarHBondContact O-NH2 3.47Å; T150-R167 PolarHBondContact O-NH2 3.15Å; R167-G169 PolarHBondContact O-N 3.01Å; R167-H171 PolarHBondContact O-NE2 3.13Å; R167-T237 WeakPolarHBondContact O-CG2 3.37Å
168P97.9Very high97Very high68 Ų6838 Ų3844%0.44221%0.213SC..SBendtrans-51.2131.8161.9-26.936.3000111.2T237 D238 P240P168-T237 CarbonylContact C-O 3.55Å; P168-T237 WeakPolarHBondContact CA-O 3.1Å; P168-D238 WeakPolarHBondContact CB-O 3.35Å; P168-P240 HydrophobicContact CG-CG 4.48Å
169G97.4Very high96.9Very high32 Ų3238.9 Ų38.933%0.3322%0.218SC..EExtended strand (participates in β ladder)trans135.5-160.9-177.500000113.5R167 T236 T237R167-G169 PolarHBondContact O-N 3.01Å; G169-T236 VanDerWaalsContact O-CA 3.31Å; G169-T236 WeakPolarHBondContact O-CA 3.23Å; G169-T237 PolarHBondContact N-O 2.91Å; G169-T237 PolarHBondContact O-N 3.43Å
170I97.8Very high97Very high94 Ų9433 Ų3348%0.48219%0.19SC..EExtended strand (participates in β ladder)trans-109.7127.9-178.5-54175.2000108.3T234 T236I170-T234 HydrophobicContact CG2-CG2 3.9Å; I170-T236 HydrophobicContact CG1-CG2 3.97Å
171H98.1Very high97.1Very high29 Ų2931.2 Ų31.213%0.13418%0.181CC..EExtended strand (participates in β ladder)trans-121.1138.2179.1-60.3-89.7000109.4L166 R167 L173 T234 V235L166-H171 HydrophobicContact CD2-CB 4.26Å; R167-H171 PolarHBondContact O-NE2 3.13Å; H171-L173 HydrophobicContact CB-CD2 4.35Å; H171-T234 CarbonylContact O-C 3.54Å; H171-T234 VanDerWaalsContact O-CA 3.25Å; H171-T234 WeakPolarHBondContact O-CA 3.47Å; H171-T234 WeakPolarHBondContact O-CG2 3.31Å; H171-V235 PolarHBondContact N-O 3.03Å; H171-V235 PolarHBondContact O-N 3.43Å
172R98.2Very high97Very high98 Ų9836.8 Ų36.837%0.3720%0.203SC..EExtended strand (participates in β ladder)trans-122.5101.9175.9-171.5-178.9151.589.4-4.5109.2E4 W5 P232E4-R172 WeakPolarHBondContact CA-O 3.42Å; E4-R172 HydrophobicContact CB-CG 4.34Å; E4-R172 HydrophobicContact CG-CG 4.36Å; E4-R172 IonicContact OE2-CZ 2.75Å; E4-R172 IonicContact OE2-NE 2.83Å; E4-R172 PolarHBondContact OE2-NE 2.84Å; E4-R172 IonicContact OE2-NH2 3.19Å; E4-R172 PolarHBondContact OE2-NH2 3.23Å; W5-R172 PolarHBondContact N-O 2.73Å; R172-P232 HydrophobicContact CG-CB 4Å
173L98.2Very high97Very high2 Ų241 Ų411%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-97.4114.7-171-53.4179.1000110.5W5 L166 H171 V175 P232 V233 V235 W243W5-L173 HydrophobicContact CE3-CD2 3.99Å; W5-L173 HydrophobicContact CZ3-CD2 4.36Å; W5-L173 CarbonylContact O-C 3.57Å; W5-L173 VanDerWaalsContact O-CA 3.31Å; W5-L173 WeakPolarHBondContact O-CA 3.45Å; L166-L173 HydrophobicContact CD2-CD2 4.47Å; H171-L173 HydrophobicContact CB-CD2 4.35Å; L173-V175 HydrophobicContact CB-CG1 4.43Å; L173-V175 PolarHBondContact O-N 3.39Å; L173-P232 CarbonylContact O-C 3.53Å; L173-P232 VanDerWaalsContact O-CA 3.26Å; L173-P232 WeakPolarHBondContact O-CA 3.28Å; L173-P232 WeakPolarHBondContact O-CB 3.17Å; L173-V233 HydrophobicContact CB-CB 4.46Å; L173-V233 PolarHBondContact N-O 2.95Å; L173-V233 PolarHBondContact O-N 3.38Å; L173-V235 HydrophobicContact CD1-CG2 4.46Å; L173-W243 HydrophobicContact CD1-CD2 3.66Å; L173-W243 HydrophobicContact CD1-CE3 3.98Å; L173-W243 HydrophobicContact CD1-CG 4Å; L173-W243 HydrophobicContact CD1-CH2 4.45Å; L173-W243 HydrophobicContact CD1-CZ2 4.17Å; L173-W243 HydrophobicContact CD1-CZ3 4.36Å
174G97.3Very high97Very high2 Ų240.8 Ų40.82%0.02122%0.217CC..  trans-69.8120.8170.200000110.3W5 P7W5-G174 PolarHBondContact O-N 2.86Å; P7-G174 WeakPolarHBondContact CD-O 3.3Å
175V96.9Very high97Very high1 Ų140 Ų401%0.00622%0.215CC..  trans-128.841-174.6-66.60000111.6L173 E180 Y221 R230 V233 W243 M245L173-V175 HydrophobicContact CB-CG1 4.43Å; L173-V175 PolarHBondContact O-N 3.39Å; V175-E180 VanDerWaalsContact C-OE1 3.26Å; V175-E180 HydrophobicContact CB-CG 4.1Å; V175-Y221 HydrophobicContact CB-CD1 4.16Å; V175-Y221 HydrophobicContact CB-CE1 3.86Å; V175-Y221 HydrophobicContact CG1-CD1 4.49Å; V175-Y221 HydrophobicContact CG1-CE1 3.87Å; V175-Y221 HydrophobicContact CG2-CD1 3.82Å; V175-Y221 HydrophobicContact CG2-CE1 4.03Å; V175-R230 HydrophobicContact CG2-CB 4.43Å; V175-R230 VanDerWaalsContact O-CD 3.23Å; V175-R230 WeakPolarHBondContact O-CD 3.44Å; V175-V233 HydrophobicContact CG1-CG2 4.39Å; V175-V233 HydrophobicContact CG2-CG2 3.85Å; V175-W243 HydrophobicContact CG1-CZ2 4.35Å; V175-M245 HydrophobicContact CG1-CE 4.22Å
176N94.8Very high97Very high85 Ų8539.7 Ų39.746%0.45521%0.214SC..  trans-134.133.9-173.2-167.664.9000112.5G178 E180 P229 R230N176-G178 VanDerWaalsContact C-N 3.31Å; N176-E180 PolarHBondContact N-OE1 3.08Å; N176-P229 WeakPolarHBondContact ND2-CB 3.11Å; N176-P229 WeakPolarHBondContact OD1-CA 3.32Å; N176-R230 HydrophobicContact CB-CB 4.18Å; N176-R230 PolarHBondContact OD1-N 2.83Å
177T94.6Very high97Very high31 Ų3141.3 Ų41.319%0.1922%0.222CC..SBendtrans-77.3-20.4173.963.70000112.6T6 L8 L12 L179 E180T6-T177 HydrophobicContact CG2-CG2 3.31Å; L8-T177 HydrophobicContact CB-CG2 4.1Å; L12-T177 HydrophobicContact CD1-CG2 3.81Å; L12-T177 HydrophobicContact CG-CG2 4.41Å; T177-L179 VanDerWaalsContact C-N 3.28Å; T177-L179 WeakPolarHBondContact OG1-CB 3.23Å; T177-L179 PolarHBondContact OG1-N 3.23Å; T177-L179 VanDerWaalsContact OG1-N 3.17Å; T177-E180 VanDerWaalsContact CB-OE1 3.32Å; T177-E180 WeakPolarHBondContact CB-OE1 3.44Å; T177-E180 WeakPolarHBondContact CG2-OE1 3.47Å; T177-E180 VanDerWaalsContact N-CD 3.32Å; T177-E180 PolarHBondContact N-OE1 3.1Å; T177-E180 PolarHBondContact N-OE2 2.97Å; T177-E180 PolarHBondContact OG1-OE1 3.44Å; T177-E180 PolarHBondContact OG1-OE2 3.32Å; T177-E180 VanDerWaalsContact OG1-OE2 3.09Å
178G93.6Very high97Very high51 Ų5138.7 Ų38.753%0.52621%0.212SC..SBendtrans85.9-1-170.300000113.1N176 E180N176-G178 VanDerWaalsContact C-N 3.31Å; G178-E180 PolarHBondContact N-OE2 2.86Å
