A0A077ZCD6_TRITR Loading...

Threonine synthase-like 2

AlphaFold DB , UniProt , Accession A0A077ZCD6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 383 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
1M90.5Very high97.2Very high98 Ų9852.5 Ų52.548%0.48326%0.256SS..  0-63.90-157.255.3-171.400113.1K3 L4 R9 K12 I13M1-K3 PolarHBondContact O-N 2.76Å; M1-L4 PolarHBondContact O-N 2.65Å; M1-L4 HydrophobicContact SD-CD1 4.08Å; M1-R9 HydrophobicContact CE-CB 4.18Å; M1-R9 HydrophobicContact CE-CG 3.34Å; M1-R9 WeakPolarHBondContact CE-O 3Å; M1-R9 HydrophobicContact CG-CG 4.13Å; M1-R9 PolarHBondContact O-NE 3.23Å; M1-R9 HydrophobicContact SD-CG 4.15Å; M1-K12 HydrophobicContact CE-CB 3.35Å; M1-K12 HydrophobicContact CE-CD 4.34Å; M1-K12 HydrophobicContact CE-CG 4.39Å; M1-K12 HydrophobicContact SD-CB 4.15Å; M1-K12 HydrophobicContact SD-CD 4.12Å; M1-I13 HydrophobicContact CE-CD1 4.29Å; M1-I13 HydrophobicContact CE-CG1 3.7Å
2L94.5Very high97.3Very high41 Ų4155 Ų5522%0.21526%0.264CS..THydrogen-bonded Turntrans-64-12.8-176-61.8175.6000116F182 V185 A186 L219L2-F182 HydrophobicContact CD2-CD1 4Å; L2-F182 WeakPolarHBondContact CD2-O 3.17Å; L2-V185 HydrophobicContact CD1-CG1 3.76Å; L2-V185 HydrophobicContact CD2-CB 4.38Å; L2-V185 HydrophobicContact CD2-CG1 4.24Å; L2-A186 HydrophobicContact CB-CB 4.28Å; L2-A186 HydrophobicContact CD2-CB 4.24Å; L2-A186 WeakPolarHBondContact O-CB 3.45Å; L2-L219 HydrophobicContact CD2-CD1 4.16Å
3K96.5Very high97.4Very high215 Ų21551.3 Ų51.394%0.93525%0.247SC*.THydrogen-bonded Turntrans-85.4-13.4177.8-61.6-174.7179.2-176.60114.5M1M1-K3 PolarHBondContact O-N 2.76Å
4L97.8Very high97.5Very high63 Ų6347.6 Ų47.633%0.3323%0.229SC..SBendtrans-73.2160.8176.8-59.6175.9000109.8M1 T8 R9 K12M1-L4 PolarHBondContact O-N 2.65Å; M1-L4 HydrophobicContact SD-CD1 4.08Å; L4-T8 HydrophobicContact CD1-CG2 4.43Å; L4-R9 HydrophobicContact CB-CB 4.12Å; L4-R9 VanDerWaalsContact O-CZ 3.27Å; L4-R9 PolarHBondContact O-NE 2.89Å; L4-R9 PolarHBondContact O-NH2 2.73Å; L4-K12 HydrophobicContact CD1-CD 3.81Å
5D98.3Very high97.5Very high85 Ų8546.3 Ų46.346%0.45523%0.227SC..  trans-67.6166.2169.766.486.3000111.9V7 T8 R9D5-V7 VanDerWaalsContact C-N 3.35Å; D5-V7 PolarHBondContact O-N 3.36Å; D5-V7 PolarHBondContact OD1-N 3.04Å; D5-T8 PolarHBondContact OD1-N 3.38Å; D5-T8 PolarHBondContact OD1-OG1 3.12Å; D5-T8 WeakPolarHBondContact OD2-CB 3.19Å; D5-T8 PolarHBondContact OD2-OG1 3.29Å; D5-R9 WeakPolarHBondContact O-CB 3.39Å; D5-R9 PolarHBondContact O-N 3.23Å
6F98.6Very high97.6Very high25 Ų2548.1 Ų48.111%0.1125%0.251CS..Hα-helixtrans-58.5-41.9-174.2-178.9-141.8000113.4S10 F35 F64 C179 E183F6-S10 WeakPolarHBondContact CD2-OG 3.46Å; F6-S10 WeakPolarHBondContact CE2-OG 3.41Å; F6-S10 VanDerWaalsContact O-CB 3.23Å; F6-S10 WeakPolarHBondContact O-CB 3.48Å; F6-S10 PolarHBondContact O-N 2.91Å; F6-S10 PolarHBondContact O-OG 2.59Å; F6-F35 HydrophobicContact CE1-CB 4Å; F6-F35 AromaticContact CE1-CD2 3.77Å; F6-F35 HydrophobicContact CE1-CD2 3.77Å; F6-F35 HydrophobicContact CE1-CG 4.13Å; F6-F35 HydrophobicContact CE2-CD2 4.26Å; F6-F35 HydrophobicContact CE2-CE2 4.45Å; F6-F35 AromaticContact CZ-CD2 3.62Å; F6-F35 HydrophobicContact CZ-CD2 3.62Å; F6-F35 HydrophobicContact CZ-CE2 4.01Å; F6-F35 HydrophobicContact CZ-CG 4.31Å; F6-F64 HydrophobicContact CE1-CD1 4.43Å; F6-F64 AromaticContact CE1-CE1 3.76Å; F6-F64 HydrophobicContact CE1-CE1 3.76Å; F6-F64 HydrophobicContact CZ-CD1 4.16Å; F6-F64 AromaticContact CZ-CE1 3.74Å; F6-F64 HydrophobicContact CZ-CE1 3.74Å; F6-C179 HydrophobicContact CE2-CB 4.2Å; F6-E183 VanDerWaalsContact CB-OE2 3.31Å; F6-E183 WeakPolarHBondContact CB-OE2 3.43Å; F6-E183 HydrophobicContact CD2-CB 3.61Å; F6-E183 HydrophobicContact CD2-CG 3.71Å; F6-E183 WeakPolarHBondContact CD2-OE2 3.2Å; F6-E183 HydrophobicContact CE2-CB 3.68Å; F6-E183 HydrophobicContact CE2-CG 4.02Å; F6-E183 HydrophobicContact CG-CB 4.46Å; F6-E183 HydrophobicContact CG-CG 4.07Å
7V98.6Very high97.6Very high17 Ų1749.9 Ų49.910%0.10326%0.257CS..Hα-helixtrans-71.6-54.2-175169.20000110.5D5 R9 S10 A11 E28 V31 R32D5-V7 VanDerWaalsContact C-N 3.35Å; D5-V7 PolarHBondContact O-N 3.36Å; D5-V7 PolarHBondContact OD1-N 3.04Å; V7-R9 VanDerWaalsContact C-N 3.25Å; V7-R9 PolarHBondContact O-N 3.38Å; V7-S10 WeakPolarHBondContact O-CB 3.42Å; V7-S10 PolarHBondContact O-N 3.47Å; V7-S10 VanDerWaalsContact O-N 3.15Å; V7-A11 PolarHBondContact O-N 2.99Å; V7-E28 HydrophobicContact CG1-CG 4.05Å; V7-V31 HydrophobicContact CG1-CG1 4.12Å; V7-R32 HydrophobicContact CG1-CB 3.73Å; V7-R32 HydrophobicContact CG1-CG 4.21Å
8T98.4Very high97.6Very high23 Ų2348.6 Ų48.614%0.14125%0.25CS..Hα-helixtrans-63.7-34.6179.7-57.90000111L4 D5 K12 E28L4-T8 HydrophobicContact CD1-CG2 4.43Å; D5-T8 PolarHBondContact OD1-N 3.38Å; D5-T8 PolarHBondContact OD1-OG1 3.12Å; D5-T8 WeakPolarHBondContact OD2-CB 3.19Å; D5-T8 PolarHBondContact OD2-OG1 3.29Å; T8-K12 PolarHBondContact O-N 3.47Å; T8-E28 PolarHBondContact OG1-OE1 2.82Å
9R98.6Very high97.6Very high9 Ų947.9 Ų47.93%0.03426%0.257CS..Hα-helixtrans-64.9-46.1173.8-162.6-175.3-40116.1-4.3111.6M1 L4 D5 V7 A11 K12 I13 E183M1-R9 HydrophobicContact CE-CB 4.18Å; M1-R9 HydrophobicContact CE-CG 3.34Å; M1-R9 WeakPolarHBondContact CE-O 3Å; M1-R9 HydrophobicContact CG-CG 4.13Å; M1-R9 PolarHBondContact O-NE 3.23Å; M1-R9 HydrophobicContact SD-CG 4.15Å; L4-R9 HydrophobicContact CB-CB 4.12Å; L4-R9 VanDerWaalsContact O-CZ 3.27Å; L4-R9 PolarHBondContact O-NE 2.89Å; L4-R9 PolarHBondContact O-NH2 2.73Å; D5-R9 WeakPolarHBondContact O-CB 3.39Å; D5-R9 PolarHBondContact O-N 3.23Å; V7-R9 VanDerWaalsContact C-N 3.25Å; V7-R9 PolarHBondContact O-N 3.38Å; R9-A11 PolarHBondContact O-N 3.32Å; R9-K12 PolarHBondContact O-N 3.01Å; R9-I13 HydrophobicContact CG-CD1 4.22Å; R9-I13 WeakPolarHBondContact O-CG1 3.25Å; R9-I13 PolarHBondContact O-N 3.01Å; R9-E183 IonicContact CZ-OE2 3.67Å; R9-E183 IonicContact NH1-OE2 3.48Å; R9-E183 PolarHBondContact NH1-OE2 3.48Å; R9-E183 IonicContact NH2-OE2 3.89Å; R9-E183 PolarHBondContact NH2-OE2 3.23Å
10S98.8Very high97.5Very high1 Ų154.2 Ų54.21%0.00729%0.29CS..Hα-helixtrans-61.7-43.1179.1-63.20000111.9F6 V7 K12 I13 L14 C179F6-S10 WeakPolarHBondContact CD2-OG 3.46Å; F6-S10 WeakPolarHBondContact CE2-OG 3.41Å; F6-S10 VanDerWaalsContact O-CB 3.23Å; F6-S10 WeakPolarHBondContact O-CB 3.48Å; F6-S10 PolarHBondContact O-N 2.91Å; F6-S10 PolarHBondContact O-OG 2.59Å; V7-S10 WeakPolarHBondContact O-CB 3.42Å; V7-S10 PolarHBondContact O-N 3.47Å; V7-S10 VanDerWaalsContact O-N 3.15Å; S10-K12 VanDerWaalsContact C-N 3.32Å; S10-K12 PolarHBondContact O-N 2.84Å; S10-I13 PolarHBondContact O-N 3.45Å; S10-I13 VanDerWaalsContact O-N 3.15Å; S10-L14 WeakPolarHBondContact O-CB 3.47Å; S10-L14 VanDerWaalsContact O-CG 3.31Å; S10-L14 WeakPolarHBondContact O-CG 3.35Å; S10-L14 PolarHBondContact O-N 3.37Å; S10-C179 WeakPolarHBondContact OG-CB 3.41Å
11A98.5Very high97.5Very high0 Ų059.5 Ų59.50%031%0.313CS..Hα-helixtrans-57.5-42.8175.800000112.3V7 R9 L14 S15 L27 E28V7-A11 PolarHBondContact O-N 2.99Å; R9-A11 PolarHBondContact O-N 3.32Å; A11-L14 PolarHBondContact O-N 2.88Å; A11-S15 WeakPolarHBondContact O-CB 3.34Å; A11-S15 PolarHBondContact O-N 2.78Å; A11-L27 WeakPolarHBondContact O-CD2 3.28Å; A11-E28 HydrophobicContact CB-CB 3.77Å; A11-E28 HydrophobicContact CB-CG 4.09Å
12K98.4Very high97.8Very high83 Ų8355.2 Ų55.236%0.36129%0.292SS..Hα-helixtrans-65.3-40.3175-78.3-173.3-175.3-57.50113.4M1 L4 T8 R9 S10 A16M1-K12 HydrophobicContact CE-CB 3.35Å; M1-K12 HydrophobicContact CE-CD 4.34Å; M1-K12 HydrophobicContact CE-CG 4.39Å; M1-K12 HydrophobicContact SD-CB 4.15Å; M1-K12 HydrophobicContact SD-CD 4.12Å; L4-K12 HydrophobicContact CD1-CD 3.81Å; T8-K12 PolarHBondContact O-N 3.47Å; R9-K12 PolarHBondContact O-N 3.01Å; S10-K12 VanDerWaalsContact C-N 3.32Å; S10-K12 PolarHBondContact O-N 2.84Å; K12-A16 PolarHBondContact O-N 2.93Å
13I98.5Very high98Very high7 Ų756.5 Ų56.54%0.03630%0.303CS..Hα-helixtrans-62.4-47.6177.3-67.8161.2000110M1 R9 S10 A16 F17 I178 F182 L217M1-I13 HydrophobicContact CE-CD1 4.29Å; M1-I13 HydrophobicContact CE-CG1 3.7Å; R9-I13 HydrophobicContact CG-CD1 4.22Å; R9-I13 WeakPolarHBondContact O-CG1 3.25Å; R9-I13 PolarHBondContact O-N 3.01Å; S10-I13 PolarHBondContact O-N 3.45Å; S10-I13 VanDerWaalsContact O-N 3.15Å; I13-A16 WeakPolarHBondContact O-CB 3.27Å; I13-A16 PolarHBondContact O-N 3.02Å; I13-F17 WeakPolarHBondContact O-CD2 3.43Å; I13-I178 HydrophobicContact CG2-CB 4.29Å; I13-I178 HydrophobicContact CG2-CG2 3.72Å; I13-F182 HydrophobicContact CD1-CB 3.61Å; I13-F182 HydrophobicContact CD1-CD1 3.96Å; I13-F182 HydrophobicContact CD1-CD2 3.54Å; I13-F182 HydrophobicContact CD1-CE2 4.16Å; I13-F182 HydrophobicContact CD1-CG 3.42Å; I13-F182 VanDerWaalsContact CD1-CG 3.42Å; I13-F182 HydrophobicContact CG1-CD2 4.27Å; I13-F182 HydrophobicContact CG1-CE2 4.41Å; I13-F182 HydrophobicContact CG1-CG 4.33Å; I13-L217 HydrophobicContact CG2-CD1 3.99Å
14L98.6Very high97.9Very high0 Ų048.7 Ų48.70%027%0.269CS..Hα-helixtrans-68.5-40.9-178.5-67.1167.1000111.9S10 A11 A16 F17 I18 L27 V31 F68 L175S10-L14 WeakPolarHBondContact O-CB 3.47Å; S10-L14 VanDerWaalsContact O-CG 3.31Å; S10-L14 WeakPolarHBondContact O-CG 3.35Å; S10-L14 PolarHBondContact O-N 3.37Å; A11-L14 PolarHBondContact O-N 2.88Å; L14-A16 PolarHBondContact O-N 3.36Å; L14-F17 PolarHBondContact O-N 3.22Å; L14-I18 HydrophobicContact CB-CD1 4.26Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 3.47Å; L14-L27 HydrophobicContact CB-CD2 3.83Å; L14-V31 HydrophobicContact CD1-CG2 3.58Å; L14-F68 HydrophobicContact CD1-CD2 4.24Å; L14-F68 HydrophobicContact CD1-CE1 4.29Å; L14-F68 HydrophobicContact CD1-CE2 3.64Å; L14-F68 HydrophobicContact CD1-CZ 3.66Å; L14-F68 HydrophobicContact CD2-CE1 4.24Å; L14-F68 HydrophobicContact CD2-CZ 4.25Å; L14-F68 HydrophobicContact CG-CZ 4.43Å; L14-L175 HydrophobicContact CD2-CB 3.66Å; L14-L175 WeakPolarHBondContact CD2-O 3.23Å
15S98.2Very high97.9Very high28 Ų2851.8 Ų51.820%0.19628%0.282CS..Hα-helixtrans-58.3-31.9175.4176.10000112.3A11 F17 I18 G19A11-S15 WeakPolarHBondContact O-CB 3.34Å; A11-S15 PolarHBondContact O-N 2.78Å; S15-F17 PolarHBondContact O-N 3.2Å; S15-F17 VanDerWaalsContact O-N 3.17Å; S15-I18 PolarHBondContact O-N 3.45Å; S15-G19 PolarHBondContact O-N 2.93Å
16A98Very high97.9Very high75 Ų7550.4 Ų50.462%0.6227%0.274SS*.Hα-helixtrans-64.1-18.5175.700000114.2K12 I13 L14K12-A16 PolarHBondContact O-N 2.93Å; I13-A16 WeakPolarHBondContact O-CB 3.27Å; I13-A16 PolarHBondContact O-N 3.02Å; L14-A16 PolarHBondContact O-N 3.36Å
17F98.1Very high97.9Very high79 Ų7949.2 Ų49.235%0.34627%0.269SS..Hα-helixtrans-101.4-40.3173.2-65.9-90.3000112.7I13 L14 S15 G19 L175 I178 L217I13-F17 WeakPolarHBondContact O-CD2 3.43Å; L14-F17 PolarHBondContact O-N 3.22Å; S15-F17 PolarHBondContact O-N 3.2Å; S15-F17 VanDerWaalsContact O-N 3.17Å; F17-G19 VanDerWaalsContact C-N 3.33Å; F17-L175 HydrophobicContact CB-CD1 3.8Å; F17-L175 HydrophobicContact CB-CD2 4.29Å; F17-L175 HydrophobicContact CD1-CD2 3.83Å; F17-L175 HydrophobicContact CD2-CD2 4.02Å; F17-L175 HydrophobicContact CE1-CD2 4.1Å; F17-L175 HydrophobicContact CE2-CD2 4.27Å; F17-L175 HydrophobicContact CG-CD1 4.21Å; F17-L175 HydrophobicContact CG-CD2 3.79Å; F17-L175 HydrophobicContact CZ-CD2 4.31Å; F17-I178 HydrophobicContact CE2-CD1 3.66Å; F17-I178 HydrophobicContact CZ-CD1 3.7Å; F17-L217 HydrophobicContact CE2-CD1 3.55Å; F17-L217 HydrophobicContact CE2-CD2 3.91Å; F17-L217 HydrophobicContact CE2-CG 4.19Å; F17-L217 HydrophobicContact CZ-CD1 3.76Å; F17-L217 HydrophobicContact CZ-CD2 3.72Å; F17-L217 HydrophobicContact CZ-CG 3.98Å
18I97.6Very high97.9Very high26 Ų2650.4 Ų50.413%0.13327%0.274CS..Hα-helixtrans-71.7-31-176.4-64167.8000110.9L14 S15 E21 I22 L27L14-I18 HydrophobicContact CB-CD1 4.26Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 3.47Å; S15-I18 PolarHBondContact O-N 3.45Å; I18-E21 HydrophobicContact CG2-CB 3.88Å; I18-I22 HydrophobicContact CG2-CB 3.95Å; I18-I22 HydrophobicContact CG2-CD1 4.25Å; I18-I22 HydrophobicContact CG2-CG1 3.98Å; I18-L27 HydrophobicContact CD1-CD1 3.77Å; I18-L27 HydrophobicContact CD1-CD2 3.79Å; I18-L27 HydrophobicContact CD1-CG 4.46Å
19G96.9Very high97.9Very high36 Ų3655.5 Ų55.537%0.37130%0.296SS..G310 helixtrans63.7-136.7-178.400000111.7S15 F17 E21S15-G19 PolarHBondContact O-N 2.93Å; F17-G19 VanDerWaalsContact C-N 3.33Å; G19-E21 VanDerWaalsContact C-N 3.27Å; G19-E21 PolarHBondContact O-N 3.36Å
20D96.4Very high97.9Very high173 Ų17357.8 Ų57.893%0.92530%0.304SS*.G310 helixtrans-81.70.2-173.8-57.6-50.1000113.8I22D20-I22 PolarHBondContact O-N 3.37Å
21E97.7Very high97.9Very high165 Ų16557.7 Ų57.777%0.77130%0.304SS*.G310 helixtrans-67.8-33.8-177.7-64-178.4-15600112.9I18 G19I18-E21 HydrophobicContact CG2-CB 3.88Å; G19-E21 VanDerWaalsContact C-N 3.27Å; G19-E21 PolarHBondContact O-N 3.36Å
22I97.5Very high97.9Very high9 Ų963.7 Ų63.75%0.04633%0.327CS..SBendtrans-135.6119178.4-55.2176.5000108.5I18 D20 I26 L27 M72 I76I18-I22 HydrophobicContact CG2-CB 3.95Å; I18-I22 HydrophobicContact CG2-CD1 4.25Å; I18-I22 HydrophobicContact CG2-CG1 3.98Å; D20-I22 PolarHBondContact O-N 3.37Å; I22-I26 HydrophobicContact CG2-CB 4.2Å; I22-I26 HydrophobicContact CG2-CG2 3.92Å; I22-L27 HydrophobicContact CG2-CB 4.2Å; I22-M72 HydrophobicContact CD1-SD 3.74Å; I22-I76 HydrophobicContact CD1-CD1 4.4Å; I22-I76 HydrophobicContact CD1-CG1 4.42Å
23P97.6Very high97.9Very high67 Ų6761.8 Ų61.844%0.43533%0.326SS..  trans-52.4141.5175.3-28.935.6000112.9E25 I26 L27P23-E25 PolarHBondContact O-N 3.42Å; P23-I26 HydrophobicContact CB-CD1 4.14Å; P23-I26 HydrophobicContact CB-CG1 4.33Å; P23-I26 HydrophobicContact CG-CD1 3.92Å; P23-I26 PolarHBondContact O-N 2.88Å; P23-I26 VanDerWaalsContact O-N 3.16Å; P23-L27 PolarHBondContact O-N 3.17Å
24Q95.6Very high97.9Very high51 Ų5161.5 Ų61.524%0.23833%0.325CS..Hα-helixtrans-56.9-39.1-175.5165.9158.315.700112.3L27 E28Q24-L27 PolarHBondContact O-N 3.06Å; Q24-E28 PolarHBondContact O-N 2.8Å
25E97.1Very high97.8Very high129 Ų12961.8 Ų61.860%0.60333%0.326SS*.Hα-helixtrans-64.3-45.2-178.5-59.971.1-153.300110.6P23 E28 E29P23-E25 PolarHBondContact O-N 3.42Å; E25-E28 PolarHBondContact O-N 2.95Å; E25-E29 PolarHBondContact O-N 3.18Å; E25-E29 VanDerWaalsContact O-N 3.17Å
26I98.1Very high97.8Very high56 Ų5664 Ų6429%0.28735%0.346SS..Hα-helixtrans-62.8-46.6175.2-66.2173.4000109.6I22 P23 E28 E29 R30I22-I26 HydrophobicContact CG2-CB 4.2Å; I22-I26 HydrophobicContact CG2-CG2 3.92Å; P23-I26 HydrophobicContact CB-CD1 4.14Å; P23-I26 HydrophobicContact CB-CG1 4.33Å; P23-I26 HydrophobicContact CG-CD1 3.92Å; P23-I26 PolarHBondContact O-N 2.88Å; P23-I26 VanDerWaalsContact O-N 3.16Å; I26-E28 PolarHBondContact O-N 3.31Å; I26-E29 WeakPolarHBondContact O-CB 3.29Å; I26-E29 PolarHBondContact O-N 2.91Å; I26-E29 VanDerWaalsContact O-N 3.09Å; I26-R30 HydrophobicContact CG2-CG 4.31Å; I26-R30 VanDerWaalsContact O-CG 3.31Å; I26-R30 WeakPolarHBondContact O-CG 3.36Å; I26-R30 PolarHBondContact O-N 2.64Å
27L98.4Very high97.8Very high0 Ų061.5 Ų61.50%032%0.321CS..Hα-helixtrans-59.5-37.7179.7-172.360.9000111.7A11 L14 I18 I22 P23 Q24 R30 V31 F68 M72A11-L27 WeakPolarHBondContact O-CD2 3.28Å; L14-L27 HydrophobicContact CB-CD2 3.83Å; I18-L27 HydrophobicContact CD1-CD1 3.77Å; I18-L27 HydrophobicContact CD1-CD2 3.79Å; I18-L27 HydrophobicContact CD1-CG 4.46Å; I22-L27 HydrophobicContact CG2-CB 4.2Å; P23-L27 PolarHBondContact O-N 3.17Å; Q24-L27 PolarHBondContact O-N 3.06Å; L27-R30 PolarHBondContact O-N 3.16Å; L27-V31 HydrophobicContact CG-CG2 4.47Å; L27-V31 WeakPolarHBondContact O-CB 3.41Å; L27-V31 WeakPolarHBondContact O-CG2 3.48Å; L27-V31 PolarHBondContact O-N 2.88Å; L27-F68 HydrophobicContact CD1-CE2 4Å; L27-F68 HydrophobicContact CD1-CZ 4.06Å; L27-M72 HydrophobicContact CD1-CE 3.88Å; L27-M72 HydrophobicContact CD1-SD 3.98Å
28E98.4Very high97.9Very high42 Ų4261.2 Ų61.220%0.19633%0.327CS..Hα-helixtrans-63.9-41.7174.7-169.1173.2149.100112.6V7 T8 A11 Q24 E25 I26 R30 V31 R32V7-E28 HydrophobicContact CG1-CG 4.05Å; T8-E28 PolarHBondContact OG1-OE1 2.82Å; A11-E28 HydrophobicContact CB-CB 3.77Å; A11-E28 HydrophobicContact CB-CG 4.09Å; Q24-E28 PolarHBondContact O-N 2.8Å; E25-E28 PolarHBondContact O-N 2.95Å; I26-E28 PolarHBondContact O-N 3.31Å; E28-R30 VanDerWaalsContact C-N 3.35Å; E28-R30 PolarHBondContact O-N 2.81Å; E28-V31 PolarHBondContact O-N 3.37Å; E28-R32 VanDerWaalsContact O-CB 3.29Å; E28-R32 WeakPolarHBondContact O-CB 3.45Å; E28-R32 PolarHBondContact O-N 2.78Å; E28-R32 IonicContact OE1-NH2 2.81Å; E28-R32 PolarHBondContact OE1-NH2 2.98Å
29E98.6Very high97.9Very high129 Ų12960 Ų6060%0.60332%0.321SS*.Hα-helixtrans-59.4-45.5173.2-66.4174.6-166.400111.7E25 I26 R32 A33E25-E29 PolarHBondContact O-N 3.18Å; E25-E29 VanDerWaalsContact O-N 3.17Å; I26-E29 WeakPolarHBondContact O-CB 3.29Å; I26-E29 PolarHBondContact O-N 2.91Å; I26-E29 VanDerWaalsContact O-N 3.09Å; E29-R32 WeakPolarHBondContact O-CB 3.4Å; E29-R32 PolarHBondContact O-N 3.3Å; E29-A33 PolarHBondContact O-N 3.24Å; E29-A33 VanDerWaalsContact O-N 3.11Å
30R98.3Very high98Very high57 Ų5759.9 Ų59.922%0.21531%0.314CS..Hα-helixtrans-64.2-43.2178.8-56.6-41.3-77.6175.5-4.8111.7I26 L27 E28 A33 A34 Q71 M72 T74I26-R30 HydrophobicContact CG2-CG 4.31Å; I26-R30 VanDerWaalsContact O-CG 3.31Å; I26-R30 WeakPolarHBondContact O-CG 3.36Å; I26-R30 PolarHBondContact O-N 2.64Å; L27-R30 PolarHBondContact O-N 3.16Å; E28-R30 VanDerWaalsContact C-N 3.35Å; E28-R30 PolarHBondContact O-N 2.81Å; R30-A33 PolarHBondContact O-N 2.84Å; R30-A34 PolarHBondContact O-N 3.32Å; R30-Q71 HydrophobicContact CB-CB 4.06Å; R30-Q71 PolarHBondContact NE-O 3.15Å; R30-Q71 VanDerWaalsContact NE-O 3.13Å; R30-Q71 PolarHBondContact NH2-O 3.27Å; R30-Q71 VanDerWaalsContact NH2-OE1 3.16Å; R30-Q71 WeakPolarHBondContact O-CG 3.42Å; R30-M72 HydrophobicContact CB-CE 3.3Å; R30-M72 HydrophobicContact CG-CE 3.5Å; R30-T74 PolarHBondContact NH2-OG1 3.14Å
31V98.7Very high98.1Very high0 Ų052.7 Ų52.70%028%0.276CS..Hα-helixtrans-64.6-41.6176.4171.10000110.8V7 L14 L27 E28 A33 A34 F35 F68V7-V31 HydrophobicContact CG1-CG1 4.12Å; L14-V31 HydrophobicContact CD1-CG2 3.58Å; L27-V31 HydrophobicContact CG-CG2 4.47Å; L27-V31 WeakPolarHBondContact O-CB 3.41Å; L27-V31 WeakPolarHBondContact O-CG2 3.48Å; L27-V31 PolarHBondContact O-N 2.88Å; E28-V31 PolarHBondContact O-N 3.37Å; V31-A33 VanDerWaalsContact C-N 3.29Å; V31-A33 PolarHBondContact O-N 3.03Å; V31-A34 PolarHBondContact O-N 3.38Å; V31-A34 VanDerWaalsContact O-N 3.14Å; V31-F35 HydrophobicContact CG1-CD2 3.67Å; V31-F35 HydrophobicContact CG1-CE2 4.04Å; V31-F35 HydrophobicContact CG1-CG 4.19Å; V31-F35 PolarHBondContact O-N 3.36Å; V31-F68 HydrophobicContact CG2-CD2 4.14Å; V31-F68 HydrophobicContact CG2-CE2 3.83Å
32R98.7Very high98.2Very high126 Ų12645.8 Ų45.848%0.47525%0.248SC..Hα-helixtrans-59-40.5177.4-167.4173.9-61.4-75-2.5112.2V7 E28 E29V7-R32 HydrophobicContact CG1-CB 3.73Å; V7-R32 HydrophobicContact CG1-CG 4.21Å; E28-R32 VanDerWaalsContact O-CB 3.29Å; E28-R32 WeakPolarHBondContact O-CB 3.45Å; E28-R32 PolarHBondContact O-N 2.78Å; E28-R32 IonicContact OE1-NH2 2.81Å; E28-R32 PolarHBondContact OE1-NH2 2.98Å; E29-R32 WeakPolarHBondContact O-CB 3.4Å; E29-R32 PolarHBondContact O-N 3.3Å
33A98.3Very high98.2Very high43 Ų4351.3 Ų51.336%0.35528%0.277SS..Hα-helixtrans-70-37.3175.600000112.7E29 R30 V31 R67 Q71E29-A33 PolarHBondContact O-N 3.24Å; E29-A33 VanDerWaalsContact O-N 3.11Å; R30-A33 PolarHBondContact O-N 2.84Å; V31-A33 VanDerWaalsContact C-N 3.29Å; V31-A33 PolarHBondContact O-N 3.03Å; A33-R67 PolarHBondContact O-NH2 3.29Å; A33-Q71 HydrophobicContact CB-CG 4.3Å
