A0A077ZDH6_TRITR Loading...

Alkylated DNA repair protein alkB-like protein 1

AlphaFold DB , UniProt , Accession A0A077ZDH6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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
1M42.2Very low81.3Confident228 Ų22897.1 Ų97.1100%1.12350%0.497SS*.  0130.20-69-177.9-74.700107.5L3M1-L3 PolarHBondContact O-N 3.15Å
2P50.7Low82.7Confident123 Ų12390.2 Ų90.280%0.79946%0.461SS*.PPolyproline II helixtrans-57.3134.5165.925.7-30.7000107.7E4P2-E4 PolarHBondContact O-N 3.39Å; P2-E4 VanDerWaalsContact O-N 3.07Å
3L61.5Low83.8Confident157 Ų15790.3 Ų90.382%0.82246%0.456SS*.PPolyproline II helixtrans-48.3118.9174.9-76.2153.9000108M1 E5M1-L3 PolarHBondContact O-N 3.15Å; L3-E5 PolarHBondContact O-N 3.22Å
4E70.4Confident84.8Confident184 Ų18489.7 Ų89.786%0.8645%0.451SS*.PPolyproline II helixtrans-50.4127.8174.7-76.9179.5164.400108.8P2 N6P2-E4 PolarHBondContact O-N 3.39Å; P2-E4 VanDerWaalsContact O-N 3.07Å; E4-N6 PolarHBondContact O-N 3.35Å; E4-N6 VanDerWaalsContact O-N 3.15Å
5E86.8Confident85.7Confident99 Ų9985.3 Ų85.346%0.46343%0.427SS..  trans-77.8102.8-175.2179.4153.3-152.700109.1L3 T10 K13L3-E5 PolarHBondContact O-N 3.22Å; E5-T10 WeakPolarHBondContact CG-OG1 3.27Å; E5-K13 WeakPolarHBondContact OE1-CD 3.32Å; E5-K13 VanDerWaalsContact OE1-CE 3.25Å; E5-K13 WeakPolarHBondContact OE1-CE 3.5Å; E5-K13 IonicContact OE1-NZ 2.57Å; E5-K13 PolarHBondContact OE1-NZ 3.07Å; E5-K13 IonicContact OE2-NZ 3.32Å; E5-K13 PolarHBondContact OE2-NZ 3.21Å
6N95Very high86.5Confident22 Ų2287 Ų8712%0.11843%0.431CS..  trans-74.2155.5176.360.363.2000112.2E4 F8 R9 T10 K216 E217E4-N6 PolarHBondContact O-N 3.35Å; E4-N6 VanDerWaalsContact O-N 3.15Å; N6-F8 VanDerWaalsContact C-N 3.27Å; N6-F8 PolarHBondContact O-N 3.13Å; N6-F8 VanDerWaalsContact O-N 3.17Å; N6-F8 PolarHBondContact OD1-N 3.4Å; N6-R9 PolarHBondContact O-N 2.87Å; N6-R9 WeakPolarHBondContact OD1-CB 3.44Å; N6-R9 PolarHBondContact OD1-N 3.33Å; N6-T10 PolarHBondContact O-N 3.27Å; N6-T10 VanDerWaalsContact O-N 3.12Å; N6-T10 PolarHBondContact O-OG1 3.46Å; N6-K216 HydrophobicContact CB-CB 4.25Å; N6-K216 WeakPolarHBondContact CB-O 3.11Å; N6-K216 VanDerWaalsContact CG-CB 3.5Å; N6-K216 PolarHBondContact OD1-O 3.43Å; N6-E217 VanDerWaalsContact CB-OE1 3.31Å; N6-E217 WeakPolarHBondContact CB-OE1 3.33Å
7P97.1Very high87.1Confident43 Ų4386.9 Ų86.928%0.27945%0.447SS..Hα-helixtrans-45.8-44.1176.7-33.436.8000114.8R9 T10 V11 E217 E219P7-R9 PolarHBondContact O-N 3.37Å; P7-T10 WeakPolarHBondContact O-CB 3.44Å; P7-T10 PolarHBondContact O-N 3.3Å; P7-V11 PolarHBondContact O-N 3.26Å; P7-V11 VanDerWaalsContact O-N 3.1Å; P7-E217 VanDerWaalsContact CD-OE2 3.31Å; P7-E217 WeakPolarHBondContact CD-OE2 3.45Å; P7-E217 WeakPolarHBondContact CG-O 3.31Å; P7-E219 HydrophobicContact CB-CB 4.25Å
8F97.8Very high87.6Confident0 Ų083.2 Ų83.20%043%0.428CS..Hα-helixtrans-60.8-46.1179.4-161.8-61.9000112.2N6 T10 V11 F12 P185 L210 K216 P220 Y241 A243N6-F8 VanDerWaalsContact C-N 3.27Å; N6-F8 PolarHBondContact O-N 3.13Å; N6-F8 VanDerWaalsContact O-N 3.17Å; N6-F8 PolarHBondContact OD1-N 3.4Å; F8-T10 VanDerWaalsContact C-N 3.31Å; F8-T10 PolarHBondContact O-N 3.12Å; F8-V11 PolarHBondContact O-N 3.42Å; F8-F12 WeakPolarHBondContact O-CB 3.37Å; F8-F12 PolarHBondContact O-N 3.07Å; F8-P185 HydrophobicContact CD1-CB 3.78Å; F8-P185 HydrophobicContact CD1-CG 3.61Å; F8-P185 HydrophobicContact CE1-CB 3.67Å; F8-P185 HydrophobicContact CE1-CG 3.58Å; F8-P185 HydrophobicContact CZ-CB 4.36Å; F8-L210 HydrophobicContact CE1-CB 4.25Å; F8-L210 HydrophobicContact CE1-CD1 4.39Å; F8-L210 HydrophobicContact CZ-CB 3.98Å; F8-K216 HydrophobicContact CB-CB 4.16Å; F8-K216 VanDerWaalsContact CB-O 3.27Å; F8-K216 WeakPolarHBondContact CB-O 3.17Å; F8-K216 PolarHBondContact N-O 3.11Å; F8-K216 VanDerWaalsContact N-O 3.13Å; F8-P220 HydrophobicContact CB-CG 4.43Å; F8-P220 HydrophobicContact CD1-CG 4.14Å; F8-P220 HydrophobicContact CD2-CB 3.78Å; F8-P220 HydrophobicContact CD2-CG 3.81Å; F8-P220 HydrophobicContact CE1-CB 4.48Å; F8-P220 HydrophobicContact CE1-CG 4.25Å; F8-P220 HydrophobicContact CE2-CB 3.57Å; F8-P220 HydrophobicContact CE2-CG 3.99Å; F8-P220 HydrophobicContact CG-CB 4.36Å; F8-P220 HydrophobicContact CG-CG 3.88Å; F8-P220 HydrophobicContact CZ-CB 3.93Å; F8-P220 HydrophobicContact CZ-CG 4.18Å; F8-Y241 WeakPolarHBondContact CE2-O 3.31Å; F8-A243 HydrophobicContact CE1-CB 3.76Å; F8-A243 HydrophobicContact CZ-CB 4.06Å
9R96.7Very high88Confident124 Ų12482.2 Ų82.247%0.46843%0.427SS..Hα-helixtrans-66.8-34.8-178.7-170.1166.9176.198.2-5.2111.6N6 P7 F12 K13N6-R9 PolarHBondContact O-N 2.87Å; N6-R9 WeakPolarHBondContact OD1-CB 3.44Å; N6-R9 PolarHBondContact OD1-N 3.33Å; P7-R9 PolarHBondContact O-N 3.37Å; R9-F12 PolarHBondContact O-N 2.68Å; R9-K13 WeakPolarHBondContact O-CG 3.25Å; R9-K13 PolarHBondContact O-N 3.2Å
10T97.7Very high88.2Confident69 Ų6980 Ų8042%0.42342%0.421SS..Hα-helixtrans-59.3-53.5172.9-54.40000110.9E5 N6 P7 F8 F12 K13 H14E5-T10 WeakPolarHBondContact CG-OG1 3.27Å; N6-T10 PolarHBondContact O-N 3.27Å; N6-T10 VanDerWaalsContact O-N 3.12Å; N6-T10 PolarHBondContact O-OG1 3.46Å; P7-T10 WeakPolarHBondContact O-CB 3.44Å; P7-T10 PolarHBondContact O-N 3.3Å; F8-T10 VanDerWaalsContact C-N 3.31Å; F8-T10 PolarHBondContact O-N 3.12Å; T10-F12 VanDerWaalsContact C-N 3.33Å; T10-F12 PolarHBondContact O-N 3.44Å; T10-K13 PolarHBondContact O-N 2.91Å; T10-H14 PolarHBondContact O-N 2.85Å
11V98.1Very high88.5Confident19 Ų1981.4 Ų81.412%0.11543%0.434CS..Hα-helixtrans-63.6-38.8179.5177.90000111.5P7 F8 K13 H14 Y15 L210 E219 P220P7-V11 PolarHBondContact O-N 3.26Å; P7-V11 VanDerWaalsContact O-N 3.1Å; F8-V11 PolarHBondContact O-N 3.42Å; V11-K13 PolarHBondContact O-N 3.02Å; V11-H14 WeakPolarHBondContact O-CB 3.44Å; V11-H14 PolarHBondContact O-N 3.17Å; V11-Y15 HydrophobicContact CG1-CD2 3.6Å; V11-Y15 HydrophobicContact CG1-CE2 3.63Å; V11-Y15 WeakPolarHBondContact O-CD2 3.36Å; V11-Y15 PolarHBondContact O-N 3.1Å; V11-L210 HydrophobicContact CG1-CD1 4.21Å; V11-L210 HydrophobicContact CG1-CD2 4.26Å; V11-E219 HydrophobicContact CG2-CG 3.72Å; V11-P220 HydrophobicContact CB-CG 3.75Å; V11-P220 HydrophobicContact CG1-CG 3.79Å; V11-P220 HydrophobicContact CG2-CG 4.28Å
12F98.2Very high91.1Very high14 Ų1475.2 Ų75.26%0.06140%0.402CS..Hα-helixtrans-58.6-46.8175.2178.9-89.4000112.6F8 R9 T10 H14 K16 T182 F183 P185 L210 A243 P245F8-F12 WeakPolarHBondContact O-CB 3.37Å; F8-F12 PolarHBondContact O-N 3.07Å; R9-F12 PolarHBondContact O-N 2.68Å; T10-F12 VanDerWaalsContact C-N 3.33Å; T10-F12 PolarHBondContact O-N 3.44Å; F12-H14 VanDerWaalsContact C-N 3.35Å; F12-K16 HydrophobicContact CE1-CD 4.06Å; F12-K16 VanDerWaalsContact O-CB 3.25Å; F12-K16 WeakPolarHBondContact O-CB 3.32Å; F12-K16 PolarHBondContact O-N 3.19Å; F12-K16 VanDerWaalsContact O-N 3.09Å; F12-T182 WeakPolarHBondContact CZ-OG1 3.49Å; F12-F183 WeakPolarHBondContact CE2-O 3.41Å; F12-P185 HydrophobicContact CD2-CG 4.18Å; F12-P185 HydrophobicContact CG-CG 4.31Å; F12-L210 HydrophobicContact CB-CD1 4.05Å; F12-L210 HydrophobicContact CD2-CD1 4.21Å; F12-A243 HydrophobicContact CD2-CB 3.67Å; F12-A243 HydrophobicContact CE2-CB 3.86Å; F12-P245 HydrophobicContact CD2-CB 3.91Å; F12-P245 HydrophobicContact CE2-CB 3.91Å; F12-P245 HydrophobicContact CG-CB 4.49Å; F12-P245 HydrophobicContact CZ-CB 4.48Å
13K97.5Very high93.3Very high92 Ų9269.3 Ų69.340%0.436%0.364SS..Hα-helixtrans-64.6-40.7177.4-72.6179.9-171.3168.60111.5E5 R9 T10 V11 K16 A17E5-K13 WeakPolarHBondContact OE1-CD 3.32Å; E5-K13 VanDerWaalsContact OE1-CE 3.25Å; E5-K13 WeakPolarHBondContact OE1-CE 3.5Å; E5-K13 IonicContact OE1-NZ 2.57Å; E5-K13 PolarHBondContact OE1-NZ 3.07Å; E5-K13 IonicContact OE2-NZ 3.32Å; E5-K13 PolarHBondContact OE2-NZ 3.21Å; R9-K13 WeakPolarHBondContact O-CG 3.25Å; R9-K13 PolarHBondContact O-N 3.2Å; T10-K13 PolarHBondContact O-N 2.91Å; V11-K13 PolarHBondContact O-N 3.02Å; K13-K16 PolarHBondContact O-N 2.89Å; K13-A17 WeakPolarHBondContact O-CB 3.46Å; K13-A17 PolarHBondContact O-N 2.8Å
14H97.9Very high94.9Very high82 Ų8263 Ų6338%0.3833%0.33SS..Hα-helixtrans-54.9-60.8176.5178.264.8000111.4T10 V11 F12 K16 A17 L18 E26T10-H14 PolarHBondContact O-N 2.85Å; V11-H14 WeakPolarHBondContact O-CB 3.44Å; V11-H14 PolarHBondContact O-N 3.17Å; F12-H14 VanDerWaalsContact C-N 3.35Å; H14-K16 VanDerWaalsContact C-N 3.27Å; H14-K16 PolarHBondContact O-N 2.9Å; H14-A17 PolarHBondContact O-N 3.46Å; H14-L18 PolarHBondContact O-N 3.4Å; H14-L18 VanDerWaalsContact O-N 3.11Å; H14-E26 IonicContact CD2-OE2 2.68Å; H14-E26 IonicContact CE1-OE2 2.87Å; H14-E26 IonicContact NE2-OE2 3.07Å; H14-E26 PolarHBondContact NE2-OE2 3.46Å
15Y98.2Very high96Very high23 Ų2358.3 Ų58.39%0.0932%0.323CS..Hα-helixtrans-63.9-30.7-179-80.7-78.7000113.7V11 A17 L18 A23 E26 S27 I208 L210 A222 R246V11-Y15 HydrophobicContact CG1-CD2 3.6Å; V11-Y15 HydrophobicContact CG1-CE2 3.63Å; V11-Y15 WeakPolarHBondContact O-CD2 3.36Å; V11-Y15 PolarHBondContact O-N 3.1Å; Y15-A17 VanDerWaalsContact C-N 3.3Å; Y15-L18 HydrophobicContact CD1-CD1 3.99Å; Y15-L18 HydrophobicContact CE1-CD1 4.29Å; Y15-A23 HydrophobicContact CD1-CB 4.25Å; Y15-E26 HydrophobicContact CE1-CB 4.06Å; Y15-E26 PolarHBondContact OH-O 3.3Å; Y15-S27 VanDerWaalsContact CE1-OG 3.3Å; Y15-S27 WeakPolarHBondContact CE1-OG 3.5Å; Y15-I208 HydrophobicContact CD1-CG2 3.78Å; Y15-I208 HydrophobicContact CE1-CG2 4.27Å; Y15-I208 HydrophobicContact CG-CG2 4.08Å; Y15-L210 HydrophobicContact CD2-CD2 3.86Å; Y15-L210 HydrophobicContact CE2-CD2 4.17Å; Y15-L210 HydrophobicContact CG-CD2 4.41Å; Y15-A222 HydrophobicContact CD2-CB 4.22Å; Y15-A222 HydrophobicContact CE1-CB 3.86Å; Y15-A222 HydrophobicContact CE2-CB 3.47Å; Y15-A222 VanDerWaalsContact CE2-CB 3.47Å; Y15-A222 VanDerWaalsContact OH-CB 3.26Å; Y15-A222 WeakPolarHBondContact OH-CB 3.37Å; Y15-R246 WeakPolarHBondContact O-CD 3.23Å; Y15-R246 PolarHBondContact O-NH1 3.43Å
16K97.3Very high96.4Very high113 Ų11357.8 Ų57.849%0.49132%0.321SS..Hα-helixtrans-65.7-33.7174.2-176.2174.3179.5177.10112.1F12 K13 H14 P245F12-K16 HydrophobicContact CE1-CD 4.06Å; F12-K16 VanDerWaalsContact O-CB 3.25Å; F12-K16 WeakPolarHBondContact O-CB 3.32Å; F12-K16 PolarHBondContact O-N 3.19Å; F12-K16 VanDerWaalsContact O-N 3.09Å; K13-K16 PolarHBondContact O-N 2.89Å; H14-K16 VanDerWaalsContact C-N 3.27Å; H14-K16 PolarHBondContact O-N 2.9Å; K16-P245 HydrophobicContact CB-CB 4.05Å
17A96.9Very high96.5Very high85 Ų8557.2 Ų57.270%0.70232%0.319SS*.Hα-helixtrans-87.2-23.4-17700000114.1K13 H14 Y15K13-A17 WeakPolarHBondContact O-CB 3.46Å; K13-A17 PolarHBondContact O-N 2.8Å; H14-A17 PolarHBondContact O-N 3.46Å; Y15-A17 VanDerWaalsContact C-N 3.3Å
18L96.1Very high96.4Very high21 Ų2158.2 Ų58.211%0.1132%0.318CS..SBendtrans-57.4158.8-177.6-76.6177.5000113.4H14 Y15 Q22 A23 E26 R246H14-L18 PolarHBondContact O-N 3.4Å; H14-L18 VanDerWaalsContact O-N 3.11Å; Y15-L18 HydrophobicContact CD1-CD1 3.99Å; Y15-L18 HydrophobicContact CE1-CD1 4.29Å; L18-Q22 HydrophobicContact CD2-CB 4.35Å; L18-A23 HydrophobicContact CB-CB 4.02Å; L18-A23 HydrophobicContact CD1-CB 4.16Å; L18-E26 WeakPolarHBondContact CD1-OE2 3.39Å; L18-R246 VanDerWaalsContact C-NH1 3.34Å; L18-R246 VanDerWaalsContact O-CZ 3.27Å; L18-R246 PolarHBondContact O-NH1 3.35Å; L18-R246 PolarHBondContact O-NH2 3.07Å
19P95.3Very high96.2Very high64 Ų6458.5 Ų58.542%0.41632%0.32SS..  trans-62.6150.4156.2-23.235000111.5T21 Q22 A23P19-T21 PolarHBondContact O-N 3.05Å; P19-Q22 HydrophobicContact CB-CB 4.35Å; P19-Q22 HydrophobicContact CB-CG 4.22Å; P19-Q22 HydrophobicContact CG-CG 4.26Å; P19-Q22 PolarHBondContact O-N 3.36Å; P19-A23 WeakPolarHBondContact O-CB 3.33Å; P19-A23 PolarHBondContact O-N 3.28Å
20A93.3Very high95.8Very high37 Ų3753.3 Ų53.331%0.30630%0.302SS..Hα-helixtrans-53.9-47.9-178.400000113.5A23 I24 V248A20-A23 PolarHBondContact O-N 3.46Å; A20-I24 PolarHBondContact O-N 2.76Å; A20-I24 VanDerWaalsContact O-N 3.16Å; A20-V248 HydrophobicContact CB-CG1 3.73Å
21T93.8Very high95Very high111 Ų11153.3 Ų53.368%0.68131%0.305SS*.Hα-helixtrans-65.2-39.3-179.6490000112.3P19 A25P19-T21 PolarHBondContact O-N 3.05Å; T21-A25 WeakPolarHBondContact O-CB 3.44Å; T21-A25 PolarHBondContact O-N 3.02Å
22Q96.4Very high94Very high97 Ų9758.4 Ų58.445%0.45333%0.327SS..Hα-helixtrans-68.7-41.7176.5-67.2-178.64.100111.4L18 P19 I24 A25 E26L18-Q22 HydrophobicContact CD2-CB 4.35Å; P19-Q22 HydrophobicContact CB-CB 4.35Å; P19-Q22 HydrophobicContact CB-CG 4.22Å; P19-Q22 HydrophobicContact CG-CG 4.26Å; P19-Q22 PolarHBondContact O-N 3.36Å; Q22-I24 VanDerWaalsContact C-N 3.29Å; Q22-I24 PolarHBondContact O-N 3.03Å; Q22-A25 PolarHBondContact O-N 3.04Å; Q22-A25 VanDerWaalsContact O-N 3.15Å; Q22-E26 WeakPolarHBondContact O-CB 3.43Å; Q22-E26 WeakPolarHBondContact O-CG 3.43Å; Q22-E26 PolarHBondContact O-N 3.39Å
23A96.9Very high92.6Very high0 Ų062.6 Ų62.60%036%0.356CS..Hα-helixtrans-60.6-38.2177.600000112.6Y15 L18 P19 A20 S27 I208Y15-A23 HydrophobicContact CD1-CB 4.25Å; L18-A23 HydrophobicContact CB-CB 4.02Å; L18-A23 HydrophobicContact CD1-CB 4.16Å; P19-A23 WeakPolarHBondContact O-CB 3.33Å; P19-A23 PolarHBondContact O-N 3.28Å; A20-A23 PolarHBondContact O-N 3.46Å; A23-S27 VanDerWaalsContact O-CB 3.31Å; A23-S27 WeakPolarHBondContact O-CB 3.34Å; A23-S27 PolarHBondContact O-N 3.31Å; A23-S27 PolarHBondContact O-OG 3.15Å; A23-I208 HydrophobicContact CB-CD1 4.37Å; A23-I208 HydrophobicContact CB-CG1 4.06Å
24I95.5Very high91.5Very high24 Ų2463 Ų6312%0.12336%0.362CS..Hα-helixtrans-67.3-49.2172.2-72.4179.5000110.7A20 Q22 E26 S27 I208 V224 V248 D250A20-I24 PolarHBondContact O-N 2.76Å; A20-I24 VanDerWaalsContact O-N 3.16Å; Q22-I24 VanDerWaalsContact C-N 3.29Å; Q22-I24 PolarHBondContact O-N 3.03Å; I24-E26 VanDerWaalsContact C-N 3.28Å; I24-E26 PolarHBondContact O-N 3.25Å; I24-S27 PolarHBondContact O-N 2.69Å; I24-I208 HydrophobicContact CG1-CD1 4.24Å; I24-V224 HydrophobicContact CG2-CG2 4.34Å; I24-V248 HydrophobicContact CD1-CB 4.2Å; I24-V248 HydrophobicContact CD1-CG1 3.48Å; I24-V248 VanDerWaalsContact CD1-CG1 3.48Å; I24-V248 HydrophobicContact CG1-CB 4.48Å; I24-V248 HydrophobicContact CG1-CG1 4Å; I24-V248 HydrophobicContact CG1-CG2 4.47Å; I24-D250 HydrophobicContact CD1-CB 4.03Å; I24-D250 VanDerWaalsContact CD1-OD1 3.24Å; I24-D250 WeakPolarHBondContact CD1-OD1 3.39Å
25A94.3Very high90.6Very high86 Ų8666.9 Ų66.971%0.71139%0.385SS*.Hα-helixtrans-61.9-33.1-177.300000113.5T21 Q22T21-A25 WeakPolarHBondContact O-CB 3.44Å; T21-A25 PolarHBondContact O-N 3.02Å; Q22-A25 PolarHBondContact O-N 3.04Å; Q22-A25 VanDerWaalsContact O-N 3.15Å
26E95.3Very high89.9Confident87 Ų8768.6 Ų68.641%0.40741%0.41SS..THydrogen-bonded Turntrans-83.1-13.1176-70.8-177.7-146.700113.5H14 Y15 L18 Q22 I24H14-E26 IonicContact CD2-OE2 2.68Å; H14-E26 IonicContact CE1-OE2 2.87Å; H14-E26 IonicContact NE2-OE2 3.07Å; H14-E26 PolarHBondContact NE2-OE2 3.46Å; Y15-E26 HydrophobicContact CE1-CB 4.06Å; Y15-E26 PolarHBondContact OH-O 3.3Å; L18-E26 WeakPolarHBondContact CD1-OE2 3.39Å; Q22-E26 WeakPolarHBondContact O-CB 3.43Å; Q22-E26 WeakPolarHBondContact O-CG 3.43Å; Q22-E26 PolarHBondContact O-N 3.39Å; I24-E26 VanDerWaalsContact C-N 3.28Å; I24-E26 PolarHBondContact O-N 3.25Å
27S96.1Very high89.6Confident11 Ų1164 Ų648%0.07739%0.391CS..SBendtrans-89.8153.4-179.8-66.50000111.2Y15 A23 I24Y15-S27 VanDerWaalsContact CE1-OG 3.3Å; Y15-S27 WeakPolarHBondContact CE1-OG 3.5Å; A23-S27 VanDerWaalsContact O-CB 3.31Å; A23-S27 WeakPolarHBondContact O-CB 3.34Å; A23-S27 PolarHBondContact O-N 3.31Å; A23-S27 PolarHBondContact O-OG 3.15Å; I24-S27 PolarHBondContact O-N 2.69Å
28K95.1Very high89.5Confident63 Ų6361.4 Ų61.427%0.27436%0.364SS..BIsolated β-bridgetrans-89.7144.5-177.5-47.3-177.7-166167.70110.7V37 F38 T221 A222 L223 V224K28-V37 HydrophobicContact CB-CG1 4.01Å; K28-V37 HydrophobicContact CD-CB 4.36Å; K28-V37 HydrophobicContact CD-CG1 3.39Å; K28-V37 HydrophobicContact CD-CG2 4Å; K28-V37 HydrophobicContact CG-CG1 4.26Å; K28-F38 HydrophobicContact CB-CE2 3.95Å; K28-F38 HydrophobicContact CB-CZ 4.03Å; K28-T221 HydrophobicContact CD-CG2 3.79Å; K28-T221 PolarHBondContact NZ-OG1 3.43Å; K28-A222 PolarHBondContact N-O 3.32Å; K28-L223 HydrophobicContact CB-CD2 4.16Å; K28-L223 WeakPolarHBondContact O-CA 3.24Å; K28-V224 PolarHBondContact O-N 2.59Å
29E93.3Very high89.4Confident7 Ų762.5 Ų62.53%0.03338%0.376CS..  trans-155.7152.6172.161.3167.4-37.100113.4S31 H32 R82 R226E29-S31 VanDerWaalsContact C-N 3.33Å; E29-S31 VanDerWaalsContact CD-OG 3.31Å; E29-S31 PolarHBondContact O-N 3.26Å; E29-S31 PolarHBondContact OE1-OG 3.22Å; E29-H32 HydrophobicContact CG-CB 4.2Å; E29-H32 CarbonylContact O-C 3.49Å; E29-H32 PolarHBondContact O-N 3.24Å; E29-H32 IonicContact OE2-CE1 2.8Å; E29-H32 PolarHBondContact OE2-CE1 3.23Å; E29-H32 IonicContact OE2-ND1 3.7Å; E29-H32 PolarHBondContact OE2-ND1 3.16Å; E29-R82 IonicContact OE1-CZ 3.6Å; E29-R82 IonicContact OE1-NH1 3.84Å; E29-R82 IonicContact OE1-NH2 3.5Å; E29-R82 PolarHBondContact OE1-NH2 3.39Å; E29-R226 VanDerWaalsContact CD-NH1 3.29Å; E29-R226 IonicContact OE1-CZ 3.32Å; E29-R226 VanDerWaalsContact OE1-CZ 3.28Å; E29-R226 IonicContact OE1-NH1 2.69Å; E29-R226 PolarHBondContact OE1-NH1 3.06Å; E29-R226 IonicContact OE1-NH2 2.76Å; E29-R226 PolarHBondContact OE1-NH2 3.24Å; E29-R226 IonicContact OE2-CZ 3Å; E29-R226 IonicContact OE2-NH1 3.77Å; E29-R226 IonicContact OE2-NH2 3.79Å; E29-R226 PolarHBondContact OE2-NH2 2.95Å
30P87.9Confident89.3Confident14 Ų1464.4 Ų64.49%0.09139%0.39CS..THydrogen-bonded Turntrans-63.5-29.1-175.8-25.634.2000115.8H32 F38 F70 L80P30-H32 PolarHBondContact O-N 3.21Å; P30-F38 HydrophobicContact CG-CD1 3.89Å; P30-F38 HydrophobicContact CG-CD2 4.43Å; P30-F38 HydrophobicContact CG-CE1 3.9Å; P30-F38 HydrophobicContact CG-CE2 4.46Å; P30-F38 HydrophobicContact CG-CG 4.16Å; P30-F38 HydrophobicContact CG-CZ 4.2Å; P30-F70 HydrophobicContact CB-CD1 3.9Å; P30-F70 HydrophobicContact CB-CD2 3.76Å; P30-F70 HydrophobicContact CB-CE1 3.81Å; P30-F70 HydrophobicContact CB-CE2 3.67Å; P30-F70 HydrophobicContact CB-CG 3.87Å; P30-F70 HydrophobicContact CB-CZ 3.69Å; P30-F70 HydrophobicContact CG-CB 4.21Å; P30-F70 HydrophobicContact CG-CD1 4.27Å; P30-F70 HydrophobicContact CG-CD2 3.58Å; P30-F70 HydrophobicContact CG-CE2 3.94Å; P30-F70 HydrophobicContact CG-CG 3.75Å; P30-F70 HydrophobicContact CG-CZ 4.43Å; P30-L80 HydrophobicContact CG-CD2 3.76Å
31S82.2Confident89.3Confident69 Ų6965.3 Ų65.348%0.48339%0.389SS..THydrogen-bonded Turntrans-74.3-13.9-179.743.60000114E29 P33 R82E29-S31 VanDerWaalsContact C-N 3.33Å; E29-S31 VanDerWaalsContact CD-OG 3.31Å; E29-S31 PolarHBondContact O-N 3.26Å; E29-S31 PolarHBondContact OE1-OG 3.22Å; S31-P33 VanDerWaalsContact C-CD 3.42Å; S31-P33 WeakPolarHBondContact O-CD 3.35Å; S31-R82 PolarHBondContact OG-NH1 3Å
32H77.4Confident89.3Confident127 Ų12767.7 Ų67.759%0.58840%0.397SS*.SBendtrans-117.171.5169.2-63.5109000107.5E29 P30 I34E29-H32 HydrophobicContact CG-CB 4.2Å; E29-H32 CarbonylContact O-C 3.49Å; E29-H32 PolarHBondContact O-N 3.24Å; E29-H32 IonicContact OE2-CE1 2.8Å; E29-H32 PolarHBondContact OE2-CE1 3.23Å; E29-H32 IonicContact OE2-ND1 3.7Å; E29-H32 PolarHBondContact OE2-ND1 3.16Å; P30-H32 PolarHBondContact O-N 3.21Å; H32-I34 PolarHBondContact O-N 2.98Å
33P67.2Low89.3Confident102 Ų10264.3 Ų64.366%0.66238%0.382SS*.  trans-62.6113.8-169.425.6-33.5000109.9S31S31-P33 VanDerWaalsContact C-CD 3.42Å; S31-P33 WeakPolarHBondContact O-CD 3.35Å
34I75.9Confident89.2Confident101 Ų10168.3 Ų68.352%0.51840%0.404SS..  trans-90.9125.9163.6-59.3172.7000106H32 G36 V37H32-I34 PolarHBondContact O-N 2.98Å; I34-G36 PolarHBondContact O-N 2.99Å; I34-V37 HydrophobicContact CB-CB 4.39Å; I34-V37 HydrophobicContact CB-CG2 3.76Å; I34-V37 HydrophobicContact CG2-CG2 3.77Å; I34-V37 PolarHBondContact O-N 3.1Å; I34-V37 VanDerWaalsContact O-N 3.12Å
35D78.5Confident89Confident162 Ų16271.5 Ų71.587%0.86642%0.417SS*.THydrogen-bonded Turntrans-49.8129.1-178.9-75.5-21.9000111.3V37D35-V37 VanDerWaalsContact C-N 3.29Å; D35-V37 PolarHBondContact O-N 2.96Å
36G84Confident89Confident59 Ų5974 Ų7461%0.60842%0.418SS*.THydrogen-bonded Turntrans76.42175.100000116.1I34 T73I34-G36 PolarHBondContact O-N 2.99Å; G36-T73 WeakPolarHBondContact O-CB 3.3Å; G36-T73 VanDerWaalsContact O-CG2 3.24Å; G36-T73 WeakPolarHBondContact O-CG2 3.48Å; G36-T73 PolarHBondContact O-OG1 2.9Å
37V90.2Very high89Confident16 Ų1671.2 Ų71.210%0.09741%0.41CS..THydrogen-bonded Turntrans-84-44.2174.8175.10000112.1K28 I34 D35 T73K28-V37 HydrophobicContact CB-CG1 4.01Å; K28-V37 HydrophobicContact CD-CB 4.36Å; K28-V37 HydrophobicContact CD-CG1 3.39Å; K28-V37 HydrophobicContact CD-CG2 4Å; K28-V37 HydrophobicContact CG-CG1 4.26Å; I34-V37 HydrophobicContact CB-CB 4.39Å; I34-V37 HydrophobicContact CB-CG2 3.76Å; I34-V37 HydrophobicContact CG2-CG2 3.77Å; I34-V37 PolarHBondContact O-N 3.1Å; I34-V37 VanDerWaalsContact O-N 3.12Å; D35-V37 VanDerWaalsContact C-N 3.29Å; D35-V37 PolarHBondContact O-N 2.96Å; V37-T73 PolarHBondContact O-N 2.74Å; V37-T73 PolarHBondContact O-OG1 3.19Å; V37-T73 VanDerWaalsContact O-OG1 3.1Å
38F94.3Very high88.9Confident31 Ų3172 Ų7214%0.13642%0.415CS..EExtended strand (participates in β ladder)trans-117.4141179.8-61.6-82.9000109.8K28 P30 F70 S71 V72 L223K28-F38 HydrophobicContact CB-CE2 3.95Å; K28-F38 HydrophobicContact CB-CZ 4.03Å; P30-F38 HydrophobicContact CG-CD1 3.89Å; P30-F38 HydrophobicContact CG-CD2 4.43Å; P30-F38 HydrophobicContact CG-CE1 3.9Å; P30-F38 HydrophobicContact CG-CE2 4.46Å; P30-F38 HydrophobicContact CG-CG 4.16Å; P30-F38 HydrophobicContact CG-CZ 4.2Å; F38-F70 HydrophobicContact CB-CB 4.4Å; F38-F70 HydrophobicContact CB-CD1 4.46Å; F38-F70 HydrophobicContact CD1-CB 4.11Å; F38-S71 VanDerWaalsContact CA-O 3.3Å; F38-S71 WeakPolarHBondContact CA-O 3.49Å; F38-V72 HydrophobicContact CD1-CG2 4.03Å; F38-V72 HydrophobicContact CE1-CG2 3.75Å; F38-L223 HydrophobicContact CE1-CD2 4.04Å; F38-L223 HydrophobicContact CZ-CD2 3.77Å
39A93.6Very high88.9Confident45 Ų4573.3 Ų73.337%0.37242%0.424SS..EExtended strand (participates in β ladder)trans-125.7130.2167.800000109.6F70 S71 T73A39-F70 WeakPolarHBondContact O-CA 3.46Å; A39-S71 WeakPolarHBondContact CB-OG 3.5Å; A39-S71 PolarHBondContact N-O 3Å; A39-S71 PolarHBondContact O-N 2.87Å; A39-S71 PolarHBondContact O-OG 3.08Å; A39-S71 VanDerWaalsContact O-OG 3.06Å; A39-T73 HydrophobicContact CB-CG2 4.34Å