179L95.1Very high97Very high29 Ų2938.2 Ų38.215%0.15221%0.206CC..  trans-94.2-13.6173.6-59.9178.5000112.5L8 L11 L12 T177 G181 L247 H248L8-L179 HydrophobicContact CB-CB 4.37Å; L8-L179 HydrophobicContact CB-CD1 4.44Å; L8-L179 HydrophobicContact CD1-CB 3.75Å; L11-L179 HydrophobicContact CB-CD1 3.57Å; L12-L179 HydrophobicContact CD2-CD1 3.77Å; L12-L179 HydrophobicContact CD2-CG 4.02Å; L12-L179 HydrophobicContact CG-CD1 4.04Å; T177-L179 VanDerWaalsContact C-N 3.28Å; T177-L179 WeakPolarHBondContact OG1-CB 3.23Å; T177-L179 PolarHBondContact OG1-N 3.23Å; T177-L179 VanDerWaalsContact OG1-N 3.17Å; L179-G181 PolarHBondContact O-N 2.8Å; L179-L247 CarbonylContact O-C 3.46Å; L179-L247 WeakPolarHBondContact O-CA 3.1Å; L179-H248 PolarHBondContact O-N 2.84Å
180E96.4Very high96.9Very high3 Ų339.4 Ų39.41%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-68.9124.3-177-62.679.1-167.200111.1L8 V175 N176 T177 G178 Y221 R230 M245 H248L8-E180 HydrophobicContact CD1-CB 4.3Å; L8-E180 HydrophobicContact CD1-CG 3.73Å; V175-E180 VanDerWaalsContact C-OE1 3.26Å; V175-E180 HydrophobicContact CB-CG 4.1Å; N176-E180 PolarHBondContact N-OE1 3.08Å; T177-E180 VanDerWaalsContact CB-OE1 3.32Å; T177-E180 WeakPolarHBondContact CB-OE1 3.44Å; T177-E180 WeakPolarHBondContact CG2-OE1 3.47Å; T177-E180 VanDerWaalsContact N-CD 3.32Å; T177-E180 PolarHBondContact N-OE1 3.1Å; T177-E180 PolarHBondContact N-OE2 2.97Å; T177-E180 PolarHBondContact OG1-OE1 3.44Å; T177-E180 PolarHBondContact OG1-OE2 3.32Å; T177-E180 VanDerWaalsContact OG1-OE2 3.09Å; G178-E180 PolarHBondContact N-OE2 2.86Å; E180-Y221 HydrophobicContact CB-CE2 4.47Å; E180-R230 VanDerWaalsContact CB-NH1 3.25Å; E180-M245 HydrophobicContact CB-CE 4.12Å; E180-M245 HydrophobicContact CG-CE 3.45Å; E180-M245 VanDerWaalsContact CG-CE 3.45Å; E180-H248 PolarHBondContact O-CD2 2.84Å; E180-H248 PolarHBondContact O-NE2 3.34Å
181G95.8Very high96.9Very high5 Ų536.1 Ų36.15%0.05221%0.207CC..EExtended strand (participates in β ladder)trans-65.9-167172.400000113.2L179 Y221 G246L179-G181 PolarHBondContact O-N 2.8Å; G181-Y221 VanDerWaalsContact O-CE2 3.25Å; G181-Y221 WeakPolarHBondContact O-CE2 3.42Å; G181-G246 PolarHBondContact N-O 3.25Å
182E94.8Very high96.9Very high150 Ų15037.9 Ų37.970%0.70122%0.221SC*.EExtended strand (participates in β ladder)trans-87.1-14.6-175.3-62.4-168.1158.400114.1T220E182-T220 WeakPolarHBondContact O-CB 3.44Å; E182-T220 PolarHBondContact O-OG1 3.44Å
183W97.8Very high97Very high88 Ų8833.2 Ų33.233%0.33320%0.203SC..EExtended strand (participates in β ladder)trans-120.9152.6-172.767.9-95.6000112.8N219 S244 G246W183-N219 CarbonylContact C-O 3.6Å; W183-N219 VanDerWaalsContact CA-O 3.27Å; W183-N219 WeakPolarHBondContact CA-O 3.32Å; W183-S244 WeakPolarHBondContact CH2-OG 3.3Å; W183-G246 VanDerWaalsContact CE2-CA 3.46Å; W183-G246 PolarHBondContact O-N 3.29Å
184C98.6Very high97Very high0 Ų037.1 Ų37.10%022%0.222CC..EExtended strand (participates in β ladder)trans-146164166.362.50000111L200 N219 Y221 W243 S244 M245C184-L200 WeakPolarHBondContact SG-CD2 3.37Å; C184-N219 PolarHBondContact N-O 3.16Å; C184-N219 CarbonylContact O-C 3.55Å; C184-N219 WeakPolarHBondContact O-CA 3.43Å; C184-N219 VanDerWaalsContact O-CB 3.3Å; C184-N219 WeakPolarHBondContact O-CB 3.22Å; C184-N219 PolarHBondContact O-N 2.77Å; C184-Y221 HydrophobicContact CB-CE1 4.26Å; C184-W243 HydrophobicContact CB-CH2 3.52Å; C184-W243 HydrophobicContact CB-CZ2 3.92Å; C184-W243 HydrophobicContact CB-CZ3 4Å; C184-S244 CarbonylContact C-O 3.55Å; C184-S244 VanDerWaalsContact CA-O 3.23Å; C184-S244 WeakPolarHBondContact CA-O 3.17Å; C184-S244 WeakPolarHBondContact CB-O 3.41Å; C184-M245 HydrophobicContact CB-CB 4.19Å
185S98.8Very high97Very high8 Ų837.1 Ų37.16%0.05622%0.221CC..EExtended strand (participates in β ladder)trans-145151.8-175-57.50000112.3S216 S244S185-S216 CarbonylContact C-O 3.45Å; S185-S216 WeakPolarHBondContact CA-O 3.48Å; S185-S216 VanDerWaalsContact CB-O 3.3Å; S185-S216 WeakPolarHBondContact CB-O 3.26Å; S185-S244 PolarHBondContact N-O 2.8Å; S185-S244 PolarHBondContact O-N 3.24Å
186L98.9Very high97.1Very high1 Ų139.5 Ų39.51%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-125.1113.4170.6-66.2162.7000107.8L166 T195 T197 L200 L204 L209 S216 V235 L241 L242 W243L166-L186 HydrophobicContact CD1-CD2 4.35Å; L186-T195 HydrophobicContact CD1-CG2 4.47Å; L186-T197 HydrophobicContact CD1-CG2 3.64Å; L186-L200 HydrophobicContact CD1-CD1 4.18Å; L186-L204 HydrophobicContact CD1-CD1 4.04Å; L186-L209 HydrophobicContact CB-CD1 3.66Å; L186-S216 PolarHBondContact N-O 2.73Å; L186-S216 PolarHBondContact O-N 2.61Å; L186-V235 HydrophobicContact CD2-CG1 3.93Å; L186-V235 HydrophobicContact CD2-CG2 4.13Å; L186-L241 HydrophobicContact CB-CD1 4.3Å; L186-L241 HydrophobicContact CB-CD2 4.13Å; L186-L241 HydrophobicContact CB-CG 4.3Å; L186-L241 HydrophobicContact CD2-CD2 3.79Å; L186-L241 HydrophobicContact CD2-CG 4.15Å; L186-L241 HydrophobicContact CG-CD2 4.41Å; L186-L242 CarbonylContact C-O 3.5Å; L186-L242 WeakPolarHBondContact CA-O 3.45Å; L186-W243 HydrophobicContact CD2-CE3 3.8Å; L186-W243 HydrophobicContact CD2-CZ3 4.46Å; L186-W243 HydrophobicContact CG-CE3 4.38Å
187I98.8Very high97.3Very high33 Ų3335.7 Ų35.717%0.16922%0.216CC..EExtended strand (participates in β ladder)trans-121.3112.5-167.2-46.2177.3000110.1I189 F211 V215 L242I187-I189 VanDerWaalsContact C-N 3.27Å; I187-I189 HydrophobicContact CB-CG1 4.28Å; I187-I189 HydrophobicContact CG2-CD1 4.12Å; I187-I189 HydrophobicContact CG2-CG1 3.58Å; I187-I189 PolarHBondContact O-N 3.4Å; I187-F211 HydrophobicContact CG2-CE2 3.74Å; I187-F211 HydrophobicContact CG2-CZ 3.51Å; I187-V215 HydrophobicContact CB-CG1 4.31Å; I187-V215 HydrophobicContact CG1-CG1 4.25Å; I187-V215 HydrophobicContact CG2-CG1 4.01Å; I187-L242 HydrophobicContact CB-CB 4.18Å; I187-L242 HydrophobicContact CB-CD2 4.49Å; I187-L242 HydrophobicContact CD1-CD2 4.35Å; I187-L242 PolarHBondContact N-O 3.01Å; I187-L242 WeakPolarHBondContact O-CB 3.3Å; I187-L242 PolarHBondContact O-N 2.84Å