34A98.4Very high98.2Very high0 Ų048.9 Ų48.90%026%0.261CS..Hα-helixtrans-72.4-54.417900000112.5R30 V31 A36 F37 R67 F68 Q71R30-A34 PolarHBondContact O-N 3.32Å; V31-A34 PolarHBondContact O-N 3.38Å; V31-A34 VanDerWaalsContact O-N 3.14Å; A34-A36 PolarHBondContact O-N 3.44Å; A34-A36 VanDerWaalsContact O-N 3.08Å; A34-F37 WeakPolarHBondContact O-CE1 3.46Å; A34-R67 HydrophobicContact CB-CB 4.09Å; A34-R67 PolarHBondContact O-NE 3.13Å; A34-F68 HydrophobicContact CB-CB 4.13Å; A34-Q71 HydrophobicContact CB-CG 4.02Å
35F98.3Very high98.4Very high7 Ų748.7 Ų48.73%0.03126%0.26CS..  trans-89.455.9-173.8-62.6-3.8000110.9F6 V31 F37 F64 F68 A176 C179F6-F35 HydrophobicContact CE1-CB 4Å; F6-F35 AromaticContact CE1-CD2 3.77Å; F6-F35 HydrophobicContact CE1-CD2 3.77Å; F6-F35 HydrophobicContact CE1-CG 4.13Å; F6-F35 HydrophobicContact CE2-CD2 4.26Å; F6-F35 HydrophobicContact CE2-CE2 4.45Å; F6-F35 AromaticContact CZ-CD2 3.62Å; F6-F35 HydrophobicContact CZ-CD2 3.62Å; F6-F35 HydrophobicContact CZ-CE2 4.01Å; F6-F35 HydrophobicContact CZ-CG 4.31Å; V31-F35 HydrophobicContact CG1-CD2 3.67Å; V31-F35 HydrophobicContact CG1-CE2 4.04Å; V31-F35 HydrophobicContact CG1-CG 4.19Å; V31-F35 PolarHBondContact O-N 3.36Å; F35-F37 PolarHBondContact O-N 3.13Å; F35-F64 HydrophobicContact CD1-CB 4.4Å; F35-F64 AromaticContact CD1-CD1 3.74Å; F35-F64 HydrophobicContact CD1-CD1 3.74Å; F35-F64 HydrophobicContact CD2-CD1 4.46Å; F35-F64 HydrophobicContact CE1-CB 3.83Å; F35-F64 AromaticContact CE1-CD1 3.84Å; F35-F64 HydrophobicContact CE1-CD1 3.84Å; F35-F64 HydrophobicContact CE1-CG 4.35Å; F35-F64 WeakPolarHBondContact CE1-O 3.24Å; F35-F64 HydrophobicContact CG-CD1 4.09Å; F35-F64 HydrophobicContact CZ-CB 4.36Å; F35-F64 HydrophobicContact CZ-CD1 4.24Å; F35-F68 HydrophobicContact CE1-CB 4.17Å; F35-A176 HydrophobicContact CE1-CB 4.49Å; F35-A176 HydrophobicContact CZ-CB 4.2Å; F35-C179 HydrophobicContact CE2-CB 3.79Å; F35-C179 HydrophobicContact CZ-CB 4.3Å
36A97.8Very high98.4Very high75 Ų7548.3 Ų48.362%0.6227%0.272SS*.  trans-78.224.9179.300000113.1A34A34-A36 PolarHBondContact O-N 3.44Å; A34-A36 VanDerWaalsContact O-N 3.08Å
37F98.5Very high98.4Very high22 Ų2247.5 Ų47.510%0.09627%0.268CS..SBendtrans-156.3154.2-174.745-88000110.3A34 F35 H55 D63 F64A34-F37 WeakPolarHBondContact O-CE1 3.46Å; F35-F37 PolarHBondContact O-N 3.13Å; F37-H55 HydrophobicContact CB-CB 4.47Å; F37-H55 WeakPolarHBondContact CB-O 3.47Å; F37-D63 HydrophobicContact CE1-CB 4.33Å; F37-D63 HydrophobicContact CE2-CB 4.03Å; F37-D63 HydrophobicContact CZ-CB 3.59Å; F37-F64 HydrophobicContact CD2-CD1 4.48Å; F37-F64 AromaticContact CD2-CE1 3.78Å; F37-F64 HydrophobicContact CD2-CE1 3.78Å; F37-F64 HydrophobicContact CD2-CE2 4.32Å; F37-F64 AromaticContact CD2-CZ 3.68Å; F37-F64 HydrophobicContact CD2-CZ 3.68Å; F37-F64 AromaticContact CE2-CD1 3.63Å; F37-F64 HydrophobicContact CE2-CD1 3.63Å; F37-F64 AromaticContact CE2-CD2 3.99Å; F37-F64 HydrophobicContact CE2-CD2 3.99Å; F37-F64 AromaticContact CE2-CE1 3.35Å; F37-F64 HydrophobicContact CE2-CE1 3.35Å; F37-F64 AromaticContact CE2-CE2 3.74Å; F37-F64 HydrophobicContact CE2-CE2 3.74Å; F37-F64 AromaticContact CE2-CG 3.93Å; F37-F64 HydrophobicContact CE2-CG 3.93Å; F37-F64 AromaticContact CE2-CZ 3.4Å; F37-F64 HydrophobicContact CE2-CZ 3.4Å; F37-F64 VanDerWaalsContact CE2-CZ 3.4Å; F37-F64 HydrophobicContact CZ-CD1 4.18Å; F37-F64 HydrophobicContact CZ-CE1 4.28Å; F37-F64 HydrophobicContact CZ-CG 4.39Å
38P98.5Very high98.4Very high72 Ų7247.5 Ų47.547%0.46827%0.268SS..  trans-80.9173.2-178.535.1-37.5000113H55P38-H55 HydrophobicContact CG-CB 4.06Å
39A98.8Very high98.4Very high1 Ų145.5 Ų45.51%0.00826%0.258CS..  trans-131.970.516700000109L51 L53 F64 E183 Q187A39-L51 HydrophobicContact CB-CD1 4.24Å; A39-L51 VanDerWaalsContact O-CD1 3.32Å; A39-L51 WeakPolarHBondContact O-CD1 3.32Å; A39-L53 HydrophobicContact CB-CD2 3.9Å; A39-F64 HydrophobicContact CB-CE1 4.44Å; A39-F64 HydrophobicContact CB-CZ 3.84Å; A39-E183 HydrophobicContact CB-CG 4.11Å; A39-Q187 PolarHBondContact O-NE2 3.32Å
40P98.7Very high98.4Very high34 Ų3439.3 Ų39.322%0.22123%0.23CC..  trans-71.9152.4-172.630.4-33.3000112E52 H55P40-E52 WeakPolarHBondContact CD-O 3.17Å; P40-E52 HydrophobicContact CG-CB 4.18Å; P40-E52 PolarHBondContact O-N 3.03Å; P40-H55 VanDerWaalsContact CG-CE1 3.47Å; P40-H55 WeakPolarHBondContact CG-CE1 3.28Å
41V98.7Very high98.4Very high21 Ų2136.6 Ų36.613%0.12722%0.219CC..EExtended strand (participates in β ladder)trans-97115.2167.8177.40000108.2C50 L51 A184 Q187 L188 L327V41-C50 CarbonylContact C-O 3.58Å; V41-C50 VanDerWaalsContact CA-O 3.28Å; V41-C50 WeakPolarHBondContact CA-O 3.49Å; V41-L51 HydrophobicContact CG2-CD1 3.92Å; V41-A184 HydrophobicContact CG2-CB 4.03Å; V41-Q187 HydrophobicContact CB-CB 4.43Å; V41-Q187 HydrophobicContact CG2-CB 4.21Å; V41-L188 HydrophobicContact CG1-CD2 4.11Å; V41-L327 HydrophobicContact CG1-CD2 3.68Å; V41-L327 HydrophobicContact CG2-CD2 4.47Å
42A98.7Very high98.5Very high21 Ų2138 Ų3817%0.17423%0.226CC..EExtended strand (participates in β ladder)trans-89.7133.117200000110.4V44 G49 C50 E52 Y303A42-V44 PolarHBondContact O-N 3.17Å; A42-G49 CarbonylContact O-C 3.54Å; A42-G49 WeakPolarHBondContact O-CA 3.39Å; A42-C50 PolarHBondContact N-O 3.31Å; A42-C50 PolarHBondContact O-N 3.36Å; A42-E52 HydrophobicContact CB-CG 4.25Å; A42-E52 WeakPolarHBondContact CB-OE1 3.35Å; A42-Y303 HydrophobicContact CB-CE2 3.84Å
43N98.1Very high98.5Very high125 Ų12532 Ų3267%0.66820%0.203SC*.EExtended strand (participates in β ladder)trans-73.4123.8171.8-74.271.1000109.7
44V98.6Very high98.5Very high15 Ų1530.9 Ų30.99%0.09119%0.191CC..  trans-106.3-44.9178.3-179.80000110.3A42 V48 C50 L298 L301 Y303 F328A42-V44 PolarHBondContact O-N 3.17Å; V44-V48 PolarHBondContact N-O 3.39Å; V44-C50 HydrophobicContact CG2-CB 3.85Å; V44-L298 HydrophobicContact CG1-CD2 3.71Å; V44-L301 HydrophobicContact CG1-CD1 4.48Å; V44-Y303 HydrophobicContact CG1-CD1 4.46Å; V44-Y303 HydrophobicContact CG1-CG 4.3Å; V44-Y303 HydrophobicContact CG2-CD1 3.9Å; V44-Y303 HydrophobicContact CG2-CD2 3.97Å; V44-Y303 HydrophobicContact CG2-CE1 4.23Å; V44-Y303 HydrophobicContact CG2-CE2 4.3Å; V44-Y303 HydrophobicContact CG2-CG 3.77Å; V44-F328 HydrophobicContact CB-CE1 4.34Å; V44-F328 HydrophobicContact CG1-CE1 4.48Å; V44-F328 HydrophobicContact CG2-CE1 3.86Å; V44-F328 HydrophobicContact CG2-CZ 3.94Å
45E98.4Very high98.5Very high48 Ų4834.5 Ų34.522%0.22421%0.207CC..SBendtrans-132.8178.2172.2-59.4-176.588.400109.7D47 V48 L301 Y313 R317E45-D47 PolarHBondContact O-N 2.88Å; E45-V48 HydrophobicContact CB-CB 4.03Å; E45-V48 HydrophobicContact CB-CG2 4.38Å; E45-V48 HydrophobicContact CG-CB 4.43Å; E45-V48 PolarHBondContact N-O 3.02Å; E45-V48 PolarHBondContact O-N 2.9Å; E45-V48 VanDerWaalsContact O-O 3.08Å; E45-L301 HydrophobicContact CG-CD1 3.76Å; E45-L301 HydrophobicContact CG-CD2 4.41Å; E45-Y313 PolarHBondContact OE2-OH 3.41Å; E45-R317 IonicContact OE1-NH1 2.83Å; E45-R317 VanDerWaalsContact OE2-CD 3.3Å; E45-R317 WeakPolarHBondContact OE2-CD 3.11Å; E45-R317 IonicContact OE2-CZ 2.97Å; E45-R317 IonicContact OE2-NE 3.36Å; E45-R317 IonicContact OE2-NH1 3.02Å; E45-R317 PolarHBondContact OE2-NH1 2.82Å
46S96.9Very high98.5Very high121 Ų12134.3 Ų34.385%0.84621%0.207SC*.SBendtrans-61.7-31.6175.951.70000113.3
47D98.3Very high98.5Very high38 Ų3832.7 Ų32.720%0.20319%0.19CC..SBendtrans-113.25.5-17864.3-27.2000113.1E45 R317 L320 Y325 G326E45-D47 PolarHBondContact O-N 2.88Å; D47-R317 IonicContact OD1-CZ 3.37Å; D47-R317 IonicContact OD1-NH1 3.98Å; D47-R317 PolarHBondContact OD1-NH1 3.24Å; D47-R317 IonicContact OD1-NH2 3.78Å; D47-R317 IonicContact OD2-CZ 2.59Å; D47-R317 IonicContact OD2-NH1 2.8Å; D47-R317 PolarHBondContact OD2-NH1 3.15Å; D47-R317 IonicContact OD2-NH2 2.88Å; D47-R317 PolarHBondContact OD2-NH2 3.18Å; D47-L320 HydrophobicContact CB-CD2 4.32Å; D47-L320 WeakPolarHBondContact OD2-CD2 3.29Å; D47-Y325 CarbonylContact O-C 3.13Å; D47-Y325 WeakPolarHBondContact O-CA 3.39Å; D47-Y325 WeakPolarHBondContact O-CD2 3.44Å; D47-G326 PolarHBondContact O-N 3.41Å
48V98.7Very high98.5Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-135.1132.6-176.3-177.10000112.2V44 E45 Y313 L316 L320 G326 F328V44-V48 PolarHBondContact N-O 3.39Å; E45-V48 HydrophobicContact CB-CB 4.03Å; E45-V48 HydrophobicContact CB-CG2 4.38Å; E45-V48 HydrophobicContact CG-CB 4.43Å; E45-V48 PolarHBondContact N-O 3.02Å; E45-V48 PolarHBondContact O-N 2.9Å; E45-V48 VanDerWaalsContact O-O 3.08Å; V48-Y313 HydrophobicContact CG1-CD2 4.14Å; V48-Y313 HydrophobicContact CG1-CE2 4.18Å; V48-L316 HydrophobicContact CG1-CD2 3.92Å; V48-L320 HydrophobicContact CG2-CD2 3.74Å; V48-G326 CarbonylContact C-O 3.53Å; V48-G326 WeakPolarHBondContact CA-O 3.3Å; V48-F328 HydrophobicContact CG1-CD1 3.77Å; V48-F328 HydrophobicContact CG1-CE1 3.82Å
49G98.7Very high98.5Very high0 Ų028.4 Ų28.40%017%0.165CC..EExtended strand (participates in β ladder)trans-121.3156.9167.800000113.2A42 Y325 G326 L327 F328A42-G49 CarbonylContact O-C 3.54Å; A42-G49 WeakPolarHBondContact O-CA 3.39Å; G49-Y325 PolarHBondContact N-OH 3.45Å; G49-G326 PolarHBondContact N-O 3.05Å; G49-L327 VanDerWaalsContact O-CA 3.32Å; G49-L327 WeakPolarHBondContact O-CA 3.49Å; G49-L327 WeakPolarHBondContact O-CD2 3.25Å; G49-F328 WeakPolarHBondContact O-CD1 3.28Å; G49-F328 PolarHBondContact O-N 3.26Å; G49-F328 VanDerWaalsContact O-N 3.08Å
50C98.9Very high98.4Very high0 Ų028.4 Ų28.40%016%0.164CC..EExtended strand (participates in β ladder)trans-104.6124.2169.6-176.20000109.4V41 A42 V44 E52 Y303 F328V41-C50 CarbonylContact C-O 3.58Å; V41-C50 VanDerWaalsContact CA-O 3.28Å; V41-C50 WeakPolarHBondContact CA-O 3.49Å; A42-C50 PolarHBondContact N-O 3.31Å; A42-C50 PolarHBondContact O-N 3.36Å; V44-C50 HydrophobicContact CG2-CB 3.85Å; C50-E52 PolarHBondContact O-N 3.12Å; C50-Y303 HydrophobicContact CB-CE1 3.98Å; C50-Y303 HydrophobicContact CB-CE2 4.43Å; C50-Y303 WeakPolarHBondContact CB-OH 3.4Å; C50-Y303 PolarHBondContact SG-OH 3.05Å; C50-F328 CarbonylContact C-O 3.59Å; C50-F328 WeakPolarHBondContact CA-O 3.41Å; C50-F328 HydrophobicContact CB-CD1 4.5Å; C50-F328 HydrophobicContact CB-CD2 4.45Å; C50-F328 HydrophobicContact CB-CE1 3.87Å; C50-F328 HydrophobicContact CB-CE2 3.8Å; C50-F328 HydrophobicContact CB-CZ 3.49Å; C50-F328 VanDerWaalsContact CB-CZ 3.49Å; C50-F328 WeakPolarHBondContact SG-CE2 3.25Å
51L98.9Very high98.4Very high0 Ų027.8 Ų27.80%016%0.158CC..EExtended strand (participates in β ladder)trans-83105.2167.6177.761.6000109A39 V41 L53 Y180 A184 F328 L329 G330A39-L51 HydrophobicContact CB-CD1 4.24Å; A39-L51 VanDerWaalsContact O-CD1 3.32Å; A39-L51 WeakPolarHBondContact O-CD1 3.32Å; V41-L51 HydrophobicContact CG2-CD1 3.92Å; L51-L53 HydrophobicContact CD1-CD2 4.21Å; L51-L53 HydrophobicContact CD2-CD1 4.34Å; L51-L53 HydrophobicContact CD2-CD2 3.79Å; L51-L53 HydrophobicContact CD2-CG 4.23Å; L51-L53 HydrophobicContact CG-CD2 3.66Å; L51-L53 HydrophobicContact CG-CG 3.99Å; L51-L53 PolarHBondContact O-N 3.16Å; L51-Y180 HydrophobicContact CD2-CD2 3.93Å; L51-A184 HydrophobicContact CD1-CB 3.73Å; L51-A184 HydrophobicContact CD2-CB 3.71Å; L51-A184 HydrophobicContact CG-CB 4.19Å; L51-F328 PolarHBondContact N-O 3.09Å; L51-L329 HydrophobicContact CB-CD2 3.78Å; L51-L329 HydrophobicContact CD2-CD2 3.69Å; L51-L329 HydrophobicContact CG-CD2 4.25Å; L51-G330 PolarHBondContact O-N 2.86Å
52E98.9Very high98.3Very high30 Ų3027.5 Ų27.514%0.1416%0.155CC..EExtended strand (participates in β ladder)trans-83.798.9-174-62.6-177.1158.400111.3P40 A42 C50 F54 H55 Y303P40-E52 WeakPolarHBondContact CD-O 3.17Å; P40-E52 HydrophobicContact CG-CB 4.18Å; P40-E52 PolarHBondContact O-N 3.03Å; A42-E52 HydrophobicContact CB-CG 4.25Å; A42-E52 WeakPolarHBondContact CB-OE1 3.35Å; C50-E52 PolarHBondContact O-N 3.12Å; E52-F54 VanDerWaalsContact C-N 3.31Å; E52-F54 HydrophobicContact CB-CD1 4.34Å; E52-F54 HydrophobicContact CB-CE1 3.75Å; E52-F54 HydrophobicContact CB-CE2 4.13Å; E52-F54 HydrophobicContact CB-CZ 3.62Å; E52-F54 HydrophobicContact CG-CE1 3.8Å; E52-F54 HydrophobicContact CG-CE2 4.43Å; E52-F54 HydrophobicContact CG-CZ 3.57Å; E52-F54 PolarHBondContact O-N 2.86Å; E52-H55 PolarHBondContact O-ND1 3.22Å; E52-H55 IonicContact OE2-CE1 3.9Å; E52-H55 PolarHBondContact OE2-CE1 2.94Å; E52-H55 VanDerWaalsContact OE2-CE1 3.24Å; E52-H55 IonicContact OE2-NE2 3.46Å; E52-Y303 WeakPolarHBondContact CG-OH 3.46Å; E52-Y303 VanDerWaalsContact OE1-CE2 3.25Å; E52-Y303 WeakPolarHBondContact OE1-CE2 3.41Å; E52-Y303 PolarHBondContact OE1-OH 3.35Å
53L98.9Very high98.3Very high0 Ų026.6 Ų26.60%015%0.147CC..  trans-95.217.3-175.9-59.1178.2000113.1A39 L51 A60 F61 F64 Y180 L329 G330A39-L53 HydrophobicContact CB-CD2 3.9Å; L51-L53 HydrophobicContact CD1-CD2 4.21Å; L51-L53 HydrophobicContact CD2-CD1 4.34Å; L51-L53 HydrophobicContact CD2-CD2 3.79Å; L51-L53 HydrophobicContact CD2-CG 4.23Å; L51-L53 HydrophobicContact CG-CD2 3.66Å; L51-L53 HydrophobicContact CG-CG 3.99Å; L51-L53 PolarHBondContact O-N 3.16Å; L53-A60 CarbonylContact O-C 3.58Å; L53-F61 HydrophobicContact CB-CB 3.39Å; L53-F61 HydrophobicContact CD1-CB 3.7Å; L53-F61 HydrophobicContact CG-CB 4.17Å; L53-F61 WeakPolarHBondContact O-CA 3.38Å; L53-F61 PolarHBondContact O-N 2.96Å; L53-F64 HydrophobicContact CB-CE2 4.2Å; L53-F64 HydrophobicContact CD2-CE2 3.97Å; L53-F64 HydrophobicContact CD2-CZ 4.44Å; L53-Y180 HydrophobicContact CD1-CD1 4.43Å; L53-Y180 HydrophobicContact CD1-CD2 3.88Å; L53-Y180 HydrophobicContact CD1-CE1 4.27Å; L53-Y180 HydrophobicContact CD1-CE2 3.72Å; L53-Y180 HydrophobicContact CD1-CG 4.25Å; L53-Y180 HydrophobicContact CD2-CD1 4.09Å; L53-Y180 HydrophobicContact CD2-CD2 3.95Å; L53-Y180 HydrophobicContact CD2-CG 3.68Å; L53-L329 HydrophobicContact CD1-CB 4.35Å; L53-L329 HydrophobicContact CD1-CD1 4.19Å; L53-G330 WeakPolarHBondContact CB-O 3.06Å; L53-G330 PolarHBondContact N-O 2.98Å
54F98.7Very high98.3Very high19 Ų1920.6 Ų20.68%0.08312%0.115CC..  trans-110.720.2-173.355-110.9000114.2E52 G56 L59 G330 A332 H333E52-F54 VanDerWaalsContact C-N 3.31Å; E52-F54 HydrophobicContact CB-CD1 4.34Å; E52-F54 HydrophobicContact CB-CE1 3.75Å; E52-F54 HydrophobicContact CB-CE2 4.13Å; E52-F54 HydrophobicContact CB-CZ 3.62Å; E52-F54 HydrophobicContact CG-CE1 3.8Å; E52-F54 HydrophobicContact CG-CE2 4.43Å; E52-F54 HydrophobicContact CG-CZ 3.57Å; E52-F54 PolarHBondContact O-N 2.86Å; F54-G56 VanDerWaalsContact C-N 3.28Å; F54-L59 HydrophobicContact CB-CB 4.5Å; F54-L59 VanDerWaalsContact CB-O 3.29Å; F54-L59 WeakPolarHBondContact CB-O 3.41Å; F54-L59 VanDerWaalsContact O-CA 3.29Å; F54-L59 WeakPolarHBondContact O-CA 3.47Å; F54-G330 WeakPolarHBondContact CD1-O 3.28Å; F54-A332 WeakPolarHBondContact CD1-O 3.46Å; F54-H333 HydrophobicContact CB-CB 3.88Å; F54-H333 HydrophobicContact CD2-CB 3.86Å; F54-H333 AromaticContact CD2-CD2 3.85Å; F54-H333 HydrophobicContact CG-CB 3.87Å
55H98.6Very high98.2Very high76 Ų7619.9 Ų19.935%0.35211%0.111SC..  trans-86.62.4176.9-71.581.1000113.7F37 P38 P40 E52F37-H55 HydrophobicContact CB-CB 4.47Å; F37-H55 WeakPolarHBondContact CB-O 3.47Å; P38-H55 HydrophobicContact CG-CB 4.06Å; P40-H55 VanDerWaalsContact CG-CE1 3.47Å; P40-H55 WeakPolarHBondContact CG-CE1 3.28Å; E52-H55 PolarHBondContact O-ND1 3.22Å; E52-H55 IonicContact OE2-CE1 3.9Å; E52-H55 PolarHBondContact OE2-CE1 2.94Å; E52-H55 VanDerWaalsContact OE2-CE1 3.24Å; E52-H55 IonicContact OE2-NE2 3.46Å
56G98.1Very high98.1Very high3 Ų317.6 Ų17.63%0.03110%0.1CC..SBendtrans-80.6172.9175.100000113.2F54 T58 L59 D63F54-G56 VanDerWaalsContact C-N 3.28Å; G56-T58 PolarHBondContact O-N 3.41Å; G56-L59 PolarHBondContact O-N 2.86Å; G56-D63 WeakPolarHBondContact CA-OD2 3.49Å
57P97.5Very high98.2Very high41 Ų4114.8 Ų14.827%0.2667%0.071SC..THydrogen-bonded Turntrans-63.7-13.8-173.726.9-36.8000114.7
58T98.1Very high98.2Very high0 Ų013.1 Ų13.10%06%0.062CC..THydrogen-bonded Turntrans-11912.7178.576.40000112.9G56 A60 D63 A94 H98 L124 K336G56-T58 PolarHBondContact O-N 3.41Å; T58-A60 PolarHBondContact O-N 3.33Å; T58-D63 WeakPolarHBondContact CB-OD1 3.33Å; T58-D63 WeakPolarHBondContact CG2-OD1 3.46Å; T58-D63 PolarHBondContact N-OD1 2.9Å; T58-D63 PolarHBondContact N-OD2 2.93Å; T58-D63 PolarHBondContact OG1-OD1 3.5Å; T58-D63 PolarHBondContact OG1-OD2 3.33Å; T58-A94 HydrophobicContact CG2-CB 4.16Å; T58-H98 HydrophobicContact CG2-CB 3.85Å; T58-H98 WeakPolarHBondContact CG2-ND1 3.39Å; T58-L124 WeakPolarHBondContact O-CD2 3.44Å; T58-K336 WeakPolarHBondContact O-CE 3.43Å; T58-K336 PolarHBondContact O-NZ 3.47Å
59L98.4Very high98.1Very high4 Ų413.3 Ų13.32%0.0216%0.063CC..SBendtrans54.437.7175.9-45.380.4000113.7F54 G56 D63 A332 H333 K336 P352 E354 L355F54-L59 HydrophobicContact CB-CB 4.5Å; F54-L59 VanDerWaalsContact CB-O 3.29Å; F54-L59 WeakPolarHBondContact CB-O 3.41Å; F54-L59 VanDerWaalsContact O-CA 3.29Å; F54-L59 WeakPolarHBondContact O-CA 3.47Å; G56-L59 PolarHBondContact O-N 2.86Å; L59-D63 PolarHBondContact N-OD2 3.38Å; L59-A332 WeakPolarHBondContact O-CA 3.45Å; L59-H333 HydrophobicContact CB-CB 3.63Å; L59-H333 HydrophobicContact CD2-CB 3.77Å; L59-H333 HydrophobicContact CG-CB 4.34Å; L59-H333 PolarHBondContact O-N 2.77Å; L59-K336 HydrophobicContact CB-CD 4.07Å; L59-K336 HydrophobicContact CB-CG 4.25Å; L59-K336 WeakPolarHBondContact O-CD 3.38Å; L59-P352 HydrophobicContact CD2-CB 3.86Å; L59-P352 HydrophobicContact CD2-CG 3.79Å; L59-E354 HydrophobicContact CD1-CB 3.52Å; L59-E354 HydrophobicContact CD1-CG 4.1Å; L59-L355 HydrophobicContact CD1-CG 4.31Å; L59-L355 HydrophobicContact CD2-CD1 4.38Å
60A98.3Very high98Very high0 Ų013.5 Ų13.50%07%0.065CC..BIsolated β-bridgetrans-150.7153.2176.400000112.1L53 T58 K62 D63 D91 T331 A332L53-A60 CarbonylContact O-C 3.58Å; T58-A60 PolarHBondContact O-N 3.33Å; A60-K62 PolarHBondContact O-N 3.49Å; A60-D63 WeakPolarHBondContact O-CB 3.29Å; A60-D63 PolarHBondContact O-N 2.88Å; A60-D91 HydrophobicContact CB-CB 3.56Å; A60-T331 VanDerWaalsContact CA-O 3.29Å; A60-T331 WeakPolarHBondContact CA-O 3.42Å; A60-A332 HydrophobicContact CB-CB 4.4Å
61F98.1Very high97.9Very high21 Ų2115.5 Ų15.59%0.0927%0.074CC..THydrogen-bonded Turntrans-58.4-18.5-177.782.6-82.1000114.3L53 D63 F64 D207 T331L53-F61 HydrophobicContact CB-CB 3.39Å; L53-F61 HydrophobicContact CD1-CB 3.7Å; L53-F61 HydrophobicContact CG-CB 4.17Å; L53-F61 WeakPolarHBondContact O-CA 3.38Å; L53-F61 PolarHBondContact O-N 2.96Å; F61-D63 PolarHBondContact O-N 3.2Å; F61-F64 WeakPolarHBondContact O-CD2 3.32Å; F61-F64 PolarHBondContact O-N 3.14Å; F61-D207 HydrophobicContact CE2-CB 4.06Å; F61-D207 HydrophobicContact CZ-CB 4.35Å; F61-T331 HydrophobicContact CD1-CG2 4.02Å; F61-T331 HydrophobicContact CE1-CG2 4.28Å; F61-T331 PolarHBondContact N-O 2.71Å
62K97.2Very high97.8Very high16 Ų1616 Ų167%0.078%0.077CC..Hα-helixtrans-67.6-17.3179.5-56.7-173.3-174.964.80111.9A60 F64 G65 G66 D91 T92 A95A60-K62 PolarHBondContact O-N 3.49Å; K62-F64 VanDerWaalsContact C-N 3.32Å; K62-F64 PolarHBondContact O-N 3.17Å; K62-G65 PolarHBondContact O-N 2.67Å; K62-G66 PolarHBondContact O-N 3.29Å; K62-D91 HydrophobicContact CD-CB 3.91Å; K62-D91 IonicContact NZ-OD2 3.81Å; K62-D91 PolarHBondContact NZ-OD2 2.86Å; K62-T92 HydrophobicContact CD-CG2 4.39Å; K62-T92 VanDerWaalsContact CD-N 3.26Å; K62-T92 WeakPolarHBondContact CD-OG1 3.45Å; K62-T92 WeakPolarHBondContact CE-OG1 3.39Å; K62-A95 VanDerWaalsContact C-CB 3.41Å; K62-A95 HydrophobicContact CB-CB 3.63Å; K62-A95 WeakPolarHBondContact O-CB 3.17Å