40C93.8Very high89Confident104 Ų10473.7 Ų73.770%0.70343%0.427SS*.EExtended strand (participates in β ladder)trans-60.1138.4178.3-60.60000110.9A69C40-A69 WeakPolarHBondContact CA-O 3.25Å
41I93.3Very high89.3Confident56 Ų5676.9 Ų76.929%0.28745%0.448SS..EExtended strand (participates in β ladder)trans-113.3137.1172.6-62.9169.2000108.3A69 I79I41-A69 HydrophobicContact CB-CB 4.17Å; I41-A69 PolarHBondContact N-O 3.12Å; I41-I79 HydrophobicContact CD1-CB 4.4Å; I41-I79 HydrophobicContact CD1-CD1 4.04Å; I41-I79 HydrophobicContact CD1-CG1 3.75Å; I41-I79 HydrophobicContact CD1-CG2 3.94Å
42N93.7Very high90Very high160 Ų16076.9 Ų76.986%0.85645%0.447SS*.  trans-83.7114.3167.4-64.6-41.1000109.1
43L96.4Very high90.9Very high26 Ų2677.5 Ų77.514%0.13645%0.45CS..  trans-69.6145.4168.2-62.4-178.1000110K45 V64 W67 A69 I81 L162L43-K45 PolarHBondContact O-N 2.75Å; L43-V64 HydrophobicContact CB-CG1 4.35Å; L43-W67 HydrophobicContact CD1-CB 3.72Å; L43-W67 HydrophobicContact CD1-CD2 4.46Å; L43-W67 HydrophobicContact CD1-CE3 3.8Å; L43-A69 HydrophobicContact CD1-CB 4.1Å; L43-A69 HydrophobicContact CD2-CB 3.7Å; L43-A69 HydrophobicContact CG-CB 3.69Å; L43-I81 HydrophobicContact CD1-CD1 4.2Å; L43-I81 HydrophobicContact CD1-CG2 4.16Å; L43-I81 HydrophobicContact CD2-CD1 4.33Å; L43-L162 HydrophobicContact CD2-CD2 3.64Å; L43-L162 HydrophobicContact CD2-CG 4.41Å
44N94.6Very high92.4Very high84 Ų8476.2 Ų76.245%0.44943%0.434SS..  trans-82.286177.3-170.7-9.8000110.2D46 A47 T161N44-D46 PolarHBondContact O-N 3.39Å; N44-D46 PolarHBondContact OD1-N 3.3Å; N44-A47 HydrophobicContact CB-CB 3.92Å; N44-A47 VanDerWaalsContact CG-CB 3.42Å; N44-A47 WeakPolarHBondContact ND2-CB 3.5Å; N44-A47 PolarHBondContact O-N 3.34Å; N44-A47 VanDerWaalsContact O-N 3.17Å; N44-A47 PolarHBondContact OD1-N 2.74Å; N44-T161 PolarHBondContact N-O 3.18Å
45K91.6Very high93.4Very high91 Ų9171.5 Ų71.540%0.39641%0.41SS..G310 helixtrans-57.1-36.4178.776.9-170.9-172.5176.80112.9L43 A47 C48 V64 N65L43-K45 PolarHBondContact O-N 2.75Å; K45-A47 PolarHBondContact O-N 2.85Å; K45-C48 VanDerWaalsContact O-CB 3.28Å; K45-C48 WeakPolarHBondContact O-CB 3.35Å; K45-C48 PolarHBondContact O-N 3.06Å; K45-C48 VanDerWaalsContact O-N 3.14Å; K45-V64 HydrophobicContact CB-CB 3.92Å; K45-V64 HydrophobicContact CB-CG1 3.95Å; K45-N65 WeakPolarHBondContact CD-OD1 3.14Å
46D94Very high94.3Very high138 Ų13870.1 Ų70.174%0.73840%0.398SS*.G310 helixtrans-77.7-15.9-174.5-58.2-41.7000111N44N44-D46 PolarHBondContact O-N 3.39Å; N44-D46 PolarHBondContact OD1-N 3.3Å
47A95.2Very high95Very high30 Ų3070.5 Ų70.525%0.24839%0.392CS..G310 helixtrans-86.7-5.6170.500000113.5N44 K45 I49 S160N44-A47 HydrophobicContact CB-CB 3.92Å; N44-A47 VanDerWaalsContact CG-CB 3.42Å; N44-A47 WeakPolarHBondContact ND2-CB 3.5Å; N44-A47 PolarHBondContact O-N 3.34Å; N44-A47 VanDerWaalsContact O-N 3.17Å; N44-A47 PolarHBondContact OD1-N 2.74Å; K45-A47 PolarHBondContact O-N 2.85Å; A47-I49 WeakPolarHBondContact O-CG2 3.14Å; A47-I49 PolarHBondContact O-N 3.19Å; A47-S160 VanDerWaalsContact O-CB 3.3Å; A47-S160 WeakPolarHBondContact O-CB 3.28Å
48C95Very high95.3Very high26 Ų2669.9 Ų69.918%0.17639%0.388CS..  trans-63.3112.9176.3-1710000109.9K45 V50 V64 S160 T161K45-C48 VanDerWaalsContact O-CB 3.28Å; K45-C48 WeakPolarHBondContact O-CB 3.35Å; K45-C48 PolarHBondContact O-N 3.06Å; K45-C48 VanDerWaalsContact O-N 3.14Å; C48-V50 VanDerWaalsContact C-N 3.29Å; C48-V50 PolarHBondContact O-N 3.39Å; C48-V50 PolarHBondContact SG-O 3.42Å; C48-V64 HydrophobicContact CB-CG2 4.36Å; C48-S160 WeakPolarHBondContact CA-OG 3.24Å; C48-T161 HydrophobicContact CB-CG2 3.87Å
49I94.7Very high95.5Very high92 Ų9268.6 Ų68.647%0.47238%0.384SS..  trans-83.1-8.1-177.864.4177.2000113.1A47 L156 S160A47-I49 WeakPolarHBondContact O-CG2 3.14Å; A47-I49 PolarHBondContact O-N 3.19Å; I49-L156 HydrophobicContact CD1-CB 4.15Å; I49-L156 HydrophobicContact CD1-CD2 3.84Å; I49-L156 HydrophobicContact CG1-CB 4.47Å; I49-S160 PolarHBondContact N-OG 3.38Å
50V95Very high95.7Very high15 Ų1566.5 Ų66.59%0.09137%0.366CS..SBendtrans-97.6122.1-178.2-1790000109.3C48 K54 L55 L156 A157C48-V50 VanDerWaalsContact C-N 3.29Å; C48-V50 PolarHBondContact O-N 3.39Å; C48-V50 PolarHBondContact SG-O 3.42Å; V50-K54 HydrophobicContact CG1-CB 3.79Å; V50-K54 HydrophobicContact CG1-CG 3.39Å; V50-L55 HydrophobicContact CB-CD2 3.92Å; V50-L55 HydrophobicContact CB-CG 4.46Å; V50-L55 HydrophobicContact CG1-CD2 3.76Å; V50-L55 HydrophobicContact CG1-CG 4.13Å; V50-L156 HydrophobicContact CG2-CB 4.08Å; V50-A157 HydrophobicContact CB-CB 4.1Å; V50-A157 HydrophobicContact CG2-CB 3.87Å
51P95.5Very high95.9Very high80 Ų8063.5 Ų63.552%0.51934%0.343SS..  trans-59.9151.9-179.4-24.933.9000113.7E53 K54 L55P51-E53 VanDerWaalsContact C-N 3.31Å; P51-E53 PolarHBondContact O-N 2.94Å; P51-K54 WeakPolarHBondContact O-CA 3.23Å; P51-K54 WeakPolarHBondContact O-CB 3.25Å; P51-K54 PolarHBondContact O-N 2.94Å; P51-L55 PolarHBondContact O-N 2.88Å
52C96Very high96.1Very high69 Ų6963 Ų6347%0.46634%0.343SS..Hα-helixtrans-53.7-43.2-178.7-68.20000113.4K54 L55 Q56 P62C52-K54 VanDerWaalsContact C-N 3.26Å; C52-K54 PolarHBondContact O-N 3.03Å; C52-L55 WeakPolarHBondContact O-CB 3.21Å; C52-L55 PolarHBondContact O-N 3.05Å; C52-Q56 PolarHBondContact O-N 2.76Å; C52-P62 HydrophobicContact CB-CB 4.17Å
53E97.1Very high96.3Very high140 Ų14059 Ų5965%0.65432%0.322SS*.Hα-helixtrans-63.1-37.8179.5-59.772.5-15800110.8P51 S57P51-E53 VanDerWaalsContact C-N 3.31Å; P51-E53 PolarHBondContact O-N 2.94Å; E53-S57 WeakPolarHBondContact O-CB 3.12Å; E53-S57 PolarHBondContact O-N 3.17Å
54K97.4Very high96.3Very high75 Ų7558.3 Ų58.333%0.32632%0.319SS..Hα-helixtrans-70.2-45.5176.9175.356.666.6157.80110.7V50 P51 C52 Q56 S57 I58 E153V50-K54 HydrophobicContact CG1-CB 3.79Å; V50-K54 HydrophobicContact CG1-CG 3.39Å; P51-K54 WeakPolarHBondContact O-CA 3.23Å; P51-K54 WeakPolarHBondContact O-CB 3.25Å; P51-K54 PolarHBondContact O-N 2.94Å; C52-K54 VanDerWaalsContact C-N 3.26Å; C52-K54 PolarHBondContact O-N 3.03Å; K54-Q56 VanDerWaalsContact C-N 3.28Å; K54-Q56 PolarHBondContact O-N 2.86Å; K54-S57 WeakPolarHBondContact CA-OG 3.18Å; K54-S57 PolarHBondContact O-N 2.96Å; K54-S57 VanDerWaalsContact O-N 3.07Å; K54-S57 PolarHBondContact O-OG 2.88Å; K54-I58 HydrophobicContact CD-CG2 4.15Å; K54-I58 WeakPolarHBondContact O-CG1 3.07Å; K54-I58 PolarHBondContact O-N 2.84Å; K54-I58 VanDerWaalsContact O-N 3.11Å; K54-E153 WeakPolarHBondContact CD-OE2 3.32Å; K54-E153 WeakPolarHBondContact CE-OE1 3.34Å; K54-E153 IonicContact NZ-OE1 2.98Å; K54-E153 PolarHBondContact NZ-OE1 2.93Å; K54-E153 IonicContact NZ-OE2 3.96Å; K54-E153 PolarHBondContact NZ-OE2 3.07Å
55L98Very high96.3Very high2 Ų259 Ų591%0.0132%0.323CS..Hα-helixtrans-51.5-49.9173.1-65.4178.6000110.9V50 P51 C52 S57 I58 G59 L60 V64 W67 A157V50-L55 HydrophobicContact CB-CD2 3.92Å; V50-L55 HydrophobicContact CB-CG 4.46Å; V50-L55 HydrophobicContact CG1-CD2 3.76Å; V50-L55 HydrophobicContact CG1-CG 4.13Å; P51-L55 PolarHBondContact O-N 2.88Å; C52-L55 WeakPolarHBondContact O-CB 3.21Å; C52-L55 PolarHBondContact O-N 3.05Å; L55-S57 PolarHBondContact O-N 3.28Å; L55-I58 WeakPolarHBondContact O-CG1 3.44Å; L55-I58 PolarHBondContact O-N 3Å; L55-G59 PolarHBondContact O-N 3.21Å; L55-L60 HydrophobicContact CB-CB 4.1Å; L55-L60 HydrophobicContact CD2-CB 4.36Å; L55-L60 HydrophobicContact CD2-CD1 3.63Å; L55-L60 WeakPolarHBondContact O-CA 3.44Å; L55-L60 WeakPolarHBondContact O-CB 3.23Å; L55-L60 PolarHBondContact O-N 3.09Å; L55-V64 HydrophobicContact CD1-CG2 4.14Å; L55-W67 HydrophobicContact CD2-CH2 4.48Å; L55-A157 HydrophobicContact CD2-CB 3.54Å
56Q97.7Very high96.5Very high133 Ų13356 Ų5662%0.62131%0.313SS*.Hα-helixtrans-61.2-42.7178-174.8176.84.700112.2C52 K54 I58 G59 P62C52-Q56 PolarHBondContact O-N 2.76Å; K54-Q56 VanDerWaalsContact C-N 3.28Å; K54-Q56 PolarHBondContact O-N 2.86Å; Q56-I58 VanDerWaalsContact C-N 3.25Å; Q56-I58 PolarHBondContact O-N 2.95Å; Q56-G59 PolarHBondContact O-N 2.92Å; Q56-G59 VanDerWaalsContact O-N 3.07Å; Q56-P62 HydrophobicContact CB-CB 4.39Å; Q56-P62 HydrophobicContact CB-CG 4.39Å
57S97.5Very high96.7Very high67 Ų6749.8 Ų49.847%0.46928%0.279SS..Hα-helixtrans-64-28.4-179.174.50000113.7E53 K54 L55E53-S57 WeakPolarHBondContact O-CB 3.12Å; E53-S57 PolarHBondContact O-N 3.17Å; K54-S57 WeakPolarHBondContact CA-OG 3.18Å; K54-S57 PolarHBondContact O-N 2.96Å; K54-S57 VanDerWaalsContact O-N 3.07Å; K54-S57 PolarHBondContact O-OG 2.88Å; L55-S57 PolarHBondContact O-N 3.28Å
58I97.6Very high96.7Very high3 Ų352.9 Ų52.92%0.01529%0.288CS..THydrogen-bonded Turntrans-97.316.9175.667.4177.8000112.8K54 L55 Q56 L60 Y92 W93 E153K54-I58 HydrophobicContact CD-CG2 4.15Å; K54-I58 WeakPolarHBondContact O-CG1 3.07Å; K54-I58 PolarHBondContact O-N 2.84Å; K54-I58 VanDerWaalsContact O-N 3.11Å; L55-I58 WeakPolarHBondContact O-CG1 3.44Å; L55-I58 PolarHBondContact O-N 3Å; Q56-I58 VanDerWaalsContact C-N 3.25Å; Q56-I58 PolarHBondContact O-N 2.95Å; I58-L60 VanDerWaalsContact C-N 3.3Å; I58-L60 HydrophobicContact CD1-CD1 3.76Å; I58-L60 HydrophobicContact CD1-CG 4.44Å; I58-L60 HydrophobicContact CG1-CD1 4Å; I58-L60 HydrophobicContact CG1-CG 4.18Å; I58-L60 PolarHBondContact O-N 3.11Å; I58-Y92 HydrophobicContact CB-CE1 4.39Å; I58-W93 PolarHBondContact O-NE1 2.85Å; I58-E153 HydrophobicContact CD1-CB 3.94Å; I58-E153 VanDerWaalsContact CG2-OE2 3.27Å; I58-E153 WeakPolarHBondContact CG2-OE2 3.16Å
59G97.9Very high96.9Very high5 Ų551.8 Ų51.85%0.05228%0.281CS..THydrogen-bonded Turntrans78.36.2173.800000115.8L55 Q56 T86 G89L55-G59 PolarHBondContact O-N 3.21Å; Q56-G59 PolarHBondContact O-N 2.92Å; Q56-G59 VanDerWaalsContact O-N 3.07Å; G59-T86 PolarHBondContact O-N 2.86Å; G59-T86 PolarHBondContact O-OG1 2.86Å; G59-G89 WeakPolarHBondContact O-CA 3.26Å
60L98.4Very high96.9Very high1 Ų149 Ų491%0.00527%0.265CS..BIsolated β-bridgetrans-78.5153.4171-67.8168.5000110.7L55 I58 P62 W67 A84 I85 L154 A157L55-L60 HydrophobicContact CB-CB 4.1Å; L55-L60 HydrophobicContact CD2-CB 4.36Å; L55-L60 HydrophobicContact CD2-CD1 3.63Å; L55-L60 WeakPolarHBondContact O-CA 3.44Å; L55-L60 WeakPolarHBondContact O-CB 3.23Å; L55-L60 PolarHBondContact O-N 3.09Å; I58-L60 VanDerWaalsContact C-N 3.3Å; I58-L60 HydrophobicContact CD1-CD1 3.76Å; I58-L60 HydrophobicContact CD1-CG 4.44Å; I58-L60 HydrophobicContact CG1-CD1 4Å; I58-L60 HydrophobicContact CG1-CG 4.18Å; I58-L60 PolarHBondContact O-N 3.11Å; L60-P62 WeakPolarHBondContact O-CD 3.4Å; L60-W67 HydrophobicContact CB-CZ2 4.17Å; L60-W67 HydrophobicContact CD1-CH2 4.27Å; L60-W67 HydrophobicContact CD1-CZ2 4.4Å; L60-W67 HydrophobicContact CD2-CH2 4.43Å; L60-W67 HydrophobicContact CD2-CZ2 4.28Å; L60-A84 CarbonylContact C-O 3.57Å; L60-A84 VanDerWaalsContact CA-O 3.27Å; L60-A84 WeakPolarHBondContact CA-O 3.34Å; L60-A84 WeakPolarHBondContact CD2-O 3.42Å; L60-I85 HydrophobicContact CD2-CD1 3.39Å; L60-I85 HydrophobicContact CD2-CG1 4.41Å; L60-I85 HydrophobicContact CG-CD1 4.4Å; L60-L154 HydrophobicContact CD1-CD1 4.04Å; L60-L154 HydrophobicContact CD2-CD1 3.95Å; L60-L154 HydrophobicContact CG-CD1 4.24Å; L60-A157 HydrophobicContact CD1-CB 3.68Å
61N98.1Very high97Very high40 Ų4049.8 Ų49.821%0.21427%0.272CS..  trans-72.5118.1171.8-174.7-25.1000108.5N63 S66 W67 D83 A84 T86N61-N63 PolarHBondContact O-N 3Å; N61-N63 VanDerWaalsContact O-N 3.15Å; N61-N63 PolarHBondContact OD1-N 3.24Å; N61-N63 VanDerWaalsContact OD1-N 3.08Å; N61-S66 VanDerWaalsContact CG-OG 3.28Å; N61-S66 PolarHBondContact ND2-OG 2.8Å; N61-S66 PolarHBondContact OD1-OG 2.74Å; N61-W67 PolarHBondContact O-NE1 2.97Å; N61-D83 WeakPolarHBondContact CB-O 3.46Å; N61-A84 PolarHBondContact N-O 2.76Å; N61-T86 HydrophobicContact CB-CG2 3.94Å
62P97.3Very high96.9Very high45 Ų4546 Ų4629%0.29225%0.247SC..SBendtrans-66.2-18.2-174.827.1-35.5000113.1C52 Q56 L60 V64C52-P62 HydrophobicContact CB-CB 4.17Å; Q56-P62 HydrophobicContact CB-CB 4.39Å; Q56-P62 HydrophobicContact CB-CG 4.39Å; L60-P62 WeakPolarHBondContact O-CD 3.4Å; P62-V64 PolarHBondContact O-N 3.01Å
63N96.7Very high96.7Very high78 Ų7846.1 Ų46.142%0.41725%0.246SC..  trans-90.497.1172.2-177.515.2000110.4N61 N65 S66N61-N63 PolarHBondContact O-N 3Å; N61-N63 VanDerWaalsContact O-N 3.15Å; N61-N63 PolarHBondContact OD1-N 3.24Å; N61-N63 VanDerWaalsContact OD1-N 3.08Å; N63-N65 PolarHBondContact O-N 2.74Å; N63-N65 VanDerWaalsContact O-N 3.12Å; N63-N65 WeakPolarHBondContact OD1-CB 3.47Å; N63-N65 PolarHBondContact OD1-N 3.06Å; N63-N65 PolarHBondContact OD1-ND2 3.05Å; N63-S66 PolarHBondContact O-N 2.92Å; N63-S66 PolarHBondContact O-OG 2.89Å
64V96.6Very high96.4Very high11 Ų1142.7 Ų42.77%0.06724%0.237CC..G310 helixtrans-59.6-24.6177.4179.80000112.4L43 K45 C48 L55 P62 S66 W67 T161L43-V64 HydrophobicContact CB-CG1 4.35Å; K45-V64 HydrophobicContact CB-CB 3.92Å; K45-V64 HydrophobicContact CB-CG1 3.95Å; C48-V64 HydrophobicContact CB-CG2 4.36Å; L55-V64 HydrophobicContact CD1-CG2 4.14Å; P62-V64 PolarHBondContact O-N 3.01Å; V64-S66 PolarHBondContact O-N 3.09Å; V64-W67 HydrophobicContact CB-CD2 4.47Å; V64-W67 HydrophobicContact CG1-CD2 4.15Å; V64-W67 HydrophobicContact CG1-CE3 4.1Å; V64-W67 HydrophobicContact CG1-CZ3 4.49Å; V64-W67 HydrophobicContact CG2-CH2 4.28Å; V64-W67 HydrophobicContact CG2-CZ2 4.04Å; V64-W67 VanDerWaalsContact O-CB 3.3Å; V64-W67 WeakPolarHBondContact O-CB 3.29Å; V64-W67 PolarHBondContact O-N 3.22Å; V64-T161 HydrophobicContact CG1-CG2 3.8Å; V64-T161 HydrophobicContact CG2-CG2 4.4Å
65N95Very high96.3Very high99 Ų9939.8 Ų39.853%0.52923%0.225SC..G310 helixtrans-65.5-21.9176.1-57.9-77.5000113.5K45 N63 W67K45-N65 WeakPolarHBondContact CD-OD1 3.14Å; N63-N65 PolarHBondContact O-N 2.74Å; N63-N65 VanDerWaalsContact O-N 3.12Å; N63-N65 WeakPolarHBondContact OD1-CB 3.47Å; N63-N65 PolarHBondContact OD1-N 3.06Å; N63-N65 PolarHBondContact OD1-ND2 3.05Å; N65-W67 VanDerWaalsContact C-N 3.28Å
66S95.9Very high96.2Very high27 Ų2748.4 Ų48.419%0.18926%0.258CS..G310 helixtrans-88.85.4175.857.40000113N61 N63 V64 H68 D83N61-S66 VanDerWaalsContact CG-OG 3.28Å; N61-S66 PolarHBondContact ND2-OG 2.8Å; N61-S66 PolarHBondContact OD1-OG 2.74Å; N63-S66 PolarHBondContact O-N 2.92Å; N63-S66 PolarHBondContact O-OG 2.89Å; V64-S66 PolarHBondContact O-N 3.09Å; S66-H68 PolarHBondContact O-N 2.85Å; S66-H68 PolarHBondContact O-ND1 2.96Å; S66-D83 WeakPolarHBondContact O-CB 3.44Å
67W97.4Very high96.1Very high8 Ų843.2 Ų43.23%0.0324%0.24CC..  trans-83.899.2173.1-61.813.4000108.1L43 L55 L60 N61 V64 N65 A69 I81 R82 A84 I158 T161L43-W67 HydrophobicContact CD1-CB 3.72Å; L43-W67 HydrophobicContact CD1-CD2 4.46Å; L43-W67 HydrophobicContact CD1-CE3 3.8Å; L55-W67 HydrophobicContact CD2-CH2 4.48Å; L60-W67 HydrophobicContact CB-CZ2 4.17Å; L60-W67 HydrophobicContact CD1-CH2 4.27Å; L60-W67 HydrophobicContact CD1-CZ2 4.4Å; L60-W67 HydrophobicContact CD2-CH2 4.43Å; L60-W67 HydrophobicContact CD2-CZ2 4.28Å; N61-W67 PolarHBondContact O-NE1 2.97Å; V64-W67 HydrophobicContact CB-CD2 4.47Å; V64-W67 HydrophobicContact CG1-CD2 4.15Å; V64-W67 HydrophobicContact CG1-CE3 4.1Å; V64-W67 HydrophobicContact CG1-CZ3 4.49Å; V64-W67 HydrophobicContact CG2-CH2 4.28Å; V64-W67 HydrophobicContact CG2-CZ2 4.04Å; V64-W67 VanDerWaalsContact O-CB 3.3Å; V64-W67 WeakPolarHBondContact O-CB 3.29Å; V64-W67 PolarHBondContact O-N 3.22Å; N65-W67 VanDerWaalsContact C-N 3.28Å; W67-A69 PolarHBondContact O-N 2.93Å; W67-I81 HydrophobicContact CB-CG2 3.82Å; W67-R82 CarbonylContact C-O 3.58Å; W67-R82 WeakPolarHBondContact CA-O 3.44Å; W67-A84 HydrophobicContact CB-CB 4.37Å; W67-A84 HydrophobicContact CD2-CB 3.64Å; W67-A84 HydrophobicContact CE3-CB 4Å; W67-A84 HydrophobicContact CG-CB 3.8Å; W67-I158 HydrophobicContact CZ3-CG1 4.24Å; W67-T161 HydrophobicContact CZ3-CG2 4.01Å
68H96.9Very high96.1Very high95 Ų9540 Ų4044%0.4422%0.218SC..EExtended strand (participates in β ladder)trans-76.899.1-176.4-58.9109.2000109.9S66 F70 I81 R82 D83S66-H68 PolarHBondContact O-N 2.85Å; S66-H68 PolarHBondContact O-ND1 2.96Å; H68-F70 HydrophobicContact CB-CE2 3.61Å; H68-F70 HydrophobicContact CB-CZ 3.8Å; H68-F70 VanDerWaalsContact O-CD2 3.31Å; H68-F70 WeakPolarHBondContact O-CD2 3.39Å; H68-F70 WeakPolarHBondContact O-CE2 3.08Å; H68-I81 WeakPolarHBondContact O-CA 3.27Å; H68-R82 HydrophobicContact CB-CB 4.44Å; H68-R82 PolarHBondContact N-O 2.85Å; H68-R82 PolarHBondContact O-N 2.66Å; H68-D83 IonicContact CE1-OD2 3.97Å; H68-D83 IonicContact CG-OD2 3.35Å; H68-D83 IonicContact ND1-OD2 3.85Å; H68-D83 PolarHBondContact ND1-OD2 2.99Å
69A97.3Very high96.1Very high3 Ų340.9 Ų40.93%0.02522%0.222CC..EExtended strand (participates in β ladder)trans-94.5136.4178.900000111.8C40 I41 L43 W67 I79 L80 I81C40-A69 WeakPolarHBondContact CA-O 3.25Å; I41-A69 HydrophobicContact CB-CB 4.17Å; I41-A69 PolarHBondContact N-O 3.12Å; L43-A69 HydrophobicContact CD1-CB 4.1Å; L43-A69 HydrophobicContact CD2-CB 3.7Å; L43-A69 HydrophobicContact CG-CB 3.69Å; W67-A69 PolarHBondContact O-N 2.93Å; A69-I79 HydrophobicContact CB-CG2 4.18Å; A69-L80 CarbonylContact C-O 3.49Å; A69-L80 WeakPolarHBondContact CA-O 3.34Å; A69-I81 HydrophobicContact CB-CG1 4.06Å
70F96.6Very high96.1Very high32 Ų3240.7 Ų40.714%0.1422%0.22CC..EExtended strand (participates in β ladder)trans-132.6130.5-178.5-54-86.8000110P30 F38 A39 H68 I79 L80 R82P30-F70 HydrophobicContact CB-CD1 3.9Å; P30-F70 HydrophobicContact CB-CD2 3.76Å; P30-F70 HydrophobicContact CB-CE1 3.81Å; P30-F70 HydrophobicContact CB-CE2 3.67Å; P30-F70 HydrophobicContact CB-CG 3.87Å; P30-F70 HydrophobicContact CB-CZ 3.69Å; P30-F70 HydrophobicContact CG-CB 4.21Å; P30-F70 HydrophobicContact CG-CD1 4.27Å; P30-F70 HydrophobicContact CG-CD2 3.58Å; P30-F70 HydrophobicContact CG-CE2 3.94Å; P30-F70 HydrophobicContact CG-CG 3.75Å; P30-F70 HydrophobicContact CG-CZ 4.43Å; F38-F70 HydrophobicContact CB-CB 4.4Å; F38-F70 HydrophobicContact CB-CD1 4.46Å; F38-F70 HydrophobicContact CD1-CB 4.11Å; A39-F70 WeakPolarHBondContact O-CA 3.46Å; H68-F70 HydrophobicContact CB-CE2 3.61Å; H68-F70 HydrophobicContact CB-CZ 3.8Å; H68-F70 VanDerWaalsContact O-CD2 3.31Å; H68-F70 WeakPolarHBondContact O-CD2 3.39Å; H68-F70 WeakPolarHBondContact O-CE2 3.08Å; F70-I79 CarbonylContact O-C 3.28Å; F70-I79 WeakPolarHBondContact O-CA 3.32Å; F70-L80 PolarHBondContact N-O 2.94Å; F70-L80 PolarHBondContact O-N 3.31Å; F70-R82 HydrophobicContact CE2-CG 4.46Å
71S95.5Very high96.1Very high32 Ų3240.7 Ų40.722%0.22422%0.22CC..EExtended strand (participates in β ladder)trans-80.9144.4163.262.70000109.5F38 A39 L78F38-S71 VanDerWaalsContact CA-O 3.3Å; F38-S71 WeakPolarHBondContact CA-O 3.49Å; A39-S71 WeakPolarHBondContact CB-OG 3.5Å; A39-S71 PolarHBondContact N-O 3Å; A39-S71 PolarHBondContact O-N 2.87Å; A39-S71 PolarHBondContact O-OG 3.08Å; A39-S71 VanDerWaalsContact O-OG 3.06Å; S71-L78 WeakPolarHBondContact CA-O 3.44Å
72V93.5Very high96.1Very high1 Ų140.2 Ų40.21%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-93.2113.9167.5-175.70000107.7F38 S74 N75 L78 T221 L223F38-V72 HydrophobicContact CD1-CG2 4.03Å; F38-V72 HydrophobicContact CE1-CG2 3.75Å; V72-S74 PolarHBondContact O-N 3.29Å; V72-N75 HydrophobicContact CB-CB 4.46Å; V72-N75 HydrophobicContact CG1-CB 4.48Å; V72-N75 CarbonylContact O-C 3.55Å; V72-N75 VanDerWaalsContact O-C 3.28Å; V72-N75 PolarHBondContact O-N 3.46Å; V72-L78 HydrophobicContact CB-CB 4.47Å; V72-L78 HydrophobicContact CB-CD2 3.95Å; V72-L78 HydrophobicContact CG2-CD2 3.7Å; V72-L78 HydrophobicContact CG2-CG 4.31Å; V72-L78 PolarHBondContact N-O 2.82Å; V72-T221 HydrophobicContact CG1-CG2 4.38Å; V72-L223 HydrophobicContact CG2-CD1 4.01Å; V72-L223 HydrophobicContact CG2-CD2 4.35Å
73T91.6Very high96.1Very high72 Ų7242.3 Ų42.344%0.44222%0.224SC..THydrogen-bonded Turntrans-61.7-32.1-167.856.30000113.3G36 V37 A39 N75G36-T73 WeakPolarHBondContact O-CB 3.3Å; G36-T73 VanDerWaalsContact O-CG2 3.24Å; G36-T73 WeakPolarHBondContact O-CG2 3.48Å; G36-T73 PolarHBondContact O-OG1 2.9Å; V37-T73 PolarHBondContact O-N 2.74Å; V37-T73 PolarHBondContact O-OG1 3.19Å; V37-T73 VanDerWaalsContact O-OG1 3.1Å; A39-T73 HydrophobicContact CB-CG2 4.34Å; T73-N75 VanDerWaalsContact C-N 3.28Å; T73-N75 PolarHBondContact O-N 2.77Å
74S91.9Very high96.1Very high67 Ų6738.6 Ų38.647%0.46920%0.204SC..THydrogen-bonded Turntrans-71.6-18.417552.50000113.9V72 T221V72-S74 PolarHBondContact O-N 3.29Å; S74-T221 PolarHBondContact OG-OG1 3.25Å
75N96.1Very high96.2Very high14 Ų1438.3 Ų38.38%0.07520%0.202CC..SBendtrans-133.279.8-171-59.685.8000109.8V72 T73 G77 L78 I211 G212 S237V72-N75 HydrophobicContact CB-CB 4.46Å; V72-N75 HydrophobicContact CG1-CB 4.48Å; V72-N75 CarbonylContact O-C 3.55Å; V72-N75 VanDerWaalsContact O-C 3.28Å; V72-N75 PolarHBondContact O-N 3.46Å; T73-N75 VanDerWaalsContact C-N 3.28Å; T73-N75 PolarHBondContact O-N 2.77Å; N75-G77 PolarHBondContact O-N 2.85Å; N75-L78 HydrophobicContact CB-CB 3.95Å; N75-L78 HydrophobicContact CB-CD2 4.12Å; N75-L78 VanDerWaalsContact O-CB 3.23Å; N75-L78 WeakPolarHBondContact O-CB 3.3Å; N75-L78 PolarHBondContact O-N 3.03Å; N75-I211 HydrophobicContact CB-CG1 4.48Å; N75-I211 PolarHBondContact ND2-O 2.85Å; N75-G212 PolarHBondContact ND2-O 2.89Å; N75-S237 PolarHBondContact O-OG 2.93Å
76R94.3Very high96.3Very high183 Ų18335.3 Ų35.369%0.69119%0.187SC*.THydrogen-bonded Turntrans-54.7130.8179.7-66.7-167.3-64.8-175.1-0.9111.2L78 L236 S237R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L236 HydrophobicContact CB-CD1 4.43Å; R76-L236 VanDerWaalsContact NH2-CD1 3.33Å; R76-S237 WeakPolarHBondContact O-CB 3.46Å; R76-S237 PolarHBondContact O-N 2.92Å; R76-S237 VanDerWaalsContact O-N 3.15Å; R76-S237 PolarHBondContact O-OG 3Å
77G96.4Very high96.2Very high24 Ų2437.8 Ų37.825%0.24721%0.209CC..THydrogen-bonded Turntrans85.9-2.6-177.200000114.9N75 S234N75-G77 PolarHBondContact O-N 2.85Å; G77-S234 CarbonylContact C-O 3.47Å; G77-S234 WeakPolarHBondContact CA-O 3.46Å; G77-S234 PolarHBondContact O-N 3.42Å; G77-S234 PolarHBondContact O-OG 3.23Å