188P98.5Very high97.5Very high2 Ų237.6 Ų37.61%0.01323%0.227CC..  trans-84.362.1-174.336.9-37.8000111.1G190 G191 C193 L209 F211 V215 L241P188-G190 PolarHBondContact O-N 2.94Å; P188-G191 WeakPolarHBondContact CB-O 3.3Å; P188-G191 PolarHBondContact O-N 2.94Å; P188-C193 HydrophobicContact CB-CB 4.37Å; P188-L209 HydrophobicContact CB-CB 4.02Å; P188-L209 WeakPolarHBondContact CB-O 3.35Å; P188-L209 HydrophobicContact CG-CB 3.86Å; P188-F211 HydrophobicContact CG-CD2 4.13Å; P188-F211 HydrophobicContact CG-CE2 4.33Å; P188-F211 WeakPolarHBondContact O-CD2 3.45Å; P188-V215 HydrophobicContact CG-CG2 4.25Å; P188-L241 HydrophobicContact CB-CD1 4.13Å
189I96.9Very high97.7Very high59 Ų5935.5 Ų35.530%0.30321%0.206SC..  trans-63.4-39.7-171.6-64-176000112.4V140 F144 I187 F211 L242V140-I189 HydrophobicContact CG1-CD1 3.77Å; V140-I189 HydrophobicContact CG1-CG2 4.05Å; V140-I189 HydrophobicContact CG2-CD1 4.23Å; F144-I189 HydrophobicContact CE2-CG2 4.45Å; I187-I189 VanDerWaalsContact C-N 3.27Å; I187-I189 HydrophobicContact CB-CG1 4.28Å; I187-I189 HydrophobicContact CG2-CD1 4.12Å; I187-I189 HydrophobicContact CG2-CG1 3.58Å; I187-I189 PolarHBondContact O-N 3.4Å; I189-F211 HydrophobicContact CG1-CE2 4.07Å; I189-F211 HydrophobicContact CG1-CZ 4.35Å; I189-L242 HydrophobicContact CD1-CB 4.41Å; I189-L242 HydrophobicContact CD1-CD2 3.6Å
190G95.9Very high97.8Very high56 Ų5634.2 Ų34.258%0.57720%0.199SC*.SBendtrans-77.5-19.7-177.500000114.5P188P188-G190 PolarHBondContact O-N 2.94Å
191G97.4Very high97.9Very high26 Ų2639.6 Ų39.627%0.26822%0.222SC..SBendtrans153.7178.4-175.900000112.7P188 C193P188-G191 WeakPolarHBondContact CB-O 3.3Å; P188-G191 PolarHBondContact O-N 2.94Å; G191-C193 PolarHBondContact O-N 2.99Å; G191-C193 PolarHBondContact O-SG 3.24Å
192P98.6Very high98Very high65 Ų6546 Ų4642%0.42225%0.245SC..  trans-56.2133.8-179.7-22.332.8000112.3V208 L209 Q210 Q239P192-V208 HydrophobicContact CB-CG1 4.02Å; P192-L209 CarbonylContact C-O 3.44Å; P192-L209 WeakPolarHBondContact CA-O 3.47Å; P192-Q210 HydrophobicContact CB-CB 4.11Å; P192-Q210 HydrophobicContact CB-CG 4.36Å; P192-Q210 HydrophobicContact CG-CB 4.24Å; P192-Q210 HydrophobicContact CG-CG 3.93Å; P192-Q239 WeakPolarHBondContact O-CG 3.35Å
193C98.6Very high98.2Very high0 Ų041.8 Ų41.80%023%0.227CC..EExtended strand (participates in β ladder)trans-123.4123.5179.1-57.80000109.4P188 G191 T195 V208 L209 D238 Q239 L241P188-C193 HydrophobicContact CB-CB 4.37Å; G191-C193 PolarHBondContact O-N 2.99Å; G191-C193 PolarHBondContact O-SG 3.24Å; C193-T195 PolarHBondContact O-OG1 3.42Å; C193-V208 CarbonylContact O-C 3.58Å; C193-V208 WeakPolarHBondContact O-CA 3.31Å; C193-L209 PolarHBondContact N-O 2.98Å; C193-L209 PolarHBondContact O-N 3.33Å; C193-D238 WeakPolarHBondContact CA-OD1 3.46Å; C193-Q239 HydrophobicContact CB-CB 4.45Å; C193-L241 HydrophobicContact CB-CD1 4.22Å
194Q98.6Very high98.2Very high85 Ų8538.1 Ų38.140%0.39721%0.214SC..EExtended strand (participates in β ladder)trans-79.2121.3166.1-176.6162.950.800108.8N206 T237 D238Q194-N206 WeakPolarHBondContact CG-OD1 3.46Å; Q194-N206 PolarHBondContact NE2-ND2 3.44Å; Q194-N206 PolarHBondContact NE2-OD1 3.04Å; Q194-T237 WeakPolarHBondContact O-CA 3.49Å; Q194-D238 PolarHBondContact N-OD1 2.88Å; Q194-D238 PolarHBondContact O-N 3.07Å
195T98.6Very high98.2Very high1 Ų144.6 Ų44.61%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-133.2137.5-166.8-50.40000112.5L186 C193 T197 L204 N206 Q207 L209 V235 T236 L241L186-T195 HydrophobicContact CD1-CG2 4.47Å; C193-T195 PolarHBondContact O-OG1 3.42Å; T195-T197 HydrophobicContact CG2-CG2 3.89Å; T195-L204 HydrophobicContact CG2-CD1 3.67Å; T195-L204 WeakPolarHBondContact O-CB 3.42Å; T195-N206 WeakPolarHBondContact O-CA 3.39Å; T195-N206 PolarHBondContact O-N 2.95Å; T195-Q207 PolarHBondContact N-O 2.85Å; T195-Q207 PolarHBondContact O-N 2.83Å; T195-Q207 VanDerWaalsContact O-N 3.15Å; T195-L209 HydrophobicContact CG2-CD1 4.45Å; T195-V235 HydrophobicContact CG2-CG1 4.1Å; T195-T236 VanDerWaalsContact CA-O 3.28Å; T195-T236 WeakPolarHBondContact CA-O 3.44Å; T195-T236 WeakPolarHBondContact CG2-O 3.47Å; T195-L241 HydrophobicContact CG2-CD2 3.8Å
196V98.8Very high98.1Very high51 Ų5148.5 Ų48.531%0.30927%0.269SS..EExtended strand (participates in β ladder)trans-122135.7169.9-177.80000108.3L204 N206 T236V196-L204 CarbonylContact C-O 3.56Å; V196-L204 VanDerWaalsContact CA-O 3.3Å; V196-L204 WeakPolarHBondContact CA-O 3.26Å; V196-N206 HydrophobicContact CG2-CB 4.24Å; V196-T236 PolarHBondContact N-O 3.43Å; V196-T236 PolarHBondContact O-N 3.29Å
197T98.7Very high98Very high6 Ų652.4 Ų52.44%0.03729%0.287CS..EExtended strand (participates in β ladder)trans-135.6156.5177.866.90000113.6L186 T195 L200 N203 L204 T234 V235L186-T197 HydrophobicContact CD1-CG2 3.64Å; T195-T197 HydrophobicContact CG2-CG2 3.89Å; T197-L200 HydrophobicContact CG2-CD1 4.25Å; T197-N203 WeakPolarHBondContact O-CB 3.47Å; T197-N203 PolarHBondContact O-OD1 2.96Å; T197-N203 VanDerWaalsContact OG1-CA 3.28Å; T197-N203 WeakPolarHBondContact OG1-CA 3.43Å; T197-N203 PolarHBondContact OG1-OD1 3.4Å; T197-L204 HydrophobicContact CG2-CB 4.28Å; T197-L204 HydrophobicContact CG2-CD1 4.12Å; T197-L204 HydrophobicContact CG2-CG 4.31Å; T197-L204 PolarHBondContact N-O 2.93Å; T197-L204 PolarHBondContact OG1-N 3.34Å; T197-T234 CarbonylContact C-O 3.54Å; T197-T234 WeakPolarHBondContact CA-O 3.41Å; T197-T234 WeakPolarHBondContact CB-O 3.28Å; T197-V235 HydrophobicContact CG2-CG1 4.24Å; T197-V235 HydrophobicContact CG2-CG2 4.26Å