63D98.3Very high97.6Very high1 Ų115.8 Ų15.81%0.0058%0.076CC..Hα-helixtrans-56.5-42.4173.1-77-37.2000112.6F37 G56 T58 L59 A60 F61 R67F37-D63 HydrophobicContact CE1-CB 4.33Å; F37-D63 HydrophobicContact CE2-CB 4.03Å; F37-D63 HydrophobicContact CZ-CB 3.59Å; G56-D63 WeakPolarHBondContact CA-OD2 3.49Å; T58-D63 WeakPolarHBondContact CB-OD1 3.33Å; T58-D63 WeakPolarHBondContact CG2-OD1 3.46Å; T58-D63 PolarHBondContact N-OD1 2.9Å; T58-D63 PolarHBondContact N-OD2 2.93Å; T58-D63 PolarHBondContact OG1-OD1 3.5Å; T58-D63 PolarHBondContact OG1-OD2 3.33Å; L59-D63 PolarHBondContact N-OD2 3.38Å; A60-D63 WeakPolarHBondContact O-CB 3.29Å; A60-D63 PolarHBondContact O-N 2.88Å; F61-D63 PolarHBondContact O-N 3.2Å; D63-R67 VanDerWaalsContact O-CB 3.26Å; D63-R67 WeakPolarHBondContact O-CB 3.26Å; D63-R67 VanDerWaalsContact O-CG 3.25Å; D63-R67 WeakPolarHBondContact O-CG 3.27Å; D63-R67 PolarHBondContact O-N 2.89Å
64F98.4Very high97.3Very high0 Ų017.5 Ų17.50%09%0.087CC..Hα-helixtrans-56.9-58.5179.1-66.8-81.6000110.5F6 F35 F37 A39 L53 F61 K62 F68 Y180F6-F64 HydrophobicContact CE1-CD1 4.43Å; F6-F64 AromaticContact CE1-CE1 3.76Å; F6-F64 HydrophobicContact CE1-CE1 3.76Å; F6-F64 HydrophobicContact CZ-CD1 4.16Å; F6-F64 AromaticContact CZ-CE1 3.74Å; F6-F64 HydrophobicContact CZ-CE1 3.74Å; F35-F64 HydrophobicContact CD1-CB 4.4Å; F35-F64 AromaticContact CD1-CD1 3.74Å; F35-F64 HydrophobicContact CD1-CD1 3.74Å; F35-F64 HydrophobicContact CD2-CD1 4.46Å; F35-F64 HydrophobicContact CE1-CB 3.83Å; F35-F64 AromaticContact CE1-CD1 3.84Å; F35-F64 HydrophobicContact CE1-CD1 3.84Å; F35-F64 HydrophobicContact CE1-CG 4.35Å; F35-F64 WeakPolarHBondContact CE1-O 3.24Å; F35-F64 HydrophobicContact CG-CD1 4.09Å; F35-F64 HydrophobicContact CZ-CB 4.36Å; F35-F64 HydrophobicContact CZ-CD1 4.24Å; F37-F64 HydrophobicContact CD2-CD1 4.48Å; F37-F64 AromaticContact CD2-CE1 3.78Å; F37-F64 HydrophobicContact CD2-CE1 3.78Å; F37-F64 HydrophobicContact CD2-CE2 4.32Å; F37-F64 AromaticContact CD2-CZ 3.68Å; F37-F64 HydrophobicContact CD2-CZ 3.68Å; F37-F64 AromaticContact CE2-CD1 3.63Å; F37-F64 HydrophobicContact CE2-CD1 3.63Å; F37-F64 AromaticContact CE2-CD2 3.99Å; F37-F64 HydrophobicContact CE2-CD2 3.99Å; F37-F64 AromaticContact CE2-CE1 3.35Å; F37-F64 HydrophobicContact CE2-CE1 3.35Å; F37-F64 AromaticContact CE2-CE2 3.74Å; F37-F64 HydrophobicContact CE2-CE2 3.74Å; F37-F64 AromaticContact CE2-CG 3.93Å; F37-F64 HydrophobicContact CE2-CG 3.93Å; F37-F64 AromaticContact CE2-CZ 3.4Å; F37-F64 HydrophobicContact CE2-CZ 3.4Å; F37-F64 VanDerWaalsContact CE2-CZ 3.4Å; F37-F64 HydrophobicContact CZ-CD1 4.18Å; F37-F64 HydrophobicContact CZ-CE1 4.28Å; F37-F64 HydrophobicContact CZ-CG 4.39Å; A39-F64 HydrophobicContact CB-CE1 4.44Å; A39-F64 HydrophobicContact CB-CZ 3.84Å; L53-F64 HydrophobicContact CB-CE2 4.2Å; L53-F64 HydrophobicContact CD2-CE2 3.97Å; L53-F64 HydrophobicContact CD2-CZ 4.44Å; F61-F64 WeakPolarHBondContact O-CD2 3.32Å; F61-F64 PolarHBondContact O-N 3.14Å; K62-F64 VanDerWaalsContact C-N 3.32Å; K62-F64 PolarHBondContact O-N 3.17Å; F64-F68 VanDerWaalsContact O-CB 3.26Å; F64-F68 WeakPolarHBondContact O-CB 3.07Å; F64-F68 PolarHBondContact O-N 3.34Å; F64-Y180 HydrophobicContact CD2-CD1 4.01Å; F64-Y180 HydrophobicContact CD2-CE1 4.4Å; F64-Y180 HydrophobicContact CE2-CD1 4.43Å; F64-Y180 HydrophobicContact CG-CD1 4.18Å
65G96.8Very high97.1Very high0 Ų020.1 Ų20.10%010%0.099CC..Hα-helixtrans-65.5-44.8-178.800000113K62 F68 M69 R173K62-G65 PolarHBondContact O-N 2.67Å; G65-F68 PolarHBondContact O-N 2.87Å; G65-M69 WeakPolarHBondContact O-CB 3.12Å; G65-M69 PolarHBondContact O-N 2.81Å; G65-R173 WeakPolarHBondContact O-CD 3.31Å
66G96.2Very high97Very high0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-60.7-48.8-17700000111.7K62 M69 A70 A99K62-G66 PolarHBondContact O-N 3.29Å; G66-M69 PolarHBondContact O-N 3.27Å; G66-A70 PolarHBondContact O-N 2.66Å; G66-A70 VanDerWaalsContact O-N 3.07Å; G66-A99 VanDerWaalsContact C-CB 3.49Å; G66-A99 WeakPolarHBondContact O-CB 3.14Å
67R98.1Very high96.6Very high62 Ų6223.9 Ų23.923%0.23413%0.125CC..Hα-helixtrans-69.6-38.9179.8-64.7173.859.8794.6112.3A33 A34 D63 A70 Q71 A99A33-R67 PolarHBondContact O-NH2 3.29Å; A34-R67 HydrophobicContact CB-CB 4.09Å; A34-R67 PolarHBondContact O-NE 3.13Å; D63-R67 VanDerWaalsContact O-CB 3.26Å; D63-R67 WeakPolarHBondContact O-CB 3.26Å; D63-R67 VanDerWaalsContact O-CG 3.25Å; D63-R67 WeakPolarHBondContact O-CG 3.27Å; D63-R67 PolarHBondContact O-N 2.89Å; R67-A70 PolarHBondContact O-N 3.11Å; R67-Q71 WeakPolarHBondContact O-CG 3.38Å; R67-Q71 PolarHBondContact O-N 3.38Å; R67-A99 HydrophobicContact CG-CB 4.03Å
68F98.2Very high96.4Very high3 Ų323.2 Ų23.21%0.01313%0.125CC..Hα-helixtrans-63.4-43.6175179.2-107.6000111.6L14 L27 V31 A34 F35 F64 G65 A70 Q71 M72 A176L14-F68 HydrophobicContact CD1-CD2 4.24Å; L14-F68 HydrophobicContact CD1-CE1 4.29Å; L14-F68 HydrophobicContact CD1-CE2 3.64Å; L14-F68 HydrophobicContact CD1-CZ 3.66Å; L14-F68 HydrophobicContact CD2-CE1 4.24Å; L14-F68 HydrophobicContact CD2-CZ 4.25Å; L14-F68 HydrophobicContact CG-CZ 4.43Å; L27-F68 HydrophobicContact CD1-CE2 4Å; L27-F68 HydrophobicContact CD1-CZ 4.06Å; V31-F68 HydrophobicContact CG2-CD2 4.14Å; V31-F68 HydrophobicContact CG2-CE2 3.83Å; A34-F68 HydrophobicContact CB-CB 4.13Å; F35-F68 HydrophobicContact CE1-CB 4.17Å; F64-F68 VanDerWaalsContact O-CB 3.26Å; F64-F68 WeakPolarHBondContact O-CB 3.07Å; F64-F68 PolarHBondContact O-N 3.34Å; G65-F68 PolarHBondContact O-N 2.87Å; F68-A70 VanDerWaalsContact C-N 3.3Å; F68-A70 PolarHBondContact O-N 3.33Å; F68-Q71 WeakPolarHBondContact O-CB 3.5Å; F68-Q71 PolarHBondContact O-N 3.34Å; F68-Q71 VanDerWaalsContact O-N 3.15Å; F68-M72 HydrophobicContact CD1-CG 4.05Å; F68-M72 HydrophobicContact CD2-CE 4.45Å; F68-M72 HydrophobicContact CD2-CG 4.31Å; F68-M72 HydrophobicContact CE1-CG 3.57Å; F68-M72 HydrophobicContact CE1-SD 4.25Å; F68-M72 HydrophobicContact CE2-CE 3.72Å; F68-M72 HydrophobicContact CE2-CG 3.82Å; F68-M72 HydrophobicContact CE2-SD 3.86Å; F68-M72 HydrophobicContact CG-CG 4.42Å; F68-M72 HydrophobicContact CZ-CE 4.06Å; F68-M72 HydrophobicContact CZ-CG 3.42Å; F68-M72 VanDerWaalsContact CZ-CG 3.42Å; F68-M72 HydrophobicContact CZ-SD 3.54Å; F68-M72 VanDerWaalsContact CZ-SD 3.54Å; F68-M72 WeakPolarHBondContact O-CG 3.44Å; F68-M72 PolarHBondContact O-N 3.03Å; F68-A176 HydrophobicContact CB-CB 3.85Å; F68-A176 HydrophobicContact CD1-CB 3.72Å; F68-A176 HydrophobicContact CG-CB 3.98Å
69M96.7Very high96.1Very high3 Ų329.7 Ų29.72%0.01516%0.16CC..Hα-helixtrans-58.2-42.9174.8-178.6-178.8158.800111.6G65 G66 Q71 M72 L73 F100 S165 A166 N170 S172 R173G65-M69 WeakPolarHBondContact O-CB 3.12Å; G65-M69 PolarHBondContact O-N 2.81Å; G66-M69 PolarHBondContact O-N 3.27Å; M69-Q71 VanDerWaalsContact C-N 3.32Å; M69-Q71 PolarHBondContact O-N 2.94Å; M69-M72 PolarHBondContact O-N 3.29Å; M69-L73 WeakPolarHBondContact O-CB 3.44Å; M69-L73 PolarHBondContact O-N 3.14Å; M69-F100 HydrophobicContact CB-CZ 4.42Å; M69-F100 HydrophobicContact CE-CZ 4.05Å; M69-F100 HydrophobicContact CG-CZ 3.99Å; M69-F100 HydrophobicContact SD-CZ 4.31Å; M69-S165 WeakPolarHBondContact CE-O 3.39Å; M69-A166 HydrophobicContact CE-CB 3.75Å; M69-A166 VanDerWaalsContact SD-CA 3.52Å; M69-A166 HydrophobicContact SD-CB 3.5Å; M69-A166 VanDerWaalsContact SD-CB 3.5Å; M69-N170 WeakPolarHBondContact CE-ND2 3.41Å; M69-N170 HydrophobicContact SD-CB 4.18Å; M69-S172 VanDerWaalsContact CB-OG 3.26Å; M69-S172 WeakPolarHBondContact CB-OG 3.49Å; M69-S172 WeakPolarHBondContact CG-OG 3.28Å; M69-R173 HydrophobicContact SD-CG 4.31Å
70A96.3Very high95.9Very high4 Ų436.4 Ų36.43%0.03319%0.189CC..Hα-helixtrans-60.8-41.5176.300000112.4G66 R67 F68 T74 A99 F100G66-A70 PolarHBondContact O-N 2.66Å; G66-A70 VanDerWaalsContact O-N 3.07Å; R67-A70 PolarHBondContact O-N 3.11Å; F68-A70 VanDerWaalsContact C-N 3.3Å; F68-A70 PolarHBondContact O-N 3.33Å; A70-T74 WeakPolarHBondContact O-CB 3.48Å; A70-T74 WeakPolarHBondContact O-CG2 3.46Å; A70-T74 PolarHBondContact O-N 3.29Å; A70-T74 VanDerWaalsContact O-N 3.08Å; A70-T74 PolarHBondContact O-OG1 3.44Å; A70-A99 HydrophobicContact CB-CB 4.09Å; A70-A99 VanDerWaalsContact CB-O 3.32Å; A70-A99 WeakPolarHBondContact CB-O 3.38Å; A70-F100 VanDerWaalsContact CA-CE1 3.42Å; A70-F100 VanDerWaalsContact CA-CZ 3.47Å; A70-F100 HydrophobicContact CB-CD1 3.92Å; A70-F100 HydrophobicContact CB-CD2 4.41Å; A70-F100 HydrophobicContact CB-CE1 3.59Å; A70-F100 HydrophobicContact CB-CE2 4.12Å; A70-F100 HydrophobicContact CB-CG 4.32Å; A70-F100 HydrophobicContact CB-CZ 3.69Å
71Q97.4Very high95.7Very high43 Ų4341.1 Ų41.120%0.20122%0.219CC..Hα-helixtrans-65-38.2175.7-68.7-63.8-51.500112.9R30 A33 A34 R67 F68 M69 T74 H75R30-Q71 HydrophobicContact CB-CB 4.06Å; R30-Q71 PolarHBondContact NE-O 3.15Å; R30-Q71 VanDerWaalsContact NE-O 3.13Å; R30-Q71 PolarHBondContact NH2-O 3.27Å; R30-Q71 VanDerWaalsContact NH2-OE1 3.16Å; R30-Q71 WeakPolarHBondContact O-CG 3.42Å; A33-Q71 HydrophobicContact CB-CG 4.3Å; A34-Q71 HydrophobicContact CB-CG 4.02Å; R67-Q71 WeakPolarHBondContact O-CG 3.38Å; R67-Q71 PolarHBondContact O-N 3.38Å; F68-Q71 WeakPolarHBondContact O-CB 3.5Å; F68-Q71 PolarHBondContact O-N 3.34Å; F68-Q71 VanDerWaalsContact O-N 3.15Å; M69-Q71 VanDerWaalsContact C-N 3.32Å; M69-Q71 PolarHBondContact O-N 2.94Å; Q71-T74 PolarHBondContact O-OG1 2.79Å; Q71-H75 VanDerWaalsContact O-CB 3.29Å; Q71-H75 WeakPolarHBondContact O-CB 3.46Å; Q71-H75 PolarHBondContact O-N 2.92Å
72M96.8Very high95.6Very high11 Ų1140.8 Ų40.85%0.05422%0.219CC..Hα-helixtrans-72.7-43177.1-67.1-61.795.800112I22 L27 R30 F68 M69 H75 I76I22-M72 HydrophobicContact CD1-SD 3.74Å; L27-M72 HydrophobicContact CD1-CE 3.88Å; L27-M72 HydrophobicContact CD1-SD 3.98Å; R30-M72 HydrophobicContact CB-CE 3.3Å; R30-M72 HydrophobicContact CG-CE 3.5Å; F68-M72 HydrophobicContact CD1-CG 4.05Å; F68-M72 HydrophobicContact CD2-CE 4.45Å; F68-M72 HydrophobicContact CD2-CG 4.31Å; F68-M72 HydrophobicContact CE1-CG 3.57Å; F68-M72 HydrophobicContact CE1-SD 4.25Å; F68-M72 HydrophobicContact CE2-CE 3.72Å; F68-M72 HydrophobicContact CE2-CG 3.82Å; F68-M72 HydrophobicContact CE2-SD 3.86Å; F68-M72 HydrophobicContact CG-CG 4.42Å; F68-M72 HydrophobicContact CZ-CE 4.06Å; F68-M72 HydrophobicContact CZ-CG 3.42Å; F68-M72 VanDerWaalsContact CZ-CG 3.42Å; F68-M72 HydrophobicContact CZ-SD 3.54Å; F68-M72 VanDerWaalsContact CZ-SD 3.54Å; F68-M72 WeakPolarHBondContact O-CG 3.44Å; F68-M72 PolarHBondContact O-N 3.03Å; M69-M72 PolarHBondContact O-N 3.29Å; M72-H75 PolarHBondContact O-N 3.18Å; M72-I76 HydrophobicContact CB-CD1 4.39Å; M72-I76 WeakPolarHBondContact O-CB 3.33Å; M72-I76 VanDerWaalsContact O-CG1 3.28Å; M72-I76 WeakPolarHBondContact O-CG1 3.39Å; M72-I76 PolarHBondContact O-N 2.98Å
73L94.1Very high95.6Very high25 Ų2540.6 Ų40.613%0.13122%0.22CC..Hα-helixtrans-64.5-45.7-178.9-172.464.4000111.3M69 H75 I76 A77 V82 I84 F100M69-L73 WeakPolarHBondContact O-CB 3.44Å; M69-L73 PolarHBondContact O-N 3.14Å; L73-H75 PolarHBondContact O-N 3.06Å; L73-I76 PolarHBondContact O-N 3.46Å; L73-A77 HydrophobicContact CD1-CB 4.15Å; L73-A77 WeakPolarHBondContact O-CA 3.18Å; L73-A77 VanDerWaalsContact O-CB 3.3Å; L73-A77 WeakPolarHBondContact O-CB 3.47Å; L73-A77 PolarHBondContact O-N 3.18Å; L73-V82 HydrophobicContact CD2-CG1 3.91Å; L73-V82 HydrophobicContact CD2-CG2 4.23Å; L73-I84 HydrophobicContact CD2-CD1 3.92Å; L73-F100 HydrophobicContact CB-CE1 4.36Å; L73-F100 HydrophobicContact CD2-CE1 3.7Å; L73-F100 HydrophobicContact CD2-CZ 4.29Å
74T93.5Very high95.5Very high36 Ų3640.6 Ų40.622%0.22122%0.219CC..Hα-helixtrans-65.3-27.8175.450.40000112.7R30 A70 Q71 G78 L103R30-T74 PolarHBondContact NH2-OG1 3.14Å; A70-T74 WeakPolarHBondContact O-CB 3.48Å; A70-T74 WeakPolarHBondContact O-CG2 3.46Å; A70-T74 PolarHBondContact O-N 3.29Å; A70-T74 VanDerWaalsContact O-N 3.08Å; A70-T74 PolarHBondContact O-OG1 3.44Å; Q71-T74 PolarHBondContact O-OG1 2.79Å; T74-G78 VanDerWaalsContact O-CA 3.25Å; T74-G78 WeakPolarHBondContact O-CA 3.41Å; T74-G78 PolarHBondContact O-N 2.87Å; T74-L103 HydrophobicContact CG2-CD1 3.82Å
75H95Very high95.5Very high74 Ų7440.6 Ų40.634%0.34322%0.219SC..Hα-helixtrans-77.1-46.5175.1-179.867.7000112.5Q71 M72 L73Q71-H75 VanDerWaalsContact O-CB 3.29Å; Q71-H75 WeakPolarHBondContact O-CB 3.46Å; Q71-H75 PolarHBondContact O-N 2.92Å; M72-H75 PolarHBondContact O-N 3.18Å; L73-H75 PolarHBondContact O-N 3.06Å
76I94.9Very high95.5Very high122 Ų12240.6 Ų40.663%0.62622%0.219SC*.Hα-helixtrans-79.9-44.4-173.6-63.5166.9000111.5I22 M72 L73I22-I76 HydrophobicContact CD1-CD1 4.4Å; I22-I76 HydrophobicContact CD1-CG1 4.42Å; M72-I76 HydrophobicContact CB-CD1 4.39Å; M72-I76 WeakPolarHBondContact O-CB 3.33Å; M72-I76 VanDerWaalsContact O-CG1 3.28Å; M72-I76 WeakPolarHBondContact O-CG1 3.39Å; M72-I76 PolarHBondContact O-N 2.98Å; L73-I76 PolarHBondContact O-N 3.46Å
77A91.3Very high95.4Very high36 Ų3640.6 Ų40.630%0.29822%0.219SC..SBendtrans-95.8-10.2-176.200000113.3L73 D79 K80L73-A77 HydrophobicContact CD1-CB 4.15Å; L73-A77 WeakPolarHBondContact O-CA 3.18Å; L73-A77 VanDerWaalsContact O-CB 3.3Å; L73-A77 WeakPolarHBondContact O-CB 3.47Å; L73-A77 PolarHBondContact O-N 3.18Å; A77-D79 PolarHBondContact O-N 3.28Å; A77-K80 HydrophobicContact CB-CB 4.32Å; A77-K80 VanDerWaalsContact O-CB 3.23Å; A77-K80 WeakPolarHBondContact O-CB 3.35Å; A77-K80 PolarHBondContact O-N 2.87Å; A77-K80 VanDerWaalsContact O-N 3.12Å
78G92.3Very high95.3Very high27 Ų2737.6 Ų37.628%0.27821%0.208SC..THydrogen-bonded Turntrans56.8-131.3-174.300000111.5T74 K80 N105T74-G78 VanDerWaalsContact O-CA 3.25Å; T74-G78 WeakPolarHBondContact O-CA 3.41Å; T74-G78 PolarHBondContact O-N 2.87Å; G78-K80 VanDerWaalsContact C-N 3.32Å; G78-K80 PolarHBondContact O-N 3.47Å; G78-N105 PolarHBondContact O-ND2 2.98Å
79D92.6Very high95Very high135 Ų13537.8 Ų37.872%0.72221%0.21SC*.THydrogen-bonded Turntrans-90.516.6178.1-61-57.7000113.7A77 P81 N105A77-D79 PolarHBondContact O-N 3.28Å; D79-P81 WeakPolarHBondContact O-CD 3.3Å; D79-N105 WeakPolarHBondContact CA-ND2 3.44Å; D79-N105 HydrophobicContact CB-CB 4.5Å; D79-N105 WeakPolarHBondContact O-CB 3.44Å
80K93.6Very high94.8Very high145 Ų14537.6 Ų37.663%0.6321%0.209SC*.  trans-59.7129.8175.9-177.8173.9177.2170.50109.8A77 G78 V82 N105A77-K80 HydrophobicContact CB-CB 4.32Å; A77-K80 VanDerWaalsContact O-CB 3.23Å; A77-K80 WeakPolarHBondContact O-CB 3.35Å; A77-K80 PolarHBondContact O-N 2.87Å; A77-K80 VanDerWaalsContact O-N 3.12Å; G78-K80 VanDerWaalsContact C-N 3.32Å; G78-K80 PolarHBondContact O-N 3.47Å; K80-V82 PolarHBondContact O-N 2.9Å; K80-N105 PolarHBondContact O-ND2 3.03Å
81P95Very high94.7Very high99 Ų9937.5 Ų37.564%0.64321%0.208SC*.  trans-56.7132174.8-27.235.8000111.9D79 N105D79-P81 WeakPolarHBondContact O-CD 3.3Å; P81-N105 CarbonylContact C-O 3.51Å; P81-N105 VanDerWaalsContact CA-O 3.31Å; P81-N105 WeakPolarHBondContact CA-O 3.37Å
82V95.9Very high94.5Very high15 Ų1536 Ų369%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-144.4134.3-178.559.50000110.8L73 K80 I84 N105 V106 K107 G162 N164L73-V82 HydrophobicContact CD2-CG1 3.91Å; L73-V82 HydrophobicContact CD2-CG2 4.23Å; K80-V82 PolarHBondContact O-N 2.9Å; V82-I84 HydrophobicContact CG2-CG1 4.26Å; V82-N105 PolarHBondContact N-O 2.64Å; V82-V106 HydrophobicContact CG1-CB 4.21Å; V82-V106 HydrophobicContact CG1-CG1 4.17Å; V82-V106 HydrophobicContact CG1-CG2 3.69Å; V82-V106 WeakPolarHBondContact O-CA 3.49Å; V82-K107 PolarHBondContact O-N 2.97Å; V82-G162 WeakPolarHBondContact CA-O 3.34Å; V82-G162 WeakPolarHBondContact CG2-O 3.45Å; V82-N164 HydrophobicContact CG2-CB 3.72Å
83T97Very high94.4Very high12 Ų1235.5 Ų35.57%0.07420%0.199CC..EExtended strand (participates in β ladder)trans-105.7114.7172.6-60.80000109.6K107 V109 L161 G162 L163 N164 M379T83-K107 CarbonylContact C-O 3.15Å; T83-K107 WeakPolarHBondContact CA-O 3.48Å; T83-V109 HydrophobicContact CG2-CG2 4.22Å; T83-L161 WeakPolarHBondContact CB-O 3.41Å; T83-L161 HydrophobicContact CG2-CB 4.43Å; T83-L161 PolarHBondContact N-O 3.45Å; T83-L161 VanDerWaalsContact N-O 3.1Å; T83-L161 PolarHBondContact OG1-O 3.38Å; T83-G162 PolarHBondContact N-O 2.82Å; T83-L163 HydrophobicContact CG2-CD1 4.21Å; T83-L163 CarbonylContact O-C 3.48Å; T83-L163 WeakPolarHBondContact O-CA 3.42Å; T83-N164 PolarHBondContact O-N 2.88Å; T83-M379 HydrophobicContact CG2-CE 3.97Å
84I96.5Very high94.6Very high0 Ų034.4 Ų34.40%019%0.193CC..EExtended strand (participates in β ladder)trans-93.2103.1-179.4-59.5-179.6000109.3L73 V82 V96 F100 V106 K107 V108 V109 N164 A166L73-I84 HydrophobicContact CD2-CD1 3.92Å; V82-I84 HydrophobicContact CG2-CG1 4.26Å; I84-V96 HydrophobicContact CG2-CG1 4.08Å; I84-F100 HydrophobicContact CD1-CB 4.46Å; I84-F100 HydrophobicContact CD1-CD1 3.34Å; I84-F100 HydrophobicContact CD1-CD2 3.68Å; I84-F100 HydrophobicContact CD1-CE1 3.25Å; I84-F100 HydrophobicContact CD1-CE2 3.62Å; I84-F100 HydrophobicContact CD1-CG 3.56Å; I84-F100 HydrophobicContact CD1-CZ 3.4Å; I84-F100 VanDerWaalsContact CD1-CZ 3.4Å; I84-V106 HydrophobicContact CD1-CG1 3.57Å; I84-V106 HydrophobicContact CG1-CG1 3.96Å; I84-K107 PolarHBondContact N-O 3.02Å; I84-V108 HydrophobicContact CB-CG1 4.45Å; I84-V108 HydrophobicContact CB-CG2 4.46Å; I84-V108 WeakPolarHBondContact O-CA 3.3Å; I84-V109 PolarHBondContact O-N 3.49Å; I84-N164 CarbonylContact C-O 3.57Å; I84-N164 WeakPolarHBondContact CA-O 3.29Å; I84-A166 HydrophobicContact CG2-CB 3.59Å
85L97.3Very high94.8Very high0 Ų032.7 Ų32.70%018%0.183CC..EExtended strand (participates in β ladder)trans-94.2118.4175-177.965000110.4V109 L111 V148 A151 L163 N164 S165 M379L85-V109 WeakPolarHBondContact CA-O 3.39Å; L85-V109 HydrophobicContact CD1-CB 3.83Å; L85-V109 HydrophobicContact CD1-CG1 3.74Å; L85-L111 HydrophobicContact CD1-CD1 4.2Å; L85-L111 HydrophobicContact CD1-CD2 4.16Å; L85-L111 HydrophobicContact CD1-CG 4Å; L85-V148 HydrophobicContact CD1-CG2 4.48Å; L85-V148 HydrophobicContact CD2-CB 4.38Å; L85-V148 HydrophobicContact CD2-CG1 4.28Å; L85-V148 HydrophobicContact CD2-CG2 4.24Å; L85-V148 HydrophobicContact CG-CB 4.44Å; L85-V148 HydrophobicContact CG-CG1 4.18Å; L85-V148 HydrophobicContact CG-CG2 3.91Å; L85-A151 HydrophobicContact CD2-CB 3.46Å; L85-A151 VanDerWaalsContact CD2-CB 3.46Å; L85-L163 HydrophobicContact CB-CD1 3.81Å; L85-L163 HydrophobicContact CD2-CD1 4.37Å; L85-N164 PolarHBondContact N-O 3.08Å; L85-S165 WeakPolarHBondContact O-CA 3.4Å; L85-S165 WeakPolarHBondContact O-CB 3.29Å; L85-S165 PolarHBondContact O-OG 2.79Å; L85-M379 HydrophobicContact CB-CE 4.31Å; L85-M379 HydrophobicContact CD1-CE 4.09Å; L85-M379 HydrophobicContact CD1-SD 3.98Å; L85-M379 HydrophobicContact CD2-CE 4.17Å; L85-M379 HydrophobicContact CD2-SD 4.09Å; L85-M379 HydrophobicContact CG-CE 4.41Å
86T96.3Very high94.9Very high0 Ų029.1 Ų29.10%017%0.167CC..EExtended strand (participates in β ladder)trans-132.7130.8-172.5-58.20000112.1T92 V96 V109 I110 L111 A166 N167T86-T92 HydrophobicContact CG2-CG2 3.79Å; T86-V96 HydrophobicContact CG2-CG2 4.22Å; T86-V109 PolarHBondContact N-O 2.95Å; T86-I110 CarbonylContact O-C 3.58Å; T86-I110 VanDerWaalsContact O-CA 3.32Å; T86-I110 WeakPolarHBondContact O-CA 3.48Å; T86-L111 PolarHBondContact O-N 3.34Å; T86-A166 PolarHBondContact OG1-N 2.8Å; T86-N167 VanDerWaalsContact CA-OD1 3.26Å; T86-N167 WeakPolarHBondContact CA-OD1 3.36Å; T86-N167 WeakPolarHBondContact CG2-OD1 3.39Å