78L98.1Very high96.1Very high0 Ų041.5 Ų41.50%024%0.236CC..EExtended strand (participates in β ladder)trans-84.4122.5166.4-168.673.3000109.5S71 V72 N75 R76 I211 L223 L231 V232 M233 S237S71-L78 WeakPolarHBondContact CA-O 3.44Å; V72-L78 HydrophobicContact CB-CB 4.47Å; V72-L78 HydrophobicContact CB-CD2 3.95Å; V72-L78 HydrophobicContact CG2-CD2 3.7Å; V72-L78 HydrophobicContact CG2-CG 4.31Å; V72-L78 PolarHBondContact N-O 2.82Å; N75-L78 HydrophobicContact CB-CB 3.95Å; N75-L78 HydrophobicContact CB-CD2 4.12Å; N75-L78 VanDerWaalsContact O-CB 3.23Å; N75-L78 WeakPolarHBondContact O-CB 3.3Å; N75-L78 PolarHBondContact O-N 3.03Å; R76-L78 VanDerWaalsContact C-N 3.33Å; L78-I211 HydrophobicContact CD2-CB 4.35Å; L78-I211 HydrophobicContact CD2-CG1 4.13Å; L78-I211 HydrophobicContact CD2-CG2 3.72Å; L78-L223 HydrophobicContact CD2-CD1 3.75Å; L78-L231 HydrophobicContact CD1-CD1 3.88Å; L78-L231 HydrophobicContact CD1-CD2 4.42Å; L78-L231 HydrophobicContact CD1-CG 4.2Å; L78-L231 HydrophobicContact CG-CD1 4.2Å; L78-V232 WeakPolarHBondContact CA-O 3.5Å; L78-M233 HydrophobicContact CD1-CG 3.72Å; L78-S237 PolarHBondContact N-OG 3.42Å
79I97.7Very high96.1Very high21 Ų2137 Ų3711%0.10822%0.215CC..EExtended strand (participates in β ladder)trans-125.5126.5-179.8-51.3170.5000108.6I41 A69 F70 I81 L162 V232I41-I79 HydrophobicContact CD1-CB 4.4Å; I41-I79 HydrophobicContact CD1-CD1 4.04Å; I41-I79 HydrophobicContact CD1-CG1 3.75Å; I41-I79 HydrophobicContact CD1-CG2 3.94Å; A69-I79 HydrophobicContact CB-CG2 4.18Å; F70-I79 CarbonylContact O-C 3.28Å; F70-I79 WeakPolarHBondContact O-CA 3.32Å; I79-I81 HydrophobicContact CG2-CG1 3.94Å; I79-L162 HydrophobicContact CD1-CD2 3.75Å; I79-V232 HydrophobicContact CB-CB 4.13Å; I79-V232 PolarHBondContact N-O 2.84Å; I79-V232 PolarHBondContact O-N 3.16Å
80L97.8Very high96.1Very high2 Ų238.3 Ų38.31%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-104.4124.3170.2177.562.8000108.2P30 A69 F70 L225 D229 L231P30-L80 HydrophobicContact CG-CD2 3.76Å; A69-L80 CarbonylContact C-O 3.49Å; A69-L80 WeakPolarHBondContact CA-O 3.34Å; F70-L80 PolarHBondContact N-O 2.94Å; F70-L80 PolarHBondContact O-N 3.31Å; L80-L225 HydrophobicContact CD1-CD2 3.82Å; L80-D229 HydrophobicContact CD1-CB 3.9Å; L80-L231 HydrophobicContact CD1-CD1 4.43Å
81I97.9Very high96Very high0 Ų041.1 Ų41.10%023%0.231CC..EExtended strand (participates in β ladder)trans-115121.2177.6-47172.7000108.3L43 W67 H68 A69 I79 A84 I158 L162 V230 V232L43-I81 HydrophobicContact CD1-CD1 4.2Å; L43-I81 HydrophobicContact CD1-CG2 4.16Å; L43-I81 HydrophobicContact CD2-CD1 4.33Å; W67-I81 HydrophobicContact CB-CG2 3.82Å; H68-I81 WeakPolarHBondContact O-CA 3.27Å; A69-I81 HydrophobicContact CB-CG1 4.06Å; I79-I81 HydrophobicContact CG2-CG1 3.94Å; I81-A84 HydrophobicContact CG2-CB 3.98Å; I81-I158 HydrophobicContact CD1-CG2 4.3Å; I81-L162 HydrophobicContact CD1-CD2 4.26Å; I81-V230 HydrophobicContact CB-CB 4.18Å; I81-V230 PolarHBondContact N-O 2.91Å; I81-V230 PolarHBondContact O-N 2.86Å; I81-V232 HydrophobicContact CD1-CG2 4.19Å
82R97.2Very high96.1Very high31 Ų3143.1 Ų43.112%0.11723%0.234CC..EExtended strand (participates in β ladder)trans-101.1157.7172.3-62.1-162164.8174.2-0.8110.6E29 S31 W67 H68 F70 A84 D229E29-R82 IonicContact OE1-CZ 3.6Å; E29-R82 IonicContact OE1-NH1 3.84Å; E29-R82 IonicContact OE1-NH2 3.5Å; E29-R82 PolarHBondContact OE1-NH2 3.39Å; S31-R82 PolarHBondContact OG-NH1 3Å; W67-R82 CarbonylContact C-O 3.58Å; W67-R82 WeakPolarHBondContact CA-O 3.44Å; H68-R82 HydrophobicContact CB-CB 4.44Å; H68-R82 PolarHBondContact N-O 2.85Å; H68-R82 PolarHBondContact O-N 2.66Å; F70-R82 HydrophobicContact CE2-CG 4.46Å; R82-A84 PolarHBondContact O-N 3.31Å; R82-D229 WeakPolarHBondContact CG-OD1 3.35Å; R82-D229 IonicContact NE-OD1 2.77Å; R82-D229 IonicContact NE-OD2 2.85Å
83D97.1Very high96.3Very high88 Ų8843.1 Ų43.147%0.47123%0.234SC..SBendtrans63.29.1173.3-49.3-54.7000116N61 S66 H68N61-D83 WeakPolarHBondContact CB-O 3.46Å; S66-D83 WeakPolarHBondContact O-CB 3.44Å; H68-D83 IonicContact CE1-OD2 3.97Å; H68-D83 IonicContact CG-OD2 3.35Å; H68-D83 IonicContact ND1-OD2 3.85Å; H68-D83 PolarHBondContact ND1-OD2 2.99Å
84A98.1Very high96.7Very high0 Ų039.7 Ų39.70%021%0.213CC..SBendtrans-68.6-40.1169.200000111.4L60 N61 W67 I81 R82 V230L60-A84 CarbonylContact C-O 3.57Å; L60-A84 VanDerWaalsContact CA-O 3.27Å; L60-A84 WeakPolarHBondContact CA-O 3.34Å; L60-A84 WeakPolarHBondContact CD2-O 3.42Å; N61-A84 PolarHBondContact N-O 2.76Å; W67-A84 HydrophobicContact CB-CB 4.37Å; W67-A84 HydrophobicContact CD2-CB 3.64Å; W67-A84 HydrophobicContact CE3-CB 4Å; W67-A84 HydrophobicContact CG-CB 3.8Å; I81-A84 HydrophobicContact CG2-CB 3.98Å; R82-A84 PolarHBondContact O-N 3.31Å; A84-V230 HydrophobicContact CB-CG2 4.27Å
85I98.3Very high96.9Very high5 Ų539.7 Ų39.73%0.02620%0.204CC..BIsolated β-bridgetrans-96.8118.7177.4-50.7-72.9000109.2L60 Q90 L154 I201 V230L60-I85 HydrophobicContact CD2-CD1 3.39Å; L60-I85 HydrophobicContact CD2-CG1 4.41Å; L60-I85 HydrophobicContact CG-CD1 4.4Å; I85-Q90 HydrophobicContact CB-CG 4.4Å; I85-Q90 HydrophobicContact CG2-CB 4.46Å; I85-Q90 HydrophobicContact CG2-CG 3.65Å; I85-L154 HydrophobicContact CD1-CD1 4.36Å; I85-I201 HydrophobicContact CD1-CD1 3.79Å; I85-I201 HydrophobicContact CD1-CG2 4.45Å; I85-I201 HydrophobicContact CG1-CD1 4.39Å; I85-I201 HydrophobicContact CG1-CG2 4.18Å; I85-V230 HydrophobicContact CG1-CG2 4.2Å
86T97.3Very high97Very high37 Ų3739.4 Ų39.423%0.22720%0.203CC..  trans-67.7160.8178.462.20000111.7G59 N61 S88 G89 Q90G59-T86 PolarHBondContact O-N 2.86Å; G59-T86 PolarHBondContact O-OG1 2.86Å; N61-T86 HydrophobicContact CB-CG2 3.94Å; T86-S88 VanDerWaalsContact C-N 3.31Å; T86-S88 PolarHBondContact O-N 3.2Å; T86-S88 PolarHBondContact OG1-OG 3.39Å; T86-G89 CarbonylContact O-C 3.48Å; T86-G89 WeakPolarHBondContact O-CA 3.14Å; T86-G89 PolarHBondContact O-N 3.03Å; T86-G89 WeakPolarHBondContact OG1-CA 3.36Å; T86-G89 PolarHBondContact OG1-N 3.34Å; T86-Q90 WeakPolarHBondContact O-CG 3.3Å; T86-Q90 PolarHBondContact O-N 3.06Å
87A94.2Very high97.2Very high79 Ų7930.7 Ų30.765%0.65317%0.17SC*.Hα-helixtrans-59.1-39.317700000113.1
88S93.9Very high97.3Very high85 Ų8529.7 Ų29.759%0.59416%0.159SC*.Hα-helixtrans-68.8-37.8171.248.60000111.7T86 Q90 R91 Y92T86-S88 VanDerWaalsContact C-N 3.31Å; T86-S88 PolarHBondContact O-N 3.2Å; T86-S88 PolarHBondContact OG1-OG 3.39Å; S88-Q90 VanDerWaalsContact C-N 3.31Å; S88-Q90 PolarHBondContact O-N 2.6Å; S88-R91 PolarHBondContact O-N 3.25Å; S88-R91 VanDerWaalsContact O-N 3.16Å; S88-Y92 PolarHBondContact O-N 3.15Å
89G97Very high97.2Very high0 Ų031.7 Ų31.70%017%0.171CC..Hα-helixtrans-58.4-39.3173.300000113.3G59 T86 R91 Y92 W93G59-G89 WeakPolarHBondContact O-CA 3.26Å; T86-G89 CarbonylContact O-C 3.48Å; T86-G89 WeakPolarHBondContact O-CA 3.14Å; T86-G89 PolarHBondContact O-N 3.03Å; T86-G89 WeakPolarHBondContact OG1-CA 3.36Å; T86-G89 PolarHBondContact OG1-N 3.34Å; G89-R91 VanDerWaalsContact C-N 3.31Å; G89-R91 PolarHBondContact O-N 3.16Å; G89-Y92 WeakPolarHBondContact O-CB 3.31Å; G89-Y92 PolarHBondContact O-N 3.38Å; G89-W93 WeakPolarHBondContact O-CB 3.35Å; G89-W93 PolarHBondContact O-N 2.91Å
90Q97.5Very high97.1Very high32 Ų3233.9 Ų33.915%0.1518%0.183CC..Hα-helixtrans-61.7-39.9175.7-66.3179.83800111.7I85 T86 S88 A94 L203 S227I85-Q90 HydrophobicContact CB-CG 4.4Å; I85-Q90 HydrophobicContact CG2-CB 4.46Å; I85-Q90 HydrophobicContact CG2-CG 3.65Å; T86-Q90 WeakPolarHBondContact O-CG 3.3Å; T86-Q90 PolarHBondContact O-N 3.06Å; S88-Q90 VanDerWaalsContact C-N 3.31Å; S88-Q90 PolarHBondContact O-N 2.6Å; Q90-A94 VanDerWaalsContact O-CB 3.24Å; Q90-A94 WeakPolarHBondContact O-CB 3.49Å; Q90-A94 PolarHBondContact O-N 2.9Å; Q90-L203 HydrophobicContact CB-CD2 4.11Å; Q90-L203 HydrophobicContact CG-CD2 4.24Å; Q90-S227 PolarHBondContact NE2-O 3.35Å; Q90-S227 PolarHBondContact OE1-OG 3.18Å
91R95.3Very high97.1Very high90 Ų9033.9 Ų33.934%0.3418%0.183SC..Hα-helixtrans-67.8-43.2174.5-61.6-176.5-173.4-165.4-1.4111.7S88 G89 A94 K95 I254 D255S88-R91 PolarHBondContact O-N 3.25Å; S88-R91 VanDerWaalsContact O-N 3.16Å; G89-R91 VanDerWaalsContact C-N 3.31Å; G89-R91 PolarHBondContact O-N 3.16Å; R91-A94 PolarHBondContact O-N 3.14Å; R91-K95 PolarHBondContact O-N 3.22Å; R91-I254 PolarHBondContact NH2-O 3.17Å; R91-D255 IonicContact CZ-OD1 3.6Å; R91-D255 IonicContact NH1-OD1 3.28Å; R91-D255 PolarHBondContact NH1-OD1 2.87Å
92Y96.9Very high97Very high75 Ų7535.1 Ų35.129%0.29419%0.19SC..Hα-helixtrans-57.3-52.8176.2170.1-103.6000111.5I58 S88 G89 A94 K95 L96I58-Y92 HydrophobicContact CB-CE1 4.39Å; S88-Y92 PolarHBondContact O-N 3.15Å; G89-Y92 WeakPolarHBondContact O-CB 3.31Å; G89-Y92 PolarHBondContact O-N 3.38Å; Y92-A94 VanDerWaalsContact C-N 3.33Å; Y92-A94 PolarHBondContact O-N 3.4Å; Y92-K95 WeakPolarHBondContact O-CB 3.43Å; Y92-K95 PolarHBondContact O-N 3.35Å; Y92-L96 HydrophobicContact CD1-CD1 4.1Å; Y92-L96 HydrophobicContact CE1-CD1 3.5Å; Y92-L96 HydrophobicContact CE1-CG 4.35Å; Y92-L96 HydrophobicContact CE2-CD1 4.28Å; Y92-L96 HydrophobicContact CE2-CD2 4.46Å; Y92-L96 HydrophobicContact CE2-CG 4.37Å; Y92-L96 WeakPolarHBondContact O-CG 3.32Å; Y92-L96 PolarHBondContact O-N 2.79Å
93W98.5Very high96.8Very high0 Ų038 Ų380%022%0.22CC..Hα-helixtrans-65.6-34.3178-80.4103000113.3I58 G89 L96 C97 F101 E150 M151 L154 L203 L279I58-W93 PolarHBondContact O-NE1 2.85Å; G89-W93 WeakPolarHBondContact O-CB 3.35Å; G89-W93 PolarHBondContact O-N 2.91Å; W93-L96 HydrophobicContact CD2-CD1 4.23Å; W93-L96 HydrophobicContact CE3-CD1 3.87Å; W93-L96 HydrophobicContact CZ3-CD1 4.05Å; W93-L96 PolarHBondContact O-N 3.05Å; W93-C97 WeakPolarHBondContact O-CB 3.3Å; W93-C97 PolarHBondContact O-N 2.92Å; W93-C97 PolarHBondContact O-SG 2.83Å; W93-F101 HydrophobicContact CE3-CE2 4.36Å; W93-F101 HydrophobicContact CE3-CZ 4.45Å; W93-F101 HydrophobicContact CZ3-CE2 4.08Å; W93-F101 AromaticContact CZ3-CZ 3.89Å; W93-F101 HydrophobicContact CZ3-CZ 3.89Å; W93-E150 HydrophobicContact CH2-CB 3.83Å; W93-E150 WeakPolarHBondContact CH2-O 3.35Å; W93-E150 HydrophobicContact CZ3-CB 4.29Å; W93-M151 HydrophobicContact CZ3-CG 4.43Å; W93-L154 HydrophobicContact CE3-CD2 4.49Å; W93-L154 HydrophobicContact CH2-CB 3.75Å; W93-L154 HydrophobicContact CH2-CD2 3.39Å; W93-L154 HydrophobicContact CH2-CG 4.08Å; W93-L154 HydrophobicContact CZ2-CB 3.77Å; W93-L154 HydrophobicContact CZ2-CD1 3.91Å; W93-L154 HydrophobicContact CZ2-CD2 3.56Å; W93-L154 HydrophobicContact CZ2-CG 3.95Å; W93-L154 HydrophobicContact CZ3-CD2 3.9Å; W93-L203 HydrophobicContact CB-CD1 3.8Å; W93-L203 HydrophobicContact CB-CD2 4.18Å; W93-L279 HydrophobicContact CE3-CD2 3.75Å; W93-L279 HydrophobicContact CH2-CD2 4.4Å; W93-L279 HydrophobicContact CZ3-CD2 3.53Å
94A98.2Very high96.7Very high0 Ų037.1 Ų37.10%022%0.215CC..Hα-helixtrans-62.9-44.5173.300000111.3Q90 R91 Y92 C97 L98 I268 L272Q90-A94 VanDerWaalsContact O-CB 3.24Å; Q90-A94 WeakPolarHBondContact O-CB 3.49Å; Q90-A94 PolarHBondContact O-N 2.9Å; R91-A94 PolarHBondContact O-N 3.14Å; Y92-A94 VanDerWaalsContact C-N 3.33Å; Y92-A94 PolarHBondContact O-N 3.4Å; A94-C97 PolarHBondContact O-N 3.35Å; A94-L98 HydrophobicContact CB-CD1 4.44Å; A94-L98 VanDerWaalsContact O-CB 3.28Å; A94-L98 WeakPolarHBondContact O-CB 3.49Å; A94-L98 WeakPolarHBondContact O-CD1 3.5Å; A94-L98 WeakPolarHBondContact O-CG 3.49Å; A94-L98 PolarHBondContact O-N 3.23Å; A94-I268 HydrophobicContact CB-CG2 3.88Å; A94-L272 HydrophobicContact CB-CD1 3.78Å; A94-L272 HydrophobicContact CB-CD2 3.84Å; A94-L272 HydrophobicContact CB-CG 4.14Å
95K97.5Very high96.5Very high67 Ų6740.9 Ų40.929%0.29124%0.239SC..Hα-helixtrans-59.2-49.6174.8-179171.8164.5147.60111.4R91 Y92 C97 L98 V99 D100 E264 I268R91-K95 PolarHBondContact O-N 3.22Å; Y92-K95 WeakPolarHBondContact O-CB 3.43Å; Y92-K95 PolarHBondContact O-N 3.35Å; K95-C97 VanDerWaalsContact C-N 3.3Å; K95-C97 PolarHBondContact O-N 2.94Å; K95-L98 PolarHBondContact O-N 2.99Å; K95-L98 VanDerWaalsContact O-N 3.14Å; K95-V99 WeakPolarHBondContact O-CB 3.31Å; K95-V99 PolarHBondContact O-N 3.26Å; K95-D100 WeakPolarHBondContact CG-OD2 3.4Å; K95-E264 WeakPolarHBondContact CE-OE1 3.37Å; K95-E264 IonicContact NZ-OE1 2.68Å; K95-E264 PolarHBondContact NZ-OE1 3.35Å; K95-I268 HydrophobicContact CB-CD1 3.72Å; K95-I268 HydrophobicContact CD-CD1 4.36Å; K95-I268 HydrophobicContact CG-CD1 3.81Å
96L98.2Very high96.4Very high8 Ų843 Ų434%0.04225%0.249CC..Iπ-helixtrans-54.4-47.1176.3-68178.8000111.8Y92 W93 D100 F101 E150Y92-L96 HydrophobicContact CD1-CD1 4.1Å; Y92-L96 HydrophobicContact CE1-CD1 3.5Å; Y92-L96 HydrophobicContact CE1-CG 4.35Å; Y92-L96 HydrophobicContact CE2-CD1 4.28Å; Y92-L96 HydrophobicContact CE2-CD2 4.46Å; Y92-L96 HydrophobicContact CE2-CG 4.37Å; Y92-L96 WeakPolarHBondContact O-CG 3.32Å; Y92-L96 PolarHBondContact O-N 2.79Å; W93-L96 HydrophobicContact CD2-CD1 4.23Å; W93-L96 HydrophobicContact CE3-CD1 3.87Å; W93-L96 HydrophobicContact CZ3-CD1 4.05Å; W93-L96 PolarHBondContact O-N 3.05Å; L96-D100 HydrophobicContact CD2-CB 3.91Å; L96-D100 PolarHBondContact O-N 2.8Å; L96-F101 HydrophobicContact CB-CD1 4.38Å; L96-F101 HydrophobicContact CB-CD2 4.04Å; L96-F101 HydrophobicContact CB-CE1 4.02Å; L96-F101 HydrophobicContact CB-CE2 3.64Å; L96-F101 HydrophobicContact CB-CG 4.4Å; L96-F101 HydrophobicContact CB-CZ 3.65Å; L96-F101 HydrophobicContact CD1-CE1 4.28Å; L96-F101 HydrophobicContact CD1-CE2 4.44Å; L96-F101 HydrophobicContact CD1-CZ 3.8Å; L96-F101 HydrophobicContact CD2-CE1 4.3Å; L96-F101 HydrophobicContact CG-CE1 4.45Å; L96-F101 HydrophobicContact CG-CZ 4.23Å; L96-F101 VanDerWaalsContact O-CB 3.24Å; L96-F101 WeakPolarHBondContact O-CB 3.44Å; L96-F101 WeakPolarHBondContact O-CD2 3.42Å; L96-F101 WeakPolarHBondContact O-CG 3.2Å; L96-F101 PolarHBondContact O-N 2.82Å; L96-E150 HydrophobicContact CD1-CB 4.07Å; L96-E150 HydrophobicContact CD1-CG 3.93Å
97C98.4Very high96.2Very high0 Ų046.6 Ų46.60%026%0.258CS..Iπ-helixtrans-69.3-32.4-179.6-67.20000113.7W93 A94 K95 V174 Y176 I277W93-C97 WeakPolarHBondContact O-CB 3.3Å; W93-C97 PolarHBondContact O-N 2.92Å; W93-C97 PolarHBondContact O-SG 2.83Å; A94-C97 PolarHBondContact O-N 3.35Å; K95-C97 VanDerWaalsContact C-N 3.3Å; K95-C97 PolarHBondContact O-N 2.94Å; C97-V174 HydrophobicContact CB-CG1 3.99Å; C97-Y176 PolarHBondContact O-OH 2.71Å; C97-I277 HydrophobicContact CB-CD1 4.22Å; C97-I277 HydrophobicContact CB-CG2 4.14Å
98L97.7Very high96.3Very high3 Ų343.4 Ų43.42%0.01623%0.231CC..Iπ-helixtrans-93.3-20.7-173.7-66.8167.1000113.2A94 K95 P117 L118 Y176 I268 Y271 I277A94-L98 HydrophobicContact CB-CD1 4.44Å; A94-L98 VanDerWaalsContact O-CB 3.28Å; A94-L98 WeakPolarHBondContact O-CB 3.49Å; A94-L98 WeakPolarHBondContact O-CD1 3.5Å; A94-L98 WeakPolarHBondContact O-CG 3.49Å; A94-L98 PolarHBondContact O-N 3.23Å; K95-L98 PolarHBondContact O-N 2.99Å; K95-L98 VanDerWaalsContact O-N 3.14Å; L98-P117 HydrophobicContact CB-CG 4.09Å; L98-P117 HydrophobicContact CD2-CB 3.74Å; L98-P117 HydrophobicContact CD2-CG 3.45Å; L98-P117 VanDerWaalsContact CD2-CG 3.45Å; L98-P117 HydrophobicContact CG-CG 4.39Å; L98-P117 WeakPolarHBondContact O-CD 3.37Å; L98-P117 WeakPolarHBondContact O-CG 3.31Å; L98-L118 HydrophobicContact CB-CD2 4.44Å; L98-L118 HydrophobicContact CD1-CD2 4.17Å; L98-L118 HydrophobicContact CD2-CD2 4.43Å; L98-Y176 HydrophobicContact CD2-CD1 4.16Å; L98-Y176 HydrophobicContact CD2-CE1 3.91Å; L98-I268 HydrophobicContact CD1-CB 4.37Å; L98-I268 HydrophobicContact CD1-CG1 4.1Å; L98-I268 HydrophobicContact CD1-CG2 4.01Å; L98-Y271 HydrophobicContact CD1-CD1 3.76Å; L98-Y271 HydrophobicContact CD1-CE1 4.36Å; L98-Y271 HydrophobicContact CD1-CG 4.03Å; L98-Y271 HydrophobicContact CD2-CD1 3.74Å; L98-Y271 HydrophobicContact CD2-CD2 4.2Å; L98-Y271 HydrophobicContact CD2-CE1 3.58Å; L98-Y271 HydrophobicContact CD2-CE2 4.04Å; L98-Y271 HydrophobicContact CD2-CG 4.06Å; L98-Y271 HydrophobicContact CG-CD1 4.4Å; L98-I277 HydrophobicContact CD1-CD1 4.02Å; L98-I277 HydrophobicContact CD2-CD1 3.82Å; L98-I277 HydrophobicContact CG-CD1 3.77Å
99V96.2Very high96.3Very high43 Ų4342 Ų4226%0.26122%0.217SC..Iπ-helixtrans-131.3-71.4-171.6-173.10000110.6K95 F101 L102 A103 L118 E264 I268K95-V99 WeakPolarHBondContact O-CB 3.31Å; K95-V99 PolarHBondContact O-N 3.26Å; V99-F101 PolarHBondContact O-N 3.39Å; V99-L102 PolarHBondContact O-N 2.95Å; V99-A103 PolarHBondContact O-N 2.81Å; V99-L118 HydrophobicContact CG2-CD1 4.45Å; V99-E264 HydrophobicContact CG2-CG 4.3Å; V99-I268 HydrophobicContact CG2-CD1 4.36Å
100D96.6Very high96.2Very high67 Ų6742.8 Ų42.836%0.35822%0.222SC..Iπ-helixtrans-65.5-45.4-164.8-53.6-97.2000113K95 L96 L102 A103K95-D100 WeakPolarHBondContact CG-OD2 3.4Å; L96-D100 HydrophobicContact CD2-CB 3.91Å; L96-D100 PolarHBondContact O-N 2.8Å; D100-L102 VanDerWaalsContact C-N 3.27Å; D100-L102 PolarHBondContact O-N 2.87Å; D100-A103 WeakPolarHBondContact O-CB 3.48Å; D100-A103 PolarHBondContact O-N 2.81Å; D100-A103 VanDerWaalsContact O-N 3.13Å
101F97.2Very high95.9Very high2 Ų243.4 Ų43.41%0.00924%0.237CC..G310 helixtrans-65.9-30.7-179.6-65.1-25000112.3W93 L96 V99 A103 L104 F129 P148 E150 M151W93-F101 HydrophobicContact CE3-CE2 4.36Å; W93-F101 HydrophobicContact CE3-CZ 4.45Å; W93-F101 HydrophobicContact CZ3-CE2 4.08Å; W93-F101 AromaticContact CZ3-CZ 3.89Å; W93-F101 HydrophobicContact CZ3-CZ 3.89Å; L96-F101 HydrophobicContact CB-CD1 4.38Å; L96-F101 HydrophobicContact CB-CD2 4.04Å; L96-F101 HydrophobicContact CB-CE1 4.02Å; L96-F101 HydrophobicContact CB-CE2 3.64Å; L96-F101 HydrophobicContact CB-CG 4.4Å; L96-F101 HydrophobicContact CB-CZ 3.65Å; L96-F101 HydrophobicContact CD1-CE1 4.28Å; L96-F101 HydrophobicContact CD1-CE2 4.44Å; L96-F101 HydrophobicContact CD1-CZ 3.8Å; L96-F101 HydrophobicContact CD2-CE1 4.3Å; L96-F101 HydrophobicContact CG-CE1 4.45Å; L96-F101 HydrophobicContact CG-CZ 4.23Å; L96-F101 VanDerWaalsContact O-CB 3.24Å; L96-F101 WeakPolarHBondContact O-CB 3.44Å; L96-F101 WeakPolarHBondContact O-CD2 3.42Å; L96-F101 WeakPolarHBondContact O-CG 3.2Å; L96-F101 PolarHBondContact O-N 2.82Å; V99-F101 PolarHBondContact O-N 3.39Å; F101-A103 PolarHBondContact O-N 2.8Å; F101-L104 HydrophobicContact CD1-CD1 4.13Å; F101-L104 WeakPolarHBondContact O-CB 3.45Å; F101-L104 PolarHBondContact O-N 2.94Å; F101-L104 VanDerWaalsContact O-N 3.08Å; F101-F129 HydrophobicContact CB-CE1 4.06Å; F101-F129 HydrophobicContact CB-CE2 4.25Å; F101-F129 HydrophobicContact CB-CZ 3.61Å; F101-F129 WeakPolarHBondContact O-CE1 3.36Å; F101-F129 WeakPolarHBondContact O-CZ 3.24Å; F101-P148 HydrophobicContact CD1-CB 3.77Å; F101-P148 HydrophobicContact CD1-CG 3.85Å; F101-P148 HydrophobicContact CE1-CB 3.43Å; F101-P148 VanDerWaalsContact CE1-CB 3.43Å; F101-P148 HydrophobicContact CE1-CG 3.98Å; F101-P148 HydrophobicContact CG-CG 4.38Å; F101-P148 HydrophobicContact CZ-CB 4.1Å; F101-E150 HydrophobicContact CE1-CB 4.38Å; F101-E150 HydrophobicContact CZ-CB 4.19Å; F101-M151 HydrophobicContact CD2-CE 3.33Å; F101-M151 HydrophobicContact CE1-CE 4.43Å; F101-M151 HydrophobicContact CE2-CE 3.22Å; F101-M151 HydrophobicContact CE2-CG 4.21Å; F101-M151 HydrophobicContact CG-CE 4.01Å; F101-M151 HydrophobicContact CZ-CE 3.81Å; F101-M151 HydrophobicContact CZ-CG 3.98Å
102L95.2Very high95.6Very high26 Ų2647.6 Ų47.614%0.13627%0.266CS..G310 helixtrans-75.3-12.4178.4-64174.3000113V99 D100 L104 H106 C115 P117 L124 A127V99-L102 PolarHBondContact O-N 2.95Å; D100-L102 VanDerWaalsContact C-N 3.27Å; D100-L102 PolarHBondContact O-N 2.87Å; L102-L104 VanDerWaalsContact C-N 3.35Å; L102-H106 PolarHBondContact O-CE1 2.79Å; L102-H106 VanDerWaalsContact O-CE1 3.24Å; L102-C115 WeakPolarHBondContact CD1-O 3.44Å; L102-P117 VanDerWaalsContact CD1-CD 3.41Å; L102-P117 HydrophobicContact CD1-CG 3.79Å; L102-L124 HydrophobicContact CD1-CD2 3.89Å; L102-L124 HydrophobicContact CD2-CD2 4.06Å; L102-A127 HydrophobicContact CD2-CB 3.88Å
103A93.8Very high95.1Very high90 Ų9049.7 Ų49.774%0.74428%0.281SS*.G310 helixtrans-83-12.5168.600000113V99 D100 F101V99-A103 PolarHBondContact O-N 2.81Å; D100-A103 WeakPolarHBondContact O-CB 3.48Å; D100-A103 PolarHBondContact O-N 2.81Å; D100-A103 VanDerWaalsContact O-N 3.13Å; F101-A103 PolarHBondContact O-N 2.8Å
104L94.5Very high94.3Very high70 Ų7054.8 Ų54.837%0.36632%0.315SS..SBendtrans-86.1158.6175.8-57.8176.6000111F101 L102 H106 F129 P148F101-L104 HydrophobicContact CD1-CD1 4.13Å; F101-L104 WeakPolarHBondContact O-CB 3.45Å; F101-L104 PolarHBondContact O-N 2.94Å; F101-L104 VanDerWaalsContact O-N 3.08Å; L102-L104 VanDerWaalsContact C-N 3.35Å; L104-H106 PolarHBondContact O-N 2.91Å; L104-H106 PolarHBondContact O-ND1 2.8Å; L104-F129 HydrophobicContact CB-CE1 4.39Å; L104-P148 HydrophobicContact CD1-CB 4.08Å; L104-P148 HydrophobicContact CD1-CG 3.79Å
105P94.5Very high93.7Very high80 Ų8055.8 Ų55.852%0.51932%0.321SS..SBendtrans-59.3126.6171.4-2233.3000111.4S145P105-S145 WeakPolarHBondContact O-CB 3.46Å; P105-S145 PolarHBondContact O-OG 3.43Å
106H94.7Very high93.4Very high48 Ų4855.7 Ų55.722%0.22232%0.324CS..  trans-153.4170.7-175.865.9-84.5000111.1L102 L104 T128 F129L102-H106 PolarHBondContact O-CE1 2.79Å; L102-H106 VanDerWaalsContact O-CE1 3.24Å; L104-H106 PolarHBondContact O-N 2.91Å; L104-H106 PolarHBondContact O-ND1 2.8Å; H106-T128 WeakPolarHBondContact CA-O 3.25Å; H106-T128 WeakPolarHBondContact CB-O 3.47Å; H106-F129 HydrophobicContact CB-CD1 3.81Å; H106-F129 HydrophobicContact CB-CE1 3.43Å; H106-F129 VanDerWaalsContact CB-CE1 3.43Å; H106-F129 HydrophobicContact CB-CZ 3.91Å
107R94.5Very high93.2Very high113 Ų11355.7 Ų55.743%0.42633%0.325SS..EExtended strand (participates in β ladder)trans-114.6143.7162.3-71.6-172.2-174.4175.24.8110.1A127 T128 S143R107-A127 CarbonylContact O-C 3.5Å; R107-A127 WeakPolarHBondContact O-CA 3.43Å; R107-T128 PolarHBondContact N-O 2.81Å; R107-T128 PolarHBondContact O-N 3.39Å; R107-T128 PolarHBondContact O-OG1 2.92Å; R107-S143 PolarHBondContact NH2-OG 3.35Å
108S95.3Very high93.1Very high12 Ų1257.4 Ų57.48%0.08433%0.334CS..EExtended strand (participates in β ladder)trans-135167.9178.4760000111.7V110 G111 C115 W126S108-V110 PolarHBondContact O-N 3.32Å; S108-V110 VanDerWaalsContact OG-CG2 3.24Å; S108-V110 WeakPolarHBondContact OG-CG2 3.48Å; S108-V110 PolarHBondContact OG-N 2.87Å; S108-G111 PolarHBondContact O-N 2.57Å; S108-G111 PolarHBondContact OG-N 2.9Å; S108-C115 PolarHBondContact OG-SG 2.72Å; S108-C115 VanDerWaalsContact OG-SG 3.34Å; S108-W126 VanDerWaalsContact CA-O 3.29Å; S108-W126 WeakPolarHBondContact CA-O 3.41Å; S108-W126 WeakPolarHBondContact CB-O 3.49Å; S108-W126 WeakPolarHBondContact O-CH2 3.48Å