198T98.3Very high98Very high71 Ų7154.1 Ų54.144%0.43630%0.299SS..EExtended strand (participates in β ladder)trans-136159.7167.169.10000110L200 N203 V233 T234T198-L200 VanDerWaalsContact C-N 3.29Å; T198-L200 PolarHBondContact O-N 3.19Å; T198-N203 WeakPolarHBondContact CA-OD1 3.34Å; T198-N203 PolarHBondContact N-OD1 3.23Å; T198-V233 WeakPolarHBondContact O-CA 3.25Å; T198-T234 PolarHBondContact N-O 3.33Å; T198-T234 PolarHBondContact O-N 3Å; T198-T234 VanDerWaalsContact OG1-CB 3.32Å; T198-T234 WeakPolarHBondContact OG1-CB 3.3Å; T198-T234 PolarHBondContact OG1-OG1 3.38Å
199G97.3Very high98Very high7 Ų754 Ų547%0.07230%0.299CS..SBendtrans80.14.5178.700000114.8N203 E222G199-N203 PolarHBondContact N-OD1 2.75Å; G199-E222 WeakPolarHBondContact O-CB 3.34Å; G199-E222 PolarHBondContact O-N 3.06Å
200L98.4Very high98.1Very high2 Ų255 Ų551%0.0130%0.302CS..BIsolated β-bridgetrans-100.2157.2170.1-57.6179.5000110.9C184 L186 T197 T198 W202 N203 T220 V233 W243C184-L200 WeakPolarHBondContact SG-CD2 3.37Å; L186-L200 HydrophobicContact CD1-CD1 4.18Å; T197-L200 HydrophobicContact CG2-CD1 4.25Å; T198-L200 VanDerWaalsContact C-N 3.29Å; T198-L200 PolarHBondContact O-N 3.19Å; L200-W202 VanDerWaalsContact C-N 3.33Å; L200-N203 WeakPolarHBondContact CB-OD1 3.16Å; L200-N203 PolarHBondContact N-OD1 2.84Å; L200-N203 VanDerWaalsContact O-CG 3.3Å; L200-N203 PolarHBondContact O-ND2 2.91Å; L200-N203 PolarHBondContact O-OD1 2.84Å; L200-T220 CarbonylContact C-O 3.56Å; L200-T220 WeakPolarHBondContact CA-O 3.4Å; L200-V233 HydrophobicContact CD1-CG1 4.39Å; L200-V233 HydrophobicContact CD2-CB 4.42Å; L200-V233 HydrophobicContact CD2-CG1 3.81Å; L200-V233 HydrophobicContact CD2-CG2 3.65Å; L200-V233 HydrophobicContact CG-CG1 3.95Å; L200-V233 HydrophobicContact CG-CG2 4.38Å; L200-W243 HydrophobicContact CD2-CH2 4.41Å; L200-W243 HydrophobicContact CD2-CZ3 4.46Å
201K98.1Very high98.2Very high115 Ų11558.1 Ų58.150%0.530%0.3SS..SBendtrans-65.4-39.9171.8177.2174.6176.9-176.20111.3T220K201-T220 HydrophobicContact CB-CG2 3.46Å; K201-T220 VanDerWaalsContact CB-CG2 3.46Å; K201-T220 HydrophobicContact CD-CG2 3.4Å; K201-T220 VanDerWaalsContact CD-CG2 3.4Å; K201-T220 HydrophobicContact CG-CG2 4.07Å; K201-T220 PolarHBondContact N-O 2.83Å
202W98.4Very high98.2Very high139 Ų13961 Ų6153%0.52733%0.33SS..SBendtrans-112.883.9173.1-60.5-83.5000108.5L200 S218 N219 T220L200-W202 VanDerWaalsContact C-N 3.33Å; W202-S218 WeakPolarHBondContact CZ3-O 3.25Å; W202-N219 HydrophobicContact CE3-CB 4.39Å; W202-N219 PolarHBondContact N-OD1 2.78Å; W202-N219 PolarHBondContact O-ND2 3.08Å; W202-T220 HydrophobicContact CE3-CG2 4.44Å; W202-T220 HydrophobicContact CZ3-CG2 3.87Å
203N98.5Very high98.1Very high62 Ų6262.6 Ų62.633%0.33234%0.338SS..  trans-70.5151.2174.8-71.4-51.1000111.2T197 T198 G199 L200T197-N203 WeakPolarHBondContact O-CB 3.47Å; T197-N203 PolarHBondContact O-OD1 2.96Å; T197-N203 VanDerWaalsContact OG1-CA 3.28Å; T197-N203 WeakPolarHBondContact OG1-CA 3.43Å; T197-N203 PolarHBondContact OG1-OD1 3.4Å; T198-N203 WeakPolarHBondContact CA-OD1 3.34Å; T198-N203 PolarHBondContact N-OD1 3.23Å; G199-N203 PolarHBondContact N-OD1 2.75Å; L200-N203 WeakPolarHBondContact CB-OD1 3.16Å; L200-N203 PolarHBondContact N-OD1 2.84Å; L200-N203 VanDerWaalsContact O-CG 3.3Å; L200-N203 PolarHBondContact O-ND2 2.91Å; L200-N203 PolarHBondContact O-OD1 2.84Å
204L98.4Very high98.1Very high11 Ų1165.8 Ų65.86%0.05836%0.355CS..  trans-99.2131.1174.6-56.9173.1000108.9L186 T195 V196 T197 Q207 L209L186-L204 HydrophobicContact CD1-CD1 4.04Å; T195-L204 HydrophobicContact CG2-CD1 3.67Å; T195-L204 WeakPolarHBondContact O-CB 3.42Å; V196-L204 CarbonylContact C-O 3.56Å; V196-L204 VanDerWaalsContact CA-O 3.3Å; V196-L204 WeakPolarHBondContact CA-O 3.26Å; T197-L204 HydrophobicContact CG2-CB 4.28Å; T197-L204 HydrophobicContact CG2-CD1 4.12Å; T197-L204 HydrophobicContact CG2-CG 4.31Å; T197-L204 PolarHBondContact N-O 2.93Å; T197-L204 PolarHBondContact OG1-N 3.34Å; L204-Q207 HydrophobicContact CB-CB 4.46Å; L204-Q207 HydrophobicContact CD2-CB 4.26Å; L204-Q207 VanDerWaalsContact CD2-OE1 3.27Å; L204-L209 HydrophobicContact CD1-CD1 3.76Å; L204-L209 HydrophobicContact CD1-CD2 3.91Å; L204-L209 HydrophobicContact CD1-CG 3.93Å; L204-L209 HydrophobicContact CD2-CD2 4.33Å
205D97.9Very high98.1Very high136 Ų13663.4 Ų63.473%0.72735%0.346SS*.SBendtrans-115.386.6173.7-173.418.3000109.2Q207D205-Q207 VanDerWaalsContact C-N 3.26Å; D205-Q207 PolarHBondContact O-N 2.91Å
206N96.3Very high98.1Very high91 Ų9164 Ų6449%0.48735%0.35SS..SBendtrans57.235.6179.7-15939.6000114Q194 T195 V196Q194-N206 WeakPolarHBondContact CG-OD1 3.46Å; Q194-N206 PolarHBondContact NE2-ND2 3.44Å; Q194-N206 PolarHBondContact NE2-OD1 3.04Å; T195-N206 WeakPolarHBondContact O-CA 3.39Å; T195-N206 PolarHBondContact O-N 2.95Å; V196-N206 HydrophobicContact CG2-CB 4.24Å
207Q97.7Very high98.1Very high82 Ų8265.5 Ų65.538%0.38336%0.36SS..EExtended strand (participates in β ladder)trans-88.3150.3-178.7-66.1176.8-88.300111.1T195 L204 D205T195-Q207 PolarHBondContact N-O 2.85Å; T195-Q207 PolarHBondContact O-N 2.83Å; T195-Q207 VanDerWaalsContact O-N 3.15Å; L204-Q207 HydrophobicContact CB-CB 4.46Å; L204-Q207 HydrophobicContact CD2-CB 4.26Å; L204-Q207 VanDerWaalsContact CD2-OE1 3.27Å; D205-Q207 VanDerWaalsContact C-N 3.26Å; D205-Q207 PolarHBondContact O-N 2.91Å