87A95.2Very high95.1Very high0 Ų023.3 Ų23.30%014%0.137CC..EExtended strand (participates in β ladder)trans-9214116900000110.7L111 F141 C144 Q145 V148 N167A87-L111 CarbonylContact C-O 3.59Å; A87-L111 WeakPolarHBondContact CA-O 3.34Å; A87-F141 HydrophobicContact CB-CE2 4.14Å; A87-C144 HydrophobicContact CB-CB 4Å; A87-Q145 HydrophobicContact CB-CB 4.23Å; A87-V148 HydrophobicContact CB-CG2 3.76Å; A87-N167 PolarHBondContact N-OD1 2.96Å; A87-N167 PolarHBondContact O-ND2 3.41Å
88T95.4Very high95.4Very high0 Ų023.6 Ų23.60%013%0.132CC..  trans-139.8148.6178.2-168.30000113G90 T92 G93 I110 L111 P113 F125T88-G90 PolarHBondContact OG1-N 3.5Å; T88-G90 VanDerWaalsContact OG1-N 3.12Å; T88-G90 PolarHBondContact OG1-O 3.37Å; T88-T92 WeakPolarHBondContact OG1-CA 3.42Å; T88-T92 WeakPolarHBondContact OG1-CB 3.4Å; T88-T92 PolarHBondContact OG1-N 2.87Å; T88-G93 VanDerWaalsContact CB-N 3.28Å; T88-G93 PolarHBondContact OG1-N 2.83Å; T88-I110 HydrophobicContact CG2-CG2 3.56Å; T88-L111 PolarHBondContact N-O 3.34Å; T88-P113 WeakPolarHBondContact O-CD 3.41Å; T88-F125 HydrophobicContact CG2-CE1 4.5Å; T88-F125 HydrophobicContact CG2-CE2 4.4Å; T88-F125 HydrophobicContact CG2-CZ 3.96Å
89S91.2Very high95.6Very high6 Ų623.1 Ų23.14%0.04213%0.125CC..SBendtrans-102.926.4167.750.80000111.4I117 N254 A255S89-I117 VanDerWaalsContact C-CG2 3.43Å; S89-N254 PolarHBondContact O-ND2 2.89Å; S89-A255 WeakPolarHBondContact OG-CA 3.25Å; S89-A255 PolarHBondContact OG-O 3.32Å; S89-A255 VanDerWaalsContact OG-O 3.09Å
90G92.5Very high95.8Very high0 Ų016.7 Ų16.70%09%0.091CC..SBendtrans128.1-99.9-172.600000110.7T88 T92 G93T88-G90 PolarHBondContact OG1-N 3.5Å; T88-G90 VanDerWaalsContact OG1-N 3.12Å; T88-G90 PolarHBondContact OG1-O 3.37Å; G90-T92 VanDerWaalsContact C-N 3.35Å; G90-T92 PolarHBondContact O-N 3.47Å; G90-T92 VanDerWaalsContact O-N 3.16Å; G90-G93 PolarHBondContact O-N 3.25Å
91D94.1Very high96Very high1 Ų115.1 Ų15.11%0.0058%0.082CC..Hα-helixtrans-67.6-23.9-162.3-35.1-67.6000116.3A60 K62 G93 A94 A95 Q121 K336A60-D91 HydrophobicContact CB-CB 3.56Å; K62-D91 HydrophobicContact CD-CB 3.91Å; K62-D91 IonicContact NZ-OD2 3.81Å; K62-D91 PolarHBondContact NZ-OD2 2.86Å; D91-G93 PolarHBondContact O-N 2.85Å; D91-A94 PolarHBondContact O-N 3.4Å; D91-A95 PolarHBondContact O-N 3.45Å; D91-Q121 PolarHBondContact OD1-NE2 3.28Å; D91-K336 WeakPolarHBondContact OD1-CE 3.16Å; D91-K336 IonicContact OD1-NZ 3.78Å; D91-K336 PolarHBondContact OD1-NZ 2.99Å
92T93.9Very high96Very high13 Ų1312.9 Ų12.98%0.088%0.077CC..Hα-helixtrans-62.8-39.5-177-52.40000110.1K62 T86 T88 G90 A95 V96K62-T92 HydrophobicContact CD-CG2 4.39Å; K62-T92 VanDerWaalsContact CD-N 3.26Å; K62-T92 WeakPolarHBondContact CD-OG1 3.45Å; K62-T92 WeakPolarHBondContact CE-OG1 3.39Å; T86-T92 HydrophobicContact CG2-CG2 3.79Å; T88-T92 WeakPolarHBondContact OG1-CA 3.42Å; T88-T92 WeakPolarHBondContact OG1-CB 3.4Å; T88-T92 PolarHBondContact OG1-N 2.87Å; G90-T92 VanDerWaalsContact C-N 3.35Å; G90-T92 PolarHBondContact O-N 3.47Å; G90-T92 VanDerWaalsContact O-N 3.16Å; T92-A95 PolarHBondContact O-N 3.42Å; T92-V96 HydrophobicContact CG2-CG2 4.11Å; T92-V96 WeakPolarHBondContact O-CB 3.32Å; T92-V96 VanDerWaalsContact O-CG2 3.25Å; T92-V96 WeakPolarHBondContact O-CG2 3.32Å; T92-V96 PolarHBondContact O-N 3.47Å
93G95.8Very high95.9Very high0 Ų014.4 Ų14.40%08%0.084CC..Hα-helixtrans-57.7-50.1176.500000110.9T88 G90 D91 V96 A97 I110T88-G93 VanDerWaalsContact CB-N 3.28Å; T88-G93 PolarHBondContact OG1-N 2.83Å; G90-G93 PolarHBondContact O-N 3.25Å; D91-G93 PolarHBondContact O-N 2.85Å; G93-V96 PolarHBondContact O-N 3.13Å; G93-A97 WeakPolarHBondContact O-CB 3.32Å; G93-A97 PolarHBondContact O-N 2.7Å; G93-I110 VanDerWaalsContact O-CD1 3.25Å; G93-I110 WeakPolarHBondContact O-CD1 3.46Å
94A97.6Very high95.7Very high1 Ų120.1 Ų20.11%0.00812%0.121CC..Hα-helixtrans-59.5-51.9178.200000113.5T58 D91 V96 A97 H98 L124 F125T58-A94 HydrophobicContact CG2-CB 4.16Å; D91-A94 PolarHBondContact O-N 3.4Å; A94-V96 VanDerWaalsContact C-N 3.31Å; A94-V96 PolarHBondContact O-N 3.05Å; A94-A97 PolarHBondContact O-N 2.84Å; A94-H98 PolarHBondContact O-N 2.85Å; A94-H98 PolarHBondContact O-ND1 3.5Å; A94-H98 VanDerWaalsContact O-ND1 3.08Å; A94-L124 HydrophobicContact CB-CB 4.23Å; A94-L124 HydrophobicContact CB-CD2 3.67Å; A94-L124 HydrophobicContact CB-CG 3.79Å; A94-F125 HydrophobicContact CB-CB 4.21Å; A94-F125 HydrophobicContact CB-CD1 4.24Å
95A97.5Very high95.6Very high0 Ų021.2 Ų21.20%013%0.127CC..Hα-helixtrans-60.9-41.6-178.600000111.9K62 D91 T92 A99K62-A95 VanDerWaalsContact C-CB 3.41Å; K62-A95 HydrophobicContact CB-CB 3.63Å; K62-A95 WeakPolarHBondContact O-CB 3.17Å; D91-A95 PolarHBondContact O-N 3.45Å; T92-A95 PolarHBondContact O-N 3.42Å; A95-A99 WeakPolarHBondContact O-CB 3.5Å; A95-A99 PolarHBondContact O-N 2.88Å
96V97.2Very high95.5Very high0 Ų021.3 Ų21.30%013%0.127CC..Hα-helixtrans-71.2-46.6178.3173.30000110.9I84 T86 T92 G93 A94 H98 A99 F100 V108 A166I84-V96 HydrophobicContact CG2-CG1 4.08Å; T86-V96 HydrophobicContact CG2-CG2 4.22Å; T92-V96 HydrophobicContact CG2-CG2 4.11Å; T92-V96 WeakPolarHBondContact O-CB 3.32Å; T92-V96 VanDerWaalsContact O-CG2 3.25Å; T92-V96 WeakPolarHBondContact O-CG2 3.32Å; T92-V96 PolarHBondContact O-N 3.47Å; G93-V96 PolarHBondContact O-N 3.13Å; A94-V96 VanDerWaalsContact C-N 3.31Å; A94-V96 PolarHBondContact O-N 3.05Å; V96-H98 VanDerWaalsContact C-N 3.34Å; V96-H98 PolarHBondContact O-N 3.28Å; V96-A99 PolarHBondContact O-N 3.14Å; V96-F100 HydrophobicContact CG1-CD2 3.86Å; V96-F100 HydrophobicContact CG1-CE2 4.2Å; V96-F100 WeakPolarHBondContact O-CD2 3.46Å; V96-F100 PolarHBondContact O-N 3.29Å; V96-F100 VanDerWaalsContact O-N 3.09Å; V96-V108 HydrophobicContact CG1-CG1 3.89Å; V96-A166 HydrophobicContact CB-CB 4.26Å; V96-A166 HydrophobicContact CG1-CB 3.66Å; V96-A166 HydrophobicContact CG2-CB 3.49Å; V96-A166 VanDerWaalsContact CG2-CB 3.49Å
97A98.1Very high95.6Very high0 Ų023.9 Ų23.90%014%0.139CC..Hα-helixtrans-56.2-49.7179.700000111.1G93 A94 F100 Y101 I110 F125 L128 I132G93-A97 WeakPolarHBondContact O-CB 3.32Å; G93-A97 PolarHBondContact O-N 2.7Å; A94-A97 PolarHBondContact O-N 2.84Å; A97-F100 PolarHBondContact O-N 3.17Å; A97-Y101 WeakPolarHBondContact O-CA 3.41Å; A97-Y101 VanDerWaalsContact O-CB 3.29Å; A97-Y101 WeakPolarHBondContact O-CB 3.36Å; A97-Y101 PolarHBondContact O-N 3.2Å; A97-I110 HydrophobicContact CB-CD1 3.68Å; A97-F125 HydrophobicContact CB-CB 3.91Å; A97-L128 HydrophobicContact CB-CD1 3.43Å; A97-L128 VanDerWaalsContact CB-CD1 3.43Å; A97-I132 HydrophobicContact CB-CD1 4.28Å; A97-I132 HydrophobicContact CB-CG1 4.44Å; A97-I132 HydrophobicContact CB-CG2 3.95Å; A97-I132 WeakPolarHBondContact O-CD1 3.5Å
98H97.9Very high95.7Very high41 Ų4123.9 Ų23.919%0.1914%0.139CC..Hα-helixtrans-69.8-34.2178.4-75.392.3000113.5T58 A94 V96 F100 L124 R358T58-H98 HydrophobicContact CG2-CB 3.85Å; T58-H98 WeakPolarHBondContact CG2-ND1 3.39Å; A94-H98 PolarHBondContact O-N 2.85Å; A94-H98 PolarHBondContact O-ND1 3.5Å; A94-H98 VanDerWaalsContact O-ND1 3.08Å; V96-H98 VanDerWaalsContact C-N 3.34Å; V96-H98 PolarHBondContact O-N 3.28Å; H98-F100 VanDerWaalsContact C-N 3.29Å; H98-F100 PolarHBondContact O-N 3.08Å; H98-L124 PolarHBondContact CE1-O 3.32Å; H98-R358 PolarHBondContact NE2-NE 2.87Å
99A97.5Very high95.9Very high17 Ų1724.4 Ų24.414%0.1414%0.142CC..Hα-helixtrans-66.2-31.617900000113.1G66 R67 A70 A95 V96G66-A99 VanDerWaalsContact C-CB 3.49Å; G66-A99 WeakPolarHBondContact O-CB 3.14Å; R67-A99 HydrophobicContact CG-CB 4.03Å; A70-A99 HydrophobicContact CB-CB 4.09Å; A70-A99 VanDerWaalsContact CB-O 3.32Å; A70-A99 WeakPolarHBondContact CB-O 3.38Å; A95-A99 WeakPolarHBondContact O-CB 3.5Å; A95-A99 PolarHBondContact O-N 2.88Å; V96-A99 PolarHBondContact O-N 3.14Å
100F96.9Very high96.2Very high0 Ų024.1 Ų24.10%014%0.14CC..Hα-helixtrans-109.41.4-177.7-67.7-81.3000113.7M69 A70 L73 I84 V96 A97 H98 G102 L103 V106 V108 N131 A166M69-F100 HydrophobicContact CB-CZ 4.42Å; M69-F100 HydrophobicContact CE-CZ 4.05Å; M69-F100 HydrophobicContact CG-CZ 3.99Å; M69-F100 HydrophobicContact SD-CZ 4.31Å; A70-F100 VanDerWaalsContact CA-CE1 3.42Å; A70-F100 VanDerWaalsContact CA-CZ 3.47Å; A70-F100 HydrophobicContact CB-CD1 3.92Å; A70-F100 HydrophobicContact CB-CD2 4.41Å; A70-F100 HydrophobicContact CB-CE1 3.59Å; A70-F100 HydrophobicContact CB-CE2 4.12Å; A70-F100 HydrophobicContact CB-CG 4.32Å; A70-F100 HydrophobicContact CB-CZ 3.69Å; L73-F100 HydrophobicContact CB-CE1 4.36Å; L73-F100 HydrophobicContact CD2-CE1 3.7Å; L73-F100 HydrophobicContact CD2-CZ 4.29Å; I84-F100 HydrophobicContact CD1-CB 4.46Å; I84-F100 HydrophobicContact CD1-CD1 3.34Å; I84-F100 HydrophobicContact CD1-CD2 3.68Å; I84-F100 HydrophobicContact CD1-CE1 3.25Å; I84-F100 HydrophobicContact CD1-CE2 3.62Å; I84-F100 HydrophobicContact CD1-CG 3.56Å; I84-F100 HydrophobicContact CD1-CZ 3.4Å; I84-F100 VanDerWaalsContact CD1-CZ 3.4Å; V96-F100 HydrophobicContact CG1-CD2 3.86Å; V96-F100 HydrophobicContact CG1-CE2 4.2Å; V96-F100 WeakPolarHBondContact O-CD2 3.46Å; V96-F100 PolarHBondContact O-N 3.29Å; V96-F100 VanDerWaalsContact O-N 3.09Å; A97-F100 PolarHBondContact O-N 3.17Å; H98-F100 VanDerWaalsContact C-N 3.29Å; H98-F100 PolarHBondContact O-N 3.08Å; F100-G102 PolarHBondContact O-N 3.44Å; F100-L103 HydrophobicContact CD1-CD1 3.87Å; F100-L103 PolarHBondContact O-N 3.11Å; F100-V106 HydrophobicContact CB-CG1 3.97Å; F100-V106 HydrophobicContact CD1-CG1 3.83Å; F100-V106 HydrophobicContact CD1-CG2 4.25Å; F100-V106 HydrophobicContact CG-CG1 4.16Å; F100-V108 HydrophobicContact CB-CG2 3.63Å; F100-V108 HydrophobicContact CG-CG2 4.42Å; F100-N131 PolarHBondContact O-ND2 3.21Å; F100-A166 HydrophobicContact CE2-CB 4.37Å
101Y97.3Very high96.5Very high113 Ų11324.1 Ų24.144%0.44314%0.14SC..THydrogen-bonded Turntrans-59.3131.9-179.5-171.8-108.3000111.5A97 L103 L128 G129 I132A97-Y101 WeakPolarHBondContact O-CA 3.41Å; A97-Y101 VanDerWaalsContact O-CB 3.29Å; A97-Y101 WeakPolarHBondContact O-CB 3.36Å; A97-Y101 PolarHBondContact O-N 3.2Å; Y101-L103 PolarHBondContact O-N 3.36Å; Y101-L128 HydrophobicContact CD2-CB 4.22Å; Y101-L128 HydrophobicContact CD2-CD2 3.99Å; Y101-L128 HydrophobicContact CE2-CB 3.93Å; Y101-L128 HydrophobicContact CE2-CD2 3.98Å; Y101-L128 HydrophobicContact CG-CD2 4.39Å; Y101-L128 PolarHBondContact OH-O 2.79Å; Y101-G129 WeakPolarHBondContact CE2-O 3.32Å; Y101-I132 HydrophobicContact CD2-CD1 4.21Å; Y101-I132 HydrophobicContact CD2-CG1 3.58Å; Y101-I132 HydrophobicContact CE2-CG1 4.17Å
102G95Very high96.7Very high52 Ų5224.1 Ų24.154%0.53614%0.14SC..THydrogen-bonded Turntrans74.92.1175.700000115.7F100 P104 N131F100-G102 PolarHBondContact O-N 3.44Å; G102-P104 WeakPolarHBondContact O-CD 3.31Å; G102-N131 PolarHBondContact N-OD1 2.9Å
103L94.4Very high96.8Very high47 Ų4723.7 Ų23.725%0.24614%0.137CC..  trans-72.8117.1173.5-66.5-176.3000110.3T74 F100 Y101 N105 V106T74-L103 HydrophobicContact CG2-CD1 3.82Å; F100-L103 HydrophobicContact CD1-CD1 3.87Å; F100-L103 PolarHBondContact O-N 3.11Å; Y101-L103 PolarHBondContact O-N 3.36Å; L103-N105 VanDerWaalsContact C-N 3.27Å; L103-N105 PolarHBondContact O-N 2.64Å; L103-V106 HydrophobicContact CB-CB 3.9Å; L103-V106 HydrophobicContact CB-CG2 3.7Å; L103-V106 HydrophobicContact CD1-CG2 3.92Å; L103-V106 HydrophobicContact CG-CG2 4.5Å; L103-V106 PolarHBondContact O-N 3.18Å
104P92.3Very high96.9Very high131 Ų13128 Ų2885%0.85115%0.153SC*.THydrogen-bonded Turntrans-62.4-29.7-169.4-25.334.9000114.9G102G102-P104 WeakPolarHBondContact O-CD 3.31Å
105N94Very high96.8Very high23 Ų2331 Ų3112%0.12319%0.185CC..THydrogen-bonded Turntrans-92.72.3-179.967.4-52.4000113.7G78 D79 K80 P81 V82 L103G78-N105 PolarHBondContact O-ND2 2.98Å; D79-N105 WeakPolarHBondContact CA-ND2 3.44Å; D79-N105 HydrophobicContact CB-CB 4.5Å; D79-N105 WeakPolarHBondContact O-CB 3.44Å; K80-N105 PolarHBondContact O-ND2 3.03Å; P81-N105 CarbonylContact C-O 3.51Å; P81-N105 VanDerWaalsContact CA-O 3.31Å; P81-N105 WeakPolarHBondContact CA-O 3.37Å; V82-N105 PolarHBondContact N-O 2.64Å; L103-N105 VanDerWaalsContact C-N 3.27Å; L103-N105 PolarHBondContact O-N 2.64Å
106V96.3Very high96.7Very high2 Ų235.4 Ų35.41%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-118.4127.9-175.3-174.30000110.5V82 I84 F100 L103 V108 N131V82-V106 HydrophobicContact CG1-CB 4.21Å; V82-V106 HydrophobicContact CG1-CG1 4.17Å; V82-V106 HydrophobicContact CG1-CG2 3.69Å; V82-V106 WeakPolarHBondContact O-CA 3.49Å; I84-V106 HydrophobicContact CD1-CG1 3.57Å; I84-V106 HydrophobicContact CG1-CG1 3.96Å; F100-V106 HydrophobicContact CB-CG1 3.97Å; F100-V106 HydrophobicContact CD1-CG1 3.83Å; F100-V106 HydrophobicContact CD1-CG2 4.25Å; F100-V106 HydrophobicContact CG-CG1 4.16Å; L103-V106 HydrophobicContact CB-CB 3.9Å; L103-V106 HydrophobicContact CB-CG2 3.7Å; L103-V106 HydrophobicContact CD1-CG2 3.92Å; L103-V106 HydrophobicContact CG-CG2 4.5Å; L103-V106 PolarHBondContact O-N 3.18Å; V106-V108 HydrophobicContact CG1-CG2 4.09Å; V106-N131 WeakPolarHBondContact O-CB 3.44Å; V106-N131 PolarHBondContact O-ND2 2.72Å
107K97.1Very high96.6Very high55 Ų5536.1 Ų36.124%0.23921%0.208CC..EExtended strand (participates in β ladder)trans-110.9140.7162.6-64.5-16569.7135.30109.9V82 T83 I84 H382 Q383V82-K107 PolarHBondContact O-N 2.97Å; T83-K107 CarbonylContact C-O 3.15Å; T83-K107 WeakPolarHBondContact CA-O 3.48Å; I84-K107 PolarHBondContact N-O 3.02Å; K107-H382 WeakPolarHBondContact CE-O 3.36Å; K107-H382 PolarHBondContact NZ-O 3.22Å; K107-H382 VanDerWaalsContact NZ-O 3.09Å; K107-Q383 VanDerWaalsContact CD-C 3.47Å; K107-Q383 WeakPolarHBondContact CD-OXT 3.07Å; K107-Q383 VanDerWaalsContact NZ-C 3.26Å; K107-Q383 PolarHBondContact NZ-O 3.34Å
108V97.9Very high96.3Very high0 Ų036.9 Ų36.90%021%0.213CC..EExtended strand (participates in β ladder)trans-118129.8-179.9-170.20000108.8I84 V96 F100 V106 I110 N131 I132 E133I84-V108 HydrophobicContact CB-CG1 4.45Å; I84-V108 HydrophobicContact CB-CG2 4.46Å; I84-V108 WeakPolarHBondContact O-CA 3.3Å; V96-V108 HydrophobicContact CG1-CG1 3.89Å; F100-V108 HydrophobicContact CB-CG2 3.63Å; F100-V108 HydrophobicContact CG-CG2 4.42Å; V106-V108 HydrophobicContact CG1-CG2 4.09Å; V108-I110 HydrophobicContact CG1-CD1 4.09Å; V108-I110 HydrophobicContact CG1-CG1 3.82Å; V108-N131 PolarHBondContact N-O 2.95Å; V108-I132 HydrophobicContact CB-CD1 3.74Å; V108-I132 HydrophobicContact CG2-CD1 3.67Å; V108-E133 PolarHBondContact O-N 3.27Å
109V98.3Very high96.2Very high11 Ų1138 Ų387%0.06722%0.224CC..EExtended strand (participates in β ladder)trans-118.5117.3172.3-1770000108.1T83 I84 L85 T86 L111 E133 V135 M379T83-V109 HydrophobicContact CG2-CG2 4.22Å; I84-V109 PolarHBondContact O-N 3.49Å; L85-V109 WeakPolarHBondContact CA-O 3.39Å; L85-V109 HydrophobicContact CD1-CB 3.83Å; L85-V109 HydrophobicContact CD1-CG1 3.74Å; T86-V109 PolarHBondContact N-O 2.95Å; V109-L111 HydrophobicContact CG1-CD2 4.14Å; V109-E133 WeakPolarHBondContact CA-O 3.48Å; V109-E133 HydrophobicContact CG2-CB 4.23Å; V109-V135 HydrophobicContact CG1-CG2 4.27Å; V109-M379 HydrophobicContact CG1-CG 4.38Å; V109-M379 HydrophobicContact CG2-CE 4.31Å
110I98.4Very high96.1Very high0 Ų038.3 Ų38.30%022%0.223CC..EExtended strand (participates in β ladder)trans-110.4121.5-177.9-60.9166.5000110.2T86 T88 G93 A97 V108 F125 I132 E133 T134 V135T86-I110 CarbonylContact O-C 3.58Å; T86-I110 VanDerWaalsContact O-CA 3.32Å; T86-I110 WeakPolarHBondContact O-CA 3.48Å; T88-I110 HydrophobicContact CG2-CG2 3.56Å; G93-I110 VanDerWaalsContact O-CD1 3.25Å; G93-I110 WeakPolarHBondContact O-CD1 3.46Å; A97-I110 HydrophobicContact CB-CD1 3.68Å; V108-I110 HydrophobicContact CG1-CD1 4.09Å; V108-I110 HydrophobicContact CG1-CG1 3.82Å; I110-F125 HydrophobicContact CB-CD2 4.37Å; I110-F125 HydrophobicContact CB-CE2 4.23Å; I110-F125 HydrophobicContact CD1-CD2 3.85Å; I110-F125 HydrophobicContact CD1-CE2 4.5Å; I110-F125 HydrophobicContact CG2-CD2 4.03Å; I110-F125 HydrophobicContact CG2-CE2 3.58Å; I110-F125 HydrophobicContact CG2-CZ 4.35Å; I110-I132 HydrophobicContact CD1-CG2 4.34Å; I110-E133 PolarHBondContact N-O 3.38Å; I110-T134 HydrophobicContact CB-CG2 4.39Å; I110-V135 PolarHBondContact O-N 3.01Å
111L98.5Very high96Very high0 Ų038.4 Ų38.40%022%0.223CC..EExtended strand (participates in β ladder)trans-98133.3173.1-46.2-172.3000109.5L85 T86 A87 T88 V109 V135 I137 C144 L147 V148 L375L85-L111 HydrophobicContact CD1-CD1 4.2Å; L85-L111 HydrophobicContact CD1-CD2 4.16Å; L85-L111 HydrophobicContact CD1-CG 4Å; T86-L111 PolarHBondContact O-N 3.34Å; A87-L111 CarbonylContact C-O 3.59Å; A87-L111 WeakPolarHBondContact CA-O 3.34Å; T88-L111 PolarHBondContact N-O 3.34Å; V109-L111 HydrophobicContact CG1-CD2 4.14Å; L111-V135 WeakPolarHBondContact CA-O 3.32Å; L111-V135 HydrophobicContact CD2-CB 3.7Å; L111-V135 HydrophobicContact CD2-CG1 4.28Å; L111-V135 HydrophobicContact CD2-CG2 4.01Å; L111-I137 HydrophobicContact CB-CG1 4.13Å; L111-C144 HydrophobicContact CB-CB 4.19Å; L111-L147 HydrophobicContact CD1-CB 3.95Å; L111-L147 HydrophobicContact CD1-CD1 4.42Å; L111-V148 HydrophobicContact CD1-CG2 3.79Å; L111-V148 HydrophobicContact CG-CG2 4.33Å; L111-L375 HydrophobicContact CD1-CD1 4.31Å; L111-L375 HydrophobicContact CD1-CD2 3.65Å; L111-L375 HydrophobicContact CD2-CD1 3.66Å
112Y98.2Very high96.1Very high1 Ų134.7 Ų34.70%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-145.7152.9175.469.6-82.9000111.5R114 I117 E122 F125 C126 V135 A136 I137 S365Y112-R114 PolarHBondContact O-N 3.2Å; Y112-I117 HydrophobicContact CD2-CD1 3.5Å; Y112-I117 VanDerWaalsContact CD2-CD1 3.5Å; Y112-I117 HydrophobicContact CD2-CG1 4.01Å; Y112-I117 HydrophobicContact CE2-CD1 3.85Å; Y112-I117 HydrophobicContact CE2-CG1 4.31Å; Y112-I117 HydrophobicContact CG-CD1 4.12Å; Y112-E122 HydrophobicContact CE2-CG 4.14Å; Y112-E122 VanDerWaalsContact CE2-OE1 3.26Å; Y112-E122 WeakPolarHBondContact CE2-OE1 3.5Å; Y112-E122 VanDerWaalsContact CZ-OE1 3.29Å; Y112-E122 PolarHBondContact OH-OE1 3.21Å; Y112-F125 AromaticContact CD1-CE2 3.9Å; Y112-F125 HydrophobicContact CD1-CE2 3.9Å; Y112-F125 AromaticContact CD1-CZ 3.9Å; Y112-F125 HydrophobicContact CD1-CZ 3.9Å; Y112-F125 HydrophobicContact CE1-CE2 4.22Å; Y112-F125 HydrophobicContact CE1-CZ 4.32Å; Y112-F125 HydrophobicContact CG-CE2 4.5Å; Y112-F125 HydrophobicContact CG-CZ 4.06Å; Y112-C126 VanDerWaalsContact CE1-SG 3.59Å; Y112-V135 WeakPolarHBondContact CD1-O 3.29Å; Y112-V135 PolarHBondContact N-O 3.11Å; Y112-V135 VanDerWaalsContact N-O 3.07Å; Y112-A136 HydrophobicContact CE1-CB 4.09Å; Y112-A136 HydrophobicContact CE2-CB 4.05Å; Y112-I137 PolarHBondContact O-N 3.45Å; Y112-S365 VanDerWaalsContact OH-CB 3.25Å; Y112-S365 WeakPolarHBondContact OH-CB 3.47Å; Y112-S365 PolarHBondContact OH-OG 2.92Å
113P97.3Very high96.2Very high4 Ų434.5 Ų34.53%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-73.2116.8-179.529.6-34.6000110.8T88 G115 K116 I117 G139T88-P113 WeakPolarHBondContact O-CD 3.41Å; P113-G115 PolarHBondContact O-N 3.5Å; P113-G115 VanDerWaalsContact O-N 3.17Å; P113-K116 HydrophobicContact CB-CB 3.88Å; P113-K116 HydrophobicContact CB-CD 4.4Å; P113-K116 HydrophobicContact CB-CG 4.34Å; P113-K116 HydrophobicContact CG-CB 3.83Å; P113-K116 PolarHBondContact O-N 3.14Å; P113-I117 HydrophobicContact CG-CG2 4.41Å; P113-G139 WeakPolarHBondContact CB-O 3.5Å