109N95Very high92.8Very high56 Ų5661.3 Ų61.330%0.29935%0.354SS..THydrogen-bonded Turntrans-69.1-8.9174.473.2-75.7000113.9K123 L124 R125 W126N109-K123 PolarHBondContact ND2-O 3.1Å; N109-L124 WeakPolarHBondContact OD1-CA 3.39Å; N109-R125 PolarHBondContact OD1-N 2.96Å; N109-W126 VanDerWaalsContact CA-CZ2 3.48Å; N109-W126 HydrophobicContact CB-CD2 3.87Å; N109-W126 HydrophobicContact CB-CG 4.18Å; N109-W126 HydrophobicContact CB-CH2 4.37Å; N109-W126 HydrophobicContact CB-CZ2 3.65Å; N109-W126 PolarHBondContact N-O 3.3Å; N109-W126 PolarHBondContact OD1-N 3.03Å; N109-W126 VanDerWaalsContact OD1-N 3.11Å; N109-W126 PolarHBondContact OD1-O 3.07Å
110V94.7Very high92.4Very high16 Ų1664.9 Ų64.910%0.09738%0.378CS..THydrogen-bonded Turntrans-103.62.1179.4-56.10000112.3S108 D112 L113 C115 K123 L124S108-V110 PolarHBondContact O-N 3.32Å; S108-V110 VanDerWaalsContact OG-CG2 3.24Å; S108-V110 WeakPolarHBondContact OG-CG2 3.48Å; S108-V110 PolarHBondContact OG-N 2.87Å; V110-D112 PolarHBondContact O-N 2.94Å; V110-L113 HydrophobicContact CB-CB 4.09Å; V110-L113 HydrophobicContact CG2-CB 4.34Å; V110-L113 VanDerWaalsContact O-CB 3.26Å; V110-L113 WeakPolarHBondContact O-CB 3.5Å; V110-L113 WeakPolarHBondContact O-CG 3.31Å; V110-L113 PolarHBondContact O-N 3.2Å; V110-L113 VanDerWaalsContact O-N 3.12Å; V110-C115 HydrophobicContact CG2-CB 4.41Å; V110-C115 WeakPolarHBondContact CG2-SG 3.28Å; V110-K123 VanDerWaalsContact CG1-C 3.47Å; V110-K123 HydrophobicContact CG1-CB 3.81Å; V110-K123 WeakPolarHBondContact CG1-O 3.3Å; V110-L124 HydrophobicContact CG2-CD1 4.28Å
111G91.6Very high91.9Very high45 Ų4568.6 Ų68.646%0.46439%0.393SS..THydrogen-bonded Turntrans58-127.7-178.800000111S108 L113S108-G111 PolarHBondContact O-N 2.57Å; S108-G111 PolarHBondContact OG-N 2.9Å; G111-L113 VanDerWaalsContact C-N 3.28Å; G111-L113 PolarHBondContact O-N 3.08Å
112D87.3Confident91.8Very high179 Ų17969.4 Ų69.496%0.95740%0.399SS*.THydrogen-bonded Turntrans-82.8-0.6-179.7-55.7-39.7000113.8V110V110-D112 PolarHBondContact O-N 2.94Å
113L88.4Confident91.7Very high118 Ų11875 Ų7562%0.61842%0.422SS*.SBendtrans-68.4157.3177-62.5174.9000110.9V110 G111 C115V110-L113 HydrophobicContact CB-CB 4.09Å; V110-L113 HydrophobicContact CG2-CB 4.34Å; V110-L113 VanDerWaalsContact O-CB 3.26Å; V110-L113 WeakPolarHBondContact O-CB 3.5Å; V110-L113 WeakPolarHBondContact O-CG 3.31Å; V110-L113 PolarHBondContact O-N 3.2Å; V110-L113 VanDerWaalsContact O-N 3.12Å; G111-L113 VanDerWaalsContact C-N 3.28Å; G111-L113 PolarHBondContact O-N 3.08Å; L113-C115 PolarHBondContact O-N 3.31Å; L113-C115 VanDerWaalsContact O-N 3.11Å; L113-C115 PolarHBondContact O-SG 2.64Å; L113-C115 VanDerWaalsContact O-SG 3.33Å
114P80.3Confident91.8Very high107 Ų10770.8 Ų70.870%0.69539%0.388SS*.  trans-50.9121.1176-28.335.7000112.4
115C85.6Confident91.9Very high21 Ų2171 Ų7114%0.14238%0.384CS..  trans-93.713.9-175-72.60000113.7L102 S108 V110 L113 P117 L124L102-C115 WeakPolarHBondContact CD1-O 3.44Å; S108-C115 PolarHBondContact OG-SG 2.72Å; S108-C115 VanDerWaalsContact OG-SG 3.34Å; V110-C115 HydrophobicContact CG2-CB 4.41Å; V110-C115 WeakPolarHBondContact CG2-SG 3.28Å; L113-C115 PolarHBondContact O-N 3.31Å; L113-C115 VanDerWaalsContact O-N 3.11Å; L113-C115 PolarHBondContact O-SG 2.64Å; L113-C115 VanDerWaalsContact O-SG 3.33Å; C115-P117 WeakPolarHBondContact O-CD 3.23Å; C115-L124 HydrophobicContact CB-CD1 4.4Å; C115-L124 WeakPolarHBondContact O-CD2 3.27Å
116D92.5Very high92Very high66 Ų6669.7 Ų69.735%0.35337%0.368SS..  trans-70.3114.5-176.3-175.5-10.1000111.4L118 L119 S122D116-L118 VanDerWaalsContact C-N 3.3Å; D116-L118 WeakPolarHBondContact OD1-CA 3.45Å; D116-L118 VanDerWaalsContact OD1-CB 3.3Å; D116-L118 WeakPolarHBondContact OD1-CB 3.06Å; D116-L118 PolarHBondContact OD1-N 3.35Å; D116-L119 HydrophobicContact CB-CD1 3.88Å; D116-L119 HydrophobicContact CB-CG 3.86Å; D116-S122 WeakPolarHBondContact O-CB 3.46Å; D116-S122 PolarHBondContact O-OG 2.73Å
117P94Very high92.1Very high8 Ų867.4 Ų67.45%0.05236%0.358CS..THydrogen-bonded Turntrans-74.4-20.1179.130-32.1000112.8L98 L102 C115 L119 S122 L124 Y176 Y271L98-P117 HydrophobicContact CB-CG 4.09Å; L98-P117 HydrophobicContact CD2-CB 3.74Å; L98-P117 HydrophobicContact CD2-CG 3.45Å; L98-P117 VanDerWaalsContact CD2-CG 3.45Å; L98-P117 HydrophobicContact CG-CG 4.39Å; L98-P117 WeakPolarHBondContact O-CD 3.37Å; L98-P117 WeakPolarHBondContact O-CG 3.31Å; L102-P117 VanDerWaalsContact CD1-CD 3.41Å; L102-P117 HydrophobicContact CD1-CG 3.79Å; C115-P117 WeakPolarHBondContact O-CD 3.23Å; P117-L119 VanDerWaalsContact C-N 3.29Å; P117-S122 WeakPolarHBondContact CA-OG 3.19Å; P117-L124 HydrophobicContact CB-CD2 4.14Å; P117-L124 HydrophobicContact CG-CD2 4.46Å; P117-Y176 HydrophobicContact CB-CD1 4.3Å; P117-Y176 HydrophobicContact CB-CE1 4.31Å; P117-Y176 HydrophobicContact CG-CE1 4.44Å; P117-Y271 HydrophobicContact CB-CE2 4.11Å; P117-Y271 VanDerWaalsContact O-CE2 3.29Å; P117-Y271 WeakPolarHBondContact O-CE2 3.43Å
118L95Very high92.2Very high36 Ų3662.3 Ų62.319%0.18834%0.339CS..THydrogen-bonded Turntrans-79.7-13.1-178.2-57.7177.4000112.3L98 V99 D116 L267 Y271L98-L118 HydrophobicContact CB-CD2 4.44Å; L98-L118 HydrophobicContact CD1-CD2 4.17Å; L98-L118 HydrophobicContact CD2-CD2 4.43Å; V99-L118 HydrophobicContact CG2-CD1 4.45Å; D116-L118 VanDerWaalsContact C-N 3.3Å; D116-L118 WeakPolarHBondContact OD1-CA 3.45Å; D116-L118 VanDerWaalsContact OD1-CB 3.3Å; D116-L118 WeakPolarHBondContact OD1-CB 3.06Å; D116-L118 PolarHBondContact OD1-N 3.35Å; L118-L267 HydrophobicContact CD1-CB 4.12Å; L118-L267 HydrophobicContact CD2-CB 4.45Å; L118-Y271 HydrophobicContact CD2-CD2 3.96Å; L118-Y271 HydrophobicContact CD2-CG 4.1Å
119L92.5Very high92.3Very high84 Ų8461.7 Ų61.744%0.4434%0.335SS..SBendtrans-71.1136174.1-67.1179000111.7D116 P117 Q121 S122D116-L119 HydrophobicContact CB-CD1 3.88Å; D116-L119 HydrophobicContact CB-CG 3.86Å; P117-L119 VanDerWaalsContact C-N 3.29Å; L119-Q121 PolarHBondContact O-N 3.17Å; L119-Q121 VanDerWaalsContact O-N 3.09Å; L119-S122 VanDerWaalsContact O-CB 3.23Å; L119-S122 WeakPolarHBondContact O-CB 3.45Å; L119-S122 PolarHBondContact O-N 3.14Å
120P86.6Confident92.4Very high119 Ų11959.2 Ų59.277%0.77332%0.323SS*.THydrogen-bonded Turntrans-59-27.9-178.6-24.732.9000114.8
121Q87.6Confident92.4Very high144 Ų14460.7 Ų60.767%0.67333%0.327SS*.THydrogen-bonded Turntrans-94.17.3179.3-59.777.526.800113.5L119 K123L119-Q121 PolarHBondContact O-N 3.17Å; L119-Q121 VanDerWaalsContact O-N 3.09Å; Q121-K123 PolarHBondContact O-N 2.86Å
122S93.3Very high92.4Very high20 Ų2059 Ų5914%0.1431%0.307CS..  trans-53.4128.1-172-170.30000112.6D116 P117 L119 L124 R125D116-S122 WeakPolarHBondContact O-CB 3.46Å; D116-S122 PolarHBondContact O-OG 2.73Å; P117-S122 WeakPolarHBondContact CA-OG 3.19Å; L119-S122 VanDerWaalsContact O-CB 3.23Å; L119-S122 WeakPolarHBondContact O-CB 3.45Å; L119-S122 PolarHBondContact O-N 3.14Å; S122-L124 PolarHBondContact OG-N 3.03Å; S122-R125 PolarHBondContact O-NH1 3.01Å; S122-R125 PolarHBondContact O-NH2 2.97Å
123K94.1Very high92.3Very high142 Ų14251.3 Ų51.362%0.61727%0.265SS*.  trans-97.22.8174.4-58.1-56.1-177.8-175.50112.1N109 V110 Q121 R125N109-K123 PolarHBondContact ND2-O 3.1Å; V110-K123 VanDerWaalsContact CG1-C 3.47Å; V110-K123 HydrophobicContact CG1-CB 3.81Å; V110-K123 WeakPolarHBondContact CG1-O 3.3Å; Q121-K123 PolarHBondContact O-N 2.86Å; K123-R125 PolarHBondContact O-N 2.76Å
124L96.5Very high92.2Very high3 Ų348.4 Ų48.42%0.01625%0.25CS..  trans-65.6125.9176.2-17072.8000110.4L102 N109 V110 C115 P117 S122 W126 Y176L102-L124 HydrophobicContact CD1-CD2 3.89Å; L102-L124 HydrophobicContact CD2-CD2 4.06Å; N109-L124 WeakPolarHBondContact OD1-CA 3.39Å; V110-L124 HydrophobicContact CG2-CD1 4.28Å; C115-L124 HydrophobicContact CB-CD1 4.4Å; C115-L124 WeakPolarHBondContact O-CD2 3.27Å; P117-L124 HydrophobicContact CB-CD2 4.14Å; P117-L124 HydrophobicContact CG-CD2 4.46Å; S122-L124 PolarHBondContact OG-N 3.03Å; L124-W126 WeakPolarHBondContact CD1-O 3.42Å; L124-Y176 HydrophobicContact CD2-CD2 3.67Å; L124-Y176 HydrophobicContact CD2-CE1 4.31Å; L124-Y176 HydrophobicContact CD2-CE2 3.28Å; L124-Y176 HydrophobicContact CD2-CG 4.33Å; L124-Y176 HydrophobicContact CG-CD2 3.78Å; L124-Y176 HydrophobicContact CG-CE2 3.79Å
125R96.3Very high92.4Very high74 Ų7449 Ų4928%0.27924%0.239SC..  trans-126.1-30.4178.8-61-59.6172.4-100.4-0.4111.3N109 S122 K123 N175 Y176 M178N109-R125 PolarHBondContact OD1-N 2.96Å; S122-R125 PolarHBondContact O-NH1 3.01Å; S122-R125 PolarHBondContact O-NH2 2.97Å; K123-R125 PolarHBondContact O-N 2.76Å; R125-N175 CarbonylContact O-C 3.58Å; R125-N175 WeakPolarHBondContact O-CA 3.31Å; R125-Y176 PolarHBondContact O-N 3.11Å; R125-M178 VanDerWaalsContact NE-CE 3.29Å
126W96.7Very high92.4Very high53 Ų5355.5 Ų55.520%0.20127%0.272CS..EExtended strand (participates in β ladder)trans-150.4152.6169.655-104.3000112.2S108 N109 L124 T128 W135 I173 V174S108-W126 VanDerWaalsContact CA-O 3.29Å; S108-W126 WeakPolarHBondContact CA-O 3.41Å; S108-W126 WeakPolarHBondContact CB-O 3.49Å; S108-W126 WeakPolarHBondContact O-CH2 3.48Å; N109-W126 VanDerWaalsContact CA-CZ2 3.48Å; N109-W126 HydrophobicContact CB-CD2 3.87Å; N109-W126 HydrophobicContact CB-CG 4.18Å; N109-W126 HydrophobicContact CB-CH2 4.37Å; N109-W126 HydrophobicContact CB-CZ2 3.65Å; N109-W126 PolarHBondContact N-O 3.3Å; N109-W126 PolarHBondContact OD1-N 3.03Å; N109-W126 VanDerWaalsContact OD1-N 3.11Å; N109-W126 PolarHBondContact OD1-O 3.07Å; L124-W126 WeakPolarHBondContact CD1-O 3.42Å; W126-T128 HydrophobicContact CE3-CG2 3.84Å; W126-T128 HydrophobicContact CZ3-CG2 4.07Å; W126-W135 HydrophobicContact CD2-CZ2 4.09Å; W126-W135 AromaticContact CE2-CZ2 3.85Å; W126-W135 AromaticContact CE2-NE1 3.95Å; W126-W135 HydrophobicContact CE3-CZ2 4.37Å; W126-W135 HydrophobicContact CH2-CZ2 4.34Å; W126-W135 AromaticContact CH2-NE1 3.21Å; W126-W135 AromaticContact CZ2-CD1 3.98Å; W126-W135 AromaticContact CZ2-CE2 3.72Å; W126-W135 HydrophobicContact CZ2-CZ2 4.02Å; W126-W135 AromaticContact CZ2-NE1 3.2Å; W126-W135 HydrophobicContact CZ3-CZ2 4.47Å; W126-W135 AromaticContact CZ3-NE1 3.95Å; W126-I173 HydrophobicContact CB-CG2 4.18Å; W126-V174 CarbonylContact C-O 3.52Å; W126-V174 WeakPolarHBondContact CA-O 3.43Å
127A96.6Very high92.1Very high0 Ų056.3 Ų56.30%028%0.279CS..EExtended strand (participates in β ladder)trans-132.2143.4167.200000109.2L102 R107 F129 I173 V174 Y176L102-A127 HydrophobicContact CD2-CB 3.88Å; R107-A127 CarbonylContact O-C 3.5Å; R107-A127 WeakPolarHBondContact O-CA 3.43Å; A127-F129 HydrophobicContact CB-CE2 4.16Å; A127-F129 HydrophobicContact CB-CZ 4.31Å; A127-I173 WeakPolarHBondContact O-CA 3.25Å; A127-V174 PolarHBondContact N-O 2.83Å; A127-V174 PolarHBondContact O-N 3.21Å; A127-Y176 HydrophobicContact CB-CE2 4.28Å
128T96.5Very high91.7Very high5 Ų562.4 Ų62.43%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-126145.5-177.563.50000112H106 R107 W126 H132 S172 I173H106-T128 WeakPolarHBondContact CA-O 3.25Å; H106-T128 WeakPolarHBondContact CB-O 3.47Å; R107-T128 PolarHBondContact N-O 2.81Å; R107-T128 PolarHBondContact O-N 3.39Å; R107-T128 PolarHBondContact O-OG1 2.92Å; W126-T128 HydrophobicContact CE3-CG2 3.84Å; W126-T128 HydrophobicContact CZ3-CG2 4.07Å; T128-H132 PolarHBondContact OG1-ND1 3.17Å; T128-S172 WeakPolarHBondContact CA-O 3.05Å; T128-S172 WeakPolarHBondContact CB-O 3.37Å; T128-I173 HydrophobicContact CG2-CB 4.42Å; T128-I173 HydrophobicContact CG2-CG1 3.99Å; T128-I173 HydrophobicContact CG2-CG2 4.18Å
129F96.7Very high91.4Very high0 Ų064.5 Ų64.50%032%0.319CS..EExtended strand (participates in β ladder)trans-134.7158.3-179.9-50.1-94.8000110.5F101 L104 H106 A127 S145 M147 P148 M151 A171 S172 V174F101-F129 HydrophobicContact CB-CE1 4.06Å; F101-F129 HydrophobicContact CB-CE2 4.25Å; F101-F129 HydrophobicContact CB-CZ 3.61Å; F101-F129 WeakPolarHBondContact O-CE1 3.36Å; F101-F129 WeakPolarHBondContact O-CZ 3.24Å; L104-F129 HydrophobicContact CB-CE1 4.39Å; H106-F129 HydrophobicContact CB-CD1 3.81Å; H106-F129 HydrophobicContact CB-CE1 3.43Å; H106-F129 VanDerWaalsContact CB-CE1 3.43Å; H106-F129 HydrophobicContact CB-CZ 3.91Å; A127-F129 HydrophobicContact CB-CE2 4.16Å; A127-F129 HydrophobicContact CB-CZ 4.31Å; F129-S145 WeakPolarHBondContact CA-OG 3.37Å; F129-M147 HydrophobicContact CB-SD 4.32Å; F129-P148 HydrophobicContact CB-CG 4.35Å; F129-P148 HydrophobicContact CD1-CG 3.98Å; F129-P148 HydrophobicContact CG-CG 4.08Å; F129-M151 HydrophobicContact CD2-CE 3.85Å; F129-M151 HydrophobicContact CD2-SD 4.42Å; F129-M151 HydrophobicContact CE2-CE 4.07Å; F129-A171 CarbonylContact O-C 3.56Å; F129-A171 WeakPolarHBondContact O-CA 3.47Å; F129-S172 WeakPolarHBondContact CB-OG 3.45Å; F129-S172 WeakPolarHBondContact CD2-OG 3.34Å; F129-S172 PolarHBondContact N-O 3.01Å; F129-S172 VanDerWaalsContact N-O 3.14Å; F129-S172 PolarHBondContact O-N 3.3Å; F129-V174 HydrophobicContact CE2-CG2 3.99Å
130G96.7Very high91.2Very high4 Ų461 Ų614%0.04130%0.3CS..EExtended strand (participates in β ladder)trans75.8-142.7-173.100000110.9H132 W144 S145 E170G130-H132 PolarHBondContact O-N 3.17Å; G130-W144 CarbonylContact O-C 3.58Å; G130-W144 WeakPolarHBondContact O-CA 3.34Å; G130-W144 WeakPolarHBondContact O-CB 3.41Å; G130-S145 WeakPolarHBondContact CA-O 3.44Å; G130-S145 PolarHBondContact N-O 2.88Å; G130-S145 PolarHBondContact N-OG 3.09Å; G130-S145 PolarHBondContact O-N 3.03Å; G130-E170 CarbonylContact C-O 3.5Å; G130-E170 WeakPolarHBondContact CA-O 3.28Å
131Y94.9Very high91Very high46 Ų4656.5 Ų56.518%0.1827%0.272CS..EExtended strand (participates in β ladder)trans-58.8128.6174-71.5-76.6000111.1Y140 S141 W144 E170 V284 D285Y131-Y140 WeakPolarHBondContact O-CD1 3.18Å; Y131-Y140 WeakPolarHBondContact O-CE1 3.31Å; Y131-S141 WeakPolarHBondContact CD1-O 3.17Å; Y131-W144 HydrophobicContact CD1-CB 4.33Å; Y131-W144 HydrophobicContact CD1-CE3 4.44Å; Y131-W144 HydrophobicContact CE1-CE3 4.08Å; Y131-E170 HydrophobicContact CD2-CB 3.79Å; Y131-E170 HydrophobicContact CE2-CB 3.92Å; Y131-E170 PolarHBondContact N-O 2.8Å; Y131-V284 HydrophobicContact CD2-CB 3.79Å; Y131-V284 HydrophobicContact CD2-CG1 4.2Å; Y131-V284 HydrophobicContact CD2-CG2 3.66Å; Y131-V284 HydrophobicContact CE2-CB 4.08Å; Y131-V284 HydrophobicContact CE2-CG1 4.43Å; Y131-V284 HydrophobicContact CE2-CG2 4.43Å; Y131-V284 HydrophobicContact CG-CG2 4.21Å; Y131-D285 PolarHBondContact OH-OD2 3.34Å
132H91.4Very high90.8Very high10 Ų1055.6 Ų55.65%0.04627%0.272CS..EExtended strand (participates in β ladder)trans-86.6126.2177.2-65.7-54.1000111.1T128 G130 S141 S143 S145T128-H132 PolarHBondContact OG1-ND1 3.17Å; G130-H132 PolarHBondContact O-N 3.17Å; H132-S141 PolarHBondContact O-N 3.22Å; H132-S141 PolarHBondContact O-OG 3.43Å; H132-S143 PolarHBondContact N-O 3.4Å; H132-S143 VanDerWaalsContact N-O 3.08Å; H132-S145 WeakPolarHBondContact NE2-CB 3.35Å; H132-S145 PolarHBondContact NE2-N 2.72Å
133H86.7Confident90.4Very high17 Ų1756.8 Ų56.88%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-73.1129.6171.7-174.1-97.5000110.2W135 Y140 S190H133-W135 AromaticContact CE1-CE3 3.82Å; H133-W135 AromaticContact ND1-CD2 3.6Å; H133-W135 AromaticContact ND1-CE3 3.49Å; H133-W135 AromaticContact ND1-CZ3 3.86Å; H133-Y140 HydrophobicContact CB-CD1 4.25Å; H133-Y140 HydrophobicContact CB-CE1 3.93Å; H133-S190 VanDerWaalsContact CD2-CB 3.49Å; H133-S190 WeakPolarHBondContact CD2-CB 3.26Å; H133-S190 WeakPolarHBondContact NE2-CB 3.34Å; H133-S190 PolarHBondContact NE2-OG 3.49Å
134D86Confident90.3Very high57 Ų5758.1 Ų58.131%0.30528%0.281SS..  trans-89.2114.8170179.6-52.4000108.5D136 T137 K138 V139D134-D136 VanDerWaalsContact C-N 3.3Å; D134-D136 PolarHBondContact O-N 3.28Å; D134-D136 PolarHBondContact OD1-N 3.19Å; D134-T137 VanDerWaalsContact CB-OG1 3.23Å; D134-T137 WeakPolarHBondContact CB-OG1 3.39Å; D134-T137 PolarHBondContact OD1-N 3.01Å; D134-T137 PolarHBondContact OD1-OG1 3.49Å; D134-K138 WeakPolarHBondContact O-CA 3.44Å; D134-K138 PolarHBondContact O-N 3.23Å; D134-V139 PolarHBondContact N-O 3.08Å
135W83.7Confident90.2Very high120 Ų12058.3 Ų58.346%0.45528%0.283SS..THydrogen-bonded Turntrans-71.9-22.8-172.5-62.8102000114W126 H133 I173W126-W135 HydrophobicContact CD2-CZ2 4.09Å; W126-W135 AromaticContact CE2-CZ2 3.85Å; W126-W135 AromaticContact CE2-NE1 3.95Å; W126-W135 HydrophobicContact CE3-CZ2 4.37Å; W126-W135 HydrophobicContact CH2-CZ2 4.34Å; W126-W135 AromaticContact CH2-NE1 3.21Å; W126-W135 AromaticContact CZ2-CD1 3.98Å; W126-W135 AromaticContact CZ2-CE2 3.72Å; W126-W135 HydrophobicContact CZ2-CZ2 4.02Å; W126-W135 AromaticContact CZ2-NE1 3.2Å; W126-W135 HydrophobicContact CZ3-CZ2 4.47Å; W126-W135 AromaticContact CZ3-NE1 3.95Å; H133-W135 AromaticContact CE1-CE3 3.82Å; H133-W135 AromaticContact ND1-CD2 3.6Å; H133-W135 AromaticContact ND1-CE3 3.49Å; H133-W135 AromaticContact ND1-CZ3 3.86Å; W135-I173 HydrophobicContact CH2-CD1 4.45Å
136D85.3Confident90.1Very high157 Ų15758.8 Ų58.884%0.8430%0.295SS*.THydrogen-bonded Turntrans-81.8-45.2-178.9-68.4-35000110.4D134D134-D136 VanDerWaalsContact C-N 3.3Å; D134-D136 PolarHBondContact O-N 3.28Å; D134-D136 PolarHBondContact OD1-N 3.19Å
137T87.2Confident90Very high83 Ų8357.8 Ų57.851%0.50929%0.293SS..THydrogen-bonded Turntrans-89.4-18-179600000113.2D134 V139D134-T137 VanDerWaalsContact CB-OG1 3.23Å; D134-T137 WeakPolarHBondContact CB-OG1 3.39Å; D134-T137 PolarHBondContact OD1-N 3.01Å; D134-T137 PolarHBondContact OD1-OG1 3.49Å; T137-V139 PolarHBondContact O-N 3.35Å; T137-V139 VanDerWaalsContact OG1-CG2 3.31Å; T137-V139 WeakPolarHBondContact OG1-CG2 3.3Å
138K86.2Confident90.1Very high136 Ų13658 Ų5859%0.59129%0.294SS*.  trans58.527.8-175.7-56.4-178.3-179.9177.90114.5D134 S190D134-K138 WeakPolarHBondContact O-CA 3.44Å; D134-K138 PolarHBondContact O-N 3.23Å; K138-S190 VanDerWaalsContact O-CB 3.25Å; K138-S190 WeakPolarHBondContact O-CB 3.32Å; K138-S190 PolarHBondContact O-OG 3.07Å
139V88Confident90.1Very high80 Ų8061 Ų6149%0.48532%0.316SS..SBendtrans-113.1153.6173.3-60.90000110.6D134 T137 S141D134-V139 PolarHBondContact N-O 3.08Å; T137-V139 PolarHBondContact O-N 3.35Å; T137-V139 VanDerWaalsContact OG1-CG2 3.31Å; T137-V139 WeakPolarHBondContact OG1-CG2 3.3Å; V139-S141 PolarHBondContact O-N 2.93Å
140Y87.3Confident90.2Very high10 Ų1063.2 Ų63.24%0.03933%0.326CS..EExtended strand (participates in β ladder)trans-71.2125.8165.8-76.8-76.3000109.8Y131 H133 A171 S190 E191 R282 V284Y131-Y140 WeakPolarHBondContact O-CD1 3.18Å; Y131-Y140 WeakPolarHBondContact O-CE1 3.31Å; H133-Y140 HydrophobicContact CB-CD1 4.25Å; H133-Y140 HydrophobicContact CB-CE1 3.93Å; Y140-A171 HydrophobicContact CD1-CB 4.29Å; Y140-A171 HydrophobicContact CE1-CB 3.48Å; Y140-A171 VanDerWaalsContact CE1-CB 3.48Å; Y140-S190 VanDerWaalsContact CD2-O 3.3Å; Y140-S190 WeakPolarHBondContact CD2-O 3.4Å; Y140-E191 HydrophobicContact CE2-CB 4.45Å; Y140-E191 HydrophobicContact CE2-CG 3.85Å; Y140-R282 WeakPolarHBondContact OH-CD 3.48Å; Y140-V284 HydrophobicContact CD1-CG2 4.12Å; Y140-V284 HydrophobicContact CD2-CB 4.46Å; Y140-V284 HydrophobicContact CD2-CG1 3.74Å; Y140-V284 HydrophobicContact CD2-CG2 3.9Å; Y140-V284 HydrophobicContact CE1-CG2 4.15Å; Y140-V284 HydrophobicContact CE2-CG1 4.49Å; Y140-V284 HydrophobicContact CE2-CG2 3.96Å; Y140-V284 HydrophobicContact CG-CG1 3.87Å; Y140-V284 HydrophobicContact CG-CG2 3.99Å
141S83.8Confident90.2Very high26 Ų2663 Ų6318%0.18232%0.324CS..EExtended strand (participates in β ladder)trans-73.1157.8172.969.30000110.7Y131 H132 V139 S143Y131-S141 WeakPolarHBondContact CD1-O 3.17Å; H132-S141 PolarHBondContact O-N 3.22Å; H132-S141 PolarHBondContact O-OG 3.43Å; V139-S141 PolarHBondContact O-N 2.93Å; S141-S143 PolarHBondContact O-N 3.09Å; S141-S143 VanDerWaalsContact O-N 3.1Å; S141-S143 PolarHBondContact OG-N 3.11Å; S141-S143 PolarHBondContact OG-O 3.03Å; S141-S143 PolarHBondContact OG-OG 2.8Å
142D82.5Confident90.3Very high125 Ų12561.9 Ų61.967%0.66832%0.321SS*.EExtended strand (participates in β ladder)trans-74.710169.2-59.6-31.6000112.4W144 R192D142-W144 WeakPolarHBondContact O-CZ3 3.45Å; D142-R192 IonicContact OD1-NH2 3.73Å; D142-R192 PolarHBondContact OD1-NH2 3.12Å; D142-R192 VanDerWaalsContact OD1-NH2 3.08Å
143S86Confident90.6Very high44 Ų4463.7 Ų63.731%0.30833%0.329SS..EExtended strand (participates in β ladder)trans-97.2129.7170.972.60000110.1R107 H132 S141R107-S143 PolarHBondContact NH2-OG 3.35Å; H132-S143 PolarHBondContact N-O 3.4Å; H132-S143 VanDerWaalsContact N-O 3.08Å; S141-S143 PolarHBondContact O-N 3.09Å; S141-S143 VanDerWaalsContact O-N 3.1Å; S141-S143 PolarHBondContact OG-N 3.11Å; S141-S143 PolarHBondContact OG-O 3.03Å; S141-S143 PolarHBondContact OG-OG 2.8Å
144W91.3Very high91.2Very high170 Ų17062.9 Ų62.964%0.64433%0.326SS*.EExtended strand (participates in β ladder)trans-134.7151.2179.463.785.3000111.9G130 Y131 D142G130-W144 CarbonylContact O-C 3.58Å; G130-W144 WeakPolarHBondContact O-CA 3.34Å; G130-W144 WeakPolarHBondContact O-CB 3.41Å; Y131-W144 HydrophobicContact CD1-CB 4.33Å; Y131-W144 HydrophobicContact CD1-CE3 4.44Å; Y131-W144 HydrophobicContact CE1-CE3 4.08Å; D142-W144 WeakPolarHBondContact O-CZ3 3.45Å
145S93.7Very high91.7Very high8 Ų860.1 Ų60.16%0.05631%0.311CS..PPolyproline II helixtrans-97.6163.5161.375.30000110.4P105 F129 G130 H132 M147P105-S145 WeakPolarHBondContact O-CB 3.46Å; P105-S145 PolarHBondContact O-OG 3.43Å; F129-S145 WeakPolarHBondContact CA-OG 3.37Å; G130-S145 WeakPolarHBondContact CA-O 3.44Å; G130-S145 PolarHBondContact N-O 2.88Å; G130-S145 PolarHBondContact N-OG 3.09Å; G130-S145 PolarHBondContact O-N 3.03Å; H132-S145 WeakPolarHBondContact NE2-CB 3.35Å; H132-S145 PolarHBondContact NE2-N 2.72Å; S145-M147 PolarHBondContact O-N 2.74Å
146P94Very high92.4Very high83 Ų8356.5 Ų56.554%0.53930%0.3SS..PPolyproline II helixtrans-57.3131.4172.3-23.735000111.1
147M96.2Very high92.9Very high32 Ų3249 Ų4916%0.15826%0.26CS..PPolyproline II helixtrans-73.9129.8170.6-178.863.181.800109.5F129 S145 S149 M151 I152 P169 A171F129-M147 HydrophobicContact CB-SD 4.32Å; S145-M147 PolarHBondContact O-N 2.74Å; M147-S149 PolarHBondContact O-N 3.31Å; M147-M151 HydrophobicContact SD-CB 4.07Å; M147-M151 HydrophobicContact SD-SD 3.92Å; M147-I152 HydrophobicContact CB-CD1 3.99Å; M147-I152 HydrophobicContact CB-CG1 4.31Å; M147-I152 HydrophobicContact CG-CD1 3.8Å; M147-I152 HydrophobicContact CG-CG1 3.57Å; M147-P169 HydrophobicContact CE-CB 4.03Å; M147-A171 VanDerWaalsContact CE-CA 3.48Å