208V98.5Very high98Very high70 Ų7069.8 Ų69.842%0.42439%0.39SS..EExtended strand (participates in β ladder)trans-90.3120.6174.3-179.80000109.6P192 C193 Q210P192-V208 HydrophobicContact CB-CG1 4.02Å; C193-V208 CarbonylContact O-C 3.58Å; C193-V208 WeakPolarHBondContact O-CA 3.31Å; V208-Q210 HydrophobicContact CG1-CB 4.39Å
209L98.8Very high98Very high0 Ų066.6 Ų66.60%037%0.37CS..EExtended strand (participates in β ladder)trans-88.8126166-61.7-178.7000109.2L186 P188 P192 C193 T195 L204 L214 L241L186-L209 HydrophobicContact CB-CD1 3.66Å; P188-L209 HydrophobicContact CB-CB 4.02Å; P188-L209 WeakPolarHBondContact CB-O 3.35Å; P188-L209 HydrophobicContact CG-CB 3.86Å; P192-L209 CarbonylContact C-O 3.44Å; P192-L209 WeakPolarHBondContact CA-O 3.47Å; C193-L209 PolarHBondContact N-O 2.98Å; C193-L209 PolarHBondContact O-N 3.33Å; T195-L209 HydrophobicContact CG2-CD1 4.45Å; L204-L209 HydrophobicContact CD1-CD1 3.76Å; L204-L209 HydrophobicContact CD1-CD2 3.91Å; L204-L209 HydrophobicContact CD1-CG 3.93Å; L204-L209 HydrophobicContact CD2-CD2 4.33Å; L209-L214 CarbonylContact C-O 3.55Å; L209-L214 VanDerWaalsContact CA-O 3.22Å; L209-L214 WeakPolarHBondContact CA-O 3.48Å; L209-L214 HydrophobicContact CD2-CB 4.49Å; L209-L214 HydrophobicContact CD2-CD2 3.95Å; L209-L214 HydrophobicContact CD2-CG 3.81Å; L209-L241 HydrophobicContact CD1-CD1 3.95Å; L209-L241 HydrophobicContact CD1-CD2 4.17Å
210Q98.6Very high98.1Very high78 Ų7868 Ų6836%0.36438%0.377SS..BIsolated β-bridgetrans-156.4141.7176.5170.6-176.918.900110.7P192 V208 G212 T213 L214P192-Q210 HydrophobicContact CB-CB 4.11Å; P192-Q210 HydrophobicContact CB-CG 4.36Å; P192-Q210 HydrophobicContact CG-CB 4.24Å; P192-Q210 HydrophobicContact CG-CG 3.93Å; V208-Q210 HydrophobicContact CG1-CB 4.39Å; Q210-G212 PolarHBondContact O-N 2.86Å; Q210-T213 WeakPolarHBondContact CB-OG1 3.38Å; Q210-T213 PolarHBondContact O-N 3.09Å; Q210-T213 PolarHBondContact O-OG1 3.29Å; Q210-L214 PolarHBondContact N-O 3.1Å; Q210-L214 CarbonylContact O-C 3.53Å; Q210-L214 PolarHBondContact O-N 3.14Å
211F98.4Very high98Very high123 Ų12368.3 Ų68.354%0.53938%0.378SS..THydrogen-bonded Turntrans-60.3134.6172.5-83.5-90.8000111.5I187 P188 I189 T213 V215I187-F211 HydrophobicContact CG2-CE2 3.74Å; I187-F211 HydrophobicContact CG2-CZ 3.51Å; P188-F211 HydrophobicContact CG-CD2 4.13Å; P188-F211 HydrophobicContact CG-CE2 4.33Å; P188-F211 WeakPolarHBondContact O-CD2 3.45Å; I189-F211 HydrophobicContact CG1-CE2 4.07Å; I189-F211 HydrophobicContact CG1-CZ 4.35Å; F211-T213 VanDerWaalsContact C-N 3.28Å; F211-V215 HydrophobicContact CD1-CG2 4.22Å; F211-V215 HydrophobicContact CD2-CG2 4.42Å; F211-V215 HydrophobicContact CE1-CG2 4.39Å; F211-V215 HydrophobicContact CG-CG2 4.24Å
212G97.5Very high97.9Very high87 Ų8766 Ų6690%0.89737%0.369SS*.THydrogen-bonded Turntrans85.2-6-173.400000114.4Q210Q210-G212 PolarHBondContact O-N 2.86Å
213T96.7Very high97.6Very high97 Ų9764.4 Ų64.460%0.59538%0.377SS*.THydrogen-bonded Turntrans-122.1-81.5173.264.70000110.6Q210 F211Q210-T213 WeakPolarHBondContact CB-OG1 3.38Å; Q210-T213 PolarHBondContact O-N 3.09Å; Q210-T213 PolarHBondContact O-OG1 3.29Å; F211-T213 VanDerWaalsContact C-N 3.28Å
214L98.1Very high97.3Very high67 Ų6764.1 Ų64.135%0.35138%0.377SS..BIsolated β-bridgetrans-135.4122.5-178.6-18063.6000110.1L209 Q210L209-L214 CarbonylContact C-O 3.55Å; L209-L214 VanDerWaalsContact CA-O 3.22Å; L209-L214 WeakPolarHBondContact CA-O 3.48Å; L209-L214 HydrophobicContact CD2-CB 4.49Å; L209-L214 HydrophobicContact CD2-CD2 3.95Å; L209-L214 HydrophobicContact CD2-CG 3.81Å; Q210-L214 PolarHBondContact N-O 3.1Å; Q210-L214 CarbonylContact O-C 3.53Å; Q210-L214 PolarHBondContact O-N 3.14Å
215V98.6Very high96.9Very high36 Ų3666.5 Ų66.522%0.21840%0.399CS..  trans-123.2125.5166.1-176.80000106.6I187 P188 F211 T217I187-V215 HydrophobicContact CB-CG1 4.31Å; I187-V215 HydrophobicContact CG1-CG1 4.25Å; I187-V215 HydrophobicContact CG2-CG1 4.01Å; P188-V215 HydrophobicContact CG-CG2 4.25Å; F211-V215 HydrophobicContact CD1-CG2 4.22Å; F211-V215 HydrophobicContact CD2-CG2 4.42Å; F211-V215 HydrophobicContact CE1-CG2 4.39Å; F211-V215 HydrophobicContact CG-CG2 4.24Å; V215-T217 HydrophobicContact CB-CG2 4.45Å; V215-T217 HydrophobicContact CG1-CG2 3.75Å; V215-T217 PolarHBondContact O-N 2.97Å
216S98.6Very high96.3Very high13 Ų1366.5 Ų66.59%0.09141%0.406CS..EExtended strand (participates in β ladder)trans-77.490.5178.6168.50000108.8S185 L186 N219S185-S216 CarbonylContact C-O 3.45Å; S185-S216 WeakPolarHBondContact CA-O 3.48Å; S185-S216 VanDerWaalsContact CB-O 3.3Å; S185-S216 WeakPolarHBondContact CB-O 3.26Å; L186-S216 PolarHBondContact N-O 2.73Å; L186-S216 PolarHBondContact O-N 2.61Å; S216-N219 PolarHBondContact OG-ND2 3.31Å
217T98.1Very high95.7Very high83 Ų8366.5 Ų66.551%0.50943%0.427SS..EExtended strand (participates in β ladder)trans-113.3155.1172.259.50000110.3V215 N219V215-T217 HydrophobicContact CB-CG2 4.45Å; V215-T217 HydrophobicContact CG1-CG2 3.75Å; V215-T217 PolarHBondContact O-N 2.97Å; T217-N219 PolarHBondContact O-N 3.12Å; T217-N219 VanDerWaalsContact O-N 3.13Å
218S97.4Very high95.3Very high95 Ų9565.4 Ų65.466%0.66443%0.429SS*.EExtended strand (participates in β ladder)trans54.529.2-175.4-50.50000113.2W202W202-S218 WeakPolarHBondContact CZ3-O 3.25Å
219N98.5Very high94.9Very high5 Ų566.1 Ų66.13%0.02744%0.435CS..EExtended strand (participates in β ladder)trans-72.6168.7168.1-154.7-30.5000108.2W183 C184 W202 S216 T217W183-N219 CarbonylContact C-O 3.6Å; W183-N219 VanDerWaalsContact CA-O 3.27Å; W183-N219 WeakPolarHBondContact CA-O 3.32Å; C184-N219 PolarHBondContact N-O 3.16Å; C184-N219 CarbonylContact O-C 3.55Å; C184-N219 WeakPolarHBondContact O-CA 3.43Å; C184-N219 VanDerWaalsContact O-CB 3.3Å; C184-N219 WeakPolarHBondContact O-CB 3.22Å; C184-N219 PolarHBondContact O-N 2.77Å; W202-N219 HydrophobicContact CE3-CB 4.39Å; W202-N219 PolarHBondContact N-OD1 2.78Å; W202-N219 PolarHBondContact O-ND2 3.08Å; S216-N219 PolarHBondContact OG-ND2 3.31Å; T217-N219 PolarHBondContact O-N 3.12Å; T217-N219 VanDerWaalsContact O-N 3.13Å