114R97.9Very high96.3Very high89 Ų8932.3 Ų32.334%0.33618%0.183SC..THydrogen-bonded Turntrans-58.3117.4-173.5-178170.763.7179.6-2.5112.1Y112 K116 A136 I137 D138 N367Y112-R114 PolarHBondContact O-N 3.2Å; R114-K116 WeakPolarHBondContact O-CD 3.48Å; R114-K116 WeakPolarHBondContact O-CE 3.3Å; R114-K116 PolarHBondContact O-NZ 3.45Å; R114-A136 HydrophobicContact CB-CB 3.85Å; R114-A136 HydrophobicContact CG-CB 3.92Å; R114-I137 WeakPolarHBondContact CB-O 3.43Å; R114-I137 PolarHBondContact N-O 3.3Å; R114-D138 IonicContact CZ-OD1 2.67Å; R114-D138 IonicContact NE-OD1 3.96Å; R114-D138 IonicContact NH2-OD1 2.7Å; R114-D138 PolarHBondContact NH2-OD1 3.06Å; R114-D138 IonicContact NH2-OD2 3.71Å; R114-N367 WeakPolarHBondContact CD-OD1 3.33Å; R114-N367 PolarHBondContact NH1-OD1 3.01Å
115G95.9Very high96.6Very high65 Ų6526.1 Ų26.167%0.6714%0.143SC*.THydrogen-bonded Turntrans76.415.2179.400000115.1P113P113-G115 PolarHBondContact O-N 3.5Å; P113-G115 VanDerWaalsContact O-N 3.17Å
116K94.2Very high96.8Very high92 Ų9225 Ų2540%0.414%0.137SC..  trans-116.815.8-179.1-70.769.1173.2-1660112P113 R114P113-K116 HydrophobicContact CB-CB 3.88Å; P113-K116 HydrophobicContact CB-CD 4.4Å; P113-K116 HydrophobicContact CB-CG 4.34Å; P113-K116 HydrophobicContact CG-CB 3.83Å; P113-K116 PolarHBondContact O-N 3.14Å; R114-K116 WeakPolarHBondContact O-CD 3.48Å; R114-K116 WeakPolarHBondContact O-CE 3.3Å; R114-K116 PolarHBondContact O-NZ 3.45Å
117I94.4Very high96.9Very high15 Ų1525.6 Ų25.68%0.07714%0.141CC..SBendtrans-125.6156.8172.466.7171000108.2S89 Y112 P113 E122 F125S89-I117 VanDerWaalsContact C-CG2 3.43Å; Y112-I117 HydrophobicContact CD2-CD1 3.5Å; Y112-I117 VanDerWaalsContact CD2-CD1 3.5Å; Y112-I117 HydrophobicContact CD2-CG1 4.01Å; Y112-I117 HydrophobicContact CE2-CD1 3.85Å; Y112-I117 HydrophobicContact CE2-CG1 4.31Å; Y112-I117 HydrophobicContact CG-CD1 4.12Å; P113-I117 HydrophobicContact CG-CG2 4.41Å; I117-E122 HydrophobicContact CD1-CB 3.72Å; I117-E122 HydrophobicContact CD1-CG 4.12Å; I117-E122 HydrophobicContact CG1-CB 4.09Å; I117-F125 HydrophobicContact CD1-CE1 3.79Å; I117-F125 HydrophobicContact CD1-CZ 3.8Å
118S93.1Very high97Very high16 Ų1623.6 Ų23.611%0.11213%0.133CC..  trans-64149.1-179.787.50000111L120 Q121 E122 K336S118-L120 PolarHBondContact O-N 2.86Å; S118-Q121 WeakPolarHBondContact O-CB 3.34Å; S118-Q121 PolarHBondContact O-N 2.76Å; S118-Q121 VanDerWaalsContact O-N 3.09Å; S118-Q121 WeakPolarHBondContact OG-CB 3.5Å; S118-Q121 VanDerWaalsContact OG-CG 3.23Å; S118-Q121 WeakPolarHBondContact OG-CG 3.49Å; S118-Q121 PolarHBondContact OG-N 2.71Å; S118-E122 PolarHBondContact O-N 3.5Å; S118-K336 PolarHBondContact OG-O 2.8Å
119P95.4Very high96.8Very high64 Ų6424.4 Ų24.442%0.41614%0.141SC..Hα-helixtrans-54.8-39.1178.2-27.935.3000113E122 K123P119-E122 PolarHBondContact O-N 3.08Å; P119-K123 VanDerWaalsContact O-CG 3.31Å; P119-K123 WeakPolarHBondContact O-CG 3.45Å; P119-K123 PolarHBondContact O-N 2.69Å
120L95.9Very high96.7Very high25 Ų2527.3 Ų27.313%0.13117%0.173CC..Hα-helixtrans-73.7-33.7179.2-69.1172.2000112.7S118 L124 A335 K338 L351 L355 A359S118-L120 PolarHBondContact O-N 2.86Å; L120-L124 WeakPolarHBondContact O-CB 3.38Å; L120-L124 PolarHBondContact O-N 2.86Å; L120-L124 VanDerWaalsContact O-N 3.11Å; L120-A335 WeakPolarHBondContact CD1-O 3.43Å; L120-K338 HydrophobicContact CD1-CB 3.64Å; L120-K338 HydrophobicContact CD1-CD 4.48Å; L120-L351 HydrophobicContact CD1-CD2 3.64Å; L120-L351 HydrophobicContact CD2-CD1 4.42Å; L120-L351 HydrophobicContact CD2-CD2 4.36Å; L120-L355 HydrophobicContact CB-CD2 4.29Å; L120-A359 HydrophobicContact CD2-CB 4.25Å
121Q95.1Very high96.7Very high1 Ų128.4 Ų28.41%0.00518%0.179CC..Hα-helixtrans-61.3-46.1169.8-77.4175.1-37.200110.6D91 S118 L124 F125 N254 F337D91-Q121 PolarHBondContact OD1-NE2 3.28Å; S118-Q121 WeakPolarHBondContact O-CB 3.34Å; S118-Q121 PolarHBondContact O-N 2.76Å; S118-Q121 VanDerWaalsContact O-N 3.09Å; S118-Q121 WeakPolarHBondContact OG-CB 3.5Å; S118-Q121 VanDerWaalsContact OG-CG 3.23Å; S118-Q121 WeakPolarHBondContact OG-CG 3.49Å; S118-Q121 PolarHBondContact OG-N 2.71Å; Q121-L124 PolarHBondContact O-N 3.49Å; Q121-F125 WeakPolarHBondContact O-CD1 3.37Å; Q121-F125 VanDerWaalsContact O-CE1 3.28Å; Q121-F125 WeakPolarHBondContact O-CE1 3.35Å; Q121-N254 PolarHBondContact OE1-ND2 2.89Å; Q121-F337 HydrophobicContact CG-CE1 4.44Å
122E97.9Very high96.7Very high35 Ų3528.7 Ų28.716%0.16418%0.18CC..Hα-helixtrans-60.5-50.3177.9-167.5177.1-145.700111.2Y112 I117 S118 P119 L124 F125 C126 L363Y112-E122 HydrophobicContact CE2-CG 4.14Å; Y112-E122 VanDerWaalsContact CE2-OE1 3.26Å; Y112-E122 WeakPolarHBondContact CE2-OE1 3.5Å; Y112-E122 VanDerWaalsContact CZ-OE1 3.29Å; Y112-E122 PolarHBondContact OH-OE1 3.21Å; I117-E122 HydrophobicContact CD1-CB 3.72Å; I117-E122 HydrophobicContact CD1-CG 4.12Å; I117-E122 HydrophobicContact CG1-CB 4.09Å; S118-E122 PolarHBondContact O-N 3.5Å; P119-E122 PolarHBondContact O-N 3.08Å; E122-L124 PolarHBondContact O-N 3.12Å; E122-F125 PolarHBondContact O-N 3.5Å; E122-C126 HydrophobicContact CG-CB 4.09Å; E122-C126 WeakPolarHBondContact O-CB 3.39Å; E122-C126 PolarHBondContact O-N 3.11Å; E122-C126 PolarHBondContact O-SG 2.71Å; E122-L363 HydrophobicContact CG-CD2 3.85Å
123K98.1Very high96.7Very high48 Ų4830.3 Ų30.321%0.20919%0.188CC..Hα-helixtrans-56.8-34.8178.5-72.9-68.9-179.5116.90113.1P119 F125 T127 A359 L361 L363P119-K123 VanDerWaalsContact O-CG 3.31Å; P119-K123 WeakPolarHBondContact O-CG 3.45Å; P119-K123 PolarHBondContact O-N 2.69Å; K123-F125 PolarHBondContact O-N 3.49Å; K123-T127 HydrophobicContact CB-CG2 4.38Å; K123-T127 HydrophobicContact CD-CG2 3.74Å; K123-T127 WeakPolarHBondContact O-CB 3.19Å; K123-T127 WeakPolarHBondContact O-CG2 3.32Å; K123-T127 PolarHBondContact O-OG1 3.12Å; K123-A359 WeakPolarHBondContact CE-O 3.4Å; K123-A359 PolarHBondContact NZ-O 3.31Å; K123-L361 WeakPolarHBondContact CD-O 3.32Å; K123-L361 WeakPolarHBondContact CE-O 3.2Å; K123-L361 PolarHBondContact NZ-O 3.47Å; K123-L363 HydrophobicContact CD-CD2 3.87Å
124L97.3Very high96.7Very high2 Ų230.3 Ų30.31%0.0119%0.188CC..Hα-helixtrans-63.2-27.6-176.7-168.756000112.8T58 A94 H98 L120 Q121 E122 L355 R358T58-L124 WeakPolarHBondContact O-CD2 3.44Å; A94-L124 HydrophobicContact CB-CB 4.23Å; A94-L124 HydrophobicContact CB-CD2 3.67Å; A94-L124 HydrophobicContact CB-CG 3.79Å; H98-L124 PolarHBondContact CE1-O 3.32Å; L120-L124 WeakPolarHBondContact O-CB 3.38Å; L120-L124 PolarHBondContact O-N 2.86Å; L120-L124 VanDerWaalsContact O-N 3.11Å; Q121-L124 PolarHBondContact O-N 3.49Å; E122-L124 PolarHBondContact O-N 3.12Å; L124-L355 HydrophobicContact CD1-CD2 4.3Å; L124-L355 HydrophobicContact CD2-CD2 4.14Å; L124-R358 WeakPolarHBondContact O-CD 3.42Å
125F98.2Very high96.8Very high0 Ų026.1 Ų26.10%017%0.172CC..Hα-helixtrans-127.3-20.7-177.873.6-89.7000115.5T88 A94 A97 I110 Y112 I117 Q121 E122 K123 T127 L128 T134T88-F125 HydrophobicContact CG2-CE1 4.5Å; T88-F125 HydrophobicContact CG2-CE2 4.4Å; T88-F125 HydrophobicContact CG2-CZ 3.96Å; A94-F125 HydrophobicContact CB-CB 4.21Å; A94-F125 HydrophobicContact CB-CD1 4.24Å; A97-F125 HydrophobicContact CB-CB 3.91Å; I110-F125 HydrophobicContact CB-CD2 4.37Å; I110-F125 HydrophobicContact CB-CE2 4.23Å; I110-F125 HydrophobicContact CD1-CD2 3.85Å; I110-F125 HydrophobicContact CD1-CE2 4.5Å; I110-F125 HydrophobicContact CG2-CD2 4.03Å; I110-F125 HydrophobicContact CG2-CE2 3.58Å; I110-F125 HydrophobicContact CG2-CZ 4.35Å; Y112-F125 AromaticContact CD1-CE2 3.9Å; Y112-F125 HydrophobicContact CD1-CE2 3.9Å; Y112-F125 AromaticContact CD1-CZ 3.9Å; Y112-F125 HydrophobicContact CD1-CZ 3.9Å; Y112-F125 HydrophobicContact CE1-CE2 4.22Å; Y112-F125 HydrophobicContact CE1-CZ 4.32Å; Y112-F125 HydrophobicContact CG-CE2 4.5Å; Y112-F125 HydrophobicContact CG-CZ 4.06Å; I117-F125 HydrophobicContact CD1-CE1 3.79Å; I117-F125 HydrophobicContact CD1-CZ 3.8Å; Q121-F125 WeakPolarHBondContact O-CD1 3.37Å; Q121-F125 VanDerWaalsContact O-CE1 3.28Å; Q121-F125 WeakPolarHBondContact O-CE1 3.35Å; E122-F125 PolarHBondContact O-N 3.5Å; K123-F125 PolarHBondContact O-N 3.49Å; F125-T127 VanDerWaalsContact C-N 3.27Å; F125-T127 PolarHBondContact O-N 2.97Å; F125-L128 HydrophobicContact CB-CD1 4.46Å; F125-T134 HydrophobicContact CD2-CG2 3.69Å; F125-T134 HydrophobicContact CE2-CG2 3.99Å
126C98.5Very high96.9Very high1 Ų123.1 Ų23.11%0.00714%0.141CC..Hα-helixtrans-84.24.2177.8-62.60000114Y112 E122 T134 L363 L364 S365Y112-C126 VanDerWaalsContact CE1-SG 3.59Å; E122-C126 HydrophobicContact CG-CB 4.09Å; E122-C126 WeakPolarHBondContact O-CB 3.39Å; E122-C126 PolarHBondContact O-N 3.11Å; E122-C126 PolarHBondContact O-SG 2.71Å; C126-T134 HydrophobicContact CB-CG2 4.41Å; C126-L363 HydrophobicContact CB-CD2 3.86Å; C126-L364 WeakPolarHBondContact O-CB 3.47Å; C126-L364 PolarHBondContact O-N 3.49Å; C126-S365 VanDerWaalsContact CB-OG 3.26Å; C126-S365 WeakPolarHBondContact CB-OG 3.4Å; C126-S365 PolarHBondContact SG-OG 3.24Å
127T98.1Very high97.1Very high13 Ų1318.7 Ų18.78%0.0812%0.122CC..THydrogen-bonded Turntrans-114.94.8-178.564.70000113.1K123 F125 R358 L361 L363K123-T127 HydrophobicContact CB-CG2 4.38Å; K123-T127 HydrophobicContact CD-CG2 3.74Å; K123-T127 WeakPolarHBondContact O-CB 3.19Å; K123-T127 WeakPolarHBondContact O-CG2 3.32Å; K123-T127 PolarHBondContact O-OG1 3.12Å; F125-T127 VanDerWaalsContact C-N 3.27Å; F125-T127 PolarHBondContact O-N 2.97Å; T127-R358 PolarHBondContact OG1-NH1 2.97Å; T127-L361 HydrophobicContact CG2-CB 3.71Å; T127-L363 HydrophobicContact CG2-CD2 4.4Å
128L97.8Very high97.3Very high14 Ų1422.2 Ų22.27%0.07314%0.141CC..  trans-78-46.5-173.7-77.4165.5000113.2A97 Y101 F125 I132 R358A97-L128 HydrophobicContact CB-CD1 3.43Å; A97-L128 VanDerWaalsContact CB-CD1 3.43Å; Y101-L128 HydrophobicContact CD2-CB 4.22Å; Y101-L128 HydrophobicContact CD2-CD2 3.99Å; Y101-L128 HydrophobicContact CE2-CB 3.93Å; Y101-L128 HydrophobicContact CE2-CD2 3.98Å; Y101-L128 HydrophobicContact CG-CD2 4.39Å; Y101-L128 PolarHBondContact OH-O 2.79Å; F125-L128 HydrophobicContact CB-CD1 4.46Å; L128-I132 HydrophobicContact CB-CB 4.15Å; L128-I132 HydrophobicContact CB-CG1 4.07Å; L128-I132 HydrophobicContact CB-CG2 4.45Å; L128-I132 HydrophobicContact CD1-CG1 4.21Å; L128-I132 HydrophobicContact CD1-CG2 4.43Å; L128-R358 VanDerWaalsContact CD2-NH1 3.32Å
129G95.5Very high97.4Very high17 Ų1722.5 Ų22.518%0.17515%0.146CC..  trans59.7-154.4-172.300000112.7Y101 N131 I132Y101-G129 WeakPolarHBondContact CE2-O 3.32Å; G129-N131 PolarHBondContact O-N 2.69Å; G129-I132 PolarHBondContact O-N 3.39Å; G129-I132 VanDerWaalsContact O-N 3.17Å
130G96.3Very high97.3Very high71 Ų7122 Ų2273%0.73214%0.14SC*.THydrogen-bonded Turntrans67.8-115.418000000111.8I132G130-I132 VanDerWaalsContact C-N 3.31Å
131N96.8Very high97.1Very high23 Ų2321.3 Ų21.312%0.12314%0.136CC..THydrogen-bonded Turntrans-88.65.9177.374.1-46.8000114F100 G102 V106 V108 G129F100-N131 PolarHBondContact O-ND2 3.21Å; G102-N131 PolarHBondContact N-OD1 2.9Å; V106-N131 WeakPolarHBondContact O-CB 3.44Å; V106-N131 PolarHBondContact O-ND2 2.72Å; V108-N131 PolarHBondContact N-O 2.95Å; G129-N131 PolarHBondContact O-N 2.69Å
132I98.2Very high96.9Very high7 Ų722 Ų224%0.03614%0.139CC..EExtended strand (participates in β ladder)trans-107.2115.9-178.6-48.5-56.7000110.2A97 Y101 V108 I110 L128 G129 G130 T134A97-I132 HydrophobicContact CB-CD1 4.28Å; A97-I132 HydrophobicContact CB-CG1 4.44Å; A97-I132 HydrophobicContact CB-CG2 3.95Å; A97-I132 WeakPolarHBondContact O-CD1 3.5Å; Y101-I132 HydrophobicContact CD2-CD1 4.21Å; Y101-I132 HydrophobicContact CD2-CG1 3.58Å; Y101-I132 HydrophobicContact CE2-CG1 4.17Å; V108-I132 HydrophobicContact CB-CD1 3.74Å; V108-I132 HydrophobicContact CG2-CD1 3.67Å; I110-I132 HydrophobicContact CD1-CG2 4.34Å; L128-I132 HydrophobicContact CB-CB 4.15Å; L128-I132 HydrophobicContact CB-CG1 4.07Å; L128-I132 HydrophobicContact CB-CG2 4.45Å; L128-I132 HydrophobicContact CD1-CG1 4.21Å; L128-I132 HydrophobicContact CD1-CG2 4.43Å; G129-I132 PolarHBondContact O-N 3.39Å; G129-I132 VanDerWaalsContact O-N 3.17Å; G130-I132 VanDerWaalsContact C-N 3.31Å; I132-T134 HydrophobicContact CG2-CG2 4.15Å
133E98.3Very high96.8Very high35 Ų3521.6 Ų21.616%0.16414%0.142CC..EExtended strand (participates in β ladder)trans-106.3134.5172.7-144.368.1-137.200109.3V108 V109 I110 H366 H382V108-E133 PolarHBondContact O-N 3.27Å; V109-E133 WeakPolarHBondContact CA-O 3.48Å; V109-E133 HydrophobicContact CG2-CB 4.23Å; I110-E133 PolarHBondContact N-O 3.38Å; E133-H366 IonicContact OE1-CD2 2.92Å; E133-H366 PolarHBondContact OE1-CD2 3.05Å; E133-H366 IonicContact OE1-CE1 3.24Å; E133-H366 IonicContact OE1-NE2 2.74Å; E133-H366 PolarHBondContact OE1-NE2 2.96Å; E133-H382 IonicContact OE1-CD2 3.99Å
134T98.6Very high96.7Very high4 Ų419.3 Ų19.33%0.02513%0.132CC..EExtended strand (participates in β ladder)trans-124.8141-179.9590000110.9I110 F125 C126 I132 S365 H366I110-T134 HydrophobicContact CB-CG2 4.39Å; F125-T134 HydrophobicContact CD2-CG2 3.69Å; F125-T134 HydrophobicContact CE2-CG2 3.99Å; C126-T134 HydrophobicContact CB-CG2 4.41Å; I132-T134 HydrophobicContact CG2-CG2 4.15Å; T134-S365 WeakPolarHBondContact O-CA 3.5Å; T134-S365 VanDerWaalsContact OG1-CA 3.28Å; T134-S365 WeakPolarHBondContact OG1-CA 3.31Å; T134-S365 WeakPolarHBondContact OG1-CB 3.44Å; T134-S365 PolarHBondContact OG1-OG 2.79Å; T134-H366 PolarHBondContact O-N 3Å
135V98.7Very high96.5Very high0 Ų019.6 Ų19.60%013%0.133CC..EExtended strand (participates in β ladder)trans-133.7114.4-175.3-173.70000109.9V109 I110 L111 Y112 I137 H366 L368 L378V109-V135 HydrophobicContact CG1-CG2 4.27Å; I110-V135 PolarHBondContact O-N 3.01Å; L111-V135 WeakPolarHBondContact CA-O 3.32Å; L111-V135 HydrophobicContact CD2-CB 3.7Å; L111-V135 HydrophobicContact CD2-CG1 4.28Å; L111-V135 HydrophobicContact CD2-CG2 4.01Å; Y112-V135 WeakPolarHBondContact CD1-O 3.29Å; Y112-V135 PolarHBondContact N-O 3.11Å; Y112-V135 VanDerWaalsContact N-O 3.07Å; V135-I137 HydrophobicContact CG1-CD1 3.66Å; V135-I137 HydrophobicContact CG1-CG1 4.34Å; V135-I137 PolarHBondContact O-N 2.91Å; V135-H366 CarbonylContact C-O 3.55Å; V135-H366 WeakPolarHBondContact CA-O 3.3Å; V135-L368 HydrophobicContact CG1-CB 3.83Å; V135-L368 HydrophobicContact CG1-CD1 3.89Å; V135-L368 HydrophobicContact CG1-CD2 4.18Å; V135-L368 HydrophobicContact CG1-CG 4.17Å; V135-L378 HydrophobicContact CG2-CD1 4.24Å; V135-L378 HydrophobicContact CG2-CD2 4.13Å
136A98.6Very high96.2Very high2 Ų222.1 Ų22.12%0.01715%0.154CC..EExtended strand (participates in β ladder)trans-82.1103.6173.100000109.2Y112 R114 H366 L368Y112-A136 HydrophobicContact CE1-CB 4.09Å; Y112-A136 HydrophobicContact CE2-CB 4.05Å; R114-A136 HydrophobicContact CB-CB 3.85Å; R114-A136 HydrophobicContact CG-CB 3.92Å; A136-H366 PolarHBondContact N-O 3.49Å; A136-L368 PolarHBondContact O-N 2.82Å; A136-L368 VanDerWaalsContact O-N 3.1Å
137I98.6Very high96.1Very high0 Ų022.4 Ų22.40%016%0.156CC..EExtended strand (participates in β ladder)trans-84.9134.2-178.6-60.7-64.4000110.2L111 Y112 R114 V135 G139 L147 L368 A370L111-I137 HydrophobicContact CB-CG1 4.13Å; Y112-I137 PolarHBondContact O-N 3.45Å; R114-I137 WeakPolarHBondContact CB-O 3.43Å; R114-I137 PolarHBondContact N-O 3.3Å; V135-I137 HydrophobicContact CG1-CD1 3.66Å; V135-I137 HydrophobicContact CG1-CG1 4.34Å; V135-I137 PolarHBondContact O-N 2.91Å; I137-G139 PolarHBondContact O-N 2.91Å; I137-L147 HydrophobicContact CD1-CD1 3.88Å; I137-L147 HydrophobicContact CG1-CD1 4.24Å; I137-L147 HydrophobicContact CG2-CD1 4.11Å; I137-L368 CarbonylContact C-O 3.49Å; I137-L368 WeakPolarHBondContact CA-O 3.33Å; I137-L368 HydrophobicContact CD1-CB 3.98Å; I137-A370 HydrophobicContact CG2-CB 3.97Å
138D98.2Very high96Very high89 Ų8921.9 Ų21.948%0.47615%0.152SC..EExtended strand (participates in β ladder)trans-75.575.6170.7-158.338.9000111.2R114 L368R114-D138 IonicContact CZ-OD1 2.67Å; R114-D138 IonicContact NE-OD1 3.96Å; R114-D138 IonicContact NH2-OD1 2.7Å; R114-D138 PolarHBondContact NH2-OD1 3.06Å; R114-D138 IonicContact NH2-OD2 3.71Å; D138-L368 PolarHBondContact N-O 3.28Å
139G95.5Very high95.7Very high21 Ų2125.3 Ų25.322%0.21617%0.167CC..SBendtrans-175.2-165.9-177.300000111.8P113 I137P113-G139 WeakPolarHBondContact CB-O 3.5Å; I137-G139 PolarHBondContact O-N 2.91Å
140D93.6Very high95.7Very high55 Ų5528.9 Ų28.929%0.29418%0.179SC..  trans-100.3-177.1172.666.89.2000111.8D142 A143 C144 T248D140-D142 VanDerWaalsContact C-N 3.33Å; D140-D142 PolarHBondContact OD1-N 2.97Å; D140-A143 PolarHBondContact O-N 3.44Å; D140-A143 WeakPolarHBondContact OD1-CB 3.2Å; D140-A143 PolarHBondContact OD1-N 2.98Å; D140-C144 PolarHBondContact O-N 2.93Å; D140-C144 VanDerWaalsContact O-N 3.15Å; D140-C144 PolarHBondContact O-SG 3.17Å; D140-T248 VanDerWaalsContact OD2-CB 3.31Å; D140-T248 WeakPolarHBondContact OD2-CB 3.39Å; D140-T248 PolarHBondContact OD2-OG1 2.84Å
141F92.2Very high95.7Very high10 Ų1025.5 Ų25.54%0.04414%0.144CC..Hα-helixtrans-63.4-38.6178.3170.8-103.3000112.3A87 A143 C144 Q145 V258A87-F141 HydrophobicContact CB-CE2 4.14Å; F141-A143 VanDerWaalsContact C-N 3.32Å; F141-A143 PolarHBondContact O-N 2.88Å; F141-C144 WeakPolarHBondContact O-CB 3.37Å; F141-C144 PolarHBondContact O-N 2.81Å; F141-Q145 HydrophobicContact CE1-CB 4.5Å; F141-Q145 HydrophobicContact CZ-CB 4.39Å; F141-Q145 WeakPolarHBondContact O-CB 3.48Å; F141-Q145 PolarHBondContact O-N 3.3Å; F141-V258 HydrophobicContact CD1-CB 4.4Å; F141-V258 HydrophobicContact CD1-CG1 4.21Å; F141-V258 HydrophobicContact CD1-CG2 3.63Å; F141-V258 HydrophobicContact CE1-CG1 4.11Å; F141-V258 HydrophobicContact CE1-CG2 3.78Å
142D90.7Very high95.5Very high16 Ų1627.2 Ų27.29%0.08615%0.15CC..Hα-helixtrans-61.7-41.3179.1-821.2000110.8D140 Q145 A146 Q260D140-D142 VanDerWaalsContact C-N 3.33Å; D140-D142 PolarHBondContact OD1-N 2.97Å; D142-Q145 PolarHBondContact O-N 2.87Å; D142-A146 WeakPolarHBondContact O-CB 3.25Å; D142-A146 PolarHBondContact O-N 3.04Å; D142-Q260 PolarHBondContact OD2-N 3.47Å; D142-Q260 PolarHBondContact OD2-NE2 2.85Å
143A94.8Very high95.3Very high26 Ų2633.4 Ų33.422%0.21518%0.183CC..Hα-helixtrans-62.7-44.1172.900000112.3D140 F141 Q145 A146 L147 A370D140-A143 PolarHBondContact O-N 3.44Å; D140-A143 WeakPolarHBondContact OD1-CB 3.2Å; D140-A143 PolarHBondContact OD1-N 2.98Å; F141-A143 VanDerWaalsContact C-N 3.32Å; F141-A143 PolarHBondContact O-N 2.88Å; A143-Q145 VanDerWaalsContact C-N 3.32Å; A143-Q145 PolarHBondContact O-N 2.96Å; A143-A146 PolarHBondContact O-N 2.85Å; A143-L147 WeakPolarHBondContact O-CG 3.34Å; A143-L147 PolarHBondContact O-N 3.18Å; A143-A370 HydrophobicContact CB-CB 4.4Å
144C95.9Very high95.2Very high0 Ų032.9 Ų32.90%018%0.182CC..Hα-helixtrans-59-45.3174.7-63.30000111.2A87 L111 D140 F141 A146 L147 V148A87-C144 HydrophobicContact CB-CB 4Å; L111-C144 HydrophobicContact CB-CB 4.19Å; D140-C144 PolarHBondContact O-N 2.93Å; D140-C144 VanDerWaalsContact O-N 3.15Å; D140-C144 PolarHBondContact O-SG 3.17Å; F141-C144 WeakPolarHBondContact O-CB 3.37Å; F141-C144 PolarHBondContact O-N 2.81Å; C144-A146 VanDerWaalsContact C-N 3.35Å; C144-L147 PolarHBondContact O-N 3.08Å; C144-V148 WeakPolarHBondContact O-CG2 3.17Å; C144-V148 PolarHBondContact O-N 3.43Å; C144-V148 VanDerWaalsContact O-N 3.14Å
145Q92.4Very high95.1Very high7 Ų738.1 Ų38.13%0.03321%0.206CC..Hα-helixtrans-67.1-36179.5-171.3174.4-110.900111.9A87 F141 D142 A143 V148 K149 N204A87-Q145 HydrophobicContact CB-CB 4.23Å; F141-Q145 HydrophobicContact CE1-CB 4.5Å; F141-Q145 HydrophobicContact CZ-CB 4.39Å; F141-Q145 WeakPolarHBondContact O-CB 3.48Å; F141-Q145 PolarHBondContact O-N 3.3Å; D142-Q145 PolarHBondContact O-N 2.87Å; A143-Q145 VanDerWaalsContact C-N 3.32Å; A143-Q145 PolarHBondContact O-N 2.96Å; Q145-V148 PolarHBondContact O-N 3.34Å; Q145-K149 WeakPolarHBondContact O-CG 3.37Å; Q145-K149 PolarHBondContact O-N 3.32Å; Q145-N204 PolarHBondContact OE1-ND2 3.35Å