148P97.8Very high93.4Very high4 Ų445 Ų453%0.02624%0.236CC..PPolyproline II helixtrans-58.1134.3174-24.934.2000111.9F101 L104 F129 E150 M151 I152F101-P148 HydrophobicContact CD1-CB 3.77Å; F101-P148 HydrophobicContact CD1-CG 3.85Å; F101-P148 HydrophobicContact CE1-CB 3.43Å; F101-P148 VanDerWaalsContact CE1-CB 3.43Å; F101-P148 HydrophobicContact CE1-CG 3.98Å; F101-P148 HydrophobicContact CG-CG 4.38Å; F101-P148 HydrophobicContact CZ-CB 4.1Å; L104-P148 HydrophobicContact CD1-CB 4.08Å; L104-P148 HydrophobicContact CD1-CG 3.79Å; F129-P148 HydrophobicContact CB-CG 4.35Å; F129-P148 HydrophobicContact CD1-CG 3.98Å; F129-P148 HydrophobicContact CG-CG 4.08Å; P148-E150 VanDerWaalsContact C-N 3.25Å; P148-E150 PolarHBondContact O-N 2.96Å; P148-M151 HydrophobicContact CB-CB 4.46Å; P148-M151 HydrophobicContact CB-CG 4.09Å; P148-M151 HydrophobicContact CB-SD 4.28Å; P148-M151 HydrophobicContact CG-CE 4.04Å; P148-M151 HydrophobicContact CG-CG 4.36Å; P148-M151 HydrophobicContact CG-SD 3.9Å; P148-M151 WeakPolarHBondContact O-CB 3.5Å; P148-M151 PolarHBondContact O-N 2.81Å; P148-M151 VanDerWaalsContact O-N 3.12Å; P148-I152 PolarHBondContact O-N 2.87Å
149S96.9Very high94Very high68 Ų6838.6 Ų38.648%0.47621%0.208SC..Hα-helixtrans-57-39.9-178.132.70000112.7M147 M151 I152 E153M147-S149 PolarHBondContact O-N 3.31Å; S149-M151 VanDerWaalsContact C-N 3.29Å; S149-M151 PolarHBondContact O-N 3.29Å; S149-I152 WeakPolarHBondContact O-CB 3.4Å; S149-I152 PolarHBondContact O-N 2.87Å; S149-I152 VanDerWaalsContact O-N 3.11Å; S149-E153 WeakPolarHBondContact O-CG 3.43Å; S149-E153 PolarHBondContact O-N 2.81Å
150E97.7Very high94.4Very high47 Ų4734.8 Ų34.822%0.2219%0.185CC..Hα-helixtrans-60.4-42-180-66.382.3168.300110.2W93 L96 F101 P148 I152 E153 L154W93-E150 HydrophobicContact CH2-CB 3.83Å; W93-E150 WeakPolarHBondContact CH2-O 3.35Å; W93-E150 HydrophobicContact CZ3-CB 4.29Å; L96-E150 HydrophobicContact CD1-CB 4.07Å; L96-E150 HydrophobicContact CD1-CG 3.93Å; F101-E150 HydrophobicContact CE1-CB 4.38Å; F101-E150 HydrophobicContact CZ-CB 4.19Å; P148-E150 VanDerWaalsContact C-N 3.25Å; P148-E150 PolarHBondContact O-N 2.96Å; E150-I152 VanDerWaalsContact C-N 3.35Å; E150-E153 PolarHBondContact O-N 3.42Å; E150-L154 WeakPolarHBondContact O-CB 3.35Å; E150-L154 PolarHBondContact O-N 3.33Å
151M98.1Very high94.9Very high0 Ų034.4 Ų34.40%018%0.184CC..Hα-helixtrans-65.7-38.5176.8-66.6-174.9-175.600111.7W93 F101 F129 M147 P148 S149 G155 S172 V174 L279 L281W93-M151 HydrophobicContact CZ3-CG 4.43Å; F101-M151 HydrophobicContact CD2-CE 3.33Å; F101-M151 HydrophobicContact CE1-CE 4.43Å; F101-M151 HydrophobicContact CE2-CE 3.22Å; F101-M151 HydrophobicContact CE2-CG 4.21Å; F101-M151 HydrophobicContact CG-CE 4.01Å; F101-M151 HydrophobicContact CZ-CE 3.81Å; F101-M151 HydrophobicContact CZ-CG 3.98Å; F129-M151 HydrophobicContact CD2-CE 3.85Å; F129-M151 HydrophobicContact CD2-SD 4.42Å; F129-M151 HydrophobicContact CE2-CE 4.07Å; M147-M151 HydrophobicContact SD-CB 4.07Å; M147-M151 HydrophobicContact SD-SD 3.92Å; P148-M151 HydrophobicContact CB-CB 4.46Å; P148-M151 HydrophobicContact CB-CG 4.09Å; P148-M151 HydrophobicContact CB-SD 4.28Å; P148-M151 HydrophobicContact CG-CE 4.04Å; P148-M151 HydrophobicContact CG-CG 4.36Å; P148-M151 HydrophobicContact CG-SD 3.9Å; P148-M151 WeakPolarHBondContact O-CB 3.5Å; P148-M151 PolarHBondContact O-N 2.81Å; P148-M151 VanDerWaalsContact O-N 3.12Å; S149-M151 VanDerWaalsContact C-N 3.29Å; S149-M151 PolarHBondContact O-N 3.29Å; M151-G155 PolarHBondContact O-N 2.92Å; M151-S172 VanDerWaalsContact SD-CB 3.55Å; M151-S172 PolarHBondContact SD-OG 3.01Å; M151-V174 HydrophobicContact CE-CG2 3.99Å; M151-L279 HydrophobicContact CE-CD1 3.51Å; M151-L279 HydrophobicContact CG-CD1 4.33Å; M151-L279 HydrophobicContact CG-CD2 4.34Å; M151-L279 HydrophobicContact SD-CD1 3.88Å; M151-L281 HydrophobicContact CB-CD2 3.88Å; M151-L281 HydrophobicContact CG-CD2 4.15Å; M151-L281 HydrophobicContact SD-CD2 4.31Å
152I97.5Very high95.5Very high23 Ų2334.7 Ų34.712%0.11818%0.183CC..Hα-helixtrans-63.2-49.9174.6-69.9161.5000110.5M147 P148 S149 E150 L154 G155 L156 R168M147-I152 HydrophobicContact CB-CD1 3.99Å; M147-I152 HydrophobicContact CB-CG1 4.31Å; M147-I152 HydrophobicContact CG-CD1 3.8Å; M147-I152 HydrophobicContact CG-CG1 3.57Å; P148-I152 PolarHBondContact O-N 2.87Å; S149-I152 WeakPolarHBondContact O-CB 3.4Å; S149-I152 PolarHBondContact O-N 2.87Å; S149-I152 VanDerWaalsContact O-N 3.11Å; E150-I152 VanDerWaalsContact C-N 3.35Å; I152-L154 VanDerWaalsContact C-N 3.32Å; I152-L154 PolarHBondContact O-N 2.92Å; I152-G155 PolarHBondContact O-N 2.93Å; I152-L156 HydrophobicContact CG2-CD1 3.72Å; I152-L156 HydrophobicContact CG2-CG 4.36Å; I152-L156 WeakPolarHBondContact O-CG 3.19Å; I152-L156 PolarHBondContact O-N 2.96Å; I152-R168 HydrophobicContact CG2-CG 4.04Å
153E97.2Very high96.2Very high47 Ų4731.4 Ų31.422%0.2218%0.178CC..Hα-helixtrans-61.1-41.9-179.6-69.3177.4159.600111.6K54 I58 S149 E150 L156 A157K54-E153 WeakPolarHBondContact CD-OE2 3.32Å; K54-E153 WeakPolarHBondContact CE-OE1 3.34Å; K54-E153 IonicContact NZ-OE1 2.98Å; K54-E153 PolarHBondContact NZ-OE1 2.93Å; K54-E153 IonicContact NZ-OE2 3.96Å; K54-E153 PolarHBondContact NZ-OE2 3.07Å; I58-E153 HydrophobicContact CD1-CB 3.94Å; I58-E153 VanDerWaalsContact CG2-OE2 3.27Å; I58-E153 WeakPolarHBondContact CG2-OE2 3.16Å; S149-E153 WeakPolarHBondContact O-CG 3.43Å; S149-E153 PolarHBondContact O-N 2.81Å; E150-E153 PolarHBondContact O-N 3.42Å; E153-L156 PolarHBondContact O-N 3.34Å; E153-A157 VanDerWaalsContact O-CB 3.32Å; E153-A157 WeakPolarHBondContact O-CB 3.21Å; E153-A157 PolarHBondContact O-N 3.32Å
154L98Very high96.7Very high0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-60.8-46.7174.5179.665.1000112.4L60 I85 W93 E150 I152 A157 I158 I201 L279 L281L60-L154 HydrophobicContact CD1-CD1 4.04Å; L60-L154 HydrophobicContact CD2-CD1 3.95Å; L60-L154 HydrophobicContact CG-CD1 4.24Å; I85-L154 HydrophobicContact CD1-CD1 4.36Å; W93-L154 HydrophobicContact CE3-CD2 4.49Å; W93-L154 HydrophobicContact CH2-CB 3.75Å; W93-L154 HydrophobicContact CH2-CD2 3.39Å; W93-L154 HydrophobicContact CH2-CG 4.08Å; W93-L154 HydrophobicContact CZ2-CB 3.77Å; W93-L154 HydrophobicContact CZ2-CD1 3.91Å; W93-L154 HydrophobicContact CZ2-CD2 3.56Å; W93-L154 HydrophobicContact CZ2-CG 3.95Å; W93-L154 HydrophobicContact CZ3-CD2 3.9Å; E150-L154 WeakPolarHBondContact O-CB 3.35Å; E150-L154 PolarHBondContact O-N 3.33Å; I152-L154 VanDerWaalsContact C-N 3.32Å; I152-L154 PolarHBondContact O-N 2.92Å; L154-A157 PolarHBondContact O-N 3.14Å; L154-I158 HydrophobicContact CD1-CD1 3.62Å; L154-I158 HydrophobicContact CD1-CG1 4.4Å; L154-I158 HydrophobicContact CG-CD1 4.04Å; L154-I158 WeakPolarHBondContact O-CG1 3.35Å; L154-I158 PolarHBondContact O-N 2.85Å; L154-I201 HydrophobicContact CD1-CD1 3.67Å; L154-I201 HydrophobicContact CD2-CD1 3.23Å; L154-I201 HydrophobicContact CD2-CG1 4.26Å; L154-I201 HydrophobicContact CG-CD1 3.85Å; L154-L279 HydrophobicContact CD2-CD2 3.91Å; L154-L281 HydrophobicContact CB-CD1 4.38Å; L154-L281 HydrophobicContact CD2-CD1 3.85Å; L154-L281 HydrophobicContact CG-CD1 4.03Å
155G97.9Very high96.7Very high0 Ų028.3 Ų28.30%017%0.171CC..Hα-helixtrans-62-45.7177.400000112.3M151 I152 G159 Y167M151-G155 PolarHBondContact O-N 2.92Å; I152-G155 PolarHBondContact O-N 2.93Å; G155-G159 WeakPolarHBondContact O-CA 3.13Å; G155-G159 PolarHBondContact O-N 2.85Å; G155-Y167 WeakPolarHBondContact O-CD1 3.38Å
156L97.1Very high96.6Very high43 Ų4331.6 Ų31.623%0.22520%0.199CC..Hα-helixtrans-61.8-44176.5-70.8166.6000111.6I49 V50 I152 E153 S160 Y167I49-L156 HydrophobicContact CD1-CB 4.15Å; I49-L156 HydrophobicContact CD1-CD2 3.84Å; I49-L156 HydrophobicContact CG1-CB 4.47Å; V50-L156 HydrophobicContact CG2-CB 4.08Å; I152-L156 HydrophobicContact CG2-CD1 3.72Å; I152-L156 HydrophobicContact CG2-CG 4.36Å; I152-L156 WeakPolarHBondContact O-CG 3.19Å; I152-L156 PolarHBondContact O-N 2.96Å; E153-L156 PolarHBondContact O-N 3.34Å; L156-S160 WeakPolarHBondContact O-CB 3.49Å; L156-S160 PolarHBondContact O-N 3.01Å; L156-S160 VanDerWaalsContact O-N 3.11Å; L156-S160 PolarHBondContact O-OG 2.78Å; L156-Y167 WeakPolarHBondContact CD2-O 3.21Å
157A97.4Very high96.7Very high0 Ų027.7 Ų27.70%017%0.173CC..Hα-helixtrans-60.4-52.3178.300000111.6V50 L55 L60 E153 L154 S160 T161V50-A157 HydrophobicContact CB-CB 4.1Å; V50-A157 HydrophobicContact CG2-CB 3.87Å; L55-A157 HydrophobicContact CD2-CB 3.54Å; L60-A157 HydrophobicContact CD1-CB 3.68Å; E153-A157 VanDerWaalsContact O-CB 3.32Å; E153-A157 WeakPolarHBondContact O-CB 3.21Å; E153-A157 PolarHBondContact O-N 3.32Å; L154-A157 PolarHBondContact O-N 3.14Å; A157-S160 PolarHBondContact O-OG 2.85Å; A157-T161 VanDerWaalsContact O-CG2 3.31Å; A157-T161 WeakPolarHBondContact O-CG2 3.15Å
158I97.8Very high96.7Very high0 Ų032.9 Ų32.90%019%0.191CC..Hα-helixtrans-74.1-48.1-176.4-63.3166.4000110.6W67 I81 L154 S160 T161 L162 I199 I201 V230W67-I158 HydrophobicContact CZ3-CG1 4.24Å; I81-I158 HydrophobicContact CD1-CG2 4.3Å; L154-I158 HydrophobicContact CD1-CD1 3.62Å; L154-I158 HydrophobicContact CD1-CG1 4.4Å; L154-I158 HydrophobicContact CG-CD1 4.04Å; L154-I158 WeakPolarHBondContact O-CG1 3.35Å; L154-I158 PolarHBondContact O-N 2.85Å; I158-S160 VanDerWaalsContact C-N 3.34Å; I158-S160 PolarHBondContact O-N 2.81Å; I158-T161 PolarHBondContact O-N 3.18Å; I158-T161 PolarHBondContact O-OG1 2.76Å; I158-L162 HydrophobicContact CG2-CD1 3.65Å; I158-L162 WeakPolarHBondContact O-CD1 3.45Å; I158-L162 WeakPolarHBondContact O-CG 3.48Å; I158-L162 PolarHBondContact O-N 2.92Å; I158-I199 HydrophobicContact CB-CD1 4.18Å; I158-I199 HydrophobicContact CD1-CG2 4.07Å; I158-I199 HydrophobicContact CG2-CD1 3.91Å; I158-I199 HydrophobicContact CG2-CG2 4.11Å; I158-I201 HydrophobicContact CD1-CD1 4.33Å; I158-V230 HydrophobicContact CD1-CG1 4.04Å; I158-V230 HydrophobicContact CD1-CG2 4.22Å; I158-V230 HydrophobicContact CG2-CG1 4.35Å
159G97.7Very high96.7Very high0 Ų032.8 Ų32.80%019%0.19CC..Hα-helixtrans-58.2-42.7-177.400000113.1G155 T161 L162 G163 Y164G155-G159 WeakPolarHBondContact O-CA 3.13Å; G155-G159 PolarHBondContact O-N 2.85Å; G159-T161 PolarHBondContact O-N 3.28Å; G159-L162 WeakPolarHBondContact O-CB 3.48Å; G159-L162 PolarHBondContact O-N 2.8Å; G159-L162 VanDerWaalsContact O-N 3.08Å; G159-G163 PolarHBondContact O-N 2.94Å; G159-Y164 CarbonylContact C-O 3.59Å; G159-Y164 VanDerWaalsContact C-O 3.3Å; G159-Y164 CarbonylContact O-C 3.57Å; G159-Y164 WeakPolarHBondContact O-CA 3.48Å; G159-Y164 PolarHBondContact O-N 2.8Å
160S97.6Very high96.7Very high0 Ų032.1 Ų32.10%018%0.18CC..Hα-helixtrans-64-38.3179.161.90000113.1A47 C48 I49 L156 A157 I158 L162 G163 Y164A47-S160 VanDerWaalsContact O-CB 3.3Å; A47-S160 WeakPolarHBondContact O-CB 3.28Å; C48-S160 WeakPolarHBondContact CA-OG 3.24Å; I49-S160 PolarHBondContact N-OG 3.38Å; L156-S160 WeakPolarHBondContact O-CB 3.49Å; L156-S160 PolarHBondContact O-N 3.01Å; L156-S160 VanDerWaalsContact O-N 3.11Å; L156-S160 PolarHBondContact O-OG 2.78Å; A157-S160 PolarHBondContact O-OG 2.85Å; I158-S160 VanDerWaalsContact C-N 3.34Å; I158-S160 PolarHBondContact O-N 2.81Å; S160-L162 PolarHBondContact O-N 2.89Å; S160-G163 PolarHBondContact O-N 2.83Å; S160-Y164 PolarHBondContact N-O 2.89Å
161T97.6Very high96.7Very high3 Ų329.9 Ų29.92%0.01817%0.17CC..Hα-helixtrans-66.8-19.1174.8700000113.9N44 C48 V64 W67 A157 I158 G159N44-T161 PolarHBondContact N-O 3.18Å; C48-T161 HydrophobicContact CB-CG2 3.87Å; V64-T161 HydrophobicContact CG1-CG2 3.8Å; V64-T161 HydrophobicContact CG2-CG2 4.4Å; W67-T161 HydrophobicContact CZ3-CG2 4.01Å; A157-T161 VanDerWaalsContact O-CG2 3.31Å; A157-T161 WeakPolarHBondContact O-CG2 3.15Å; I158-T161 PolarHBondContact O-N 3.18Å; I158-T161 PolarHBondContact O-OG1 2.76Å; G159-T161 PolarHBondContact O-N 3.28Å
162L96.6Very high96.7Very high32 Ų3230 Ų3017%0.16817%0.17CC..THydrogen-bonded Turntrans-96.33179-64.7161000113L43 I79 I81 I158 G159 S160 Y164 V232L43-L162 HydrophobicContact CD2-CD2 3.64Å; L43-L162 HydrophobicContact CD2-CG 4.41Å; I79-L162 HydrophobicContact CD1-CD2 3.75Å; I81-L162 HydrophobicContact CD1-CD2 4.26Å; I158-L162 HydrophobicContact CG2-CD1 3.65Å; I158-L162 WeakPolarHBondContact O-CD1 3.45Å; I158-L162 WeakPolarHBondContact O-CG 3.48Å; I158-L162 PolarHBondContact O-N 2.92Å; G159-L162 WeakPolarHBondContact O-CB 3.48Å; G159-L162 PolarHBondContact O-N 2.8Å; G159-L162 VanDerWaalsContact O-N 3.08Å; S160-L162 PolarHBondContact O-N 2.89Å; L162-Y164 HydrophobicContact CB-CD2 3.92Å; L162-Y164 HydrophobicContact CB-CE2 4.27Å; L162-V232 HydrophobicContact CD1-CB 4.46Å; L162-V232 HydrophobicContact CD1-CG1 3.99Å; L162-V232 HydrophobicContact CD1-CG2 3.76Å
163G95.8Very high96.6Very high55 Ų5529.3 Ų29.357%0.56717%0.167SC*.THydrogen-bonded Turntrans88.415-17800000114.8G159 S160 P165G159-G163 PolarHBondContact O-N 2.94Å; S160-G163 PolarHBondContact O-N 2.83Å; G163-P165 WeakPolarHBondContact O-CD 3.46Å
164Y96.4Very high96.7Very high67 Ų6727 Ų2726%0.26316%0.156SC..  trans-113.470.9173.9-55.4-94.6000110.6G159 S160 L162 A166 Y167 P197G159-Y164 CarbonylContact C-O 3.59Å; G159-Y164 VanDerWaalsContact C-O 3.3Å; G159-Y164 CarbonylContact O-C 3.57Å; G159-Y164 WeakPolarHBondContact O-CA 3.48Å; G159-Y164 PolarHBondContact O-N 2.8Å; S160-Y164 PolarHBondContact N-O 2.89Å; L162-Y164 HydrophobicContact CB-CD2 3.92Å; L162-Y164 HydrophobicContact CB-CE2 4.27Å; Y164-A166 PolarHBondContact O-N 3.18Å; Y164-Y167 WeakPolarHBondContact O-CB 3.46Å; Y164-Y167 PolarHBondContact O-N 3.21Å; Y164-P197 HydrophobicContact CD2-CG 4.1Å; Y164-P197 HydrophobicContact CE2-CG 4.17Å; Y164-P197 HydrophobicContact CG-CG 4.3Å
165P92.7Very high96.7Very high82 Ų8228 Ų2853%0.53216%0.161SC..THydrogen-bonded Turntrans-65-22.5-174.727.6-36.3000113.7G163G163-P165 WeakPolarHBondContact O-CD 3.46Å
166A91.1Very high96.7Very high78 Ų7828.2 Ų28.265%0.64516%0.162SC*.THydrogen-bonded Turntrans-930.5176.200000113.4Y164 R168Y164-A166 PolarHBondContact O-N 3.18Å; A166-R168 PolarHBondContact O-N 3.27Å; A166-R168 VanDerWaalsContact O-N 3.09Å
167Y96.5Very high96.8Very high1 Ų127.3 Ų27.30%0.00416%0.156CC..  trans-65114.6-177.7178.4-95.1000110.7G155 L156 Y164 P169 H196 P197 I199 L281 Q283G155-Y167 WeakPolarHBondContact O-CD1 3.38Å; L156-Y167 WeakPolarHBondContact CD2-O 3.21Å; Y164-Y167 WeakPolarHBondContact O-CB 3.46Å; Y164-Y167 PolarHBondContact O-N 3.21Å; Y167-P169 HydrophobicContact CE1-CG 3.87Å; Y167-H196 HydrophobicContact CD2-CB 4.11Å; Y167-H196 HydrophobicContact CE2-CB 4.19Å; Y167-P197 HydrophobicContact CD2-CG 4.02Å; Y167-P197 HydrophobicContact CE2-CG 3.98Å; Y167-P197 VanDerWaalsContact CE2-O 3.23Å; Y167-P197 WeakPolarHBondContact CE2-O 3.32Å; Y167-P197 PolarHBondContact OH-O 3.46Å; Y167-I199 HydrophobicContact CD1-CD1 3.95Å; Y167-I199 HydrophobicContact CE1-CD1 3.47Å; Y167-I199 VanDerWaalsContact CE1-CD1 3.47Å; Y167-I199 HydrophobicContact CE1-CG1 4.19Å; Y167-L281 PolarHBondContact OH-O 3.34Å; Y167-Q283 VanDerWaalsContact CA-OE1 3.3Å; Y167-Q283 HydrophobicContact CD2-CB 4.1Å; Y167-Q283 HydrophobicContact CE2-CB 3.86Å
168R95.4Very high96.7Very high140 Ų14029.9 Ų29.953%0.52817%0.168SC..  trans-128.3121.2177-173.9178.6-178.2-176.3-0.2108.9I152 A166 E170 Q283I152-R168 HydrophobicContact CG2-CG 4.04Å; A166-R168 PolarHBondContact O-N 3.27Å; A166-R168 VanDerWaalsContact O-N 3.09Å; R168-E170 PolarHBondContact O-N 3.45Å; R168-Q283 WeakPolarHBondContact O-CB 3.2Å; R168-Q283 VanDerWaalsContact O-CG 3.31Å; R168-Q283 WeakPolarHBondContact O-CG 3.42Å
169P97.4Very high96.6Very high2 Ų233.4 Ų33.41%0.01319%0.187CC..  trans-60128.4173.4-25.335000111.5M147 Y167 L281 R282M147-P169 HydrophobicContact CE-CB 4.03Å; Y167-P169 HydrophobicContact CE1-CG 3.87Å; P169-L281 HydrophobicContact CB-CB 4.09Å; P169-L281 HydrophobicContact CB-CD2 4.29Å; P169-L281 HydrophobicContact CG-CB 3.86Å; P169-L281 HydrophobicContact CG-CD1 3.94Å; P169-L281 HydrophobicContact CG-CD2 4.31Å; P169-L281 HydrophobicContact CG-CG 4.26Å; P169-R282 CarbonylContact C-O 3.49Å; P169-R282 WeakPolarHBondContact CA-O 3.41Å
170E97.1Very high96.5Very high54 Ų5439.5 Ų39.525%0.25222%0.22SC..SBendtrans-117.4-17.5176.5-62.8175.2146.400111.7G130 Y131 R168 R282 Q283 V284 D285G130-E170 CarbonylContact C-O 3.5Å; G130-E170 WeakPolarHBondContact CA-O 3.28Å; Y131-E170 HydrophobicContact CD2-CB 3.79Å; Y131-E170 HydrophobicContact CE2-CB 3.92Å; Y131-E170 PolarHBondContact N-O 2.8Å; R168-E170 PolarHBondContact O-N 3.45Å; E170-R282 PolarHBondContact N-O 3.25Å; E170-Q283 HydrophobicContact CG-CG 4.2Å; E170-V284 HydrophobicContact CB-CB 4.43Å; E170-V284 HydrophobicContact CB-CG2 4.28Å; E170-V284 WeakPolarHBondContact OE2-CA 3.48Å; E170-V284 PolarHBondContact OE2-N 2.46Å; E170-D285 PolarHBondContact OE2-N 3.29Å
171A97.4Very high96.5Very high1 Ų140.5 Ų40.51%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-136.3147.7167.200000110.4F129 Y140 M147 R282 V284F129-A171 CarbonylContact O-C 3.56Å; F129-A171 WeakPolarHBondContact O-CA 3.47Å; Y140-A171 HydrophobicContact CD1-CB 4.29Å; Y140-A171 HydrophobicContact CE1-CB 3.48Å; Y140-A171 VanDerWaalsContact CE1-CB 3.48Å; M147-A171 VanDerWaalsContact CE-CA 3.48Å; A171-R282 HydrophobicContact CB-CB 4.23Å; A171-R282 PolarHBondContact N-O 3.13Å; A171-R282 WeakPolarHBondContact O-CB 3.44Å; A171-R282 PolarHBondContact O-N 3.39Å; A171-V284 HydrophobicContact CB-CG2 3.65Å
172S97.6Very high96.5Very high1 Ų142.6 Ų42.61%0.00724%0.239CC..EExtended strand (participates in β ladder)trans-142.9153.9174.172.40000112T128 F129 M151 N280T128-S172 WeakPolarHBondContact CA-O 3.05Å; T128-S172 WeakPolarHBondContact CB-O 3.37Å; F129-S172 WeakPolarHBondContact CB-OG 3.45Å; F129-S172 WeakPolarHBondContact CD2-OG 3.34Å; F129-S172 PolarHBondContact N-O 3.01Å; F129-S172 VanDerWaalsContact N-O 3.14Å; F129-S172 PolarHBondContact O-N 3.3Å; M151-S172 VanDerWaalsContact SD-CB 3.55Å; M151-S172 PolarHBondContact SD-OG 3.01Å; S172-N280 CarbonylContact C-O 3.49Å; S172-N280 WeakPolarHBondContact CA-O 3.43Å; S172-N280 WeakPolarHBondContact CB-O 3.45Å
173I97.4Very high96.5Very high9 Ų944.9 Ų44.95%0.04625%0.248CC..EExtended strand (participates in β ladder)trans-133.9116.3176.9-47.1-178.7000108.6W126 A127 T128 W135 N175 N280W126-I173 HydrophobicContact CB-CG2 4.18Å; A127-I173 WeakPolarHBondContact O-CA 3.25Å; T128-I173 HydrophobicContact CG2-CB 4.42Å; T128-I173 HydrophobicContact CG2-CG1 3.99Å; T128-I173 HydrophobicContact CG2-CG2 4.18Å; W135-I173 HydrophobicContact CH2-CD1 4.45Å; I173-N175 WeakPolarHBondContact CG2-ND2 3.44Å; I173-N280 PolarHBondContact N-O 3.27Å; I173-N280 PolarHBondContact O-N 3.32Å; I173-N280 PolarHBondContact O-ND2 3.29Å
174V98.4Very high96.5Very high0 Ų046.1 Ų46.10%025%0.247CC..EExtended strand (participates in β ladder)trans-90.3115.7165.7-173.70000107.5C97 W126 A127 F129 M151 Y176 I277 N278 L279C97-V174 HydrophobicContact CB-CG1 3.99Å; W126-V174 CarbonylContact C-O 3.52Å; W126-V174 WeakPolarHBondContact CA-O 3.43Å; A127-V174 PolarHBondContact N-O 2.83Å; A127-V174 PolarHBondContact O-N 3.21Å; F129-V174 HydrophobicContact CE2-CG2 3.99Å; M151-V174 HydrophobicContact CE-CG2 3.99Å; V174-Y176 HydrophobicContact CB-CE2 4.13Å; V174-Y176 HydrophobicContact CG1-CD1 4.48Å; V174-Y176 HydrophobicContact CG1-CD2 4.43Å; V174-Y176 HydrophobicContact CG1-CE1 3.8Å; V174-Y176 HydrophobicContact CG1-CE2 3.73Å; V174-Y176 WeakPolarHBondContact CG1-OH 3.13Å; V174-I277 HydrophobicContact CG1-CG2 3.54Å; V174-N278 CarbonylContact C-O 3.58Å; V174-N278 WeakPolarHBondContact CA-O 3.47Å; V174-L279 HydrophobicContact CG2-CD1 3.86Å
175N98.3Very high96.6Very high21 Ų2144.1 Ų44.111%0.11224%0.242CC..EExtended strand (participates in β ladder)trans-103.2133.5175.5-70.8-74.8000110.2R125 I173 Y177 I277 N278 N280R125-N175 CarbonylContact O-C 3.58Å; R125-N175 WeakPolarHBondContact O-CA 3.31Å; I173-N175 WeakPolarHBondContact CG2-ND2 3.44Å; N175-Y177 HydrophobicContact CB-CD2 4.13Å; N175-Y177 HydrophobicContact CB-CE2 3.36Å; N175-I277 CarbonylContact O-C 3.3Å; N175-I277 VanDerWaalsContact O-CA 3.25Å; N175-I277 WeakPolarHBondContact O-CA 3.43Å; N175-N278 HydrophobicContact CB-CB 4.44Å; N175-N278 PolarHBondContact N-O 2.93Å; N175-N278 PolarHBondContact O-N 3.34Å; N175-N280 PolarHBondContact ND2-ND2 3.09Å; N175-N280 VanDerWaalsContact ND2-ND2 3.14Å
176Y98.2Very high96.8Very high4 Ų442.2 Ų42.22%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-112.9108.6-179.4-55-88.8000109.7C97 L98 P117 L124 R125 A127 V174 Y271 I277C97-Y176 PolarHBondContact O-OH 2.71Å; L98-Y176 HydrophobicContact CD2-CD1 4.16Å; L98-Y176 HydrophobicContact CD2-CE1 3.91Å; P117-Y176 HydrophobicContact CB-CD1 4.3Å; P117-Y176 HydrophobicContact CB-CE1 4.31Å; P117-Y176 HydrophobicContact CG-CE1 4.44Å; L124-Y176 HydrophobicContact CD2-CD2 3.67Å; L124-Y176 HydrophobicContact CD2-CE1 4.31Å; L124-Y176 HydrophobicContact CD2-CE2 3.28Å; L124-Y176 HydrophobicContact CD2-CG 4.33Å; L124-Y176 HydrophobicContact CG-CD2 3.78Å; L124-Y176 HydrophobicContact CG-CE2 3.79Å; R125-Y176 PolarHBondContact O-N 3.11Å; A127-Y176 HydrophobicContact CB-CE2 4.28Å; V174-Y176 HydrophobicContact CB-CE2 4.13Å; V174-Y176 HydrophobicContact CG1-CD1 4.48Å; V174-Y176 HydrophobicContact CG1-CD2 4.43Å; V174-Y176 HydrophobicContact CG1-CE1 3.8Å; V174-Y176 HydrophobicContact CG1-CE2 3.73Å; V174-Y176 WeakPolarHBondContact CG1-OH 3.13Å; Y176-Y271 WeakPolarHBondContact CB-OH 3.38Å; Y176-Y271 WeakPolarHBondContact CD1-OH 3.24Å; Y176-I277 HydrophobicContact CD1-CG1 4.19Å
177Y97.9Very high97Very high23 Ų2340.1 Ų40.19%0.0921%0.205CC..EExtended strand (participates in β ladder)trans-107130.5-175.7-60.1-85000111.7N175 F183 I247 H275 R276 N278N175-Y177 HydrophobicContact CB-CD2 4.13Å; N175-Y177 HydrophobicContact CB-CE2 3.36Å; Y177-F183 HydrophobicContact CE1-CB 4.5Å; Y177-I247 HydrophobicContact CD1-CD1 4.4Å; Y177-I247 HydrophobicContact CG-CD1 4.1Å; Y177-I247 HydrophobicContact CG-CG1 4.48Å; Y177-H275 WeakPolarHBondContact O-CA 3.35Å; Y177-H275 WeakPolarHBondContact O-CB 3.19Å; Y177-R276 HydrophobicContact CD2-CG 4.42Å; Y177-R276 PolarHBondContact N-O 2.97Å; Y177-R276 PolarHBondContact O-N 3.36Å; Y177-N278 HydrophobicContact CE2-CB 4.16Å