220T97.9Very high94.6Very high35 Ų3569.3 Ų69.322%0.21545%0.447CS..  trans-147176.5176.7-172.30000109.2E182 L200 K201 W202E182-T220 WeakPolarHBondContact O-CB 3.44Å; E182-T220 PolarHBondContact O-OG1 3.44Å; L200-T220 CarbonylContact C-O 3.56Å; L200-T220 WeakPolarHBondContact CA-O 3.4Å; K201-T220 HydrophobicContact CB-CG2 3.46Å; K201-T220 VanDerWaalsContact CB-CG2 3.46Å; K201-T220 HydrophobicContact CD-CG2 3.4Å; K201-T220 VanDerWaalsContact CD-CG2 3.4Å; K201-T220 HydrophobicContact CG-CG2 4.07Å; K201-T220 PolarHBondContact N-O 2.83Å; W202-T220 HydrophobicContact CE3-CG2 4.44Å; W202-T220 HydrophobicContact CZ3-CG2 3.87Å
221Y97.3Very high94.3Very high9 Ų971.5 Ų71.54%0.03546%0.456CS..BIsolated β-bridgetrans-79152.7-177.4-48.8-78.3000111.1V175 E180 G181 C184 V233 W243 M245V175-Y221 HydrophobicContact CB-CD1 4.16Å; V175-Y221 HydrophobicContact CB-CE1 3.86Å; V175-Y221 HydrophobicContact CG1-CD1 4.49Å; V175-Y221 HydrophobicContact CG1-CE1 3.87Å; V175-Y221 HydrophobicContact CG2-CD1 3.82Å; V175-Y221 HydrophobicContact CG2-CE1 4.03Å; E180-Y221 HydrophobicContact CB-CE2 4.47Å; G181-Y221 VanDerWaalsContact O-CE2 3.25Å; G181-Y221 WeakPolarHBondContact O-CE2 3.42Å; C184-Y221 HydrophobicContact CB-CE1 4.26Å; Y221-V233 HydrophobicContact CD1-CG2 4.02Å; Y221-V233 HydrophobicContact CE1-CG2 4.43Å; Y221-W243 HydrophobicContact CE1-CH2 4.25Å; Y221-W243 HydrophobicContact CE1-CZ2 4.43Å; Y221-M245 WeakPolarHBondContact OH-CE 3.45Å
222E96Very high94.3Very high66 Ų6666.7 Ų66.731%0.30844%0.436SS..PPolyproline II helixtrans-56.9127.8171.8179.8174.5-98.600109.6G199 T224 K231G199-E222 WeakPolarHBondContact O-CB 3.34Å; G199-E222 PolarHBondContact O-N 3.06Å; E222-T224 PolarHBondContact O-N 2.98Å; E222-K231 IonicContact OE2-NZ 2.93Å; E222-K231 PolarHBondContact OE2-NZ 3.32Å
223P92.7Very high94.3Very high106 Ų10662.5 Ų62.569%0.68839%0.394SS*.PPolyproline II helixtrans-61.4135.4176.7-22.232.7000111.6
224T90.8Very high94.4Very high56 Ų5659.4 Ų59.434%0.34438%0.375SS..  trans-110158.4172.459.60000110.9E222 S228E222-T224 PolarHBondContact O-N 2.98Å; T224-S228 PolarHBondContact OG1-O 3.4Å
225A90.2Very high94.4Very high61 Ų6156.2 Ų56.250%0.50436%0.358SS..  trans-59.6146.8172.700000110.1G227 S228A225-G227 PolarHBondContact O-N 3.44Å; A225-S228 VanDerWaalsContact O-CB 3.23Å; A225-S228 WeakPolarHBondContact O-CB 3.49Å; A225-S228 PolarHBondContact O-N 3.43Å; A225-S228 PolarHBondContact O-OG 3.06Å
226P86.1Confident94.4Very high137 Ų13756.9 Ų56.989%0.8936%0.362SS*.THydrogen-bonded Turntrans-49.7130.4178.1-28.435.1000112.2S228P226-S228 VanDerWaalsContact C-N 3.26Å; P226-S228 PolarHBondContact O-N 2.98Å
227G83.1Confident94.4Very high90 Ų9056.4 Ų56.493%0.92836%0.359SS*.THydrogen-bonded Turntrans78.8-2.1-177.700000115.5A225A225-G227 PolarHBondContact O-N 3.44Å
228S89.9Confident94.4Very high59 Ų5955.9 Ų55.941%0.41335%0.353SS..PPolyproline II helixtrans-91.9134.3174.5-59.10000111.1T224 A225 P226T224-S228 PolarHBondContact OG1-O 3.4Å; A225-S228 VanDerWaalsContact O-CB 3.23Å; A225-S228 WeakPolarHBondContact O-CB 3.49Å; A225-S228 PolarHBondContact O-N 3.43Å; A225-S228 PolarHBondContact O-OG 3.06Å; P226-S228 VanDerWaalsContact C-N 3.26Å; P226-S228 PolarHBondContact O-N 2.98Å
229P90.4Very high94.5Very high86 Ų8655.7 Ų55.756%0.55834%0.341SS*.PPolyproline II helixtrans-62.8147.9178.227.9-35000111.1N176N176-P229 WeakPolarHBondContact ND2-CB 3.11Å; N176-P229 WeakPolarHBondContact OD1-CA 3.32Å
230R92.3Very high94.5Very high66 Ų6656.7 Ų56.725%0.24935%0.348CS..PPolyproline II helixtrans-58.6139.9169.8-73.8177.1-179.4164.53109.4V175 N176 E180V175-R230 HydrophobicContact CG2-CB 4.43Å; V175-R230 VanDerWaalsContact O-CD 3.23Å; V175-R230 WeakPolarHBondContact O-CD 3.44Å; N176-R230 HydrophobicContact CB-CB 4.18Å; N176-R230 PolarHBondContact OD1-N 2.83Å; E180-R230 VanDerWaalsContact CB-NH1 3.25Å
231K92.6Very high94.5Very high125 Ų12555 Ų5554%0.54334%0.338SS..PPolyproline II helixtrans-72150.7167.1-64177.6-164.2150.50109E222E222-K231 IonicContact OE2-NZ 2.93Å; E222-K231 PolarHBondContact OE2-NZ 3.32Å
232P96.7Very high94.6Very high21 Ų2155 Ų5514%0.13634%0.339CS..PPolyproline II helixtrans-60146170.8-28.140.5000111.2E4 R172 L173E4-P232 HydrophobicContact CG-CB 4.41Å; E4-P232 HydrophobicContact CG-CG 4.29Å; E4-P232 WeakPolarHBondContact OE1-CG 3.42Å; E4-P232 WeakPolarHBondContact OE2-CG 3.47Å; R172-P232 HydrophobicContact CG-CB 4Å; L173-P232 CarbonylContact O-C 3.53Å; L173-P232 VanDerWaalsContact O-CA 3.26Å; L173-P232 WeakPolarHBondContact O-CA 3.28Å; L173-P232 WeakPolarHBondContact O-CB 3.17Å
233V98.5Very high94.7Very high0 Ų051.9 Ų51.90%032%0.324CS..EExtended strand (participates in β ladder)trans-85125.5172.7171.60000108L173 V175 T198 L200 Y221 V235 W243L173-V233 HydrophobicContact CB-CB 4.46Å; L173-V233 PolarHBondContact N-O 2.95Å; L173-V233 PolarHBondContact O-N 3.38Å; V175-V233 HydrophobicContact CG1-CG2 4.39Å; V175-V233 HydrophobicContact CG2-CG2 3.85Å; T198-V233 WeakPolarHBondContact O-CA 3.25Å; L200-V233 HydrophobicContact CD1-CG1 4.39Å; L200-V233 HydrophobicContact CD2-CB 4.42Å; L200-V233 HydrophobicContact CD2-CG1 3.81Å; L200-V233 HydrophobicContact CD2-CG2 3.65Å; L200-V233 HydrophobicContact CG-CG1 3.95Å; L200-V233 HydrophobicContact CG-CG2 4.38Å; Y221-V233 HydrophobicContact CD1-CG2 4.02Å; Y221-V233 HydrophobicContact CE1-CG2 4.43Å; V233-V235 HydrophobicContact CG1-CG2 3.89Å; V233-W243 HydrophobicContact CG1-CH2 4.24Å; V233-W243 HydrophobicContact CG1-CZ3 4.15Å; V233-W243 HydrophobicContact CG2-CH2 4.5Å