146A93.2Very high95Very high53 Ų5344.7 Ų44.744%0.43824%0.237SC..Hα-helixtrans-62.5-43.6174.600000111.7D142 A143 C144 V148 K149 Q150D142-A146 WeakPolarHBondContact O-CB 3.25Å; D142-A146 PolarHBondContact O-N 3.04Å; A143-A146 PolarHBondContact O-N 2.85Å; C144-A146 VanDerWaalsContact C-N 3.35Å; A146-V148 VanDerWaalsContact C-N 3.35Å; A146-V148 PolarHBondContact O-N 3.4Å; A146-K149 PolarHBondContact O-N 2.93Å; A146-Q150 WeakPolarHBondContact O-CB 3.19Å; A146-Q150 PolarHBondContact O-N 3Å
147L96.8Very high94.9Very high8 Ų844.7 Ų44.74%0.04224%0.236CC..Hα-helixtrans-60.9-42175-69.2173.5000112.4L111 I137 A143 C144 Q150 A151 F372 L375L111-L147 HydrophobicContact CD1-CB 3.95Å; L111-L147 HydrophobicContact CD1-CD1 4.42Å; I137-L147 HydrophobicContact CD1-CD1 3.88Å; I137-L147 HydrophobicContact CG1-CD1 4.24Å; I137-L147 HydrophobicContact CG2-CD1 4.11Å; A143-L147 WeakPolarHBondContact O-CG 3.34Å; A143-L147 PolarHBondContact O-N 3.18Å; C144-L147 PolarHBondContact O-N 3.08Å; L147-Q150 PolarHBondContact O-N 2.79Å; L147-A151 PolarHBondContact O-N 3.37Å; L147-A151 VanDerWaalsContact O-N 3.07Å; L147-F372 HydrophobicContact CD2-CB 3.96Å; L147-L375 HydrophobicContact CB-CD2 3.89Å
148V94.8Very high94.8Very high2 Ų247.3 Ų47.31%0.01225%0.248CC..Hα-helixtrans-60.6-47.9174.8176.10000110.5L85 A87 L111 C144 Q145 A146 Q150 A151 F152L85-V148 HydrophobicContact CD1-CG2 4.48Å; L85-V148 HydrophobicContact CD2-CB 4.38Å; L85-V148 HydrophobicContact CD2-CG1 4.28Å; L85-V148 HydrophobicContact CD2-CG2 4.24Å; L85-V148 HydrophobicContact CG-CB 4.44Å; L85-V148 HydrophobicContact CG-CG1 4.18Å; L85-V148 HydrophobicContact CG-CG2 3.91Å; A87-V148 HydrophobicContact CB-CG2 3.76Å; L111-V148 HydrophobicContact CD1-CG2 3.79Å; L111-V148 HydrophobicContact CG-CG2 4.33Å; C144-V148 WeakPolarHBondContact O-CG2 3.17Å; C144-V148 PolarHBondContact O-N 3.43Å; C144-V148 VanDerWaalsContact O-N 3.14Å; Q145-V148 PolarHBondContact O-N 3.34Å; A146-V148 VanDerWaalsContact C-N 3.35Å; A146-V148 PolarHBondContact O-N 3.4Å; V148-Q150 PolarHBondContact O-N 3.11Å; V148-A151 VanDerWaalsContact O-CB 3.32Å; V148-A151 WeakPolarHBondContact O-CB 3.31Å; V148-A151 PolarHBondContact O-N 3.09Å; V148-F152 HydrophobicContact CG1-CD2 4.43Å; V148-F152 HydrophobicContact CG1-CE2 3.95Å; V148-F152 WeakPolarHBondContact O-CD2 3.49Å
149K91.7Very high94.6Very high86 Ų8648.2 Ų48.237%0.37426%0.256SS..Hα-helixtrans-59.7-46.2177.9-72.9174.5175.6-178.60112Q145 A146 A151 F152 D153 N262Q145-K149 WeakPolarHBondContact O-CG 3.37Å; Q145-K149 PolarHBondContact O-N 3.32Å; A146-K149 PolarHBondContact O-N 2.93Å; K149-A151 PolarHBondContact O-N 2.66Å; K149-F152 WeakPolarHBondContact O-CB 3.35Å; K149-F152 PolarHBondContact O-N 2.94Å; K149-D153 PolarHBondContact O-N 3.33Å; K149-N262 WeakPolarHBondContact CE-OD1 3.43Å; K149-N262 PolarHBondContact NZ-OD1 3.41Å
150Q95.6Very high94.7Very high91 Ų9150 Ų5043%0.42527%0.269SS..Hα-helixtrans-59.5-32.5178.7-171173.5-6.500112.1A146 L147 V148 F152 D153 D154 F372A146-Q150 WeakPolarHBondContact O-CB 3.19Å; A146-Q150 PolarHBondContact O-N 3Å; L147-Q150 PolarHBondContact O-N 2.79Å; V148-Q150 PolarHBondContact O-N 3.11Å; Q150-F152 VanDerWaalsContact C-N 3.26Å; Q150-F152 PolarHBondContact O-N 2.96Å; Q150-D153 PolarHBondContact O-N 2.86Å; Q150-D153 VanDerWaalsContact O-N 3.16Å; Q150-D154 PolarHBondContact O-N 3.33Å; Q150-F372 HydrophobicContact CB-CD2 3.97Å; Q150-F372 HydrophobicContact CB-CE2 4.24Å; Q150-F372 HydrophobicContact CB-CG 4.39Å; Q150-F372 VanDerWaalsContact CD-CB 3.44Å; Q150-F372 VanDerWaalsContact CD-CG 3.42Å; Q150-F372 HydrophobicContact CG-CB 4.3Å; Q150-F372 HydrophobicContact CG-CD1 4.01Å; Q150-F372 HydrophobicContact CG-CD2 3.8Å; Q150-F372 HydrophobicContact CG-CE1 4.3Å; Q150-F372 HydrophobicContact CG-CE2 4.12Å; Q150-F372 HydrophobicContact CG-CG 3.75Å; Q150-F372 HydrophobicContact CG-CZ 4.36Å
151A96.1Very high94.8Very high0 Ų048 Ų480%026%0.258CS..Hα-helixtrans-63.9-27.8173.600000113.7L85 L147 V148 K149 D153 D154 L157 L163 F372L85-A151 HydrophobicContact CD2-CB 3.46Å; L85-A151 VanDerWaalsContact CD2-CB 3.46Å; L147-A151 PolarHBondContact O-N 3.37Å; L147-A151 VanDerWaalsContact O-N 3.07Å; V148-A151 VanDerWaalsContact O-CB 3.32Å; V148-A151 WeakPolarHBondContact O-CB 3.31Å; V148-A151 PolarHBondContact O-N 3.09Å; K149-A151 PolarHBondContact O-N 2.66Å; A151-D153 VanDerWaalsContact C-N 3.34Å; A151-D154 PolarHBondContact O-N 3.07Å; A151-L157 HydrophobicContact CB-CD2 4.02Å; A151-L163 HydrophobicContact CB-CD2 3.75Å; A151-L163 WeakPolarHBondContact O-CD2 3.36Å; A151-F372 VanDerWaalsContact CA-CE2 3.44Å; A151-F372 HydrophobicContact CB-CE2 3.79Å; A151-F372 HydrophobicContact CB-CZ 4.41Å
152F92.7Very high94.9Very high59 Ų5948.7 Ų48.726%0.25927%0.268SS..Hα-helixtrans-80.8-15.1175.7-74.9-88.5000113.5V148 K149 Q150 K158 L163 N164V148-F152 HydrophobicContact CG1-CD2 4.43Å; V148-F152 HydrophobicContact CG1-CE2 3.95Å; V148-F152 WeakPolarHBondContact O-CD2 3.49Å; K149-F152 WeakPolarHBondContact O-CB 3.35Å; K149-F152 PolarHBondContact O-N 2.94Å; Q150-F152 VanDerWaalsContact C-N 3.26Å; Q150-F152 PolarHBondContact O-N 2.96Å; F152-K158 HydrophobicContact CB-CD 4.47Å; F152-K158 HydrophobicContact CD1-CD 4.18Å; F152-K158 WeakPolarHBondContact O-CD 3.19Å; F152-K158 WeakPolarHBondContact O-CE 3.49Å; F152-K158 PolarHBondContact O-NZ 2.95Å; F152-L163 HydrophobicContact CD1-CD2 4.44Å; F152-L163 HydrophobicContact CD2-CD2 4.36Å; F152-L163 HydrophobicContact CE1-CD2 4.32Å; F152-L163 HydrophobicContact CE1-CG 4.3Å; F152-L163 HydrophobicContact CE2-CD2 4.21Å; F152-L163 HydrophobicContact CE2-CG 4.5Å; F152-L163 HydrophobicContact CG-CD2 4.44Å; F152-L163 HydrophobicContact CZ-CD2 4.17Å; F152-L163 HydrophobicContact CZ-CG 4.08Å; F152-N164 VanDerWaalsContact CZ-C 3.47Å
153D94.9Very high95Very high137 Ų13748.9 Ų48.973%0.73327%0.269SS*.Hα-helixtrans-83.5-16.6171.3-63.6-38.3000111.8K149 Q150 A151 E155K149-D153 PolarHBondContact O-N 3.33Å; Q150-D153 PolarHBondContact O-N 2.86Å; Q150-D153 VanDerWaalsContact O-N 3.16Å; A151-D153 VanDerWaalsContact C-N 3.34Å; D153-E155 PolarHBondContact O-N 3.15Å
154D96.5Very high95Very high24 Ų2449.8 Ų49.813%0.12827%0.27CS..  trans-86.294.8174.9-170.8-33.8000110.8Q150 A151 E156 L157 K158 F372 R376Q150-D154 PolarHBondContact O-N 3.33Å; A151-D154 PolarHBondContact O-N 3.07Å; D154-E156 VanDerWaalsContact C-N 3.28Å; D154-E156 PolarHBondContact O-N 3.27Å; D154-E156 WeakPolarHBondContact OD1-CB 3.49Å; D154-E156 PolarHBondContact OD1-N 3.49Å; D154-L157 HydrophobicContact CB-CB 3.89Å; D154-L157 VanDerWaalsContact CG-CB 3.49Å; D154-L157 PolarHBondContact O-N 2.83Å; D154-L157 WeakPolarHBondContact OD1-CB 3.23Å; D154-L157 PolarHBondContact OD1-N 3.28Å; D154-K158 WeakPolarHBondContact O-CG 3.5Å; D154-K158 PolarHBondContact O-N 2.8Å; D154-F372 HydrophobicContact CB-CE1 4.33Å; D154-F372 HydrophobicContact CB-CZ 3.95Å; D154-R376 IonicContact OD1-NH2 3.54Å; D154-R376 WeakPolarHBondContact OD2-CD 3.21Å; D154-R376 IonicContact OD2-CZ 2.69Å; D154-R376 IonicContact OD2-NE 2.97Å; D154-R376 PolarHBondContact OD2-NE 3.4Å; D154-R376 IonicContact OD2-NH2 3.74Å
155E96.2Very high94.7Very high114 Ų11450.1 Ų50.153%0.53327%0.272SS..Hα-helixtrans-61.2-35.5-178.7-163.961.5-135.500113D153 K158 V159D153-E155 PolarHBondContact O-N 3.15Å; E155-K158 VanDerWaalsContact CD-CE 3.5Å; E155-K158 PolarHBondContact O-N 3.19Å; E155-K158 IonicContact OE1-NZ 3.48Å; E155-K158 WeakPolarHBondContact OE2-CE 3.29Å; E155-K158 IonicContact OE2-NZ 2.64Å; E155-K158 PolarHBondContact OE2-NZ 2.66Å; E155-V159 WeakPolarHBondContact O-CG2 3.36Å; E155-V159 PolarHBondContact O-N 3.16Å
156E96.8Very high94.5Very high139 Ų13949.8 Ų49.865%0.6527%0.271SS*.Hα-helixtrans-66-45.7-179.7-59.7160.117600110.3D154 A160 R376D154-E156 VanDerWaalsContact C-N 3.28Å; D154-E156 PolarHBondContact O-N 3.27Å; D154-E156 WeakPolarHBondContact OD1-CB 3.49Å; D154-E156 PolarHBondContact OD1-N 3.49Å; E156-A160 WeakPolarHBondContact O-CB 3.37Å; E156-A160 PolarHBondContact O-N 2.93Å; E156-R376 IonicContact OE2-NH2 3.38Å; E156-R376 PolarHBondContact OE2-NH2 3.08Å
157L96.2Very high94Very high1 Ų147.4 Ų47.41%0.00525%0.251CS..Hα-helixtrans-64.8-43176.2-172.566.2000111.5A151 D154 V159 A160 L161 F372 R376 M380A151-L157 HydrophobicContact CB-CD2 4.02Å; D154-L157 HydrophobicContact CB-CB 3.89Å; D154-L157 VanDerWaalsContact CG-CB 3.49Å; D154-L157 PolarHBondContact O-N 2.83Å; D154-L157 WeakPolarHBondContact OD1-CB 3.23Å; D154-L157 PolarHBondContact OD1-N 3.28Å; L157-V159 PolarHBondContact O-N 3.08Å; L157-A160 PolarHBondContact O-N 3.38Å; L157-L161 HydrophobicContact CD1-CD1 3.42Å; L157-L161 VanDerWaalsContact CD1-CD1 3.42Å; L157-L161 HydrophobicContact CD1-CG 4.03Å; L157-L161 HydrophobicContact CG-CD1 4.17Å; L157-L161 WeakPolarHBondContact O-CB 3.03Å; L157-L161 PolarHBondContact O-N 2.81Å; L157-L161 VanDerWaalsContact O-N 3.08Å; L157-F372 HydrophobicContact CD2-CE2 4.48Å; L157-F372 HydrophobicContact CD2-CZ 4.17Å; L157-R376 HydrophobicContact CD1-CG 4.17Å; L157-R376 HydrophobicContact CD2-CG 4.31Å; L157-M380 HydrophobicContact CD1-CG 4.15Å; L157-M380 HydrophobicContact CD1-SD 3.73Å
158K95.3Very high92.8Very high55 Ų5547.7 Ų47.724%0.23925%0.253CS..Hα-helixtrans-57.7-49177.6-79.7-170.9-61.9-167.50112.3F152 D154 E155 G162 L163F152-K158 HydrophobicContact CB-CD 4.47Å; F152-K158 HydrophobicContact CD1-CD 4.18Å; F152-K158 WeakPolarHBondContact O-CD 3.19Å; F152-K158 WeakPolarHBondContact O-CE 3.49Å; F152-K158 PolarHBondContact O-NZ 2.95Å; D154-K158 WeakPolarHBondContact O-CG 3.5Å; D154-K158 PolarHBondContact O-N 2.8Å; E155-K158 VanDerWaalsContact CD-CE 3.5Å; E155-K158 PolarHBondContact O-N 3.19Å; E155-K158 IonicContact OE1-NZ 3.48Å; E155-K158 WeakPolarHBondContact OE2-CE 3.29Å; E155-K158 IonicContact OE2-NZ 2.64Å; E155-K158 PolarHBondContact OE2-NZ 2.66Å; K158-G162 VanDerWaalsContact O-CA 3.31Å; K158-G162 WeakPolarHBondContact O-CA 3.42Å; K158-G162 PolarHBondContact O-N 2.99Å; K158-L163 HydrophobicContact CB-CB 4.33Å; K158-L163 HydrophobicContact CG-CB 4.1Å; K158-L163 HydrophobicContact CG-CD2 4.07Å; K158-L163 PolarHBondContact O-N 3.03Å
159V95.6Very high91.9Very high109 Ų10950.6 Ų50.666%0.66127%0.268SS*.Hα-helixtrans-69.8-45-178.6173.40000110.8E155 L157 L161E155-V159 WeakPolarHBondContact O-CG2 3.36Å; E155-V159 PolarHBondContact O-N 3.16Å; L157-V159 PolarHBondContact O-N 3.08Å; V159-L161 VanDerWaalsContact C-N 3.34Å; V159-L161 PolarHBondContact O-N 2.95Å
160A96.3Very high91.7Very high57 Ų5748 Ų4847%0.47126%0.259SS..Hα-helixtrans-61.8-40.5-17700000112.8E156 L157 M380E156-A160 WeakPolarHBondContact O-CB 3.37Å; E156-A160 PolarHBondContact O-N 2.93Å; L157-A160 PolarHBondContact O-N 3.38Å; A160-M380 HydrophobicContact CB-CE 4.31Å; A160-M380 HydrophobicContact CB-SD 4.45Å
161L95.1Very high91.6Very high14 Ų1448.3 Ų48.37%0.07326%0.262CS..Hα-helixtrans-102.8-4.7-173.6-58.4-173.9000114T83 L157 V159 M379 M380 Q383T83-L161 WeakPolarHBondContact CB-O 3.41Å; T83-L161 HydrophobicContact CG2-CB 4.43Å; T83-L161 PolarHBondContact N-O 3.45Å; T83-L161 VanDerWaalsContact N-O 3.1Å; T83-L161 PolarHBondContact OG1-O 3.38Å; L157-L161 HydrophobicContact CD1-CD1 3.42Å; L157-L161 VanDerWaalsContact CD1-CD1 3.42Å; L157-L161 HydrophobicContact CD1-CG 4.03Å; L157-L161 HydrophobicContact CG-CD1 4.17Å; L157-L161 WeakPolarHBondContact O-CB 3.03Å; L157-L161 PolarHBondContact O-N 2.81Å; L157-L161 VanDerWaalsContact O-N 3.08Å; V159-L161 VanDerWaalsContact C-N 3.34Å; V159-L161 PolarHBondContact O-N 2.95Å; L161-M379 HydrophobicContact CD1-CB 3.93Å; L161-M379 HydrophobicContact CD1-CE 3.86Å; L161-M380 HydrophobicContact CD1-SD 4.3Å; L161-M380 HydrophobicContact CD2-SD 4.05Å; L161-M380 HydrophobicContact CG-SD 4.18Å; L161-Q383 HydrophobicContact CD2-CG 3.74Å
162G94.5Very high91.6Very high25 Ų2549 Ų4926%0.25827%0.267SS..THydrogen-bonded Turntrans58.151.8-169.500000110.9V82 T83 K158 N164V82-G162 WeakPolarHBondContact CA-O 3.34Å; V82-G162 WeakPolarHBondContact CG2-O 3.45Å; T83-G162 PolarHBondContact N-O 2.82Å; K158-G162 VanDerWaalsContact O-CA 3.31Å; K158-G162 WeakPolarHBondContact O-CA 3.42Å; K158-G162 PolarHBondContact O-N 2.99Å; G162-N164 PolarHBondContact O-N 3.09Å
163L94.3Very high91.6Very high20 Ų2046.4 Ų46.411%0.10526%0.255CS..EExtended strand (participates in β ladder)trans-67.4132.8-167-16473.6000112.4T83 L85 A151 F152 K158 M379T83-L163 HydrophobicContact CG2-CD1 4.21Å; T83-L163 CarbonylContact O-C 3.48Å; T83-L163 WeakPolarHBondContact O-CA 3.42Å; L85-L163 HydrophobicContact CB-CD1 3.81Å; L85-L163 HydrophobicContact CD2-CD1 4.37Å; A151-L163 HydrophobicContact CB-CD2 3.75Å; A151-L163 WeakPolarHBondContact O-CD2 3.36Å; F152-L163 HydrophobicContact CD1-CD2 4.44Å; F152-L163 HydrophobicContact CD2-CD2 4.36Å; F152-L163 HydrophobicContact CE1-CD2 4.32Å; F152-L163 HydrophobicContact CE1-CG 4.3Å; F152-L163 HydrophobicContact CE2-CD2 4.21Å; F152-L163 HydrophobicContact CE2-CG 4.5Å; F152-L163 HydrophobicContact CG-CD2 4.44Å; F152-L163 HydrophobicContact CZ-CD2 4.17Å; F152-L163 HydrophobicContact CZ-CG 4.08Å; K158-L163 HydrophobicContact CB-CB 4.33Å; K158-L163 HydrophobicContact CG-CB 4.1Å; K158-L163 HydrophobicContact CG-CD2 4.07Å; K158-L163 PolarHBondContact O-N 3.03Å; L163-M379 HydrophobicContact CD1-CE 3.72Å
164N93.1Very high91.6Very high44 Ų4440.2 Ų40.224%0.23522%0.222CC..EExtended strand (participates in β ladder)trans-142.6166.6173.8-161.5-4000109.8V82 T83 I84 L85 F152 G162V82-N164 HydrophobicContact CG2-CB 3.72Å; T83-N164 PolarHBondContact O-N 2.88Å; I84-N164 CarbonylContact C-O 3.57Å; I84-N164 WeakPolarHBondContact CA-O 3.29Å; L85-N164 PolarHBondContact N-O 3.08Å; F152-N164 VanDerWaalsContact CZ-C 3.47Å; G162-N164 PolarHBondContact O-N 3.09Å
165S89.8Confident91.7Very high7 Ų739.7 Ų39.75%0.04922%0.219CC..  trans-129.8141.7179.8-176.10000111.3M69 L85 N167 N170M69-S165 WeakPolarHBondContact CE-O 3.39Å; L85-S165 WeakPolarHBondContact O-CA 3.4Å; L85-S165 WeakPolarHBondContact O-CB 3.29Å; L85-S165 PolarHBondContact O-OG 2.79Å; S165-N167 PolarHBondContact OG-N 3.03Å; S165-N167 PolarHBondContact OG-OD1 3.4Å; S165-N170 WeakPolarHBondContact O-CB 3.41Å; S165-N170 PolarHBondContact O-ND2 2.93Å
166A88.7Confident91.8Very high0 Ų034.3 Ų34.30%019%0.194CC..  trans-104.813.317400000113.6M69 I84 T86 V96 F100 R173M69-A166 HydrophobicContact CE-CB 3.75Å; M69-A166 VanDerWaalsContact SD-CA 3.52Å; M69-A166 HydrophobicContact SD-CB 3.5Å; M69-A166 VanDerWaalsContact SD-CB 3.5Å; I84-A166 HydrophobicContact CG2-CB 3.59Å; T86-A166 PolarHBondContact OG1-N 2.8Å; V96-A166 HydrophobicContact CB-CB 4.26Å; V96-A166 HydrophobicContact CG1-CB 3.66Å; V96-A166 HydrophobicContact CG2-CB 3.49Å; V96-A166 VanDerWaalsContact CG2-CB 3.49Å; F100-A166 HydrophobicContact CE2-CB 4.37Å; A166-R173 PolarHBondContact O-NH1 3.2Å
167N83.2Confident91.9Very high4 Ų427.8 Ų27.82%0.02116%0.164CC..SBendtrans-63.7166.2165.1-74.280.7000110.8T86 A87 S165 I169 N170T86-N167 VanDerWaalsContact CA-OD1 3.26Å; T86-N167 WeakPolarHBondContact CA-OD1 3.36Å; T86-N167 WeakPolarHBondContact CG2-OD1 3.39Å; A87-N167 PolarHBondContact N-OD1 2.96Å; A87-N167 PolarHBondContact O-ND2 3.41Å; S165-N167 PolarHBondContact OG-N 3.03Å; S165-N167 PolarHBondContact OG-OD1 3.4Å; N167-I169 HydrophobicContact CB-CD1 4.38Å; N167-I169 HydrophobicContact CB-CG1 4.3Å; N167-I169 PolarHBondContact O-N 2.99Å; N167-N170 WeakPolarHBondContact O-CB 3.48Å; N167-N170 PolarHBondContact O-N 2.88Å
168S72.1Confident92Very high13 Ų1327.8 Ų27.89%0.09116%0.164CC..THydrogen-bonded Turntrans-59.6-5.717451.40000114.4N170 N263 R266S168-N170 PolarHBondContact O-N 2.98Å; S168-N263 PolarHBondContact OG-ND2 2.93Å; S168-R266 PolarHBondContact O-NH1 3.04Å
169I74.5Confident92.1Very high64 Ų6425.2 Ų25.233%0.32815%0.152SC..THydrogen-bonded Turntrans-57.7-37.5166.9-59.1171.1000109.9N167 I171 N262 R266N167-I169 HydrophobicContact CB-CD1 4.38Å; N167-I169 HydrophobicContact CB-CG1 4.3Å; N167-I169 PolarHBondContact O-N 2.99Å; I169-I171 PolarHBondContact O-N 3.41Å; I169-N262 WeakPolarHBondContact CG1-ND2 3.09Å; I169-R266 PolarHBondContact O-NH2 2.81Å
170N87.8Confident92.3Very high32 Ų3220 Ų2017%0.17112%0.121CC..SBendtrans-67.4129.8177-163.1-59.1000111.1M69 S165 N167 S168 S172 R173 L174M69-N170 WeakPolarHBondContact CE-ND2 3.41Å; M69-N170 HydrophobicContact SD-CB 4.18Å; S165-N170 WeakPolarHBondContact O-CB 3.41Å; S165-N170 PolarHBondContact O-ND2 2.93Å; N167-N170 WeakPolarHBondContact O-CB 3.48Å; N167-N170 PolarHBondContact O-N 2.88Å; S168-N170 PolarHBondContact O-N 2.98Å; N170-S172 VanDerWaalsContact C-N 3.28Å; N170-S172 PolarHBondContact O-N 2.76Å; N170-S172 WeakPolarHBondContact OD1-CB 3.35Å; N170-S172 PolarHBondContact OD1-N 2.91Å; N170-S172 PolarHBondContact OD1-OG 2.64Å; N170-R173 HydrophobicContact CB-CG 4.34Å; N170-R173 WeakPolarHBondContact O-CB 3.41Å; N170-R173 PolarHBondContact O-N 3.22Å; N170-L174 PolarHBondContact O-N 3.18Å
171I94Very high92.4Very high97 Ų9717.5 Ų17.550%0.49710%0.099SC..Hα-helixtrans-62.8-34.1-177.9-172.256.9000112.4I169 R173 L174 L175I169-I171 PolarHBondContact O-N 3.41Å; I171-R173 VanDerWaalsContact C-N 3.31Å; I171-R173 PolarHBondContact O-N 3.24Å; I171-L174 HydrophobicContact CD1-CD2 4.21Å; I171-L174 PolarHBondContact O-N 3.34Å; I171-L174 VanDerWaalsContact O-N 3.15Å; I171-L175 HydrophobicContact CD1-CD1 4.33Å; I171-L175 HydrophobicContact CD1-CD2 4.1Å; I171-L175 HydrophobicContact CD1-CG 3.92Å; I171-L175 HydrophobicContact CG1-CD1 3.93Å; I171-L175 HydrophobicContact CG1-CG 3.97Å; I171-L175 WeakPolarHBondContact O-CG 3.2Å; I171-L175 PolarHBondContact O-N 3.11Å
172S95.1Very high92.6Very high13 Ų1317.6 Ų17.69%0.09110%0.099CC..Hα-helixtrans-60.9-39.2178.962.90000112.4M69 N170 A176M69-S172 VanDerWaalsContact CB-OG 3.26Å; M69-S172 WeakPolarHBondContact CB-OG 3.49Å; M69-S172 WeakPolarHBondContact CG-OG 3.28Å; N170-S172 VanDerWaalsContact C-N 3.28Å; N170-S172 PolarHBondContact O-N 2.76Å; N170-S172 WeakPolarHBondContact OD1-CB 3.35Å; N170-S172 PolarHBondContact OD1-N 2.91Å; N170-S172 PolarHBondContact OD1-OG 2.64Å; S172-A176 WeakPolarHBondContact O-CB 3.38Å; S172-A176 PolarHBondContact O-N 2.91Å; S172-A176 VanDerWaalsContact O-N 3.07Å
173R93.5Very high92.8Very high5 Ų517.6 Ų17.62%0.0199%0.093CC..Hα-helixtrans-60.2-48.3174.1-76.1-66.8-52.7-88.1-1.2111.4G65 M69 A166 N170 I171 Q177G65-R173 WeakPolarHBondContact O-CD 3.31Å; M69-R173 HydrophobicContact SD-CG 4.31Å; A166-R173 PolarHBondContact O-NH1 3.2Å; N170-R173 HydrophobicContact CB-CG 4.34Å; N170-R173 WeakPolarHBondContact O-CB 3.41Å; N170-R173 PolarHBondContact O-N 3.22Å; I171-R173 VanDerWaalsContact C-N 3.31Å; I171-R173 PolarHBondContact O-N 3.24Å; R173-Q177 WeakPolarHBondContact O-CG 3.39Å; R173-Q177 PolarHBondContact O-N 2.87Å
174L95.2Very high93Very high7 Ų716.9 Ų16.94%0.0379%0.089CC..Hα-helixtrans-64.9-46-178178.762.3000111.5N170 I171 Q177 G206 T209 A210 L213N170-L174 PolarHBondContact O-N 3.18Å; I171-L174 HydrophobicContact CD1-CD2 4.21Å; I171-L174 PolarHBondContact O-N 3.34Å; I171-L174 VanDerWaalsContact O-N 3.15Å; L174-Q177 PolarHBondContact O-N 2.76Å; L174-G206 WeakPolarHBondContact CD1-O 3.26Å; L174-T209 HydrophobicContact CD1-CG2 3.72Å; L174-T209 HydrophobicContact CD2-CG2 4.2Å; L174-A210 HydrophobicContact CD1-CB 4.16Å; L174-L213 HydrophobicContact CD1-CD1 4.25Å; L174-L213 HydrophobicContact CD2-CD1 3.92Å; L174-L213 HydrophobicContact CG-CD1 3.93Å