178M96.5Very high97Very high54 Ų5441.3 Ų41.327%0.26621%0.212SC..EExtended strand (participates in β ladder)trans-83163.4165.3-62.2172.1-69.200110.6R125 N180 S181 I247R125-M178 VanDerWaalsContact NE-CE 3.29Å; M178-N180 WeakPolarHBondContact CB-OD1 3.29Å; M178-N180 PolarHBondContact O-N 2.94Å; M178-N180 VanDerWaalsContact O-N 3.09Å; M178-S181 PolarHBondContact N-OG 3.12Å; M178-S181 WeakPolarHBondContact O-CB 3.48Å; M178-S181 PolarHBondContact O-N 3.35Å; M178-S181 PolarHBondContact O-OG 3.32Å; M178-I247 WeakPolarHBondContact O-CG1 3.43Å
179L95.8Very high97Very high74 Ų7439.2 Ų39.239%0.38721%0.211SC..THydrogen-bonded Turntrans-56.1-29.3178.8-66.6-179.6000114.5S181 Q205 I247 K249 K274L179-S181 VanDerWaalsContact C-N 3.34Å; L179-Q205 HydrophobicContact CD2-CB 4.39Å; L179-Q205 HydrophobicContact CD2-CG 4.21Å; L179-I247 HydrophobicContact CD2-CG2 3.98Å; L179-K249 HydrophobicContact CD1-CB 4.44Å; L179-K249 HydrophobicContact CD2-CB 4.21Å; L179-K274 WeakPolarHBondContact CG-O 3.39Å
180N94.9Very high96.8Very high129 Ų12939.9 Ų39.969%0.6922%0.216SC*.THydrogen-bonded Turntrans-90.24.4177.568.2-9.4000113.9M178M178-N180 WeakPolarHBondContact CB-OD1 3.29Å; M178-N180 PolarHBondContact O-N 2.94Å; M178-N180 VanDerWaalsContact O-N 3.09Å
181S97Very high96.7Very high20 Ų2037.7 Ų37.714%0.1421%0.206CC..  trans-73.1149.2-178.4-58.50000111.2M178 L179M178-S181 PolarHBondContact N-OG 3.12Å; M178-S181 WeakPolarHBondContact O-CB 3.48Å; M178-S181 PolarHBondContact O-N 3.35Å; M178-S181 PolarHBondContact O-OG 3.32Å; L179-S181 VanDerWaalsContact C-N 3.34Å
182T97.4Very high96.5Very high48 Ų4843.5 Ų43.529%0.29423%0.227SC..  trans-143.9144.8177.9-167.20000107.7F12 V244 P245F12-T182 WeakPolarHBondContact CZ-OG1 3.49Å; T182-V244 CarbonylContact C-O 3.6Å; T182-V244 WeakPolarHBondContact CA-O 3.48Å; T182-V244 PolarHBondContact OG1-O 2.76Å; T182-P245 WeakPolarHBondContact CB-O 3.5Å; T182-P245 PolarHBondContact OG1-O 3.31Å
183F97.4Very high96.3Very high80 Ų8045.3 Ų45.335%0.35124%0.237SC..EExtended strand (participates in β ladder)trans-126.5118.1177.9-153-112.6000109.2F12 Y177 H186 A243 V244F12-F183 WeakPolarHBondContact CE2-O 3.41Å; Y177-F183 HydrophobicContact CE1-CB 4.5Å; F183-H186 AromaticContact CD1-CE1 3.32Å; F183-H186 WeakPolarHBondContact CD1-CE1 3.39Å; F183-H186 AromaticContact CD1-ND1 3.6Å; F183-H186 AromaticContact CE1-CD2 3.98Å; F183-H186 AromaticContact CE1-CE1 3.18Å; F183-H186 WeakPolarHBondContact CE1-CE1 3.36Å; F183-H186 AromaticContact CE1-ND1 3.52Å; F183-H186 AromaticContact CE1-NE2 3.43Å; F183-H186 WeakPolarHBondContact CE1-NE2 3.4Å; F183-A243 WeakPolarHBondContact O-CB 3.27Å; F183-V244 HydrophobicContact CB-CB 3.92Å; F183-V244 HydrophobicContact CB-CG2 4.43Å; F183-V244 PolarHBondContact N-O 3.39Å; F183-V244 PolarHBondContact O-N 2.96Å
184C96.4Very high96.2Very high81 Ų8147.6 Ų47.655%0.54725%0.249SC..EExtended strand (participates in β ladder)trans-68.9161.1-170.3-71.60000112.8H186C184-H186 PolarHBondContact O-N 3.27Å; C184-H186 PolarHBondContact O-ND1 3.14Å
185P97.3Very high96Very high25 Ų2554 Ų5416%0.16228%0.283CS..EExtended strand (participates in β ladder)trans-56.7120.4174-23.133.1000112.6F8 F12 H242 A243F8-P185 HydrophobicContact CD1-CB 3.78Å; F8-P185 HydrophobicContact CD1-CG 3.61Å; F8-P185 HydrophobicContact CE1-CB 3.67Å; F8-P185 HydrophobicContact CE1-CG 3.58Å; F8-P185 HydrophobicContact CZ-CB 4.36Å; F12-P185 HydrophobicContact CD2-CG 4.18Å; F12-P185 HydrophobicContact CG-CG 4.31Å; P185-H242 WeakPolarHBondContact CA-O 3.39Å; P185-A243 HydrophobicContact CB-CB 4.47Å; P185-A243 HydrophobicContact CG-CB 4.16Å
186H96.7Very high96Very high42 Ų4254.6 Ų54.619%0.19429%0.285CS..EExtended strand (participates in β ladder)trans-149.7175.2-178.969.7-64.9000110.8F183 C184 D188 Y241 H242F183-H186 AromaticContact CD1-CE1 3.32Å; F183-H186 WeakPolarHBondContact CD1-CE1 3.39Å; F183-H186 AromaticContact CD1-ND1 3.6Å; F183-H186 AromaticContact CE1-CD2 3.98Å; F183-H186 AromaticContact CE1-CE1 3.18Å; F183-H186 WeakPolarHBondContact CE1-CE1 3.36Å; F183-H186 AromaticContact CE1-ND1 3.52Å; F183-H186 AromaticContact CE1-NE2 3.43Å; F183-H186 WeakPolarHBondContact CE1-NE2 3.4Å; C184-H186 PolarHBondContact O-N 3.27Å; C184-H186 PolarHBondContact O-ND1 3.14Å; H186-D188 IonicContact CD2-OD1 3.75Å; H186-D188 IonicContact NE2-OD1 3.85Å; H186-Y241 WeakPolarHBondContact O-CA 3.47Å; H186-H242 AromaticContact CE1-CD2 3.39Å; H186-H242 PolarHBondContact CE1-CD2 3.34Å; H186-H242 AromaticContact CE1-CE1 3.75Å; H186-H242 AromaticContact CE1-NE2 3.19Å; H186-H242 PolarHBondContact CE1-NE2 3.19Å; H186-H242 PolarHBondContact N-O 3.25Å; H186-H242 PolarHBondContact ND1-O 2.99Å; H186-H242 AromaticContact NE2-CD2 3.76Å; H186-H242 AromaticContact NE2-CE1 3.42Å; H186-H242 PolarHBondContact NE2-CE1 3.08Å; H186-H242 AromaticContact NE2-NE2 3.03Å; H186-H242 PolarHBondContact NE2-NE2 3.15Å; H186-H242 PolarHBondContact O-N 3.29Å
187V97.2Very high95.9Very high33 Ų3354.5 Ų54.520%0.229%0.285CS..  trans-128.2139.5171.7177.80000107N189 L239 Y241V187-N189 HydrophobicContact CG1-CB 4.23Å; V187-L239 HydrophobicContact CG1-CB 4.3Å; V187-L239 HydrophobicContact CG1-CD2 4.24Å; V187-L239 WeakPolarHBondContact CG1-O 3.08Å; V187-Y241 HydrophobicContact CG2-CD1 3.66Å; V187-Y241 HydrophobicContact CG2-CD2 3.8Å; V187-Y241 HydrophobicContact CG2-CE1 3.68Å; V187-Y241 HydrophobicContact CG2-CE2 3.85Å; V187-Y241 HydrophobicContact CG2-CG 3.71Å
188D95.2Very high96Very high27 Ų2753.9 Ų53.914%0.14428%0.283CS..  trans-93.2103.7173.7-84-26.3000109.3H186 L198 R238 H242 R282H186-D188 IonicContact CD2-OD1 3.75Å; H186-D188 IonicContact NE2-OD1 3.85Å; D188-L198 HydrophobicContact CB-CD1 3.67Å; D188-R238 PolarHBondContact O-NH1 2.68Å; D188-H242 IonicContact OD2-CE1 2.76Å; D188-H242 IonicContact OD2-NE2 3.89Å; D188-R282 IonicContact OD1-CZ 3.9Å; D188-R282 IonicContact OD1-NH1 3.68Å; D188-R282 IonicContact OD1-NH2 3.08Å; D188-R282 PolarHBondContact OD1-NH2 2.64Å; D188-R282 IonicContact OD2-CZ 3.75Å; D188-R282 IonicContact OD2-NH2 2.74Å; D188-R282 PolarHBondContact OD2-NH2 3.04Å
189N94.9Very high96.1Very high95 Ų9551.3 Ų51.351%0.50827%0.271SS..  trans-140.830-174.268.2-18.8000113.3V187 L239V187-N189 HydrophobicContact CG1-CB 4.23Å; N189-L239 HydrophobicContact CB-CD2 3.9Å
190S93.3Very high96.2Very high17 Ų1748.2 Ų48.212%0.11926%0.255CS..  trans-92.5-17.8-174.5-69.60000113.5H133 K138 Y140H133-S190 VanDerWaalsContact CD2-CB 3.49Å; H133-S190 WeakPolarHBondContact CD2-CB 3.26Å; H133-S190 WeakPolarHBondContact NE2-CB 3.34Å; H133-S190 PolarHBondContact NE2-OG 3.49Å; K138-S190 VanDerWaalsContact O-CB 3.25Å; K138-S190 WeakPolarHBondContact O-CB 3.32Å; K138-S190 PolarHBondContact O-OG 3.07Å; Y140-S190 VanDerWaalsContact CD2-O 3.3Å; Y140-S190 WeakPolarHBondContact CD2-O 3.4Å
191E94.8Very high96.4Very high7 Ų742.1 Ų42.13%0.03322%0.223CC..SBendtrans-65.9145.1174.2-56.976.1-171.700110.3Y140 N193 L194 R238 R282Y140-E191 HydrophobicContact CE2-CB 4.45Å; Y140-E191 HydrophobicContact CE2-CG 3.85Å; E191-N193 VanDerWaalsContact C-N 3.33Å; E191-L194 HydrophobicContact CB-CD2 4.2Å; E191-L194 WeakPolarHBondContact O-CD2 3.33Å; E191-R238 IonicContact OE1-NH2 3.71Å; E191-R238 IonicContact OE2-CZ 3.95Å; E191-R238 IonicContact OE2-NH1 2.74Å; E191-R238 IonicContact OE2-NH2 3.67Å; E191-R238 PolarHBondContact OE2-NH2 2.81Å; E191-R282 HydrophobicContact CG-CB 4.38Å; E191-R282 WeakPolarHBondContact OE1-CD 3.28Å; E191-R282 IonicContact OE1-CZ 3.39Å; E191-R282 IonicContact OE1-NE 3.56Å; E191-R282 IonicContact OE1-NH1 2.74Å; E191-R282 PolarHBondContact OE1-NH1 3.49Å
192R93.5Very high96.5Very high124 Ų12441.2 Ų41.247%0.46822%0.216SC..SBendtrans-72.5-33.8178.7-55.8-171.4-170.8105.9-6110.7D142 V284 D285D142-R192 IonicContact OD1-NH2 3.73Å; D142-R192 PolarHBondContact OD1-NH2 3.12Å; D142-R192 VanDerWaalsContact OD1-NH2 3.08Å; R192-V284 WeakPolarHBondContact CA-O 3.04Å; R192-V284 WeakPolarHBondContact CB-O 3.45Å; R192-V284 HydrophobicContact CG-CG1 4.34Å; R192-V284 PolarHBondContact N-O 3.49Å; R192-D285 VanDerWaalsContact CD-OD1 3.3Å; R192-D285 WeakPolarHBondContact CD-OD1 3.16Å; R192-D285 IonicContact CZ-OD1 3.62Å; R192-D285 IonicContact NE-OD1 2.83Å; R192-D285 IonicContact NH1-OD1 3.81Å; R192-D285 PolarHBondContact NH1-OD1 2.89Å; R192-D285 IonicContact NH1-OD2 3.53Å; R192-D285 PolarHBondContact NH1-OD2 3.12Å
193N93.6Very high96.5Very high38 Ų3839 Ų3920%0.20320%0.202CC..  trans-108.9112.8174-177.1-11.7000111E191 D195 H196 V284 D285E191-N193 VanDerWaalsContact C-N 3.33Å; N193-D195 WeakPolarHBondContact OD1-CB 3.48Å; N193-D195 PolarHBondContact OD1-N 3.23Å; N193-H196 PolarHBondContact ND2-CD2 3.17Å; N193-H196 PolarHBondContact ND2-NE2 3.05Å; N193-V284 PolarHBondContact N-O 3.32Å; N193-D285 VanDerWaalsContact CB-C 3.49Å; N193-D285 WeakPolarHBondContact CB-OXT 3.25Å; N193-D285 PolarHBondContact ND2-OXT 3.27Å
194L95.2Very high96.6Very high58 Ų5835.1 Ų35.130%0.30419%0.185SC..  trans-96.63.1-176.8-59.8172.8000112.9E191 H196 R238 L239E191-L194 HydrophobicContact CB-CD2 4.2Å; E191-L194 WeakPolarHBondContact O-CD2 3.33Å; L194-H196 VanDerWaalsContact C-N 3.34Å; L194-R238 WeakPolarHBondContact O-CG 3.3Å; L194-L239 HydrophobicContact CD1-CD1 4.28Å; L194-L239 HydrophobicContact CD1-CD2 4.1Å; L194-L239 HydrophobicContact CD2-CD2 4.23Å
195D95.3Very high96.7Very high133 Ų13331.3 Ų31.371%0.71116%0.159SC*.SBendtrans-79.7-21.3177.6-68.6-24.9000111.9N193N193-D195 WeakPolarHBondContact OD1-CB 3.48Å; N193-D195 PolarHBondContact OD1-N 3.23Å
196H96.7Very high96.7Very high35 Ų3530.1 Ų30.116%0.16215%0.152CC..SBendtrans-79.2141.8177.2-66.5-51.2000112.6Y167 N193 L194 R238 Q283Y167-H196 HydrophobicContact CD2-CB 4.11Å; Y167-H196 HydrophobicContact CE2-CB 4.19Å; N193-H196 PolarHBondContact ND2-CD2 3.17Å; N193-H196 PolarHBondContact ND2-NE2 3.05Å; L194-H196 VanDerWaalsContact C-N 3.34Å; H196-R238 VanDerWaalsContact O-CD 3.32Å; H196-R238 WeakPolarHBondContact O-CD 3.32Å; H196-R238 PolarHBondContact O-NE 3.45Å; H196-Q283 HydrophobicContact CB-CB 4.08Å; H196-Q283 VanDerWaalsContact CD2-CD 3.49Å; H196-Q283 PolarHBondContact CD2-NE2 3.07Å; H196-Q283 PolarHBondContact NE2-NE2 3.21Å; H196-Q283 VanDerWaalsContact NE2-NE2 3.14Å
197P97.7Very high96.8Very high1 Ų128.2 Ų28.21%0.00614%0.143CC..PPolyproline II helixtrans-71.1153.6-178.230.2-36.1000112.7Y164 Y167 I199 V232 M233Y164-P197 HydrophobicContact CD2-CG 4.1Å; Y164-P197 HydrophobicContact CE2-CG 4.17Å; Y164-P197 HydrophobicContact CG-CG 4.3Å; Y167-P197 HydrophobicContact CD2-CG 4.02Å; Y167-P197 HydrophobicContact CE2-CG 3.98Å; Y167-P197 VanDerWaalsContact CE2-O 3.23Å; Y167-P197 WeakPolarHBondContact CE2-O 3.32Å; Y167-P197 PolarHBondContact OH-O 3.46Å; P197-I199 HydrophobicContact CG-CG1 4.42Å; P197-V232 HydrophobicContact CB-CG1 3.76Å; P197-M233 WeakPolarHBondContact CA-O 3.29Å
198L98.4Very high96.8Very high11 Ų1126.6 Ų26.66%0.05813%0.134CC..EExtended strand (participates in β ladder)trans-84.9130.4157.9-55.8172.9000108.3D188 V232 M233 R282D188-L198 HydrophobicContact CB-CD1 3.67Å; L198-V232 CarbonylContact O-C 3.52Å; L198-V232 VanDerWaalsContact O-CA 3.28Å; L198-V232 WeakPolarHBondContact O-CA 3.43Å; L198-M233 HydrophobicContact CB-CB 4.21Å; L198-M233 HydrophobicContact CD1-CB 4.41Å; L198-M233 HydrophobicContact CD1-SD 4.32Å; L198-M233 PolarHBondContact N-O 2.95Å; L198-M233 PolarHBondContact O-N 3.42Å; L198-R282 HydrophobicContact CD2-CG 3.77Å
199I98.6Very high97Very high0 Ų026 Ų260%013%0.129CC..EExtended strand (participates in β ladder)trans-116.7119.2175.2-57.1-179.9000108.3I158 Y167 P197 V230 N280 L281I158-I199 HydrophobicContact CB-CD1 4.18Å; I158-I199 HydrophobicContact CD1-CG2 4.07Å; I158-I199 HydrophobicContact CG2-CD1 3.91Å; I158-I199 HydrophobicContact CG2-CG2 4.11Å; Y167-I199 HydrophobicContact CD1-CD1 3.95Å; Y167-I199 HydrophobicContact CE1-CD1 3.47Å; Y167-I199 VanDerWaalsContact CE1-CD1 3.47Å; Y167-I199 HydrophobicContact CE1-CG1 4.19Å; P197-I199 HydrophobicContact CG-CG1 4.42Å; I199-V230 HydrophobicContact CG2-CG1 3.74Å; I199-N280 CarbonylContact O-C 3.59Å; I199-N280 WeakPolarHBondContact O-CA 3.41Å; I199-L281 HydrophobicContact CB-CB 4.33Å; I199-L281 PolarHBondContact N-O 2.93Å; I199-L281 PolarHBondContact O-N 2.94Å
200S98.6Very high97.2Very high9 Ų921.4 Ų21.46%0.06311%0.105CC..EExtended strand (participates in β ladder)trans-119.6129.9-177.2-163.20000111V230 L231 N278 L279 N280S200-V230 CarbonylContact O-C 3.56Å; S200-V230 VanDerWaalsContact O-CA 3.28Å; S200-V230 WeakPolarHBondContact O-CA 3.41Å; S200-L231 PolarHBondContact N-O 3.33Å; S200-L231 PolarHBondContact O-N 3.41Å; S200-N278 PolarHBondContact OG-ND2 2.79Å; S200-L279 CarbonylContact C-O 3.54Å; S200-L279 VanDerWaalsContact CA-O 3.27Å; S200-L279 WeakPolarHBondContact CA-O 3.2Å; S200-N280 VanDerWaalsContact CB-OD1 3.3Å; S200-N280 WeakPolarHBondContact CB-OD1 3.4Å; S200-N280 PolarHBondContact OG-OD1 3.09Å
201I98.6Very high97.4Very high1 Ų120.6 Ų20.61%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-108131.4174.6-55.2-163.8000109.7I85 L154 I158 L203 V230 N278 L279I85-I201 HydrophobicContact CD1-CD1 3.79Å; I85-I201 HydrophobicContact CD1-CG2 4.45Å; I85-I201 HydrophobicContact CG1-CD1 4.39Å; I85-I201 HydrophobicContact CG1-CG2 4.18Å; L154-I201 HydrophobicContact CD1-CD1 3.67Å; L154-I201 HydrophobicContact CD2-CD1 3.23Å; L154-I201 HydrophobicContact CD2-CG1 4.26Å; L154-I201 HydrophobicContact CG-CD1 3.85Å; I158-I201 HydrophobicContact CD1-CD1 4.33Å; I201-L203 HydrophobicContact CG2-CD2 4.24Å; I201-L203 HydrophobicContact CG2-CG 4.35Å; I201-V230 HydrophobicContact CD1-CG2 4.37Å; I201-V230 HydrophobicContact CG1-CG2 4.19Å; I201-N278 VanDerWaalsContact O-CA 3.28Å; I201-N278 WeakPolarHBondContact O-CA 3.46Å; I201-L279 HydrophobicContact CB-CB 4.45Å; I201-L279 PolarHBondContact N-O 3.08Å; I201-L279 PolarHBondContact O-N 2.82Å
202S98.7Very high97.6Very high0 Ų020.3 Ų20.30%010%0.098CC..EExtended strand (participates in β ladder)trans-95.5129178.2-57.60000110.5R226 S227 G228 D229 R276S202-R226 WeakPolarHBondContact CB-O 3.27Å; S202-S227 CarbonylContact O-C 3.51Å; S202-S227 WeakPolarHBondContact O-CA 3.41Å; S202-G228 PolarHBondContact O-N 3.45Å; S202-D229 WeakPolarHBondContact CB-O 3.37Å; S202-D229 PolarHBondContact N-O 2.78Å; S202-D229 PolarHBondContact OG-O 3.28Å; S202-R276 VanDerWaalsContact CB-NH2 3.28Å; S202-R276 PolarHBondContact OG-NH2 3.07Å
203L98.6Very high97.7Very high1 Ų115.1 Ų15.11%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-132.1143.4173.4-54.9165.7000110Q90 W93 I201 L272 R276 I277Q90-L203 HydrophobicContact CB-CD2 4.11Å; Q90-L203 HydrophobicContact CG-CD2 4.24Å; W93-L203 HydrophobicContact CB-CD1 3.8Å; W93-L203 HydrophobicContact CB-CD2 4.18Å; I201-L203 HydrophobicContact CG2-CD2 4.24Å; I201-L203 HydrophobicContact CG2-CG 4.35Å; L203-L272 HydrophobicContact CB-CD2 4.37Å; L203-R276 CarbonylContact O-C 3.56Å; L203-R276 WeakPolarHBondContact O-CA 3.38Å; L203-I277 HydrophobicContact CB-CB 4.2Å; L203-I277 PolarHBondContact N-O 3.16Å; L203-I277 PolarHBondContact O-N 3.31Å
204G98.3Very high97.8Very high0 Ų017.1 Ų17.10%011%0.105CC..EExtended strand (participates in β ladder)trans84.6-136.2177.400000112.7S227G204-S227 PolarHBondContact N-OG 2.58Å; G204-S227 VanDerWaalsContact O-CB 3.31Å; G204-S227 WeakPolarHBondContact O-CB 3.44Å
205Q98.4Very high97.9Very high0 Ų017.6 Ų17.60%011%0.111CC..SBendtrans-68.7152.9-175.1-64.1-54.3-49.600113.4L179 I247 V251 L272 N273 H275 R276L179-Q205 HydrophobicContact CD2-CB 4.39Å; L179-Q205 HydrophobicContact CD2-CG 4.21Å; Q205-I247 HydrophobicContact CB-CG2 3.96Å; Q205-V251 PolarHBondContact NE2-O 2.85Å; Q205-V251 PolarHBondContact OE1-O 3.02Å; Q205-L272 PolarHBondContact NE2-O 3.24Å; Q205-N273 PolarHBondContact NE2-O 3Å; Q205-H275 PolarHBondContact N-O 3.41Å; Q205-R276 HydrophobicContact CB-CB 4.45Å; Q205-R276 WeakPolarHBondContact O-CB 3.37Å; Q205-R276 WeakPolarHBondContact O-CD 3.3Å; Q205-R276 VanDerWaalsContact O-CG 3.31Å; Q205-R276 WeakPolarHBondContact O-CG 3.43Å; Q205-R276 PolarHBondContact O-NH1 2.72Å
206A98Very high98Very high1 Ų115 Ų151%0.0089%0.093CC..EExtended strand (participates in β ladder)trans-68.6160.2179.700000111.5V224 L225 R226 I247 V248 D250A206-V224 HydrophobicContact CB-CG1 4.28Å; A206-L225 VanDerWaalsContact CA-O 3.25Å; A206-L225 WeakPolarHBondContact CA-O 3.33Å; A206-R226 HydrophobicContact CB-CG 4.2Å; A206-I247 WeakPolarHBondContact O-CG2 3.27Å; A206-V248 PolarHBondContact N-O 3.3Å; A206-V248 PolarHBondContact O-N 2.91Å; A206-D250 HydrophobicContact CB-CB 3.73Å
207C98.4Very high98Very high1 Ų119.2 Ų19.21%0.00711%0.113CC..EExtended strand (participates in β ladder)trans-132.3160.7166.178.30000111.2L225 V244 R246 I247C207-L225 PolarHBondContact N-O 3.12Å; C207-L225 PolarHBondContact O-N 3.03Å; C207-L225 VanDerWaalsContact O-N 3.07Å; C207-V244 HydrophobicContact CB-CG1 3.81Å; C207-R246 WeakPolarHBondContact CB-O 3.38Å; C207-I247 HydrophobicContact CB-CD1 3.71Å
208I98.5Very high97.9Very high0 Ų023 Ų230%013%0.132CC..EExtended strand (participates in β ladder)trans-92.3118.4163.1-53.2-48.5000106.8Y15 A23 I24 L210 A222 V224 V244 P245 R246 V248Y15-I208 HydrophobicContact CD1-CG2 3.78Å; Y15-I208 HydrophobicContact CE1-CG2 4.27Å; Y15-I208 HydrophobicContact CG-CG2 4.08Å; A23-I208 HydrophobicContact CB-CD1 4.37Å; A23-I208 HydrophobicContact CB-CG1 4.06Å; I24-I208 HydrophobicContact CG1-CD1 4.24Å; I208-L210 HydrophobicContact CG2-CD2 4.17Å; I208-A222 HydrophobicContact CG2-CB 4.19Å; I208-V224 HydrophobicContact CD1-CG2 4.15Å; I208-V244 WeakPolarHBondContact O-CA 3.37Å; I208-P245 HydrophobicContact CB-CG 4.21Å; I208-P245 HydrophobicContact CG2-CG 4.16Å; I208-P245 VanDerWaalsContact O-CD 3.29Å; I208-P245 WeakPolarHBondContact O-CD 3.38Å; I208-R246 HydrophobicContact CB-CG 4.13Å; I208-R246 HydrophobicContact CG1-CG 3.77Å; I208-R246 PolarHBondContact N-O 3.34Å; I208-V248 HydrophobicContact CD1-CG2 4.21Å; I208-V248 HydrophobicContact CG1-CG2 4.09Å
209F98.6Very high97.8Very high13 Ų1329.2 Ų29.26%0.05716%0.161CC..EExtended strand (participates in β ladder)trans-105126.2176.8179.3-101.6000109.3I211 A222 L223 L225 L231 M233 H242 V244F209-I211 HydrophobicContact CD1-CB 4.29Å; F209-I211 HydrophobicContact CE1-CB 3.72Å; F209-I211 HydrophobicContact CE1-CD1 4.24Å; F209-I211 HydrophobicContact CE1-CG1 4.33Å; F209-I211 HydrophobicContact CE1-CG2 4.36Å; F209-I211 HydrophobicContact CZ-CB 4.5Å; F209-I211 HydrophobicContact CZ-CD1 4.32Å; F209-A222 CarbonylContact O-C 3.49Å; F209-A222 WeakPolarHBondContact O-CA 3.47Å; F209-L223 HydrophobicContact CD1-CD1 4.32Å; F209-L223 PolarHBondContact N-O 2.85Å; F209-L223 PolarHBondContact O-N 2.79Å; F209-L225 HydrophobicContact CB-CD1 3.59Å; F209-L225 HydrophobicContact CB-CG 3.83Å; F209-L225 HydrophobicContact CD1-CD1 4.41Å; F209-L225 HydrophobicContact CD2-CD1 4.15Å; F209-L225 HydrophobicContact CG-CD1 3.82Å; F209-L225 HydrophobicContact CG-CG 4.47Å; F209-L231 HydrophobicContact CD1-CD2 4.02Å; F209-L231 HydrophobicContact CD2-CD2 4.43Å; F209-L231 HydrophobicContact CE1-CD2 3.54Å; F209-L231 HydrophobicContact CE2-CD2 4.01Å; F209-L231 HydrophobicContact CG-CD2 4.43Å; F209-L231 HydrophobicContact CZ-CD2 3.55Å; F209-M233 HydrophobicContact CZ-SD 4.12Å; F209-H242 HydrophobicContact CE2-CB 3.98Å; F209-H242 AromaticContact CE2-CD2 3.7Å; F209-H242 HydrophobicContact CZ-CB 3.7Å; F209-H242 AromaticContact CZ-CD2 3.97Å; F209-V244 HydrophobicContact CD2-CG2 4.17Å
210L98.5Very high97.8Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-103.3131.2176.4-60.7-173.2000109.4F8 V11 F12 Y15 I208 P220 T221 A222 H242 A243 P245F8-L210 HydrophobicContact CE1-CB 4.25Å; F8-L210 HydrophobicContact CE1-CD1 4.39Å; F8-L210 HydrophobicContact CZ-CB 3.98Å; V11-L210 HydrophobicContact CG1-CD1 4.21Å; V11-L210 HydrophobicContact CG1-CD2 4.26Å; F12-L210 HydrophobicContact CB-CD1 4.05Å; F12-L210 HydrophobicContact CD2-CD1 4.21Å; Y15-L210 HydrophobicContact CD2-CD2 3.86Å; Y15-L210 HydrophobicContact CE2-CD2 4.17Å; Y15-L210 HydrophobicContact CG-CD2 4.41Å; I208-L210 HydrophobicContact CG2-CD2 4.17Å; L210-P220 HydrophobicContact CB-CB 4.01Å; L210-P220 HydrophobicContact CB-CG 4.36Å; L210-P220 HydrophobicContact CD1-CG 4.37Å; L210-T221 WeakPolarHBondContact CA-O 3.31Å; L210-A222 HydrophobicContact CD2-CB 3.48Å; L210-A222 VanDerWaalsContact CD2-CB 3.48Å; L210-H242 CarbonylContact O-C 3.59Å; L210-H242 WeakPolarHBondContact O-CA 3.39Å; L210-H242 WeakPolarHBondContact O-CB 3.45Å; L210-A243 HydrophobicContact CB-CB 4.3Å; L210-A243 PolarHBondContact N-O 3.01Å; L210-A243 PolarHBondContact O-N 3.32Å; L210-P245 HydrophobicContact CD1-CG 3.88Å; L210-P245 HydrophobicContact CD2-CG 4.49Å; L210-P245 HydrophobicContact CG-CG 3.9Å
211I98.4Very high97.7Very high0 Ų029.8 Ų29.80%016%0.164CC..EExtended strand (participates in β ladder)trans-131.3116.9177-172.667.9000110.7N75 L78 F209 P220 T221 L223 M233 A240 H242N75-I211 HydrophobicContact CB-CG1 4.48Å; N75-I211 PolarHBondContact ND2-O 2.85Å; L78-I211 HydrophobicContact CD2-CB 4.35Å; L78-I211 HydrophobicContact CD2-CG1 4.13Å; L78-I211 HydrophobicContact CD2-CG2 3.72Å; F209-I211 HydrophobicContact CD1-CB 4.29Å; F209-I211 HydrophobicContact CE1-CB 3.72Å; F209-I211 HydrophobicContact CE1-CD1 4.24Å; F209-I211 HydrophobicContact CE1-CG1 4.33Å; F209-I211 HydrophobicContact CE1-CG2 4.36Å; F209-I211 HydrophobicContact CZ-CB 4.5Å; F209-I211 HydrophobicContact CZ-CD1 4.32Å; I211-P220 CarbonylContact O-C 3.52Å; I211-P220 VanDerWaalsContact O-CA 3.23Å; I211-P220 WeakPolarHBondContact O-CA 3.41Å; I211-T221 PolarHBondContact N-O 2.79Å; I211-T221 PolarHBondContact O-N 2.9Å; I211-L223 HydrophobicContact CG2-CD1 4.25Å; I211-M233 HydrophobicContact CD1-CE 3.79Å; I211-A240 HydrophobicContact CD1-CB 3.62Å; I211-A240 HydrophobicContact CG1-CB 4.33Å; I211-H242 HydrophobicContact CD1-CB 3.75Å
212G97.8Very high97.7Very high1 Ų129.9 Ų29.91%0.0117%0.165CC..  trans-101.4-143.9178.200000111.5N75 Y241N75-G212 PolarHBondContact ND2-O 2.89Å; G212-Y241 PolarHBondContact N-O 3.41Å
213G97Very high97.6Very high14 Ų1429.9 Ų29.914%0.14417%0.165CC..  trans-121.9-152.3174.500000112.5T215 Y241G213-T215 PolarHBondContact O-N 3.39Å; G213-Y241 PolarHBondContact O-N 3.29Å
214A96.3Very high97.6Very high81 Ų8129.9 Ų29.967%0.66917%0.165SC*.SBendtrans-66.8-16.1-177.500000114.2Y241A214-Y241 WeakPolarHBondContact O-CE2 3.46Å
215T96.5Very high97.6Very high68 Ų6829.9 Ų29.942%0.41717%0.165SC..SBendtrans-132.6162.217874.50000110.7G213 E217 I218G213-T215 PolarHBondContact O-N 3.39Å; T215-E217 PolarHBondContact O-N 3.25Å; T215-E217 PolarHBondContact OG1-N 3.24Å; T215-I218 PolarHBondContact O-N 2.99Å