234T98.5Very high95Very high32 Ų3247.5 Ų47.520%0.19630%0.296CS..EExtended strand (participates in β ladder)trans-98134.5169.2-54.40000109.1I170 H171 T197 T198I170-T234 HydrophobicContact CG2-CG2 3.9Å; H171-T234 CarbonylContact O-C 3.54Å; H171-T234 VanDerWaalsContact O-CA 3.25Å; H171-T234 WeakPolarHBondContact O-CA 3.47Å; H171-T234 WeakPolarHBondContact O-CG2 3.31Å; T197-T234 CarbonylContact C-O 3.54Å; T197-T234 WeakPolarHBondContact CA-O 3.41Å; T197-T234 WeakPolarHBondContact CB-O 3.28Å; T198-T234 PolarHBondContact N-O 3.33Å; T198-T234 PolarHBondContact O-N 3Å; T198-T234 VanDerWaalsContact OG1-CB 3.32Å; T198-T234 WeakPolarHBondContact OG1-CB 3.3Å; T198-T234 PolarHBondContact OG1-OG1 3.38Å
235V98.7Very high95.4Very high0 Ų044.9 Ų44.90%028%0.279CS..EExtended strand (participates in β ladder)trans-128.1119.4173.4-174.90000108.5L166 H171 L173 L186 T195 T197 V233 L241L166-V235 HydrophobicContact CD1-CB 3.9Å; L166-V235 HydrophobicContact CD1-CG1 3.69Å; L166-V235 HydrophobicContact CD1-CG2 4.23Å; H171-V235 PolarHBondContact N-O 3.03Å; H171-V235 PolarHBondContact O-N 3.43Å; L173-V235 HydrophobicContact CD1-CG2 4.46Å; L186-V235 HydrophobicContact CD2-CG1 3.93Å; L186-V235 HydrophobicContact CD2-CG2 4.13Å; T195-V235 HydrophobicContact CG2-CG1 4.1Å; T197-V235 HydrophobicContact CG2-CG1 4.24Å; T197-V235 HydrophobicContact CG2-CG2 4.26Å; V233-V235 HydrophobicContact CG1-CG2 3.89Å; V235-L241 HydrophobicContact CG1-CD2 4.16Å
236T98.6Very high95.7Very high49 Ų4942 Ų4230%0.30126%0.255SS..EExtended strand (participates in β ladder)trans-107.1126.4168.4-56.10000108.3G169 I170 T195 V196G169-T236 VanDerWaalsContact O-CA 3.31Å; G169-T236 WeakPolarHBondContact O-CA 3.23Å; I170-T236 HydrophobicContact CG1-CG2 3.97Å; T195-T236 VanDerWaalsContact CA-O 3.28Å; T195-T236 WeakPolarHBondContact CA-O 3.44Å; T195-T236 WeakPolarHBondContact CG2-O 3.47Å; V196-T236 PolarHBondContact N-O 3.43Å; V196-T236 PolarHBondContact O-N 3.29Å
237T98.5Very high96.2Very high4 Ų435.9 Ų35.93%0.02522%0.216CC..EExtended strand (participates in β ladder)trans-139.4144.1179.8-175.30000110.6R167 P168 G169 Q194 Q239 L241R167-T237 WeakPolarHBondContact O-CG2 3.37Å; P168-T237 CarbonylContact C-O 3.55Å; P168-T237 WeakPolarHBondContact CA-O 3.1Å; G169-T237 PolarHBondContact N-O 2.91Å; G169-T237 PolarHBondContact O-N 3.43Å; Q194-T237 WeakPolarHBondContact O-CA 3.49Å; T237-Q239 VanDerWaalsContact CG2-O 3.23Å; T237-Q239 WeakPolarHBondContact CG2-O 3.33Å; T237-Q239 PolarHBondContact OG1-O 2.99Å; T237-L241 HydrophobicContact CG2-CB 4.02Å; T237-L241 HydrophobicContact CG2-CD2 4.49Å
238D98.4Very high96.4Very high72 Ų7235.6 Ų35.639%0.38519%0.19SC..SBendtrans-88.3-19.7177.468.2-28.2000113.4P168 C193 Q194P168-D238 WeakPolarHBondContact CB-O 3.35Å; C193-D238 WeakPolarHBondContact CA-OD1 3.46Å; Q194-D238 PolarHBondContact N-OD1 2.88Å; Q194-D238 PolarHBondContact O-N 3.07Å
239Q98.4Very high95.2Very high91 Ų9138.5 Ų38.543%0.42520%0.2SC..SBendtrans-126.3164.6178.5-62.7-56-37.200111.2P192 C193 T237 L241P192-Q239 WeakPolarHBondContact O-CG 3.35Å; C193-Q239 HydrophobicContact CB-CB 4.45Å; T237-Q239 VanDerWaalsContact CG2-O 3.23Å; T237-Q239 WeakPolarHBondContact CG2-O 3.33Å; T237-Q239 PolarHBondContact OG1-O 2.99Å; Q239-L241 PolarHBondContact O-N 2.85Å
240P98.5Very high93.6Very high26 Ų2639.5 Ų39.517%0.16920%0.196CC..  trans-57.5125.4173-23.633.8000112.2F144 L165 L166 P168F144-P240 HydrophobicContact CD1-CB 4.49Å; F144-P240 HydrophobicContact CE1-CB 3.79Å; F144-P240 HydrophobicContact CE1-CG 4.27Å; F144-P240 HydrophobicContact CZ-CB 4.36Å; L165-P240 HydrophobicContact CD1-CB 4.29Å; L165-P240 HydrophobicContact CD2-CB 4.33Å; L165-P240 HydrophobicContact CG-CB 4.31Å; L166-P240 VanDerWaalsContact O-CA 3.25Å; L166-P240 WeakPolarHBondContact O-CA 3.46Å; P168-P240 HydrophobicContact CG-CG 4.48Å
241L98.8Very high91.2Very high0 Ų044.6 Ų44.60%022%0.223CC..EExtended strand (participates in β ladder)trans-130.2123.8-172.9-177.660.9000109.9L166 L186 P188 C193 T195 L209 V235 T237 Q239 W243L166-L241 VanDerWaalsContact CB-O 3.26Å; L166-L241 WeakPolarHBondContact CB-O 3.5Å; L166-L241 WeakPolarHBondContact CG-O 3.34Å; L166-L241 PolarHBondContact N-O 2.89Å; L166-L241 PolarHBondContact O-N 2.81Å; L166-L241 VanDerWaalsContact O-N 3.09Å; L186-L241 HydrophobicContact CB-CD1 4.3Å; L186-L241 HydrophobicContact CB-CD2 4.13Å; L186-L241 HydrophobicContact CB-CG 4.3Å; L186-L241 HydrophobicContact CD2-CD2 3.79Å; L186-L241 HydrophobicContact CD2-CG 4.15Å; L186-L241 HydrophobicContact CG-CD2 4.41Å; P188-L241 HydrophobicContact CB-CD1 4.13Å; C193-L241 HydrophobicContact CB-CD1 4.22Å; T195-L241 HydrophobicContact CG2-CD2 3.8Å; L209-L241 HydrophobicContact CD1-CD1 3.95Å; L209-L241 HydrophobicContact CD1-CD2 4.17Å; V235-L241 HydrophobicContact CG1-CD2 4.16Å; T237-L241 HydrophobicContact CG2-CB 4.02Å; T237-L241 HydrophobicContact CG2-CD2 4.49Å; Q239-L241 PolarHBondContact O-N 2.85Å; L241-W243 PolarHBondContact O-N 2.74Å
242L98.8Very high88.4Confident9 Ų952 Ų525%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-77.4112.9-179.2-172.577.1000109.4L143 A163 L165 L186 I187 I189L143-L242 HydrophobicContact CD1-CD1 3.9Å; A163-L242 HydrophobicContact CB-CD1 4.32Å; L165-L242 HydrophobicContact CB-CD1 4.3Å; L165-L242 HydrophobicContact CD1-CB 4.11Å; L165-L242 HydrophobicContact CD1-CD1 4.18Å; L186-L242 CarbonylContact C-O 3.5Å; L186-L242 WeakPolarHBondContact CA-O 3.45Å; I187-L242 HydrophobicContact CB-CB 4.18Å; I187-L242 HydrophobicContact CB-CD2 4.49Å; I187-L242 HydrophobicContact CD1-CD2 4.35Å; I187-L242 PolarHBondContact N-O 3.01Å; I187-L242 WeakPolarHBondContact O-CB 3.3Å; I187-L242 PolarHBondContact O-N 2.84Å; I189-L242 HydrophobicContact CD1-CB 4.41Å; I189-L242 HydrophobicContact CD1-CD2 3.6Å