175L97.8Very high93.2Very high14 Ų1414.9 Ų14.97%0.0738%0.079CC..Hα-helixtrans-68.7-40.7-177.1-64.1-175.2000112.6L14 F17 I171 Q177 I178L14-L175 HydrophobicContact CD2-CB 3.66Å; L14-L175 WeakPolarHBondContact CD2-O 3.23Å; F17-L175 HydrophobicContact CB-CD1 3.8Å; F17-L175 HydrophobicContact CB-CD2 4.29Å; F17-L175 HydrophobicContact CD1-CD2 3.83Å; F17-L175 HydrophobicContact CD2-CD2 4.02Å; F17-L175 HydrophobicContact CE1-CD2 4.1Å; F17-L175 HydrophobicContact CE2-CD2 4.27Å; F17-L175 HydrophobicContact CG-CD1 4.21Å; F17-L175 HydrophobicContact CG-CD2 3.79Å; F17-L175 HydrophobicContact CZ-CD2 4.31Å; I171-L175 HydrophobicContact CD1-CD1 4.33Å; I171-L175 HydrophobicContact CD1-CD2 4.1Å; I171-L175 HydrophobicContact CD1-CG 3.92Å; I171-L175 HydrophobicContact CG1-CD1 3.93Å; I171-L175 HydrophobicContact CG1-CG 3.97Å; I171-L175 WeakPolarHBondContact O-CG 3.2Å; I171-L175 PolarHBondContact O-N 3.11Å; L175-Q177 PolarHBondContact O-N 2.79Å; L175-I178 HydrophobicContact CD2-CD1 3.76Å; L175-I178 VanDerWaalsContact O-CB 3.29Å; L175-I178 WeakPolarHBondContact O-CB 3.31Å; L175-I178 WeakPolarHBondContact O-CG1 3.34Å; L175-I178 PolarHBondContact O-N 2.97Å; L175-I178 VanDerWaalsContact O-N 3.09Å
176A98.4Very high93.6Very high0 Ų015.5 Ų15.50%08%0.084CC..Hα-helixtrans-56.6-38.8176.800000112.2F35 F68 S172 I178 C179F35-A176 HydrophobicContact CE1-CB 4.49Å; F35-A176 HydrophobicContact CZ-CB 4.2Å; F68-A176 HydrophobicContact CB-CB 3.85Å; F68-A176 HydrophobicContact CD1-CB 3.72Å; F68-A176 HydrophobicContact CG-CB 3.98Å; S172-A176 WeakPolarHBondContact O-CB 3.38Å; S172-A176 PolarHBondContact O-N 2.91Å; S172-A176 VanDerWaalsContact O-N 3.07Å; A176-I178 PolarHBondContact O-N 2.77Å; A176-C179 VanDerWaalsContact O-CB 3.28Å; A176-C179 WeakPolarHBondContact O-CB 3.44Å; A176-C179 PolarHBondContact O-N 3.16Å; A176-C179 VanDerWaalsContact O-N 3.16Å; A176-C179 PolarHBondContact O-SG 3.49Å; A176-C179 VanDerWaalsContact O-SG 3.39Å
177Q98.5Very high94.1Very high3 Ų319 Ų191%0.01410%0.1CC..Hα-helixtrans-67.5-18.9-178.7-74.5175.4-160.200113.6R173 L174 L175 C179 Y180 Y181 G206 A210R173-Q177 WeakPolarHBondContact O-CG 3.39Å; R173-Q177 PolarHBondContact O-N 2.87Å; L174-Q177 PolarHBondContact O-N 2.76Å; L175-Q177 PolarHBondContact O-N 2.79Å; Q177-C179 PolarHBondContact O-N 3.47Å; Q177-Y180 HydrophobicContact CB-CE1 3.73Å; Q177-Y180 WeakPolarHBondContact CB-OH 3.31Å; Q177-Y180 HydrophobicContact CG-CE1 3.8Å; Q177-Y180 WeakPolarHBondContact CG-OH 3.35Å; Q177-Y180 VanDerWaalsContact O-CE1 3.26Å; Q177-Y180 WeakPolarHBondContact O-CE1 3.35Å; Q177-Y180 VanDerWaalsContact O-CE2 3.3Å; Q177-Y180 WeakPolarHBondContact O-CE2 3.44Å; Q177-Y181 WeakPolarHBondContact O-CD2 3.11Å; Q177-G206 PolarHBondContact NE2-O 2.85Å; Q177-A210 HydrophobicContact CB-CB 3.49Å; Q177-A210 VanDerWaalsContact CB-CB 3.49Å
178I98.7Very high94.8Very high0 Ų019.1 Ų19.10%010%0.101CC..Hα-helixtrans-63.2-32.3174.9-58.3174.8000110.3I13 F17 L175 A176 Y180 Y181 F182 A210 L213 A214 L217I13-I178 HydrophobicContact CG2-CB 4.29Å; I13-I178 HydrophobicContact CG2-CG2 3.72Å; F17-I178 HydrophobicContact CE2-CD1 3.66Å; F17-I178 HydrophobicContact CZ-CD1 3.7Å; L175-I178 HydrophobicContact CD2-CD1 3.76Å; L175-I178 VanDerWaalsContact O-CB 3.29Å; L175-I178 WeakPolarHBondContact O-CB 3.31Å; L175-I178 WeakPolarHBondContact O-CG1 3.34Å; L175-I178 PolarHBondContact O-N 2.97Å; L175-I178 VanDerWaalsContact O-N 3.09Å; A176-I178 PolarHBondContact O-N 2.77Å; I178-Y180 PolarHBondContact O-N 3.07Å; I178-Y181 PolarHBondContact O-N 3.08Å; I178-F182 HydrophobicContact CG2-CD2 4.37Å; I178-F182 HydrophobicContact CG2-CE2 4.18Å; I178-A210 HydrophobicContact CG1-CB 4.07Å; I178-L213 HydrophobicContact CD1-CB 3.7Å; I178-L213 HydrophobicContact CD1-CD1 3.94Å; I178-L213 HydrophobicContact CD1-CG 4.44Å; I178-L213 HydrophobicContact CG1-CB 4Å; I178-L213 HydrophobicContact CG1-CD1 4.46Å; I178-A214 HydrophobicContact CG2-CB 3.73Å; I178-L217 HydrophobicContact CG2-CD1 3.86Å
179C98.8Very high95.9Very high1 Ų122.5 Ų22.51%0.00712%0.123CC..Hα-helixtrans-65.4-41.4-166.8-61.50000113.1F6 S10 F35 A176 Q177 Y181 F182 E183F6-C179 HydrophobicContact CE2-CB 4.2Å; S10-C179 WeakPolarHBondContact OG-CB 3.41Å; F35-C179 HydrophobicContact CE2-CB 3.79Å; F35-C179 HydrophobicContact CZ-CB 4.3Å; A176-C179 VanDerWaalsContact O-CB 3.28Å; A176-C179 WeakPolarHBondContact O-CB 3.44Å; A176-C179 PolarHBondContact O-N 3.16Å; A176-C179 VanDerWaalsContact O-N 3.16Å; A176-C179 PolarHBondContact O-SG 3.49Å; A176-C179 VanDerWaalsContact O-SG 3.39Å; Q177-C179 PolarHBondContact O-N 3.47Å; C179-Y181 VanDerWaalsContact C-N 3.27Å; C179-Y181 PolarHBondContact O-N 3Å; C179-F182 PolarHBondContact O-N 3.36Å; C179-F182 VanDerWaalsContact O-N 3.17Å; C179-E183 PolarHBondContact O-N 3.1Å; C179-E183 VanDerWaalsContact O-N 3.09Å
180Y98.8Very high96.7Very high0 Ų026.5 Ų26.50%014%0.14CC..Hα-helixtrans-71.6-20.1-177.754-113.5000113.4L51 L53 F64 Q177 I178 E183 A184 D207 L329L51-Y180 HydrophobicContact CD2-CD2 3.93Å; L53-Y180 HydrophobicContact CD1-CD1 4.43Å; L53-Y180 HydrophobicContact CD1-CD2 3.88Å; L53-Y180 HydrophobicContact CD1-CE1 4.27Å; L53-Y180 HydrophobicContact CD1-CE2 3.72Å; L53-Y180 HydrophobicContact CD1-CG 4.25Å; L53-Y180 HydrophobicContact CD2-CD1 4.09Å; L53-Y180 HydrophobicContact CD2-CD2 3.95Å; L53-Y180 HydrophobicContact CD2-CG 3.68Å; F64-Y180 HydrophobicContact CD2-CD1 4.01Å; F64-Y180 HydrophobicContact CD2-CE1 4.4Å; F64-Y180 HydrophobicContact CE2-CD1 4.43Å; F64-Y180 HydrophobicContact CG-CD1 4.18Å; Q177-Y180 HydrophobicContact CB-CE1 3.73Å; Q177-Y180 WeakPolarHBondContact CB-OH 3.31Å; Q177-Y180 HydrophobicContact CG-CE1 3.8Å; Q177-Y180 WeakPolarHBondContact CG-OH 3.35Å; Q177-Y180 VanDerWaalsContact O-CE1 3.26Å; Q177-Y180 WeakPolarHBondContact O-CE1 3.35Å; Q177-Y180 VanDerWaalsContact O-CE2 3.3Å; Q177-Y180 WeakPolarHBondContact O-CE2 3.44Å; I178-Y180 PolarHBondContact O-N 3.07Å; Y180-E183 PolarHBondContact O-N 3.46Å; Y180-A184 WeakPolarHBondContact O-CB 3.28Å; Y180-A184 PolarHBondContact O-N 3.35Å; Y180-D207 PolarHBondContact OH-OD1 3.06Å; Y180-D207 PolarHBondContact OH-OD2 2.88Å; Y180-L329 HydrophobicContact CE2-CD1 4.38Å
181Y98.8Very high96.9Very high5 Ų533.1 Ų33.12%0.0217%0.17CC..Hα-helixtrans-66.1-41.2170.3-71.3-87.2000111.2Q177 I178 C179 E183 A184 V185 V198 V200 D207 A210 A214 F224 L329Q177-Y181 WeakPolarHBondContact O-CD2 3.11Å; I178-Y181 PolarHBondContact O-N 3.08Å; C179-Y181 VanDerWaalsContact C-N 3.27Å; C179-Y181 PolarHBondContact O-N 3Å; Y181-E183 VanDerWaalsContact C-N 3.32Å; Y181-A184 PolarHBondContact O-N 2.61Å; Y181-V185 WeakPolarHBondContact O-CG2 3.07Å; Y181-V185 PolarHBondContact O-N 2.82Å; Y181-V198 HydrophobicContact CD1-CG1 4.46Å; Y181-V198 HydrophobicContact CE1-CG1 3.98Å; Y181-V200 HydrophobicContact CE1-CG2 4.42Å; Y181-V200 WeakPolarHBondContact OH-CG2 3.36Å; Y181-D207 PolarHBondContact OH-O 3.36Å; Y181-D207 PolarHBondContact OH-OD1 3.39Å; Y181-A210 HydrophobicContact CE2-CB 4.19Å; Y181-A214 HydrophobicContact CG-CB 4.33Å; Y181-F224 HydrophobicContact CD1-CE1 4.17Å; Y181-F224 HydrophobicContact CD1-CZ 4.36Å; Y181-F224 AromaticContact CE1-CE1 3.71Å; Y181-F224 HydrophobicContact CE1-CE1 3.71Å; Y181-F224 HydrophobicContact CE1-CZ 4.28Å; Y181-L329 HydrophobicContact CE1-CD1 4.3Å; Y181-L329 WeakPolarHBondContact OH-CD1 3.39Å
182F98.7Very high96.9Very high16 Ų1628.9 Ų28.97%0.0715%0.15CC..Hα-helixtrans-67.5-35.2173.6-81.9-101.3000112L2 I13 I178 C179 A186 A214 L217 L219L2-F182 HydrophobicContact CD2-CD1 4Å; L2-F182 WeakPolarHBondContact CD2-O 3.17Å; I13-F182 HydrophobicContact CD1-CB 3.61Å; I13-F182 HydrophobicContact CD1-CD1 3.96Å; I13-F182 HydrophobicContact CD1-CD2 3.54Å; I13-F182 HydrophobicContact CD1-CE2 4.16Å; I13-F182 HydrophobicContact CD1-CG 3.42Å; I13-F182 VanDerWaalsContact CD1-CG 3.42Å; I13-F182 HydrophobicContact CG1-CD2 4.27Å; I13-F182 HydrophobicContact CG1-CE2 4.41Å; I13-F182 HydrophobicContact CG1-CG 4.33Å; I178-F182 HydrophobicContact CG2-CD2 4.37Å; I178-F182 HydrophobicContact CG2-CE2 4.18Å; C179-F182 PolarHBondContact O-N 3.36Å; C179-F182 VanDerWaalsContact O-N 3.17Å; F182-A186 WeakPolarHBondContact O-CB 3.37Å; F182-A186 PolarHBondContact O-N 2.88Å; F182-A214 HydrophobicContact CD2-CB 4.09Å; F182-A214 HydrophobicContact CE2-CB 3.77Å; F182-L217 HydrophobicContact CE2-CB 4.48Å; F182-L217 HydrophobicContact CE2-CD1 4.19Å; F182-L217 HydrophobicContact CZ-CB 4.09Å; F182-L217 HydrophobicContact CZ-CD1 4.44Å; F182-L219 HydrophobicContact CB-CD1 4.44Å; F182-L219 HydrophobicContact CD1-CD1 3.56Å; F182-L219 HydrophobicContact CD2-CD1 4.2Å; F182-L219 HydrophobicContact CD2-CD2 4.1Å; F182-L219 HydrophobicContact CE1-CB 4.21Å; F182-L219 HydrophobicContact CE1-CD1 3.72Å; F182-L219 HydrophobicContact CE2-CB 4.04Å; F182-L219 HydrophobicContact CE2-CD1 4.35Å; F182-L219 HydrophobicContact CE2-CD2 4.3Å; F182-L219 HydrophobicContact CE2-CG 4.48Å; F182-L219 HydrophobicContact CG-CD1 3.81Å; F182-L219 HydrophobicContact CG-CD2 4.39Å; F182-L219 HydrophobicContact CZ-CB 3.82Å; F182-L219 HydrophobicContact CZ-CD1 4.12Å; F182-L219 HydrophobicContact CZ-CG 4.46Å
183E98.7Very high96.8Very high25 Ų2531.4 Ų31.412%0.11716%0.157CC..Hα-helixtrans-62.7-47.6174.4-177.247.3-137.100111.9F6 R9 A39 C179 Y180 Y181 V185 A186 Q187F6-E183 VanDerWaalsContact CB-OE2 3.31Å; F6-E183 WeakPolarHBondContact CB-OE2 3.43Å; F6-E183 HydrophobicContact CD2-CB 3.61Å; F6-E183 HydrophobicContact CD2-CG 3.71Å; F6-E183 WeakPolarHBondContact CD2-OE2 3.2Å; F6-E183 HydrophobicContact CE2-CB 3.68Å; F6-E183 HydrophobicContact CE2-CG 4.02Å; F6-E183 HydrophobicContact CG-CB 4.46Å; F6-E183 HydrophobicContact CG-CG 4.07Å; R9-E183 IonicContact CZ-OE2 3.67Å; R9-E183 IonicContact NH1-OE2 3.48Å; R9-E183 PolarHBondContact NH1-OE2 3.48Å; R9-E183 IonicContact NH2-OE2 3.89Å; R9-E183 PolarHBondContact NH2-OE2 3.23Å; A39-E183 HydrophobicContact CB-CG 4.11Å; C179-E183 PolarHBondContact O-N 3.1Å; C179-E183 VanDerWaalsContact O-N 3.09Å; Y180-E183 PolarHBondContact O-N 3.46Å; Y181-E183 VanDerWaalsContact C-N 3.32Å; E183-V185 PolarHBondContact O-N 2.82Å; E183-A186 WeakPolarHBondContact O-CB 3.43Å; E183-A186 PolarHBondContact O-N 3.39Å; E183-A186 VanDerWaalsContact O-N 3.14Å; E183-Q187 PolarHBondContact O-N 3.05Å; E183-Q187 PolarHBondContact O-NE2 3.22Å; E183-Q187 PolarHBondContact OE1-NE2 3.45Å
184A98.6Very high96.7Very high4 Ų436.2 Ų36.23%0.03318%0.184CC..Hα-helixtrans-56.5-51.2176.200000111.8V41 L51 Y180 Y181 A186 Q187 L188 L327V41-A184 HydrophobicContact CG2-CB 4.03Å; L51-A184 HydrophobicContact CD1-CB 3.73Å; L51-A184 HydrophobicContact CD2-CB 3.71Å; L51-A184 HydrophobicContact CG-CB 4.19Å; Y180-A184 WeakPolarHBondContact O-CB 3.28Å; Y180-A184 PolarHBondContact O-N 3.35Å; Y181-A184 PolarHBondContact O-N 2.61Å; A184-A186 PolarHBondContact O-N 3.16Å; A184-Q187 PolarHBondContact O-N 3.47Å; A184-Q187 VanDerWaalsContact O-N 3.08Å; A184-L188 PolarHBondContact O-N 2.87Å; A184-L327 HydrophobicContact CB-CD1 3.88Å
185V98.3Very high96.8Very high2 Ų239.5 Ų39.51%0.01220%0.198CC..Hα-helixtrans-62.7-32.7179.81770000111.9L2 Y181 E183 Q187 L188 R193 L196 L219 P220L2-V185 HydrophobicContact CD1-CG1 3.76Å; L2-V185 HydrophobicContact CD2-CB 4.38Å; L2-V185 HydrophobicContact CD2-CG1 4.24Å; Y181-V185 WeakPolarHBondContact O-CG2 3.07Å; Y181-V185 PolarHBondContact O-N 2.82Å; E183-V185 PolarHBondContact O-N 2.82Å; V185-Q187 VanDerWaalsContact C-N 3.25Å; V185-Q187 PolarHBondContact O-N 3.42Å; V185-L188 PolarHBondContact O-N 2.55Å; V185-R193 HydrophobicContact CG1-CB 4.43Å; V185-R193 HydrophobicContact CG1-CG 3.83Å; V185-R193 PolarHBondContact O-NE 3.05Å; V185-L196 HydrophobicContact CG2-CD2 3.58Å; V185-L219 HydrophobicContact CB-CD1 3.86Å; V185-L219 HydrophobicContact CG1-CD1 3.96Å; V185-L219 HydrophobicContact CG2-CD1 3.84Å; V185-L219 HydrophobicContact CG2-CD2 3.88Å; V185-L219 HydrophobicContact CG2-CG 3.96Å; V185-P220 HydrophobicContact CG1-CG 4.35Å
186A98.1Very high96.8Very high20 Ų2038.9 Ų38.917%0.16520%0.195CC..Hα-helixtrans-64.1-30.9177.100000112.6L2 F182 E183 A184 R193L2-A186 HydrophobicContact CB-CB 4.28Å; L2-A186 HydrophobicContact CD2-CB 4.24Å; L2-A186 WeakPolarHBondContact O-CB 3.45Å; F182-A186 WeakPolarHBondContact O-CB 3.37Å; F182-A186 PolarHBondContact O-N 2.88Å; E183-A186 WeakPolarHBondContact O-CB 3.43Å; E183-A186 PolarHBondContact O-N 3.39Å; E183-A186 VanDerWaalsContact O-N 3.14Å; A184-A186 PolarHBondContact O-N 3.16Å; A186-R193 PolarHBondContact O-NH2 3.43Å
187Q98.2Very high96.8Very high73 Ų7338.9 Ų38.934%0.34120%0.195SC..Hα-helixtrans-80-23.1178.9-64.917354.900113.3A39 V41 E183 A184 V185A39-Q187 PolarHBondContact O-NE2 3.32Å; V41-Q187 HydrophobicContact CB-CB 4.43Å; V41-Q187 HydrophobicContact CG2-CB 4.21Å; E183-Q187 PolarHBondContact O-N 3.05Å; E183-Q187 PolarHBondContact O-NE2 3.22Å; E183-Q187 PolarHBondContact OE1-NE2 3.45Å; A184-Q187 PolarHBondContact O-N 3.47Å; A184-Q187 VanDerWaalsContact O-N 3.08Å; V185-Q187 VanDerWaalsContact C-N 3.25Å; V185-Q187 PolarHBondContact O-N 3.42Å
188L97.5Very high96.9Very high7 Ų738.9 Ų38.94%0.03720%0.196CC..SBendtrans-77.7147.6-179.2-60.5-174000113.1V41 A184 V185 A192 R193 L196 Y325 L327V41-L188 HydrophobicContact CG1-CD2 4.11Å; A184-L188 PolarHBondContact O-N 2.87Å; V185-L188 PolarHBondContact O-N 2.55Å; L188-A192 HydrophobicContact CB-CB 4.24Å; L188-A192 HydrophobicContact CD1-CB 4.42Å; L188-R193 HydrophobicContact CB-CG 4.1Å; L188-R193 PolarHBondContact O-NE 3.3Å; L188-R193 PolarHBondContact O-NH2 3.16Å; L188-L196 HydrophobicContact CD1-CD1 3.79Å; L188-L196 HydrophobicContact CD1-CD2 4.18Å; L188-Y325 HydrophobicContact CD1-CD1 3.89Å; L188-Y325 HydrophobicContact CD1-CE1 3.92Å; L188-Y325 HydrophobicContact CD2-CD1 4.25Å; L188-Y325 HydrophobicContact CD2-CE1 3.49Å; L188-Y325 VanDerWaalsContact CD2-CE1 3.49Å; L188-Y325 HydrophobicContact CG-CE1 4.35Å; L188-L327 HydrophobicContact CD1-CD1 3.89Å; L188-L327 HydrophobicContact CD1-CG 4.3Å
189P95Very high96.9Very high85 Ų8538.9 Ų38.955%0.55220%0.196SC*.  trans-66.3156.6170.429.3-34.8000111.5E191 A192 R193P189-E191 PolarHBondContact O-N 3.03Å; P189-A192 HydrophobicContact CG-CB 3.95Å; P189-A192 PolarHBondContact O-N 2.64Å; P189-A192 VanDerWaalsContact O-N 3.13Å; P189-R193 WeakPolarHBondContact O-CG 3.31Å; P189-R193 PolarHBondContact O-N 2.95Å; P189-R193 VanDerWaalsContact O-N 3.13Å
190Q92.4Very high96.9Very high147 Ų14738.9 Ų38.969%0.68720%0.195SC*.Hα-helixtrans-56.2-37.1-174.2-174.217513.600113.5R193 N194Q190-R193 PolarHBondContact O-N 3.23Å; Q190-N194 PolarHBondContact O-N 3.26Å
191E91.6Very high96.9Very high171 Ų17139.3 Ų39.380%0.79920%0.198SC*.Hα-helixtrans-61.2-48.9178.4-64.6177.2-174.800111.4P189 R193 N194P189-E191 PolarHBondContact O-N 3.03Å; E191-R193 PolarHBondContact O-N 3Å; E191-N194 PolarHBondContact O-N 3.17Å
192A94.4Very high96.9Very high9 Ų939.2 Ų39.27%0.07420%0.198CC..Hα-helixtrans-62.5-39.4176.900000112.3L188 P189 N194 Q195 L196 Y325L188-A192 HydrophobicContact CB-CB 4.24Å; L188-A192 HydrophobicContact CD1-CB 4.42Å; P189-A192 HydrophobicContact CG-CB 3.95Å; P189-A192 PolarHBondContact O-N 2.64Å; P189-A192 VanDerWaalsContact O-N 3.13Å; A192-N194 PolarHBondContact O-N 3.09Å; A192-Q195 CarbonylContact O-C 3.54Å; A192-Q195 PolarHBondContact O-N 3.04Å; A192-Q195 VanDerWaalsContact O-N 3.11Å; A192-L196 PolarHBondContact O-N 3.4Å; A192-L196 VanDerWaalsContact O-N 3.13Å; A192-Y325 HydrophobicContact CB-CD1 3.94Å; A192-Y325 HydrophobicContact CB-CD2 4.13Å; A192-Y325 HydrophobicContact CB-CG 3.66Å
193R92.8Very high96.6Very high66 Ų6638.9 Ų38.925%0.24920%0.199CC..Hα-helixtrans-57.7-34179.1-64.5-178.5-169.8156.85.1113.1V185 A186 L188 P189 Q190 E191 Q195V185-R193 HydrophobicContact CG1-CB 4.43Å; V185-R193 HydrophobicContact CG1-CG 3.83Å; V185-R193 PolarHBondContact O-NE 3.05Å; A186-R193 PolarHBondContact O-NH2 3.43Å; L188-R193 HydrophobicContact CB-CG 4.1Å; L188-R193 PolarHBondContact O-NE 3.3Å; L188-R193 PolarHBondContact O-NH2 3.16Å; P189-R193 WeakPolarHBondContact O-CG 3.31Å; P189-R193 PolarHBondContact O-N 2.95Å; P189-R193 VanDerWaalsContact O-N 3.13Å; Q190-R193 PolarHBondContact O-N 3.23Å; E191-R193 PolarHBondContact O-N 3Å; R193-Q195 VanDerWaalsContact C-N 3.32Å
194N91.4Very high96.4Very high106 Ų10638.8 Ų38.857%0.56720%0.2SC*.Hα-helixtrans-78-18.1-177.5-73.6-14.4000113.3Q190 E191 A192Q190-N194 PolarHBondContact O-N 3.26Å; E191-N194 PolarHBondContact O-N 3.17Å; A192-N194 PolarHBondContact O-N 3.09Å
195Q96.9Very high96.3Very high75 Ų7538.9 Ų38.935%0.3520%0.199SC..THydrogen-bonded Turntrans-125.627.9-177.4-63.8-64.8-44.300112.4A192 R193 V197 G323 Y325A192-Q195 CarbonylContact O-C 3.54Å; A192-Q195 PolarHBondContact O-N 3.04Å; A192-Q195 VanDerWaalsContact O-N 3.11Å; R193-Q195 VanDerWaalsContact C-N 3.32Å; Q195-V197 PolarHBondContact O-N 3.25Å; Q195-G323 WeakPolarHBondContact CB-O 3.43Å; Q195-G323 WeakPolarHBondContact CG-O 3.42Å; Q195-Y325 PolarHBondContact O-N 3Å
196L98.6Very high96.2Very high1 Ų139.1 Ų39.11%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-73.5124.4-173.6178.661.2000112.8V185 L188 A192 V198 V221 K222 Y325 L327V185-L196 HydrophobicContact CG2-CD2 3.58Å; L188-L196 HydrophobicContact CD1-CD1 3.79Å; L188-L196 HydrophobicContact CD1-CD2 4.18Å; A192-L196 PolarHBondContact O-N 3.4Å; A192-L196 VanDerWaalsContact O-N 3.13Å; L196-V198 HydrophobicContact CD1-CG2 4.13Å; L196-V198 HydrophobicContact CD2-CG2 3.94Å; L196-V198 HydrophobicContact CG-CG2 3.8Å; L196-V221 HydrophobicContact CD2-CG2 4.37Å; L196-K222 WeakPolarHBondContact O-CA 3.38Å; L196-K222 WeakPolarHBondContact O-CB 3.33Å; L196-K222 PolarHBondContact O-N 3.47Å; L196-Y325 CarbonylContact C-O 3.52Å; L196-Y325 WeakPolarHBondContact CA-O 3.3Å; L196-Y325 HydrophobicContact CD1-CD1 4.16Å; L196-L327 HydrophobicContact CD1-CB 4.08Å; L196-L327 HydrophobicContact CD1-CD1 3.84Å; L196-L327 HydrophobicContact CD1-CG 3.74Å; L196-L327 HydrophobicContact CD2-CD1 4.43Å
197V98.8Very high96.1Very high0 Ų038.5 Ų38.50%020%0.196CC..EExtended strand (participates in β ladder)trans-110.7129.1168.9-178.50000108.8Q195 R223 I225 L316 L320 E324 Y325 G326 L327Q195-V197 PolarHBondContact O-N 3.25Å; V197-R223 WeakPolarHBondContact CA-O 3.2Å; V197-R223 HydrophobicContact CG1-CB 4.41Å; V197-R223 HydrophobicContact CG2-CB 4.45Å; V197-I225 HydrophobicContact CG1-CD1 3.69Å; V197-I225 HydrophobicContact CG1-CG1 4.11Å; V197-L316 HydrophobicContact CB-CD1 4.2Å; V197-L316 HydrophobicContact CG1-CD1 3.8Å; V197-L320 HydrophobicContact CB-CD1 4Å; V197-L320 HydrophobicContact CG2-CD1 4.07Å; V197-E324 HydrophobicContact CG2-CB 4.03Å; V197-E324 HydrophobicContact CG2-CG 4.19Å; V197-Y325 PolarHBondContact N-O 3.36Å; V197-G326 CarbonylContact O-C 3.56Å; V197-G326 WeakPolarHBondContact O-CA 3.3Å; V197-L327 PolarHBondContact O-N 2.86Å