216K96.4Very high97.5Very high79 Ų7932.4 Ų32.434%0.34318%0.175SC..THydrogen-bonded Turntrans-74.9-5.2174.6-60.8179.3-178168.80113.4N6 F8 I218 Y241N6-K216 HydrophobicContact CB-CB 4.25Å; N6-K216 WeakPolarHBondContact CB-O 3.11Å; N6-K216 VanDerWaalsContact CG-CB 3.5Å; N6-K216 PolarHBondContact OD1-O 3.43Å; F8-K216 HydrophobicContact CB-CB 4.16Å; F8-K216 VanDerWaalsContact CB-O 3.27Å; F8-K216 WeakPolarHBondContact CB-O 3.17Å; F8-K216 PolarHBondContact N-O 3.11Å; F8-K216 VanDerWaalsContact N-O 3.13Å; K216-I218 VanDerWaalsContact C-N 3.28Å; K216-Y241 HydrophobicContact CD-CE1 4.29Å; K216-Y241 HydrophobicContact CG-CD1 3.96Å; K216-Y241 HydrophobicContact CG-CD2 4.16Å; K216-Y241 HydrophobicContact CG-CE1 3.97Å; K216-Y241 HydrophobicContact CG-CE2 4.13Å; K216-Y241 HydrophobicContact CG-CG 4.07Å
217E96.9Very high97.5Very high122 Ų12233.4 Ų33.457%0.5718%0.181SC*.THydrogen-bonded Turntrans-78.3-15.8173.9-55.5-47.9135.700112.8N6 P7 T215N6-E217 VanDerWaalsContact CB-OE1 3.31Å; N6-E217 WeakPolarHBondContact CB-OE1 3.33Å; P7-E217 VanDerWaalsContact CD-OE2 3.31Å; P7-E217 WeakPolarHBondContact CD-OE2 3.45Å; P7-E217 WeakPolarHBondContact CG-O 3.31Å; T215-E217 PolarHBondContact O-N 3.25Å; T215-E217 PolarHBondContact OG1-N 3.24Å
218I96.5Very high97.5Very high80 Ų8033.5 Ų33.541%0.4118%0.183SC..SBendtrans-84.1118.4174.6-62.9169.2000108T215 K216T215-I218 PolarHBondContact O-N 2.99Å; K216-I218 VanDerWaalsContact C-N 3.28Å
219E97Very high97.5Very high142 Ų14233.9 Ų33.966%0.66419%0.185SC*.PPolyproline II helixtrans-58.6128.4175.3-169.6178.9110.900110.6P7 V11P7-E219 HydrophobicContact CB-CB 4.25Å; V11-E219 HydrophobicContact CG2-CG 3.72Å
220P97.7Very high97.5Very high7 Ų733.3 Ų33.35%0.04518%0.182CC..PPolyproline II helixtrans-80.1144.8-176.929.2-33.8000112.3F8 V11 L210 I211F8-P220 HydrophobicContact CB-CG 4.43Å; F8-P220 HydrophobicContact CD1-CG 4.14Å; F8-P220 HydrophobicContact CD2-CB 3.78Å; F8-P220 HydrophobicContact CD2-CG 3.81Å; F8-P220 HydrophobicContact CE1-CB 4.48Å; F8-P220 HydrophobicContact CE1-CG 4.25Å; F8-P220 HydrophobicContact CE2-CB 3.57Å; F8-P220 HydrophobicContact CE2-CG 3.99Å; F8-P220 HydrophobicContact CG-CB 4.36Å; F8-P220 HydrophobicContact CG-CG 3.88Å; F8-P220 HydrophobicContact CZ-CB 3.93Å; F8-P220 HydrophobicContact CZ-CG 4.18Å; V11-P220 HydrophobicContact CB-CG 3.75Å; V11-P220 HydrophobicContact CG1-CG 3.79Å; V11-P220 HydrophobicContact CG2-CG 4.28Å; L210-P220 HydrophobicContact CB-CB 4.01Å; L210-P220 HydrophobicContact CB-CG 4.36Å; L210-P220 HydrophobicContact CD1-CG 4.37Å; I211-P220 CarbonylContact O-C 3.52Å; I211-P220 VanDerWaalsContact O-CA 3.23Å; I211-P220 WeakPolarHBondContact O-CA 3.41Å
221T97Very high97.5Very high14 Ų1433.5 Ų33.59%0.08618%0.183CC..EExtended strand (participates in β ladder)trans-80.1133.4164.4-73.60000109.9K28 V72 S74 L210 I211 L223K28-T221 HydrophobicContact CD-CG2 3.79Å; K28-T221 PolarHBondContact NZ-OG1 3.43Å; V72-T221 HydrophobicContact CG1-CG2 4.38Å; S74-T221 PolarHBondContact OG-OG1 3.25Å; L210-T221 WeakPolarHBondContact CA-O 3.31Å; I211-T221 PolarHBondContact N-O 2.79Å; I211-T221 PolarHBondContact O-N 2.9Å; T221-L223 HydrophobicContact CG2-CD2 3.82Å; T221-L223 HydrophobicContact CG2-CG 4.28Å
222A97.7Very high97.5Very high3 Ų333.5 Ų33.53%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-92.9129.6173.100000111.4Y15 K28 I208 F209 L210Y15-A222 HydrophobicContact CD2-CB 4.22Å; Y15-A222 HydrophobicContact CE1-CB 3.86Å; Y15-A222 HydrophobicContact CE2-CB 3.47Å; Y15-A222 VanDerWaalsContact CE2-CB 3.47Å; Y15-A222 VanDerWaalsContact OH-CB 3.26Å; Y15-A222 WeakPolarHBondContact OH-CB 3.37Å; K28-A222 PolarHBondContact N-O 3.32Å; I208-A222 HydrophobicContact CG2-CB 4.19Å; F209-A222 CarbonylContact O-C 3.49Å; F209-A222 WeakPolarHBondContact O-CA 3.47Å; L210-A222 HydrophobicContact CD2-CB 3.48Å; L210-A222 VanDerWaalsContact CD2-CB 3.48Å
223L97.4Very high97.6Very high1 Ų134 Ų341%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-122.6144.1178.7-56.3176.9000110.1K28 F38 V72 L78 F209 I211 T221K28-L223 HydrophobicContact CB-CD2 4.16Å; K28-L223 WeakPolarHBondContact O-CA 3.24Å; F38-L223 HydrophobicContact CE1-CD2 4.04Å; F38-L223 HydrophobicContact CZ-CD2 3.77Å; V72-L223 HydrophobicContact CG2-CD1 4.01Å; V72-L223 HydrophobicContact CG2-CD2 4.35Å; L78-L223 HydrophobicContact CD2-CD1 3.75Å; F209-L223 HydrophobicContact CD1-CD1 4.32Å; F209-L223 PolarHBondContact N-O 2.85Å; F209-L223 PolarHBondContact O-N 2.79Å; I211-L223 HydrophobicContact CG2-CD1 4.25Å; T221-L223 HydrophobicContact CG2-CD2 3.82Å; T221-L223 HydrophobicContact CG2-CG 4.28Å
224V97.5Very high97.6Very high0 Ų033.8 Ų33.80%018%0.182CC..EExtended strand (participates in β ladder)trans-89.7120.2166.5-1700000109.1I24 K28 A206 I208 R226I24-V224 HydrophobicContact CG2-CG2 4.34Å; K28-V224 PolarHBondContact O-N 2.59Å; A206-V224 HydrophobicContact CB-CG1 4.28Å; I208-V224 HydrophobicContact CD1-CG2 4.15Å; V224-R226 HydrophobicContact CG1-CG 4.15Å
225L98.1Very high97.6Very high1 Ų132.5 Ų32.51%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-105.2120.9171.9-56.6-178.4000110L80 A206 C207 F209 L231 R276L80-L225 HydrophobicContact CD1-CD2 3.82Å; A206-L225 VanDerWaalsContact CA-O 3.25Å; A206-L225 WeakPolarHBondContact CA-O 3.33Å; C207-L225 PolarHBondContact N-O 3.12Å; C207-L225 PolarHBondContact O-N 3.03Å; C207-L225 VanDerWaalsContact O-N 3.07Å; F209-L225 HydrophobicContact CB-CD1 3.59Å; F209-L225 HydrophobicContact CB-CG 3.83Å; F209-L225 HydrophobicContact CD1-CD1 4.41Å; F209-L225 HydrophobicContact CD2-CD1 4.15Å; F209-L225 HydrophobicContact CG-CD1 3.82Å; F209-L225 HydrophobicContact CG-CG 4.47Å; L225-L231 HydrophobicContact CD1-CD2 4.03Å; L225-L231 HydrophobicContact CD2-CD1 4.22Å; L225-R276 PolarHBondContact O-NH1 3.11Å
226R97.9Very high97.5Very high53 Ų5335 Ų3520%0.219%0.187CC..  trans-106.8168.5-178.2-69.1-168.4-179.578.3-13.5112.5E29 S202 A206 V224 G228 D229 D250E29-R226 VanDerWaalsContact CD-NH1 3.29Å; E29-R226 IonicContact OE1-CZ 3.32Å; E29-R226 VanDerWaalsContact OE1-CZ 3.28Å; E29-R226 IonicContact OE1-NH1 2.69Å; E29-R226 PolarHBondContact OE1-NH1 3.06Å; E29-R226 IonicContact OE1-NH2 2.76Å; E29-R226 PolarHBondContact OE1-NH2 3.24Å; E29-R226 IonicContact OE2-CZ 3Å; E29-R226 IonicContact OE2-NH1 3.77Å; E29-R226 IonicContact OE2-NH2 3.79Å; E29-R226 PolarHBondContact OE2-NH2 2.95Å; S202-R226 WeakPolarHBondContact CB-O 3.27Å; A206-R226 HydrophobicContact CB-CG 4.2Å; V224-R226 HydrophobicContact CG1-CG 4.15Å; R226-G228 PolarHBondContact O-N 3.28Å; R226-D229 PolarHBondContact N-OD2 2.6Å; R226-D229 VanDerWaalsContact O-CB 3.24Å; R226-D229 WeakPolarHBondContact O-CB 3.47Å; R226-D229 PolarHBondContact O-N 2.96Å; R226-D250 IonicContact CZ-OD2 2.85Å; R226-D250 IonicContact NE-OD2 3.76Å; R226-D250 PolarHBondContact NE-OD2 3.35Å
227S98.2Very high97.6Very high21 Ų2131.4 Ų31.415%0.14717%0.171CC..THydrogen-bonded Turntrans-57.8130.7175-158.50000111.5Q90 S202 G204 D229 F253Q90-S227 PolarHBondContact NE2-O 3.35Å; Q90-S227 PolarHBondContact OE1-OG 3.18Å; S202-S227 CarbonylContact O-C 3.51Å; S202-S227 WeakPolarHBondContact O-CA 3.41Å; G204-S227 PolarHBondContact N-OG 2.58Å; G204-S227 VanDerWaalsContact O-CB 3.31Å; G204-S227 WeakPolarHBondContact O-CB 3.44Å; S227-D229 VanDerWaalsContact C-N 3.34Å; S227-F253 WeakPolarHBondContact OG-CZ 3.16Å
228G98.1Very high97.6Very high4 Ų425.8 Ų25.84%0.04115%0.145CC..THydrogen-bonded Turntrans90.5-12.9-174.900000114.7S202 R226S202-G228 PolarHBondContact O-N 3.45Å; R226-G228 PolarHBondContact O-N 3.28Å
229D98.4Very high97.6Very high8 Ų825.5 Ų25.54%0.04314%0.144CC..  trans-69135177-71.6-9.5000110.6L80 R82 S202 R226 S227L80-D229 HydrophobicContact CD1-CB 3.9Å; R82-D229 WeakPolarHBondContact CG-OD1 3.35Å; R82-D229 IonicContact NE-OD1 2.77Å; R82-D229 IonicContact NE-OD2 2.85Å; S202-D229 WeakPolarHBondContact CB-O 3.37Å; S202-D229 PolarHBondContact N-O 2.78Å; S202-D229 PolarHBondContact OG-O 3.28Å; R226-D229 PolarHBondContact N-OD2 2.6Å; R226-D229 VanDerWaalsContact O-CB 3.24Å; R226-D229 WeakPolarHBondContact O-CB 3.47Å; R226-D229 PolarHBondContact O-N 2.96Å; S227-D229 VanDerWaalsContact C-N 3.34Å
230V98.7Very high97.7Very high0 Ų018.8 Ų18.80%011%0.113CC..EExtended strand (participates in β ladder)trans-104.7122168.1-1770000108.5I81 A84 I85 I158 I199 S200 I201 V232I81-V230 HydrophobicContact CB-CB 4.18Å; I81-V230 PolarHBondContact N-O 2.91Å; I81-V230 PolarHBondContact O-N 2.86Å; A84-V230 HydrophobicContact CB-CG2 4.27Å; I85-V230 HydrophobicContact CG1-CG2 4.2Å; I158-V230 HydrophobicContact CD1-CG1 4.04Å; I158-V230 HydrophobicContact CD1-CG2 4.22Å; I158-V230 HydrophobicContact CG2-CG1 4.35Å; I199-V230 HydrophobicContact CG2-CG1 3.74Å; S200-V230 CarbonylContact O-C 3.56Å; S200-V230 VanDerWaalsContact O-CA 3.28Å; S200-V230 WeakPolarHBondContact O-CA 3.41Å; I201-V230 HydrophobicContact CD1-CG2 4.37Å; I201-V230 HydrophobicContact CG1-CG2 4.19Å; V230-V232 HydrophobicContact CG1-CG2 4.25Å
231L98.6Very high97.7Very high5 Ų521.4 Ų21.43%0.02612%0.122CC..EExtended strand (participates in β ladder)trans-104129172.6-171.974.7000109.7L78 L80 S200 F209 L225 M233L78-L231 HydrophobicContact CD1-CD1 3.88Å; L78-L231 HydrophobicContact CD1-CD2 4.42Å; L78-L231 HydrophobicContact CD1-CG 4.2Å; L78-L231 HydrophobicContact CG-CD1 4.2Å; L80-L231 HydrophobicContact CD1-CD1 4.43Å; S200-L231 PolarHBondContact N-O 3.33Å; S200-L231 PolarHBondContact O-N 3.41Å; F209-L231 HydrophobicContact CD1-CD2 4.02Å; F209-L231 HydrophobicContact CD2-CD2 4.43Å; F209-L231 HydrophobicContact CE1-CD2 3.54Å; F209-L231 HydrophobicContact CE2-CD2 4.01Å; F209-L231 HydrophobicContact CG-CD2 4.43Å; F209-L231 HydrophobicContact CZ-CD2 3.55Å; L225-L231 HydrophobicContact CD1-CD2 4.03Å; L225-L231 HydrophobicContact CD2-CD1 4.22Å; L231-M233 HydrophobicContact CD2-CG 4.47Å
232V98.5Very high97.8Very high0 Ų021.4 Ų21.40%012%0.121CC..EExtended strand (participates in β ladder)trans-116.6124.3177.5-175.50000109L78 I79 I81 L162 P197 L198 V230L78-V232 WeakPolarHBondContact CA-O 3.5Å; I79-V232 HydrophobicContact CB-CB 4.13Å; I79-V232 PolarHBondContact N-O 2.84Å; I79-V232 PolarHBondContact O-N 3.16Å; I81-V232 HydrophobicContact CD1-CG2 4.19Å; L162-V232 HydrophobicContact CD1-CB 4.46Å; L162-V232 HydrophobicContact CD1-CG1 3.99Å; L162-V232 HydrophobicContact CD1-CG2 3.76Å; P197-V232 HydrophobicContact CB-CG1 3.76Å; L198-V232 CarbonylContact O-C 3.52Å; L198-V232 VanDerWaalsContact O-CA 3.28Å; L198-V232 WeakPolarHBondContact O-CA 3.43Å; V230-V232 HydrophobicContact CG1-CG2 4.25Å
233M98.5Very high97.8Very high10 Ų1021.2 Ų21.25%0.04912%0.12CC..EExtended strand (participates in β ladder)trans-109.4108.3173.7-59.9176.860.700109.1L78 P197 L198 F209 I211 L231 S237 R238L78-M233 HydrophobicContact CD1-CG 3.72Å; P197-M233 WeakPolarHBondContact CA-O 3.29Å; L198-M233 HydrophobicContact CB-CB 4.21Å; L198-M233 HydrophobicContact CD1-CB 4.41Å; L198-M233 HydrophobicContact CD1-SD 4.32Å; L198-M233 PolarHBondContact N-O 2.95Å; L198-M233 PolarHBondContact O-N 3.42Å; F209-M233 HydrophobicContact CZ-SD 4.12Å; I211-M233 HydrophobicContact CD1-CE 3.79Å; L231-M233 HydrophobicContact CD2-CG 4.47Å; M233-S237 WeakPolarHBondContact CE-O 3.5Å; M233-R238 VanDerWaalsContact O-CD 3.27Å; M233-R238 WeakPolarHBondContact O-CD 3.18Å
234S97.6Very high97.9Very high11 Ų1121.8 Ų21.88%0.07712%0.123CC..  trans-133.1167.7-177.371.20000111.4G77 L236 S237 R238G77-S234 CarbonylContact C-O 3.47Å; G77-S234 WeakPolarHBondContact CA-O 3.46Å; G77-S234 PolarHBondContact O-N 3.42Å; G77-S234 PolarHBondContact O-OG 3.23Å; S234-L236 PolarHBondContact O-N 3.06Å; S234-S237 PolarHBondContact O-N 2.88Å; S234-R238 PolarHBondContact O-N 3.49Å
235G95.8Very high97.9Very high53 Ų5321.9 Ų21.955%0.54612%0.124SC..G310 helixtrans50.3-128.8177.800000112.5S237 R238G235-S237 PolarHBondContact O-N 3.32Å; G235-R238 WeakPolarHBondContact O-CB 3.23Å; G235-R238 PolarHBondContact O-N 3.11Å
236L95.4Very high97.9Very high121 Ų12123.7 Ų23.763%0.63413%0.13SC*.G310 helixtrans-62.8-27.3-179.7-63.8-179.3000113.8R76 S234 R238R76-L236 HydrophobicContact CB-CD1 4.43Å; R76-L236 VanDerWaalsContact NH2-CD1 3.33Å; S234-L236 PolarHBondContact O-N 3.06Å; L236-R238 VanDerWaalsContact C-N 3.32Å
237S97.4Very high97.9Very high3 Ų321.4 Ų21.42%0.02112%0.122CC..G310 helixtrans-80.3-14.9178-62.60000112.9N75 R76 L78 M233 S234 G235 L239 A240N75-S237 PolarHBondContact O-OG 2.93Å; R76-S237 WeakPolarHBondContact O-CB 3.46Å; R76-S237 PolarHBondContact O-N 2.92Å; R76-S237 VanDerWaalsContact O-N 3.15Å; R76-S237 PolarHBondContact O-OG 3Å; L78-S237 PolarHBondContact N-OG 3.42Å; M233-S237 WeakPolarHBondContact CE-O 3.5Å; S234-S237 PolarHBondContact O-N 2.88Å; G235-S237 PolarHBondContact O-N 3.32Å; S237-L239 PolarHBondContact O-N 2.96Å; S237-A240 WeakPolarHBondContact O-CB 3.48Å; S237-A240 PolarHBondContact O-N 3.37Å
238R97.7Very high97.9Very high5 Ų520.6 Ų20.62%0.01912%0.116CC..G310 helixtrans-59.2-32.1-179.9-178.457.6-175.679.82.1113.4D188 E191 L194 H196 M233 S234 G235 L236D188-R238 PolarHBondContact O-NH1 2.68Å; E191-R238 IonicContact OE1-NH2 3.71Å; E191-R238 IonicContact OE2-CZ 3.95Å; E191-R238 IonicContact OE2-NH1 2.74Å; E191-R238 IonicContact OE2-NH2 3.67Å; E191-R238 PolarHBondContact OE2-NH2 2.81Å; L194-R238 WeakPolarHBondContact O-CG 3.3Å; H196-R238 VanDerWaalsContact O-CD 3.32Å; H196-R238 WeakPolarHBondContact O-CD 3.32Å; H196-R238 PolarHBondContact O-NE 3.45Å; M233-R238 VanDerWaalsContact O-CD 3.27Å; M233-R238 WeakPolarHBondContact O-CD 3.18Å; S234-R238 PolarHBondContact O-N 3.49Å; G235-R238 WeakPolarHBondContact O-CB 3.23Å; G235-R238 PolarHBondContact O-N 3.11Å; L236-R238 VanDerWaalsContact C-N 3.32Å
239L97.5Very high97.7Very high73 Ų7326.3 Ų26.338%0.38214%0.14SC..G310 helixtrans-116.218.8-178.5-61.1176.5000112.6V187 N189 L194 S237V187-L239 HydrophobicContact CG1-CB 4.3Å; V187-L239 HydrophobicContact CG1-CD2 4.24Å; V187-L239 WeakPolarHBondContact CG1-O 3.08Å; N189-L239 HydrophobicContact CB-CD2 3.9Å; L194-L239 HydrophobicContact CD1-CD1 4.28Å; L194-L239 HydrophobicContact CD1-CD2 4.1Å; L194-L239 HydrophobicContact CD2-CD2 4.23Å; S237-L239 PolarHBondContact O-N 2.96Å
240A98.1Very high97.5Very high2 Ų229.1 Ų29.12%0.01716%0.155CC..  trans-76142.3177.300000111.4I211 S237 H242I211-A240 HydrophobicContact CD1-CB 3.62Å; I211-A240 HydrophobicContact CG1-CB 4.33Å; S237-A240 WeakPolarHBondContact O-CB 3.48Å; S237-A240 PolarHBondContact O-N 3.37Å; A240-H242 PolarHBondContact O-N 3.09Å; A240-H242 PolarHBondContact O-ND1 2.93Å
241Y98.4Very high97.2Very high62 Ų6231.7 Ų31.724%0.24317%0.171CC..  trans-59.7133.2169-86.4-80000110F8 H186 V187 G212 G213 A214 K216F8-Y241 WeakPolarHBondContact CE2-O 3.31Å; H186-Y241 WeakPolarHBondContact O-CA 3.47Å; V187-Y241 HydrophobicContact CG2-CD1 3.66Å; V187-Y241 HydrophobicContact CG2-CD2 3.8Å; V187-Y241 HydrophobicContact CG2-CE1 3.68Å; V187-Y241 HydrophobicContact CG2-CE2 3.85Å; V187-Y241 HydrophobicContact CG2-CG 3.71Å; G212-Y241 PolarHBondContact N-O 3.41Å; G213-Y241 PolarHBondContact O-N 3.29Å; A214-Y241 WeakPolarHBondContact O-CE2 3.46Å; K216-Y241 HydrophobicContact CD-CE1 4.29Å; K216-Y241 HydrophobicContact CG-CD1 3.96Å; K216-Y241 HydrophobicContact CG-CD2 4.16Å; K216-Y241 HydrophobicContact CG-CE1 3.97Å; K216-Y241 HydrophobicContact CG-CE2 4.13Å; K216-Y241 HydrophobicContact CG-CG 4.07Å
242H98.6Very high97.1Very high13 Ų1336.8 Ų36.86%0.0619%0.194CC..EExtended strand (participates in β ladder)trans-146.5162177.962-78000112.4P185 H186 D188 F209 L210 I211 A240P185-H242 WeakPolarHBondContact CA-O 3.39Å; H186-H242 AromaticContact CE1-CD2 3.39Å; H186-H242 PolarHBondContact CE1-CD2 3.34Å; H186-H242 AromaticContact CE1-CE1 3.75Å; H186-H242 AromaticContact CE1-NE2 3.19Å; H186-H242 PolarHBondContact CE1-NE2 3.19Å; H186-H242 PolarHBondContact N-O 3.25Å; H186-H242 PolarHBondContact ND1-O 2.99Å; H186-H242 AromaticContact NE2-CD2 3.76Å; H186-H242 AromaticContact NE2-CE1 3.42Å; H186-H242 PolarHBondContact NE2-CE1 3.08Å; H186-H242 AromaticContact NE2-NE2 3.03Å; H186-H242 PolarHBondContact NE2-NE2 3.15Å; H186-H242 PolarHBondContact O-N 3.29Å; D188-H242 IonicContact OD2-CE1 2.76Å; D188-H242 IonicContact OD2-NE2 3.89Å; F209-H242 HydrophobicContact CE2-CB 3.98Å; F209-H242 AromaticContact CE2-CD2 3.7Å; F209-H242 HydrophobicContact CZ-CB 3.7Å; F209-H242 AromaticContact CZ-CD2 3.97Å; L210-H242 CarbonylContact O-C 3.59Å; L210-H242 WeakPolarHBondContact O-CA 3.39Å; L210-H242 WeakPolarHBondContact O-CB 3.45Å; I211-H242 HydrophobicContact CD1-CB 3.75Å; A240-H242 PolarHBondContact O-N 3.09Å; A240-H242 PolarHBondContact O-ND1 2.93Å
243A98.5Very high96.8Very high0 Ų038.3 Ų38.30%020%0.201CC..EExtended strand (participates in β ladder)trans-156.9162.7-175.200000112.1F8 F12 F183 P185 L210F8-A243 HydrophobicContact CE1-CB 3.76Å; F8-A243 HydrophobicContact CZ-CB 4.06Å; F12-A243 HydrophobicContact CD2-CB 3.67Å; F12-A243 HydrophobicContact CE2-CB 3.86Å; F183-A243 WeakPolarHBondContact O-CB 3.27Å; P185-A243 HydrophobicContact CB-CB 4.47Å; P185-A243 HydrophobicContact CG-CB 4.16Å; L210-A243 HydrophobicContact CB-CB 4.3Å; L210-A243 PolarHBondContact N-O 3.01Å; L210-A243 PolarHBondContact O-N 3.32Å
244V98.6Very high96.4Very high13 Ų1342.7 Ų42.78%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-124.588.7169.6-178.70000108.1T182 F183 C207 I208 F209 R246 I247T182-V244 CarbonylContact C-O 3.6Å; T182-V244 WeakPolarHBondContact CA-O 3.48Å; T182-V244 PolarHBondContact OG1-O 2.76Å; F183-V244 HydrophobicContact CB-CB 3.92Å; F183-V244 HydrophobicContact CB-CG2 4.43Å; F183-V244 PolarHBondContact N-O 3.39Å; F183-V244 PolarHBondContact O-N 2.96Å; C207-V244 HydrophobicContact CB-CG1 3.81Å; I208-V244 WeakPolarHBondContact O-CA 3.37Å; F209-V244 HydrophobicContact CD2-CG2 4.17Å; V244-R246 WeakPolarHBondContact CG1-O 3.47Å; V244-R246 PolarHBondContact O-N 2.91Å; V244-I247 HydrophobicContact CG1-CD1 3.86Å
245P98.3Very high95.7Very high2 Ų243.3 Ų43.31%0.01323%0.226CC..EExtended strand (participates in β ladder)trans-58.8-29.8-179.621.2-35.1000113.3F12 K16 T182 I208 L210F12-P245 HydrophobicContact CD2-CB 3.91Å; F12-P245 HydrophobicContact CE2-CB 3.91Å; F12-P245 HydrophobicContact CG-CB 4.49Å; F12-P245 HydrophobicContact CZ-CB 4.48Å; K16-P245 HydrophobicContact CB-CB 4.05Å; T182-P245 WeakPolarHBondContact CB-O 3.5Å; T182-P245 PolarHBondContact OG1-O 3.31Å; I208-P245 HydrophobicContact CB-CG 4.21Å; I208-P245 HydrophobicContact CG2-CG 4.16Å; I208-P245 VanDerWaalsContact O-CD 3.29Å; I208-P245 WeakPolarHBondContact O-CD 3.38Å; L210-P245 HydrophobicContact CD1-CG 3.88Å; L210-P245 HydrophobicContact CD2-CG 4.49Å; L210-P245 HydrophobicContact CG-CG 3.9Å
246R97.5Very high94.9Very high38 Ų3848.9 Ų48.914%0.14324%0.238CC..EExtended strand (participates in β ladder)trans-159.9160.1-178.272.9-169.8-57.1152.1-1114Y15 L18 C207 I208 V244 V248Y15-R246 WeakPolarHBondContact O-CD 3.23Å; Y15-R246 PolarHBondContact O-NH1 3.43Å; L18-R246 VanDerWaalsContact C-NH1 3.34Å; L18-R246 VanDerWaalsContact O-CZ 3.27Å; L18-R246 PolarHBondContact O-NH1 3.35Å; L18-R246 PolarHBondContact O-NH2 3.07Å; C207-R246 WeakPolarHBondContact CB-O 3.38Å; I208-R246 HydrophobicContact CB-CG 4.13Å; I208-R246 HydrophobicContact CG1-CG 3.77Å; I208-R246 PolarHBondContact N-O 3.34Å; V244-R246 WeakPolarHBondContact CG1-O 3.47Å; V244-R246 PolarHBondContact O-N 2.91Å; R246-V248 HydrophobicContact CG-CG2 3.86Å
247I98.2Very high94.1Very high6 Ų646 Ų463%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-97.9146.6160-50.5-48.8000108.8Y177 M178 L179 Q205 A206 C207 V244 R276Y177-I247 HydrophobicContact CD1-CD1 4.4Å; Y177-I247 HydrophobicContact CG-CD1 4.1Å; Y177-I247 HydrophobicContact CG-CG1 4.48Å; M178-I247 WeakPolarHBondContact O-CG1 3.43Å; L179-I247 HydrophobicContact CD2-CG2 3.98Å; Q205-I247 HydrophobicContact CB-CG2 3.96Å; A206-I247 WeakPolarHBondContact O-CG2 3.27Å; C207-I247 HydrophobicContact CB-CD1 3.71Å; V244-I247 HydrophobicContact CG1-CD1 3.86Å; I247-R276 HydrophobicContact CD1-CB 4.49Å; I247-R276 HydrophobicContact CG2-CB 3.99Å
248V96.7Very high92.9Very high3 Ų349 Ų492%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-125.6127.3-177.2-174.80000110.1A20 I24 A206 I208 R246 D250A20-V248 HydrophobicContact CB-CG1 3.73Å; I24-V248 HydrophobicContact CD1-CB 4.2Å; I24-V248 HydrophobicContact CD1-CG1 3.48Å; I24-V248 VanDerWaalsContact CD1-CG1 3.48Å; I24-V248 HydrophobicContact CG1-CB 4.48Å; I24-V248 HydrophobicContact CG1-CG1 4Å; I24-V248 HydrophobicContact CG1-CG2 4.47Å; A206-V248 PolarHBondContact N-O 3.3Å; A206-V248 PolarHBondContact O-N 2.91Å; I208-V248 HydrophobicContact CD1-CG2 4.21Å; I208-V248 HydrophobicContact CG1-CG2 4.09Å; R246-V248 HydrophobicContact CG-CG2 3.86Å; V248-D250 PolarHBondContact O-N 3.44Å
249K95.6Very high91.7Very high124 Ų12454 Ų5454%0.53930%0.295SS..  trans-72.4106.8168.4-170175.6-176.6178.90108.9L179L179-K249 HydrophobicContact CD1-CB 4.44Å; L179-K249 HydrophobicContact CD2-CB 4.21Å
250D92.9Very high90.8Very high68 Ų6859.8 Ų59.836%0.36432%0.317SS..  trans-124.3-29.5-171.3-172.550.1000112.3I24 A206 R226 V248I24-D250 HydrophobicContact CD1-CB 4.03Å; I24-D250 VanDerWaalsContact CD1-OD1 3.24Å; I24-D250 WeakPolarHBondContact CD1-OD1 3.39Å; A206-D250 HydrophobicContact CB-CB 3.73Å; R226-D250 IonicContact CZ-OD2 2.85Å; R226-D250 IonicContact NE-OD2 3.76Å; R226-D250 PolarHBondContact NE-OD2 3.35Å; V248-D250 PolarHBondContact O-N 3.44Å
251V93.4Very high90Very high53 Ų5361 Ų6132%0.32133%0.325SS..  trans-130.9146-171.164.10000111.3Q205 F253Q205-V251 PolarHBondContact NE2-O 2.85Å; Q205-V251 PolarHBondContact OE1-O 3.02Å; V251-F253 HydrophobicContact CG1-CD2 4.09Å; V251-F253 HydrophobicContact CG1-CE2 3.38Å; V251-F253 HydrophobicContact CG1-CZ 3.64Å; V251-F253 HydrophobicContact CG2-CZ 4.49Å
252Q95.3Very high89.5Confident112 Ų11260.4 Ų60.452%0.52333%0.33SS..  trans-112.1109.2166.9-173.870.93100108.4I254 N273Q252-I254 HydrophobicContact CG-CG1 4.49Å; Q252-I254 PolarHBondContact O-N 3.24Å; Q252-N273 WeakPolarHBondContact CA-OD1 3.46Å; Q252-N273 VanDerWaalsContact NE2-CG 3.32Å; Q252-N273 PolarHBondContact NE2-ND2 3.45Å; Q252-N273 PolarHBondContact NE2-OD1 2.97Å