243W98.8Very high88Confident0 Ų053.5 Ų53.50%026%0.261CS..EExtended strand (participates in β ladder)trans-79.6131.6163.6169.7-98.5000109.2A163 Y164 L166 L173 V175 C184 L186 L200 Y221 V233 L241 M245A163-W243 WeakPolarHBondContact CA-O 3.18Å; Y164-W243 PolarHBondContact N-O 3.43Å; Y164-W243 PolarHBondContact O-N 2.97Å; L166-W243 HydrophobicContact CD1-CB 4.07Å; L166-W243 HydrophobicContact CD2-CB 4.24Å; L166-W243 HydrophobicContact CG-CB 3.95Å; L173-W243 HydrophobicContact CD1-CD2 3.66Å; L173-W243 HydrophobicContact CD1-CE3 3.98Å; L173-W243 HydrophobicContact CD1-CG 4Å; L173-W243 HydrophobicContact CD1-CH2 4.45Å; L173-W243 HydrophobicContact CD1-CZ2 4.17Å; L173-W243 HydrophobicContact CD1-CZ3 4.36Å; V175-W243 HydrophobicContact CG1-CZ2 4.35Å; C184-W243 HydrophobicContact CB-CH2 3.52Å; C184-W243 HydrophobicContact CB-CZ2 3.92Å; C184-W243 HydrophobicContact CB-CZ3 4Å; L186-W243 HydrophobicContact CD2-CE3 3.8Å; L186-W243 HydrophobicContact CD2-CZ3 4.46Å; L186-W243 HydrophobicContact CG-CE3 4.38Å; L200-W243 HydrophobicContact CD2-CH2 4.41Å; L200-W243 HydrophobicContact CD2-CZ3 4.46Å; Y221-W243 HydrophobicContact CE1-CH2 4.25Å; Y221-W243 HydrophobicContact CE1-CZ2 4.43Å; V233-W243 HydrophobicContact CG1-CH2 4.24Å; V233-W243 HydrophobicContact CG1-CZ3 4.15Å; V233-W243 HydrophobicContact CG2-CH2 4.5Å; L241-W243 PolarHBondContact O-N 2.74Å; W243-M245 HydrophobicContact CZ2-CB 3.9Å; W243-M245 HydrophobicContact CZ2-CG 4.48Å; W243-M245 HydrophobicContact CZ2-SD 4.08Å; W243-M245 PolarHBondContact NE1-SD 3.27Å
244S98.7Very high87.4Confident14 Ų1456.3 Ų56.310%0.09828%0.275CS..EExtended strand (participates in β ladder)trans-132.9145.2168.1-175.30000110.6L162 W183 C184 S185L162-S244 WeakPolarHBondContact O-CA 3.37Å; L162-S244 WeakPolarHBondContact O-CB 3.23Å; L162-S244 PolarHBondContact O-OG 2.88Å; W183-S244 WeakPolarHBondContact CH2-OG 3.3Å; C184-S244 CarbonylContact C-O 3.55Å; C184-S244 VanDerWaalsContact CA-O 3.23Å; C184-S244 WeakPolarHBondContact CA-O 3.17Å; C184-S244 WeakPolarHBondContact CB-O 3.41Å; S185-S244 PolarHBondContact N-O 2.8Å; S185-S244 PolarHBondContact O-N 3.24Å
245M98.6Very high86.8Confident0 Ų057.7 Ų57.70%028%0.279CS..EExtended strand (participates in β ladder)trans-144.5149.9-179.362.6-171.9-60.700111.7P7 L8 L162 V175 E180 C184 Y221 W243P7-M245 HydrophobicContact CB-SD 4.01Å; P7-M245 HydrophobicContact CG-SD 4.1Å; L8-M245 HydrophobicContact CD1-CE 3.85Å; L8-M245 HydrophobicContact CD2-CE 4.48Å; L8-M245 HydrophobicContact CD2-SD 4.29Å; L8-M245 HydrophobicContact CG-CE 3.97Å; L8-M245 HydrophobicContact CG-SD 4.3Å; L162-M245 HydrophobicContact CB-CG 3.92Å; L162-M245 HydrophobicContact CD2-CG 4.11Å; L162-M245 HydrophobicContact CD2-SD 4.34Å; L162-M245 HydrophobicContact CG-CG 4.49Å; L162-M245 PolarHBondContact N-O 3.43Å; L162-M245 PolarHBondContact O-N 2.81Å; L162-M245 VanDerWaalsContact O-N 3.08Å; V175-M245 HydrophobicContact CG1-CE 4.22Å; E180-M245 HydrophobicContact CB-CE 4.12Å; E180-M245 HydrophobicContact CG-CE 3.45Å; E180-M245 VanDerWaalsContact CG-CE 3.45Å; C184-M245 HydrophobicContact CB-CB 4.19Å; Y221-M245 WeakPolarHBondContact OH-CE 3.45Å; W243-M245 HydrophobicContact CZ2-CB 3.9Å; W243-M245 HydrophobicContact CZ2-CG 4.48Å; W243-M245 HydrophobicContact CZ2-SD 4.08Å; W243-M245 PolarHBondContact NE1-SD 3.27Å
246G97.7Very high86.1Confident0 Ų061.1 Ų61.10%030%0.295CS..EExtended strand (participates in β ladder)trans-73.1152.3172.800000112.1T160 G181 W183T160-G246 CarbonylContact O-C 3.47Å; T160-G246 VanDerWaalsContact O-CA 3.29Å; T160-G246 WeakPolarHBondContact O-CA 3.38Å; G181-G246 PolarHBondContact N-O 3.25Å; W183-G246 VanDerWaalsContact CE2-CA 3.46Å; W183-G246 PolarHBondContact O-N 3.29Å
247L95.6Very high85.3Confident10 Ų1061.8 Ų61.85%0.05230%0.295CS..EExtended strand (participates in β ladder)trans-113.1140.2168.4-55169.1000108.1L8 L11 I157 T160 L179 I249L8-L247 HydrophobicContact CD1-CD2 3.5Å; L8-L247 HydrophobicContact CD2-CD2 3.27Å; L8-L247 HydrophobicContact CG-CD2 4.04Å; L11-L247 HydrophobicContact CD1-CD1 4.28Å; L11-L247 HydrophobicContact CD1-CD2 4.02Å; I157-L247 HydrophobicContact CG2-CD1 3.81Å; T160-L247 PolarHBondContact O-N 3.15Å; L179-L247 CarbonylContact O-C 3.46Å; L179-L247 WeakPolarHBondContact O-CA 3.1Å; L247-I249 PolarHBondContact O-N 2.85Å
248H88.5Confident84.4Confident84 Ų8465.7 Ų65.739%0.38931%0.313SS..  trans-64.5125.6169.6-84.8-59.5000110.2L179 E180 H250L179-H248 PolarHBondContact O-N 2.84Å; E180-H248 PolarHBondContact O-CD2 2.84Å; E180-H248 PolarHBondContact O-NE2 3.34Å; H248-H250 PolarHBondContact O-N 2.74Å
249I64.7Low83.5Confident120 Ų12065.2 Ų65.262%0.61531%0.308SS*.  trans-71.4110.4160.1-52.6172.8000105.4T160 L247 E251T160-I249 HydrophobicContact CG2-CD1 3.59Å; T160-I249 HydrophobicContact CG2-CG1 3.17Å; L247-I249 PolarHBondContact O-N 2.85Å; I249-E251 HydrophobicContact CG2-CG 4.12Å; I249-E251 PolarHBondContact O-N 3.01Å
250H55.8Low82.3Confident106 Ų10663.2 Ų63.249%0.49130%0.299SS..  trans-72.390.5160.4-69.1-74.3000106.6K31 H248 K252K31-H250 PolarHBondContact NZ-CD2 3.37Å; H248-H250 PolarHBondContact O-N 2.74Å; H250-K252 PolarHBondContact O-N 3.29Å
251E42.8Very low81Confident173 Ų17366.3 Ų66.381%0.80831%0.31SS*.  trans-55.7128.7160.8-70.7-173.9157.300107.2I249I249-E251 HydrophobicContact CG2-CG 4.12Å; I249-E251 PolarHBondContact O-N 3.01Å
252K32.7Very low79.3Confident280 Ų28072.4 Ų72.4100%1.21734%0.338SS*.  trans-65.50175.7-83.5-177.5174.1178.70110.9H250H250-K252 PolarHBondContact O-N 3.29Å

Retrieved 252 of 252 residues in 149.2 ms (Link to these results)

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