253F93.5Very high89.1Confident32 Ų3263.7 Ų63.714%0.1436%0.359CS..  trans-72.9123.5171.3-59.9-88.1000109.2S227 V251 L269 L272 N273S227-F253 WeakPolarHBondContact OG-CZ 3.16Å; V251-F253 HydrophobicContact CG1-CD2 4.09Å; V251-F253 HydrophobicContact CG1-CE2 3.38Å; V251-F253 HydrophobicContact CG1-CZ 3.64Å; V251-F253 HydrophobicContact CG2-CZ 4.49Å; F253-L269 HydrophobicContact CB-CD1 3.5Å; F253-L269 HydrophobicContact CB-CG 4.21Å; F253-L272 HydrophobicContact CD2-CB 3.8Å; F253-L272 HydrophobicContact CE2-CB 3.95Å; F253-L272 HydrophobicContact CG-CB 4.41Å; F253-N273 PolarHBondContact N-OD1 2.79Å; F253-N273 PolarHBondContact O-ND2 2.84Å
254I89.4Confident88.8Confident102 Ų10266.7 Ų66.752%0.52337%0.373SS..  trans-109.7133.1-179.9-59.4172000108.6R91 Q252R91-I254 PolarHBondContact NH2-O 3.17Å; Q252-I254 HydrophobicContact CG-CG1 4.49Å; Q252-I254 PolarHBondContact O-N 3.24Å
255D82.2Confident88.5Confident24 Ų2469.3 Ų69.313%0.12839%0.387CS..  trans-93.799.3172.3-177.826.9000111.7R91 S257 A258 S261 L269R91-D255 IonicContact CZ-OD1 3.6Å; R91-D255 IonicContact NH1-OD1 3.28Å; R91-D255 PolarHBondContact NH1-OD1 2.87Å; D255-S257 PolarHBondContact O-N 3.4Å; D255-S257 PolarHBondContact OD1-N 3.42Å; D255-S257 VanDerWaalsContact OD1-N 3.08Å; D255-S257 PolarHBondContact OD1-OG 2.92Å; D255-A258 PolarHBondContact O-N 2.83Å; D255-A258 VanDerWaalsContact OD2-CA 3.25Å; D255-A258 WeakPolarHBondContact OD2-CA 3.47Å; D255-A258 PolarHBondContact OD2-N 3.27Å; D255-S261 WeakPolarHBondContact OD2-CB 3.42Å; D255-S261 PolarHBondContact OD2-OG 3.45Å; D255-L269 HydrophobicContact CB-CD2 3.6Å
256H80.4Confident88.2Confident171 Ų17172.1 Ų72.179%0.79241%0.406SS*.THydrogen-bonded Turntrans-68.5-14.6177-60-66000113.1
257S78.8Confident88.1Confident60 Ų6074.6 Ų74.642%0.4242%0.422SS..THydrogen-bonded Turntrans-103.320176.9480000113.6D255 A259 K260 S261D255-S257 PolarHBondContact O-N 3.4Å; D255-S257 PolarHBondContact OD1-N 3.42Å; D255-S257 VanDerWaalsContact OD1-N 3.08Å; D255-S257 PolarHBondContact OD1-OG 2.92Å; S257-A259 PolarHBondContact O-N 3Å; S257-K260 PolarHBondContact O-N 3.34Å; S257-S261 PolarHBondContact O-N 3.3Å; S257-S261 PolarHBondContact O-OG 3Å
258A70.7Confident88Confident67 Ų6774.6 Ų74.655%0.55442%0.422SS*.G310 helixtrans-46.4-33.4-172.100000115.5D255 K260 S261D255-A258 PolarHBondContact O-N 2.83Å; D255-A258 VanDerWaalsContact OD2-CA 3.25Å; D255-A258 WeakPolarHBondContact OD2-CA 3.47Å; D255-A258 PolarHBondContact OD2-N 3.27Å; A258-K260 PolarHBondContact O-N 3.3Å; A258-S261 PolarHBondContact O-N 2.97Å
259A73.7Confident87.9Confident109 Ų10975.8 Ų75.890%0.90143%0.428SS*.G310 helixtrans-67.4-16.7177.100000114.9S257S257-A259 PolarHBondContact O-N 3Å
260K78.1Confident87.9Confident195 Ų19573.3 Ų73.385%0.84842%0.421SS*.G310 helixtrans-117.2-4-179-64.9-176.1179.3-179.40113.2S257 A258S257-K260 PolarHBondContact O-N 3.34Å; A258-K260 PolarHBondContact O-N 3.3Å
261S80.7Confident88.1Confident27 Ų2770.9 Ų70.919%0.18941%0.407CS..  trans-77.6140.4-174.1-63.50000111.2D255 S257 A258D255-S261 WeakPolarHBondContact OD2-CB 3.42Å; D255-S261 PolarHBondContact OD2-OG 3.45Å; S257-S261 PolarHBondContact O-N 3.3Å; S257-S261 PolarHBondContact O-OG 3Å; A258-S261 PolarHBondContact O-N 2.97Å
262S88.5Confident88.3Confident50 Ų5068.5 Ų68.535%0.3539%0.392SS..  trans-69.4163.3175.570.30000110.9E264 D265 S266S262-E264 PolarHBondContact O-N 3.2Å; S262-D265 WeakPolarHBondContact CB-OD2 3.2Å; S262-D265 PolarHBondContact N-OD2 3.44Å; S262-D265 PolarHBondContact O-N 3.13Å; S262-D265 PolarHBondContact OG-N 3.41Å; S262-D265 VanDerWaalsContact OG-N 3.07Å; S262-D265 PolarHBondContact OG-OD2 3.24Å; S262-S266 PolarHBondContact O-N 3.33Å; S262-S266 VanDerWaalsContact O-N 3.13Å; S262-S266 PolarHBondContact O-OG 3.24Å; S262-S266 VanDerWaalsContact O-OG 3.12Å
263A90.7Very high88.4Confident81 Ų8163.6 Ų63.667%0.66937%0.37SS*.Hα-helixtrans-59.1-35.5172.100000111.5S266 L267A263-S266 WeakPolarHBondContact O-CB 3.33Å; A263-S266 PolarHBondContact O-N 3.33Å; A263-L267 WeakPolarHBondContact O-CG 3.43Å; A263-L267 PolarHBondContact O-N 2.98Å; A263-L267 VanDerWaalsContact O-N 3.09Å
264E91.8Very high88.5Confident63 Ų6366.8 Ų66.829%0.29438%0.383SS..Hα-helixtrans-64.8-47.1175.8-175.8-179.381.400111.8K95 V99 S262 S266 L267 I268K95-E264 WeakPolarHBondContact CE-OE1 3.37Å; K95-E264 IonicContact NZ-OE1 2.68Å; K95-E264 PolarHBondContact NZ-OE1 3.35Å; V99-E264 HydrophobicContact CG2-CG 4.3Å; S262-E264 PolarHBondContact O-N 3.2Å; E264-S266 PolarHBondContact O-N 2.93Å; E264-L267 PolarHBondContact O-N 3.08Å; E264-L267 VanDerWaalsContact O-N 3.09Å; E264-I268 HydrophobicContact CG-CD1 3.91Å; E264-I268 WeakPolarHBondContact O-CG1 3.24Å; E264-I268 PolarHBondContact O-N 3.44Å
265D91.8Very high88.9Confident69 Ų6964 Ų6437%0.36937%0.368SS..Hα-helixtrans-58.2-37.8176.7-63.7-47.2000111.5S262 I268 L269S262-D265 WeakPolarHBondContact CB-OD2 3.2Å; S262-D265 PolarHBondContact N-OD2 3.44Å; S262-D265 PolarHBondContact O-N 3.13Å; S262-D265 PolarHBondContact OG-N 3.41Å; S262-D265 VanDerWaalsContact OG-N 3.07Å; S262-D265 PolarHBondContact OG-OD2 3.24Å; D265-I268 PolarHBondContact O-N 2.82Å; D265-L269 WeakPolarHBondContact O-CB 3.47Å; D265-L269 PolarHBondContact O-N 3.35Å
266S92.9Very high89.7Confident60 Ų6063 Ų6342%0.4236%0.362SS..Hα-helixtrans-66.4-41.5177.2-59.30000112.1S262 A263 E264 L269 D270S262-S266 PolarHBondContact O-N 3.33Å; S262-S266 VanDerWaalsContact O-N 3.13Å; S262-S266 PolarHBondContact O-OG 3.24Å; S262-S266 VanDerWaalsContact O-OG 3.12Å; A263-S266 WeakPolarHBondContact O-CB 3.33Å; A263-S266 PolarHBondContact O-N 3.33Å; E264-S266 PolarHBondContact O-N 2.93Å; S266-L269 PolarHBondContact O-N 2.84Å; S266-D270 PolarHBondContact O-N 2.9Å
267L94.7Very high90.6Very high90 Ų9054.8 Ų54.847%0.47133%0.325SS..Hα-helixtrans-66.7-40.8175.7-70173.1000111.9L118 A263 E264 D270 Y271L118-L267 HydrophobicContact CD1-CB 4.12Å; L118-L267 HydrophobicContact CD2-CB 4.45Å; A263-L267 WeakPolarHBondContact O-CG 3.43Å; A263-L267 PolarHBondContact O-N 2.98Å; A263-L267 VanDerWaalsContact O-N 3.09Å; E264-L267 PolarHBondContact O-N 3.08Å; E264-L267 VanDerWaalsContact O-N 3.09Å; L267-D270 PolarHBondContact O-N 3.46Å; L267-Y271 WeakPolarHBondContact O-CB 3.44Å; L267-Y271 PolarHBondContact O-N 3.06Å
268I95.8Very high91.5Very high6 Ų652.7 Ų52.73%0.03131%0.309CS..Hα-helixtrans-62-44.5175.7-69.6163.6000110.4A94 K95 L98 V99 E264 D265 Y271 L272A94-I268 HydrophobicContact CB-CG2 3.88Å; K95-I268 HydrophobicContact CB-CD1 3.72Å; K95-I268 HydrophobicContact CD-CD1 4.36Å; K95-I268 HydrophobicContact CG-CD1 3.81Å; L98-I268 HydrophobicContact CD1-CB 4.37Å; L98-I268 HydrophobicContact CD1-CG1 4.1Å; L98-I268 HydrophobicContact CD1-CG2 4.01Å; V99-I268 HydrophobicContact CG2-CD1 4.36Å; E264-I268 HydrophobicContact CG-CD1 3.91Å; E264-I268 WeakPolarHBondContact O-CG1 3.24Å; E264-I268 PolarHBondContact O-N 3.44Å; D265-I268 PolarHBondContact O-N 2.82Å; I268-Y271 WeakPolarHBondContact O-CB 3.24Å; I268-Y271 PolarHBondContact O-N 2.73Å; I268-L272 HydrophobicContact CG2-CD1 4.28Å; I268-L272 WeakPolarHBondContact O-CG 3.28Å; I268-L272 PolarHBondContact O-N 3.48Å
269L95Very high92.8Very high28 Ų2849.6 Ų49.615%0.14728%0.283CS..Hα-helixtrans-63.6-43.5177.6-16681.5000112F253 D255 D265 S266 Y271 L272 N273F253-L269 HydrophobicContact CB-CD1 3.5Å; F253-L269 HydrophobicContact CB-CG 4.21Å; D255-L269 HydrophobicContact CB-CD2 3.6Å; D265-L269 WeakPolarHBondContact O-CB 3.47Å; D265-L269 PolarHBondContact O-N 3.35Å; S266-L269 PolarHBondContact O-N 2.84Å; L269-Y271 VanDerWaalsContact C-N 3.28Å; L269-Y271 PolarHBondContact O-N 2.91Å; L269-L272 PolarHBondContact O-N 3.46Å; L269-N273 WeakPolarHBondContact O-CB 3.44Å; L269-N273 PolarHBondContact O-N 2.86Å; L269-N273 PolarHBondContact O-ND2 3.14Å
270D95.2Very high94Very high73 Ų7345.6 Ų45.639%0.3925%0.246SC..Hα-helixtrans-61.3-39.7174.8-175.359000111.4S266 L267 N273 K274S266-D270 PolarHBondContact O-N 2.9Å; L267-D270 PolarHBondContact O-N 3.46Å; D270-N273 PolarHBondContact O-N 3.37Å; D270-K274 WeakPolarHBondContact O-CG 3.44Å; D270-K274 PolarHBondContact O-N 3.25Å; D270-K274 WeakPolarHBondContact OD1-CE 3.43Å; D270-K274 IonicContact OD1-NZ 3.6Å; D270-K274 PolarHBondContact OD1-NZ 2.8Å; D270-K274 IonicContact OD2-NZ 2.94Å; D270-K274 PolarHBondContact OD2-NZ 3.38Å
271Y97.3Very high95Very high17 Ų1736.3 Ų36.37%0.06721%0.206CC..Hα-helixtrans-60.2-52.1174.6-172.2-83.3000111.6L98 P117 L118 Y176 L267 I268 L269 N273 K274 H275 I277L98-Y271 HydrophobicContact CD1-CD1 3.76Å; L98-Y271 HydrophobicContact CD1-CE1 4.36Å; L98-Y271 HydrophobicContact CD1-CG 4.03Å; L98-Y271 HydrophobicContact CD2-CD1 3.74Å; L98-Y271 HydrophobicContact CD2-CD2 4.2Å; L98-Y271 HydrophobicContact CD2-CE1 3.58Å; L98-Y271 HydrophobicContact CD2-CE2 4.04Å; L98-Y271 HydrophobicContact CD2-CG 4.06Å; L98-Y271 HydrophobicContact CG-CD1 4.4Å; P117-Y271 HydrophobicContact CB-CE2 4.11Å; P117-Y271 VanDerWaalsContact O-CE2 3.29Å; P117-Y271 WeakPolarHBondContact O-CE2 3.43Å; L118-Y271 HydrophobicContact CD2-CD2 3.96Å; L118-Y271 HydrophobicContact CD2-CG 4.1Å; Y176-Y271 WeakPolarHBondContact CB-OH 3.38Å; Y176-Y271 WeakPolarHBondContact CD1-OH 3.24Å; L267-Y271 WeakPolarHBondContact O-CB 3.44Å; L267-Y271 PolarHBondContact O-N 3.06Å; I268-Y271 WeakPolarHBondContact O-CB 3.24Å; I268-Y271 PolarHBondContact O-N 2.73Å; L269-Y271 VanDerWaalsContact C-N 3.28Å; L269-Y271 PolarHBondContact O-N 2.91Å; Y271-N273 PolarHBondContact O-N 3Å; Y271-K274 CarbonylContact O-C 3.48Å; Y271-K274 PolarHBondContact O-N 2.8Å; Y271-H275 HydrophobicContact CD1-CB 3.81Å; Y271-H275 AromaticContact CD2-ND1 3.65Å; Y271-H275 HydrophobicContact CE1-CB 3.35Å; Y271-H275 AromaticContact CE1-CG 3.9Å; Y271-H275 HydrophobicContact CE2-CB 4.2Å; Y271-H275 AromaticContact CE2-CG 3.81Å; Y271-H275 AromaticContact CE2-ND1 3.72Å; Y271-H275 HydrophobicContact CG-CB 4.39Å; Y271-H275 AromaticContact CG-ND1 3.89Å; Y271-H275 AromaticContact CZ-CG 3.67Å; Y271-H275 WeakPolarHBondContact O-CB 3.49Å; Y271-H275 PolarHBondContact O-N 2.98Å; Y271-H275 PolarHBondContact O-ND1 3.34Å; Y271-H275 VanDerWaalsContact O-ND1 3.16Å; Y271-I277 HydrophobicContact CD1-CD1 4.36Å; Y271-I277 HydrophobicContact CE1-CD1 3.94Å; Y271-I277 HydrophobicContact CE1-CG1 3.84Å
272L97.5Very high95.8Very high2 Ų235.8 Ų35.81%0.0120%0.2CC..Hα-helixtrans-61.7-27.7179-67.3176.8000113.1A94 L203 Q205 F253 I268 L269 K274 I277A94-L272 HydrophobicContact CB-CD1 3.78Å; A94-L272 HydrophobicContact CB-CD2 3.84Å; A94-L272 HydrophobicContact CB-CG 4.14Å; L203-L272 HydrophobicContact CB-CD2 4.37Å; Q205-L272 PolarHBondContact NE2-O 3.24Å; F253-L272 HydrophobicContact CD2-CB 3.8Å; F253-L272 HydrophobicContact CE2-CB 3.95Å; F253-L272 HydrophobicContact CG-CB 4.41Å; I268-L272 HydrophobicContact CG2-CD1 4.28Å; I268-L272 WeakPolarHBondContact O-CG 3.28Å; I268-L272 PolarHBondContact O-N 3.48Å; L269-L272 PolarHBondContact O-N 3.46Å; L272-K274 PolarHBondContact O-N 2.69Å; L272-I277 HydrophobicContact CD2-CD1 4.44Å
273N97.2Very high96.2Very high10 Ų1034.4 Ų34.45%0.05319%0.188CC..THydrogen-bonded Turntrans-74.5-10.8174.5-80-44.3000114.2Q205 Q252 F253 L269 D270 Y271Q205-N273 PolarHBondContact NE2-O 3Å; Q252-N273 WeakPolarHBondContact CA-OD1 3.46Å; Q252-N273 VanDerWaalsContact NE2-CG 3.32Å; Q252-N273 PolarHBondContact NE2-ND2 3.45Å; Q252-N273 PolarHBondContact NE2-OD1 2.97Å; F253-N273 PolarHBondContact N-OD1 2.79Å; F253-N273 PolarHBondContact O-ND2 2.84Å; L269-N273 WeakPolarHBondContact O-CB 3.44Å; L269-N273 PolarHBondContact O-N 2.86Å; L269-N273 PolarHBondContact O-ND2 3.14Å; D270-N273 PolarHBondContact O-N 3.37Å; Y271-N273 PolarHBondContact O-N 3Å
274K96.4Very high96.3Very high98 Ų9830.6 Ų30.643%0.42616%0.156SC..THydrogen-bonded Turntrans-126.1-15.3-175.2-67171.6-175.6166.60113.8L179 D270 Y271 L272L179-K274 WeakPolarHBondContact CG-O 3.39Å; D270-K274 WeakPolarHBondContact O-CG 3.44Å; D270-K274 PolarHBondContact O-N 3.25Å; D270-K274 WeakPolarHBondContact OD1-CE 3.43Å; D270-K274 IonicContact OD1-NZ 3.6Å; D270-K274 PolarHBondContact OD1-NZ 2.8Å; D270-K274 IonicContact OD2-NZ 2.94Å; D270-K274 PolarHBondContact OD2-NZ 3.38Å; Y271-K274 CarbonylContact O-C 3.48Å; Y271-K274 PolarHBondContact O-N 2.8Å; L272-K274 PolarHBondContact O-N 2.69Å
275H97.9Very high96.3Very high45 Ų4531.1 Ų31.121%0.20816%0.161CC..EExtended strand (participates in β ladder)trans-138.7167.6-170.3-57.990.6000111.5Y177 Q205 Y271Y177-H275 WeakPolarHBondContact O-CA 3.35Å; Y177-H275 WeakPolarHBondContact O-CB 3.19Å; Q205-H275 PolarHBondContact N-O 3.41Å; Y271-H275 HydrophobicContact CD1-CB 3.81Å; Y271-H275 AromaticContact CD2-ND1 3.65Å; Y271-H275 HydrophobicContact CE1-CB 3.35Å; Y271-H275 AromaticContact CE1-CG 3.9Å; Y271-H275 HydrophobicContact CE2-CB 4.2Å; Y271-H275 AromaticContact CE2-CG 3.81Å; Y271-H275 AromaticContact CE2-ND1 3.72Å; Y271-H275 HydrophobicContact CG-CB 4.39Å; Y271-H275 AromaticContact CG-ND1 3.89Å; Y271-H275 AromaticContact CZ-CG 3.67Å; Y271-H275 WeakPolarHBondContact O-CB 3.49Å; Y271-H275 PolarHBondContact O-N 2.98Å; Y271-H275 PolarHBondContact O-ND1 3.34Å; Y271-H275 VanDerWaalsContact O-ND1 3.16Å
276R98.4Very high96.5Very high1 Ų129.2 Ų29.20%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-123142.5171.8173.3-174.6179.9883.8109.5Y177 S202 L203 Q205 L225 I247 N278Y177-R276 HydrophobicContact CD2-CG 4.42Å; Y177-R276 PolarHBondContact N-O 2.97Å; Y177-R276 PolarHBondContact O-N 3.36Å; S202-R276 VanDerWaalsContact CB-NH2 3.28Å; S202-R276 PolarHBondContact OG-NH2 3.07Å; L203-R276 CarbonylContact O-C 3.56Å; L203-R276 WeakPolarHBondContact O-CA 3.38Å; Q205-R276 HydrophobicContact CB-CB 4.45Å; Q205-R276 WeakPolarHBondContact O-CB 3.37Å; Q205-R276 WeakPolarHBondContact O-CD 3.3Å; Q205-R276 VanDerWaalsContact O-CG 3.31Å; Q205-R276 WeakPolarHBondContact O-CG 3.43Å; Q205-R276 PolarHBondContact O-NH1 2.72Å; L225-R276 PolarHBondContact O-NH1 3.11Å; I247-R276 HydrophobicContact CD1-CB 4.49Å; I247-R276 HydrophobicContact CG2-CB 3.99Å; R276-N278 PolarHBondContact NE-OD1 2.98Å; R276-N278 PolarHBondContact NH2-OD1 2.68Å
277I98.7Very high96.7Very high0 Ų027.6 Ų27.60%014%0.136CC..EExtended strand (participates in β ladder)trans-116.3135.9170.2-50.5170.5000108.1C97 L98 V174 N175 Y176 L203 Y271 L272C97-I277 HydrophobicContact CB-CD1 4.22Å; C97-I277 HydrophobicContact CB-CG2 4.14Å; L98-I277 HydrophobicContact CD1-CD1 4.02Å; L98-I277 HydrophobicContact CD2-CD1 3.82Å; L98-I277 HydrophobicContact CG-CD1 3.77Å; V174-I277 HydrophobicContact CG1-CG2 3.54Å; N175-I277 CarbonylContact O-C 3.3Å; N175-I277 VanDerWaalsContact O-CA 3.25Å; N175-I277 WeakPolarHBondContact O-CA 3.43Å; Y176-I277 HydrophobicContact CD1-CG1 4.19Å; L203-I277 HydrophobicContact CB-CB 4.2Å; L203-I277 PolarHBondContact N-O 3.16Å; L203-I277 PolarHBondContact O-N 3.31Å; Y271-I277 HydrophobicContact CD1-CD1 4.36Å; Y271-I277 HydrophobicContact CE1-CD1 3.94Å; Y271-I277 HydrophobicContact CE1-CG1 3.84Å; L272-I277 HydrophobicContact CD2-CD1 4.44Å
278N98.6Very high96.8Very high15 Ų1524.1 Ų24.18%0.0812%0.118CC..EExtended strand (participates in β ladder)trans-115.7121.8162-86.253.9000109.7V174 N175 Y177 S200 I201 R276 N280V174-N278 CarbonylContact C-O 3.58Å; V174-N278 WeakPolarHBondContact CA-O 3.47Å; N175-N278 HydrophobicContact CB-CB 4.44Å; N175-N278 PolarHBondContact N-O 2.93Å; N175-N278 PolarHBondContact O-N 3.34Å; Y177-N278 HydrophobicContact CE2-CB 4.16Å; S200-N278 PolarHBondContact OG-ND2 2.79Å; I201-N278 VanDerWaalsContact O-CA 3.28Å; I201-N278 WeakPolarHBondContact O-CA 3.46Å; R276-N278 PolarHBondContact NE-OD1 2.98Å; R276-N278 PolarHBondContact NH2-OD1 2.68Å; N278-N280 PolarHBondContact O-ND2 3.25Å
279L98.6Very high96.9Very high2 Ų225.2 Ų25.21%0.0112%0.123CC..EExtended strand (participates in β ladder)trans-93.9117.8166.4169.260.4000108.7W93 M151 L154 V174 S200 I201 L281W93-L279 HydrophobicContact CE3-CD2 3.75Å; W93-L279 HydrophobicContact CH2-CD2 4.4Å; W93-L279 HydrophobicContact CZ3-CD2 3.53Å; M151-L279 HydrophobicContact CE-CD1 3.51Å; M151-L279 HydrophobicContact CG-CD1 4.33Å; M151-L279 HydrophobicContact CG-CD2 4.34Å; M151-L279 HydrophobicContact SD-CD1 3.88Å; L154-L279 HydrophobicContact CD2-CD2 3.91Å; V174-L279 HydrophobicContact CG2-CD1 3.86Å; S200-L279 CarbonylContact C-O 3.54Å; S200-L279 VanDerWaalsContact CA-O 3.27Å; S200-L279 WeakPolarHBondContact CA-O 3.2Å; I201-L279 HydrophobicContact CB-CB 4.45Å; I201-L279 PolarHBondContact N-O 3.08Å; I201-L279 PolarHBondContact O-N 2.82Å; L279-L281 HydrophobicContact CD1-CD2 3.99Å; L279-L281 HydrophobicContact CD2-CD2 4.42Å; L279-L281 HydrophobicContact CG-CD2 4.11Å
280N98.4Very high97Very high26 Ų2625 Ų2514%0.13912%0.122CC..EExtended strand (participates in β ladder)trans-112.2126.1-179.7-55.8-87.6000109.4S172 I173 N175 I199 S200 N278S172-N280 CarbonylContact C-O 3.49Å; S172-N280 WeakPolarHBondContact CA-O 3.43Å; S172-N280 WeakPolarHBondContact CB-O 3.45Å; I173-N280 PolarHBondContact N-O 3.27Å; I173-N280 PolarHBondContact O-N 3.32Å; I173-N280 PolarHBondContact O-ND2 3.29Å; N175-N280 PolarHBondContact ND2-ND2 3.09Å; N175-N280 VanDerWaalsContact ND2-ND2 3.14Å; I199-N280 CarbonylContact O-C 3.59Å; I199-N280 WeakPolarHBondContact O-CA 3.41Å; S200-N280 VanDerWaalsContact CB-OD1 3.3Å; S200-N280 WeakPolarHBondContact CB-OD1 3.4Å; S200-N280 PolarHBondContact OG-OD1 3.09Å; N278-N280 PolarHBondContact O-ND2 3.25Å
281L98.5Very high97.1Very high0 Ų021.8 Ų21.80%010%0.104CC..EExtended strand (participates in β ladder)trans-106.3137.3179-54179.7000109.6M151 L154 Y167 P169 I199 L279M151-L281 HydrophobicContact CB-CD2 3.88Å; M151-L281 HydrophobicContact CG-CD2 4.15Å; M151-L281 HydrophobicContact SD-CD2 4.31Å; L154-L281 HydrophobicContact CB-CD1 4.38Å; L154-L281 HydrophobicContact CD2-CD1 3.85Å; L154-L281 HydrophobicContact CG-CD1 4.03Å; Y167-L281 PolarHBondContact OH-O 3.34Å; P169-L281 HydrophobicContact CB-CB 4.09Å; P169-L281 HydrophobicContact CB-CD2 4.29Å; P169-L281 HydrophobicContact CG-CB 3.86Å; P169-L281 HydrophobicContact CG-CD1 3.94Å; P169-L281 HydrophobicContact CG-CD2 4.31Å; P169-L281 HydrophobicContact CG-CG 4.26Å; I199-L281 HydrophobicContact CB-CB 4.33Å; I199-L281 PolarHBondContact N-O 2.93Å; I199-L281 PolarHBondContact O-N 2.94Å; L279-L281 HydrophobicContact CD1-CD2 3.99Å; L279-L281 HydrophobicContact CD2-CD2 4.42Å; L279-L281 HydrophobicContact CG-CD2 4.11Å
282R97.6Very high97.1Very high15 Ų1522.1 Ų22.16%0.05711%0.106CC..EExtended strand (participates in β ladder)trans-139.9136.7-174.4-59.5171.6173.6-132.47.3108.8Y140 P169 E170 A171 D188 E191 L198Y140-R282 WeakPolarHBondContact OH-CD 3.48Å; P169-R282 CarbonylContact C-O 3.49Å; P169-R282 WeakPolarHBondContact CA-O 3.41Å; E170-R282 PolarHBondContact N-O 3.25Å; A171-R282 HydrophobicContact CB-CB 4.23Å; A171-R282 PolarHBondContact N-O 3.13Å; A171-R282 WeakPolarHBondContact O-CB 3.44Å; A171-R282 PolarHBondContact O-N 3.39Å; D188-R282 IonicContact OD1-CZ 3.9Å; D188-R282 IonicContact OD1-NH1 3.68Å; D188-R282 IonicContact OD1-NH2 3.08Å; D188-R282 PolarHBondContact OD1-NH2 2.64Å; D188-R282 IonicContact OD2-CZ 3.75Å; D188-R282 IonicContact OD2-NH2 2.74Å; D188-R282 PolarHBondContact OD2-NH2 3.04Å; E191-R282 HydrophobicContact CG-CB 4.38Å; E191-R282 WeakPolarHBondContact OE1-CD 3.28Å; E191-R282 IonicContact OE1-CZ 3.39Å; E191-R282 IonicContact OE1-NE 3.56Å; E191-R282 IonicContact OE1-NH1 2.74Å; E191-R282 PolarHBondContact OE1-NH1 3.49Å; L198-R282 HydrophobicContact CD2-CG 3.77Å
283Q96.9Very high97.1Very high22 Ų2223.7 Ų23.710%0.10311%0.114CC..  trans-102.1127.6164.3-173.2175.7-29.400106.8Y167 R168 E170 H196 D285Y167-Q283 VanDerWaalsContact CA-OE1 3.3Å; Y167-Q283 HydrophobicContact CD2-CB 4.1Å; Y167-Q283 HydrophobicContact CE2-CB 3.86Å; R168-Q283 WeakPolarHBondContact O-CB 3.2Å; R168-Q283 VanDerWaalsContact O-CG 3.31Å; R168-Q283 WeakPolarHBondContact O-CG 3.42Å; E170-Q283 HydrophobicContact CG-CG 4.2Å; H196-Q283 HydrophobicContact CB-CB 4.08Å; H196-Q283 VanDerWaalsContact CD2-CD 3.49Å; H196-Q283 PolarHBondContact CD2-NE2 3.07Å; H196-Q283 PolarHBondContact NE2-NE2 3.21Å; H196-Q283 VanDerWaalsContact NE2-NE2 3.14Å; Q283-D285 WeakPolarHBondContact CG-O 3.38Å; Q283-D285 PolarHBondContact NE2-O 2.78Å
284V94.2Very high97.1Very high0 Ų024.8 Ų24.80%012%0.119CC..  trans-88.8-40.8-169.21760000110.4Y131 Y140 E170 A171 R192 N193Y131-V284 HydrophobicContact CD2-CB 3.79Å; Y131-V284 HydrophobicContact CD2-CG1 4.2Å; Y131-V284 HydrophobicContact CD2-CG2 3.66Å; Y131-V284 HydrophobicContact CE2-CB 4.08Å; Y131-V284 HydrophobicContact CE2-CG1 4.43Å; Y131-V284 HydrophobicContact CE2-CG2 4.43Å; Y131-V284 HydrophobicContact CG-CG2 4.21Å; Y140-V284 HydrophobicContact CD1-CG2 4.12Å; Y140-V284 HydrophobicContact CD2-CB 4.46Å; Y140-V284 HydrophobicContact CD2-CG1 3.74Å; Y140-V284 HydrophobicContact CD2-CG2 3.9Å; Y140-V284 HydrophobicContact CE1-CG2 4.15Å; Y140-V284 HydrophobicContact CE2-CG1 4.49Å; Y140-V284 HydrophobicContact CE2-CG2 3.96Å; Y140-V284 HydrophobicContact CG-CG1 3.87Å; Y140-V284 HydrophobicContact CG-CG2 3.99Å; E170-V284 HydrophobicContact CB-CB 4.43Å; E170-V284 HydrophobicContact CB-CG2 4.28Å; E170-V284 WeakPolarHBondContact OE2-CA 3.48Å; E170-V284 PolarHBondContact OE2-N 2.46Å; A171-V284 HydrophobicContact CB-CG2 3.65Å; R192-V284 WeakPolarHBondContact CA-O 3.04Å; R192-V284 WeakPolarHBondContact CB-O 3.45Å; R192-V284 HydrophobicContact CG-CG1 4.34Å; R192-V284 PolarHBondContact N-O 3.49Å; N193-V284 PolarHBondContact N-O 3.32Å
285D90.6Very high97.1Very high74 Ų7418.2 Ų18.240%0.3969%0.091SC..  trans-110.50-175.4-58.5-44.4000113.2Y131 E170 R192 N193 Q283Y131-D285 PolarHBondContact OH-OD2 3.34Å; E170-D285 PolarHBondContact OE2-N 3.29Å; R192-D285 VanDerWaalsContact CD-OD1 3.3Å; R192-D285 WeakPolarHBondContact CD-OD1 3.16Å; R192-D285 IonicContact CZ-OD1 3.62Å; R192-D285 IonicContact NE-OD1 2.83Å; R192-D285 IonicContact NH1-OD1 3.81Å; R192-D285 PolarHBondContact NH1-OD1 2.89Å; R192-D285 IonicContact NH1-OD2 3.53Å; R192-D285 PolarHBondContact NH1-OD2 3.12Å; N193-D285 VanDerWaalsContact CB-C 3.49Å; N193-D285 WeakPolarHBondContact CB-OXT 3.25Å; N193-D285 PolarHBondContact ND2-OXT 3.27Å; Q283-D285 WeakPolarHBondContact CG-O 3.38Å; Q283-D285 PolarHBondContact NE2-O 2.78Å

Retrieved 285 of 285 residues in 221.3 ms (Link to these results)

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