198V98.9Very high96.2Very high4 Ų435 Ų352%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-117.6117.8-178.1-174.40000111Y181 L196 V200 V221 R223 F224 I225 L327 L329Y181-V198 HydrophobicContact CD1-CG1 4.46Å; Y181-V198 HydrophobicContact CE1-CG1 3.98Å; L196-V198 HydrophobicContact CD1-CG2 4.13Å; L196-V198 HydrophobicContact CD2-CG2 3.94Å; L196-V198 HydrophobicContact CG-CG2 3.8Å; V198-V200 HydrophobicContact CG1-CG2 4.13Å; V198-V221 HydrophobicContact CB-CG1 4.38Å; V198-V221 HydrophobicContact CG2-CG1 3.84Å; V198-R223 PolarHBondContact N-O 3.02Å; V198-F224 HydrophobicContact CB-CD1 3.76Å; V198-F224 HydrophobicContact CB-CE1 3.67Å; V198-F224 HydrophobicContact CG1-CD1 4.14Å; V198-F224 HydrophobicContact CG1-CE1 3.87Å; V198-F224 HydrophobicContact CG2-CE1 4.28Å; V198-F224 CarbonylContact O-C 3.49Å; V198-F224 VanDerWaalsContact O-CA 3.25Å; V198-F224 WeakPolarHBondContact O-CA 3.37Å; V198-I225 PolarHBondContact O-N 3.39Å; V198-L327 CarbonylContact C-O 3.58Å; V198-L327 VanDerWaalsContact CA-O 3.32Å; V198-L327 WeakPolarHBondContact CA-O 3.49Å; V198-L327 HydrophobicContact CG2-CB 4.42Å; V198-L329 HydrophobicContact CG1-CD2 4.23Å
199S98.9Very high96.2Very high0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-98.2126.3174.4-173.30000111.1A312 L327 F328 L329S199-A312 WeakPolarHBondContact CB-O 3.46Å; S199-A312 PolarHBondContact OG-O 2.81Å; S199-L327 PolarHBondContact N-O 3.08Å; S199-F328 WeakPolarHBondContact O-CA 3.34Å; S199-L329 PolarHBondContact O-N 2.91Å
200V98.9Very high96.4Very high0 Ų030.8 Ų30.80%015%0.152CC..EExtended strand (participates in β ladder)trans-117.9115.5-173.9-176.20000109.3Y181 V198 S202 D207 L208 F224 I225 A227 L329Y181-V200 HydrophobicContact CE1-CG2 4.42Å; Y181-V200 WeakPolarHBondContact OH-CG2 3.36Å; V198-V200 HydrophobicContact CG1-CG2 4.13Å; V200-S202 PolarHBondContact O-N 3.5Å; V200-S202 VanDerWaalsContact O-N 3.16Å; V200-S202 PolarHBondContact O-OG 2.89Å; V200-D207 HydrophobicContact CG1-CB 3.84Å; V200-L208 HydrophobicContact CB-CB 4.3Å; V200-L208 HydrophobicContact CB-CD1 4.29Å; V200-L208 HydrophobicContact CG1-CB 4.14Å; V200-L208 HydrophobicContact CG2-CD1 4.02Å; V200-F224 HydrophobicContact CG2-CD1 4.19Å; V200-F224 HydrophobicContact CG2-CE1 4.47Å; V200-I225 PolarHBondContact N-O 3.27Å; V200-A227 PolarHBondContact O-N 2.73Å; V200-A227 VanDerWaalsContact O-N 3.1Å; V200-L329 HydrophobicContact CB-CD1 4.41Å; V200-L329 HydrophobicContact CG1-CD1 3.98Å; V200-L329 HydrophobicContact CG2-CD1 4.01Å; V200-L329 HydrophobicContact CG2-CG 4.35Å
201P98.7Very high96.7Very high9 Ų923.8 Ų23.86%0.05812%0.12CC..EExtended strand (participates in β ladder)trans-68.5114.2173.227.1-26.1000109A227 M256 H308 A312 T331P201-A227 CarbonylContact C-O 3.59Å; P201-A227 WeakPolarHBondContact CA-O 3.44Å; P201-M256 HydrophobicContact CB-CE 3.95Å; P201-M256 HydrophobicContact CB-SD 3.62Å; P201-H308 WeakPolarHBondContact CB-O 3.46Å; P201-A312 HydrophobicContact CB-CB 3.88Å; P201-A312 HydrophobicContact CG-CB 3.84Å; P201-T331 HydrophobicContact CG-CG2 3.51Å
202S98.4Very high97Very high3 Ų315.8 Ų15.82%0.0218%0.082CC..  trans-120.5113.1-161.3-65.10000111.2V200 A227 T228V200-S202 PolarHBondContact O-N 3.5Å; V200-S202 VanDerWaalsContact O-N 3.16Å; V200-S202 PolarHBondContact O-OG 2.89Å; S202-A227 PolarHBondContact N-O 2.98Å; S202-T228 WeakPolarHBondContact O-CG2 3.48Å
203G94.4Very high97.2Very high9 Ų916.5 Ų16.59%0.0939%0.085CC..SBendtrans-96.7-83.2164.200000110.6F205 P261G203-F205 VanDerWaalsContact C-N 3.28Å; G203-F205 WeakPolarHBondContact O-CD2 3.32Å; G203-F205 WeakPolarHBondContact O-CE2 3.3Å; G203-F205 PolarHBondContact O-N 2.97Å; G203-P261 WeakPolarHBondContact O-CB 3.31Å
204N93.7Very high97.5Very high23 Ų2313.4 Ų13.412%0.1237%0.073CC..SBendtrans-84.79.9-178.9-153.221.6000114.6Q145 G206 V258 P261 N262 N263Q145-N204 PolarHBondContact OE1-ND2 3.35Å; N204-G206 PolarHBondContact O-N 3.17Å; N204-V258 HydrophobicContact CB-CG1 4.46Å; N204-P261 WeakPolarHBondContact OD1-CA 3.32Å; N204-N262 WeakPolarHBondContact OD1-CB 3.45Å; N204-N262 PolarHBondContact OD1-N 3.49Å; N204-N263 WeakPolarHBondContact O-CB 3.43Å; N204-N263 PolarHBondContact O-N 2.72Å; N204-N263 PolarHBondContact O-ND2 3.25Å
205F96.4Very high97.8Very high7 Ų711.2 Ų11.23%0.0316%0.059CC..SBendtrans60.65.1175.1-78.2-103.9000118.5G203 D207 L208 T209 A226 T228 V234 P261 N263 W264G203-F205 VanDerWaalsContact C-N 3.28Å; G203-F205 WeakPolarHBondContact O-CD2 3.32Å; G203-F205 WeakPolarHBondContact O-CE2 3.3Å; G203-F205 PolarHBondContact O-N 2.97Å; F205-D207 VanDerWaalsContact C-N 3.32Å; F205-D207 PolarHBondContact O-N 3.18Å; F205-L208 HydrophobicContact CD1-CB 4.46Å; F205-L208 HydrophobicContact CD1-CD2 3.78Å; F205-L208 HydrophobicContact CE1-CD2 3.82Å; F205-T209 WeakPolarHBondContact O-CB 3.47Å; F205-T209 PolarHBondContact O-N 3.14Å; F205-T209 PolarHBondContact O-OG1 3.05Å; F205-A226 HydrophobicContact CE1-CB 3.88Å; F205-A226 HydrophobicContact CZ-CB 4.32Å; F205-T228 HydrophobicContact CE2-CG2 4.14Å; F205-T228 HydrophobicContact CZ-CG2 3.87Å; F205-V234 HydrophobicContact CD1-CG2 4.48Å; F205-V234 HydrophobicContact CD2-CG2 4.16Å; F205-V234 HydrophobicContact CE1-CB 3.94Å; F205-V234 HydrophobicContact CE1-CG1 3.56Å; F205-V234 HydrophobicContact CE1-CG2 3.97Å; F205-V234 HydrophobicContact CE2-CB 3.9Å; F205-V234 HydrophobicContact CE2-CG1 4.44Å; F205-V234 HydrophobicContact CE2-CG2 3.6Å; F205-V234 HydrophobicContact CZ-CB 3.37Å; F205-V234 HydrophobicContact CZ-CG1 3.5Å; F205-V234 HydrophobicContact CZ-CG2 3.51Å; F205-P261 HydrophobicContact CB-CB 4.23Å; F205-P261 HydrophobicContact CD2-CB 3.34Å; F205-P261 HydrophobicContact CD2-CG 3.81Å; F205-P261 HydrophobicContact CE2-CB 4.08Å; F205-P261 HydrophobicContact CE2-CG 4.12Å; F205-P261 HydrophobicContact CG-CB 4.08Å; F205-N263 HydrophobicContact CB-CB 4.28Å; F205-W264 AromaticContact CD1-CE3 3.67Å; F205-W264 HydrophobicContact CD1-CE3 3.67Å; F205-W264 AromaticContact CD1-CZ3 3.8Å; F205-W264 HydrophobicContact CD1-CZ3 3.8Å; F205-W264 HydrophobicContact CE1-CE3 4.01Å; F205-W264 AromaticContact CE1-CZ3 3.83Å; F205-W264 HydrophobicContact CE1-CZ3 3.83Å; F205-W264 HydrophobicContact CG-CE3 4.22Å
206G95.5Very high97.9Very high6 Ų68.6 Ų8.66%0.0625%0.048CC..Hα-helixtrans-64.7-34.4178.400000113.5L174 Q177 N204 A210 N263L174-G206 WeakPolarHBondContact CD1-O 3.26Å; Q177-G206 PolarHBondContact NE2-O 2.85Å; N204-G206 PolarHBondContact O-N 3.17Å; G206-A210 PolarHBondContact O-N 3.01Å; G206-A210 VanDerWaalsContact O-N 3.15Å; G206-N263 WeakPolarHBondContact CA-ND2 3.32Å; G206-N263 PolarHBondContact N-ND2 3.16Å
207D97.6Very high97.9Very high8 Ų811.9 Ų11.94%0.0437%0.066CC..Hα-helixtrans-67.4-53.9177.8-164.9-9.9000111.5F61 Y180 Y181 V200 F205 T209 A210 G211 L329F61-D207 HydrophobicContact CE2-CB 4.06Å; F61-D207 HydrophobicContact CZ-CB 4.35Å; Y180-D207 PolarHBondContact OH-OD1 3.06Å; Y180-D207 PolarHBondContact OH-OD2 2.88Å; Y181-D207 PolarHBondContact OH-O 3.36Å; Y181-D207 PolarHBondContact OH-OD1 3.39Å; V200-D207 HydrophobicContact CG1-CB 3.84Å; F205-D207 VanDerWaalsContact C-N 3.32Å; F205-D207 PolarHBondContact O-N 3.18Å; D207-T209 PolarHBondContact O-N 2.97Å; D207-A210 WeakPolarHBondContact O-CA 3.33Å; D207-A210 WeakPolarHBondContact O-CB 3.32Å; D207-A210 PolarHBondContact O-N 3.3Å; D207-G211 PolarHBondContact O-N 3.35Å; D207-L329 WeakPolarHBondContact OD2-CD1 3.45Å
208L98.6Very high97.8Very high0 Ų014.8 Ų14.80%010%0.096CC..Hα-helixtrans-57.3-39.4175.9179.263.2000112V200 F205 A210 G211 L212 F224 A226 L281V200-L208 HydrophobicContact CB-CB 4.3Å; V200-L208 HydrophobicContact CB-CD1 4.29Å; V200-L208 HydrophobicContact CG1-CB 4.14Å; V200-L208 HydrophobicContact CG2-CD1 4.02Å; F205-L208 HydrophobicContact CD1-CB 4.46Å; F205-L208 HydrophobicContact CD1-CD2 3.78Å; F205-L208 HydrophobicContact CE1-CD2 3.82Å; L208-A210 VanDerWaalsContact C-N 3.28Å; L208-A210 PolarHBondContact O-N 3.34Å; L208-G211 PolarHBondContact O-N 2.88Å; L208-L212 HydrophobicContact CD1-CD1 4.5Å; L208-L212 HydrophobicContact CD1-CG 4.4Å; L208-L212 HydrophobicContact CG-CD1 4.09Å; L208-L212 HydrophobicContact CG-CG 4.46Å; L208-L212 VanDerWaalsContact O-CG 3.32Å; L208-L212 WeakPolarHBondContact O-CG 3.26Å; L208-L212 PolarHBondContact O-N 3.48Å; L208-F224 HydrophobicContact CD1-CB 3.87Å; L208-F224 HydrophobicContact CD1-CD1 3.77Å; L208-F224 HydrophobicContact CD1-CG 3.97Å; L208-A226 HydrophobicContact CD2-CB 3.75Å; L208-L281 HydrophobicContact CD1-CD1 4.37Å; L208-L281 HydrophobicContact CD2-CD1 4.3Å; L208-L281 HydrophobicContact CD2-CD2 4.24Å
209T98.4Very high97.7Very high2 Ų214.9 Ų14.91%0.01210%0.096CC..Hα-helixtrans-59-41.4175.5-56.40000111.1L174 F205 D207 L212 L213 R266 V267L174-T209 HydrophobicContact CD1-CG2 3.72Å; L174-T209 HydrophobicContact CD2-CG2 4.2Å; F205-T209 WeakPolarHBondContact O-CB 3.47Å; F205-T209 PolarHBondContact O-N 3.14Å; F205-T209 PolarHBondContact O-OG1 3.05Å; D207-T209 PolarHBondContact O-N 2.97Å; T209-L212 PolarHBondContact O-N 3.24Å; T209-L213 HydrophobicContact CG2-CD1 4.48Å; T209-L213 WeakPolarHBondContact O-CG 3.26Å; T209-L213 PolarHBondContact O-N 3.17Å; T209-R266 HydrophobicContact CG2-CB 3.88Å; T209-V267 WeakPolarHBondContact OG1-CG2 3.24Å
210A98.5Very high97.6Very high0 Ų017.5 Ų17.50%011%0.113CC..Hα-helixtrans-66.1-39.4176.300000112.3L174 Q177 I178 Y181 G206 D207 L208 L212 L213 A214L174-A210 HydrophobicContact CD1-CB 4.16Å; Q177-A210 HydrophobicContact CB-CB 3.49Å; Q177-A210 VanDerWaalsContact CB-CB 3.49Å; I178-A210 HydrophobicContact CG1-CB 4.07Å; Y181-A210 HydrophobicContact CE2-CB 4.19Å; G206-A210 PolarHBondContact O-N 3.01Å; G206-A210 VanDerWaalsContact O-N 3.15Å; D207-A210 WeakPolarHBondContact O-CA 3.33Å; D207-A210 WeakPolarHBondContact O-CB 3.32Å; D207-A210 PolarHBondContact O-N 3.3Å; L208-A210 VanDerWaalsContact C-N 3.28Å; L208-A210 PolarHBondContact O-N 3.34Å; A210-L212 PolarHBondContact O-N 3.49Å; A210-L213 PolarHBondContact O-N 2.94Å; A210-A214 PolarHBondContact O-N 3.15Å
211G98.7Very high97.5Very high0 Ų017.9 Ų17.90%012%0.116CC..Hα-helixtrans-61.6-42.9173.800000112.8D207 L208 A214 K215 F224D207-G211 PolarHBondContact O-N 3.35Å; L208-G211 PolarHBondContact O-N 2.88Å; G211-A214 WeakPolarHBondContact O-CB 3.32Å; G211-A214 PolarHBondContact O-N 3.29Å; G211-K215 PolarHBondContact O-N 2.92Å; G211-F224 VanDerWaalsContact O-CZ 3.24Å; G211-F224 WeakPolarHBondContact O-CZ 3.43Å
212L98.7Very high97.5Very high3 Ų322 Ų222%0.01613%0.132CC..Hα-helixtrans-65.8-38.6175.5-66.8164.4000111.9L208 T209 A210 A214 K215 S216 F224 V267 L270 F271 W276L208-L212 HydrophobicContact CD1-CD1 4.5Å; L208-L212 HydrophobicContact CD1-CG 4.4Å; L208-L212 HydrophobicContact CG-CD1 4.09Å; L208-L212 HydrophobicContact CG-CG 4.46Å; L208-L212 VanDerWaalsContact O-CG 3.32Å; L208-L212 WeakPolarHBondContact O-CG 3.26Å; L208-L212 PolarHBondContact O-N 3.48Å; T209-L212 PolarHBondContact O-N 3.24Å; A210-L212 PolarHBondContact O-N 3.49Å; L212-A214 VanDerWaalsContact C-N 3.32Å; L212-K215 PolarHBondContact O-N 3.22Å; L212-S216 WeakPolarHBondContact O-CB 3.25Å; L212-S216 PolarHBondContact O-N 3.09Å; L212-F224 HydrophobicContact CD2-CD2 3.75Å; L212-F224 HydrophobicContact CD2-CE2 4.23Å; L212-F224 HydrophobicContact CD2-CG 4.35Å; L212-F224 HydrophobicContact CG-CD2 4.45Å; L212-V267 HydrophobicContact CD1-CB 4.43Å; L212-V267 HydrophobicContact CD1-CG1 3.74Å; L212-V267 HydrophobicContact CD1-CG2 4.14Å; L212-L270 HydrophobicContact CB-CD2 3.55Å; L212-F271 HydrophobicContact CD1-CD2 4.33Å; L212-F271 HydrophobicContact CD1-CE2 3.63Å; L212-F271 HydrophobicContact CD2-CE2 3.66Å; L212-F271 HydrophobicContact CD2-CZ 4.01Å; L212-F271 HydrophobicContact CG-CE2 4.26Å; L212-W276 HydrophobicContact CD2-CZ3 4.44Å
213L98.6Very high97.5Very high25 Ų2524 Ų2413%0.13114%0.14CC..Hα-helixtrans-61.9-41171.7-75.7169.9000111.1L174 I178 T209 A210 K215 S216 L217 L270L174-L213 HydrophobicContact CD1-CD1 4.25Å; L174-L213 HydrophobicContact CD2-CD1 3.92Å; L174-L213 HydrophobicContact CG-CD1 3.93Å; I178-L213 HydrophobicContact CD1-CB 3.7Å; I178-L213 HydrophobicContact CD1-CD1 3.94Å; I178-L213 HydrophobicContact CD1-CG 4.44Å; I178-L213 HydrophobicContact CG1-CB 4Å; I178-L213 HydrophobicContact CG1-CD1 4.46Å; T209-L213 HydrophobicContact CG2-CD1 4.48Å; T209-L213 WeakPolarHBondContact O-CG 3.26Å; T209-L213 PolarHBondContact O-N 3.17Å; A210-L213 PolarHBondContact O-N 2.94Å; L213-K215 PolarHBondContact O-N 3.32Å; L213-S216 CarbonylContact O-C 3.52Å; L213-S216 WeakPolarHBondContact O-CA 3.45Å; L213-S216 VanDerWaalsContact O-CB 3.32Å; L213-S216 WeakPolarHBondContact O-CB 3.28Å; L213-S216 PolarHBondContact O-N 3.17Å; L213-S216 PolarHBondContact O-OG 2.9Å; L213-L217 WeakPolarHBondContact O-CG 3.33Å; L213-L217 PolarHBondContact O-N 3.45Å; L213-L270 HydrophobicContact CD2-CD1 4.03Å; L213-L270 HydrophobicContact CD2-CD2 3.9Å; L213-L270 HydrophobicContact CG-CD2 3.97Å
214A98.7Very high97.7Very high0 Ų023.8 Ų23.80%014%0.136CC..Hα-helixtrans-59.4-47.217500000111.8I178 Y181 F182 A210 G211 L212 S216 L217 L219I178-A214 HydrophobicContact CG2-CB 3.73Å; Y181-A214 HydrophobicContact CG-CB 4.33Å; F182-A214 HydrophobicContact CD2-CB 4.09Å; F182-A214 HydrophobicContact CE2-CB 3.77Å; A210-A214 PolarHBondContact O-N 3.15Å; G211-A214 WeakPolarHBondContact O-CB 3.32Å; G211-A214 PolarHBondContact O-N 3.29Å; L212-A214 VanDerWaalsContact C-N 3.32Å; A214-S216 VanDerWaalsContact C-N 3.25Å; A214-S216 PolarHBondContact O-N 3.16Å; A214-L217 WeakPolarHBondContact O-CB 3.29Å; A214-L217 PolarHBondContact O-N 3.3Å; A214-L217 VanDerWaalsContact O-N 3.16Å; A214-L219 HydrophobicContact CB-CB 4.37Å; A214-L219 HydrophobicContact CB-CD2 3.83Å; A214-L219 WeakPolarHBondContact O-CB 3.47Å; A214-L219 PolarHBondContact O-N 2.84Å
215K98.4Very high97.9Very high61 Ų6122.7 Ų22.727%0.26513%0.13SC..Hα-helixtrans-58.5-39.3171.8177.5173-179.9159.20111.6G211 L212 L213 L217 G218 V221 K222 F224 W276G211-K215 PolarHBondContact O-N 2.92Å; L212-K215 PolarHBondContact O-N 3.22Å; L213-K215 PolarHBondContact O-N 3.32Å; K215-L217 PolarHBondContact O-N 3.05Å; K215-G218 PolarHBondContact O-N 2.9Å; K215-V221 HydrophobicContact CD-CB 4.38Å; K215-V221 VanDerWaalsContact CE-O 3.31Å; K215-V221 WeakPolarHBondContact CE-O 3.45Å; K215-V221 PolarHBondContact NZ-O 2.94Å; K215-K222 PolarHBondContact NZ-O 3.06Å; K215-F224 HydrophobicContact CB-CE2 4.01Å; K215-F224 HydrophobicContact CD-CD2 4.38Å; K215-F224 HydrophobicContact CD-CE2 4.12Å; K215-W276 HydrophobicContact CB-CH2 4.29Å; K215-W276 HydrophobicContact CD-CH2 4.3Å; K215-W276 HydrophobicContact CG-CH2 3.95Å; K215-W276 HydrophobicContact CG-CZ2 4.16Å
216S98.4Very high98Very high19 Ų1922.4 Ų22.413%0.13313%0.129CC..Hα-helixtrans-66.2-25179.994.60000113.5L212 L213 A214 G218 K274L212-S216 WeakPolarHBondContact O-CB 3.25Å; L212-S216 PolarHBondContact O-N 3.09Å; L213-S216 CarbonylContact O-C 3.52Å; L213-S216 WeakPolarHBondContact O-CA 3.45Å; L213-S216 VanDerWaalsContact O-CB 3.32Å; L213-S216 WeakPolarHBondContact O-CB 3.28Å; L213-S216 PolarHBondContact O-N 3.17Å; L213-S216 PolarHBondContact O-OG 2.9Å; A214-S216 VanDerWaalsContact C-N 3.25Å; A214-S216 PolarHBondContact O-N 3.16Å; S216-G218 VanDerWaalsContact C-N 3.27Å; S216-K274 PolarHBondContact O-NZ 2.71Å
217L98.1Very high98.2Very high70 Ų7022.1 Ų22.137%0.36613%0.126SC..THydrogen-bonded Turntrans-81.7-1.9172.4-64.7168.5000113.1I13 F17 I178 F182 L213 A214 K215I13-L217 HydrophobicContact CG2-CD1 3.99Å; F17-L217 HydrophobicContact CE2-CD1 3.55Å; F17-L217 HydrophobicContact CE2-CD2 3.91Å; F17-L217 HydrophobicContact CE2-CG 4.19Å; F17-L217 HydrophobicContact CZ-CD1 3.76Å; F17-L217 HydrophobicContact CZ-CD2 3.72Å; F17-L217 HydrophobicContact CZ-CG 3.98Å; I178-L217 HydrophobicContact CG2-CD1 3.86Å; F182-L217 HydrophobicContact CE2-CB 4.48Å; F182-L217 HydrophobicContact CE2-CD1 4.19Å; F182-L217 HydrophobicContact CZ-CB 4.09Å; F182-L217 HydrophobicContact CZ-CD1 4.44Å; L213-L217 WeakPolarHBondContact O-CG 3.33Å; L213-L217 PolarHBondContact O-N 3.45Å; A214-L217 WeakPolarHBondContact O-CB 3.29Å; A214-L217 PolarHBondContact O-N 3.3Å; A214-L217 VanDerWaalsContact O-N 3.16Å; K215-L217 PolarHBondContact O-N 3.05Å
218G97.2Very high98.3Very high62 Ų6221.8 Ų21.864%0.63912%0.124SC*.THydrogen-bonded Turntrans100.111.2179.100000115K215 S216K215-G218 PolarHBondContact O-N 2.9Å; S216-G218 VanDerWaalsContact C-N 3.27Å
219L97.3Very high98.3Very high5 Ų521.8 Ų21.83%0.02613%0.125CC..  trans-65.2127.9171-169.271.4000110L2 F182 V185 A214 V221L2-L219 HydrophobicContact CD2-CD1 4.16Å; F182-L219 HydrophobicContact CB-CD1 4.44Å; F182-L219 HydrophobicContact CD1-CD1 3.56Å; F182-L219 HydrophobicContact CD2-CD1 4.2Å; F182-L219 HydrophobicContact CD2-CD2 4.1Å; F182-L219 HydrophobicContact CE1-CB 4.21Å; F182-L219 HydrophobicContact CE1-CD1 3.72Å; F182-L219 HydrophobicContact CE2-CB 4.04Å; F182-L219 HydrophobicContact CE2-CD1 4.35Å; F182-L219 HydrophobicContact CE2-CD2 4.3Å; F182-L219 HydrophobicContact CE2-CG 4.48Å; F182-L219 HydrophobicContact CG-CD1 3.81Å; F182-L219 HydrophobicContact CG-CD2 4.39Å; F182-L219 HydrophobicContact CZ-CB 3.82Å; F182-L219 HydrophobicContact CZ-CD1 4.12Å; F182-L219 HydrophobicContact CZ-CG 4.46Å; V185-L219 HydrophobicContact CB-CD1 3.86Å; V185-L219 HydrophobicContact CG1-CD1 3.96Å; V185-L219 HydrophobicContact CG2-CD1 3.84Å; V185-L219 HydrophobicContact CG2-CD2 3.88Å; V185-L219 HydrophobicContact CG2-CG 3.96Å; A214-L219 HydrophobicContact CB-CB 4.37Å; A214-L219 HydrophobicContact CB-CD2 3.83Å; A214-L219 WeakPolarHBondContact O-CB 3.47Å; A214-L219 PolarHBondContact O-N 2.84Å; L219-V221 HydrophobicContact CD2-CG2 4.12Å; L219-V221 HydrophobicContact CG-CG2 4.27Å; L219-V221 PolarHBondContact O-N 3.13Å
220P95.8Very high98.3Very high55 Ų5523.6 Ų23.636%0.35714%0.135SC..  trans-74.199.5-178.230.1-33.5000110.3V185V185-P220 HydrophobicContact CG1-CG 4.35Å
221V98.1Very high98.3Very high9 Ų924 Ų246%0.05514%0.138CC..  trans-126.7114.5171.2-177.30000108.4L196 V198 K215 L219 F224L196-V221 HydrophobicContact CD2-CG2 4.37Å; V198-V221 HydrophobicContact CB-CG1 4.38Å; V198-V221 HydrophobicContact CG2-CG1 3.84Å; K215-V221 HydrophobicContact CD-CB 4.38Å; K215-V221 VanDerWaalsContact CE-O 3.31Å; K215-V221 WeakPolarHBondContact CE-O 3.45Å; K215-V221 PolarHBondContact NZ-O 2.94Å; L219-V221 HydrophobicContact CD2-CG2 4.12Å; L219-V221 HydrophobicContact CG-CG2 4.27Å; L219-V221 PolarHBondContact O-N 3.13Å; V221-F224 HydrophobicContact CB-CE2 3.88Å; V221-F224 HydrophobicContact CB-CZ 4.18Å; V221-F224 HydrophobicContact CG1-CD2 3.86Å; V221-F224 HydrophobicContact CG1-CE1 4.28Å; V221-F224 HydrophobicContact CG1-CE2 3.54Å; V221-F224 HydrophobicContact CG1-CG 4.37Å; V221-F224 HydrophobicContact CG1-CZ 3.76Å; V221-F224 HydrophobicContact CG2-CE2 4.22Å; V221-F224 HydrophobicContact CG2-CZ 4.07Å
222K97.6Very high98.3Very high94 Ų9425.2 Ų25.241%0.40914%0.144SC..SBendtrans-61.3-57.4-177.5-173.5-179.4-177.5-176.10109.8L196 K215 E324L196-K222 WeakPolarHBondContact O-CA 3.38Å; L196-K222 WeakPolarHBondContact O-CB 3.33Å; L196-K222 PolarHBondContact O-N 3.47Å; K215-K222 PolarHBondContact NZ-O 3.06Å; K222-E324 HydrophobicContact CD-CG 4.34Å; K222-E324 WeakPolarHBondContact CD-OE1 3.17Å; K222-E324 WeakPolarHBondContact CE-OE1 3.43Å; K222-E324 IonicContact NZ-OE1 2.75Å; K222-E324 PolarHBondContact NZ-OE1 3.09Å
223R98Very high98.2Very high46 Ų4625.2 Ų25.217%0.17414%0.144CC..EExtended strand (participates in β ladder)trans-143.7146.7-177.4-175166.467.2-95.8-3.2111V197 V198 Q319 N321 E324V197-R223 WeakPolarHBondContact CA-O 3.2Å; V197-R223 HydrophobicContact CG1-CB 4.41Å; V197-R223 HydrophobicContact CG2-CB 4.45Å; V198-R223 PolarHBondContact N-O 3.02Å; R223-Q319 PolarHBondContact NH2-O 3.43Å; R223-N321 PolarHBondContact NH2-ND2 3.19Å; R223-E324 IonicContact CZ-OE1 3.24Å; R223-E324 IonicContact CZ-OE2 2.71Å; R223-E324 IonicContact NH1-OE1 3.34Å; R223-E324 PolarHBondContact NH1-OE1 3.36Å; R223-E324 IonicContact NH1-OE2 3.86Å; R223-E324 IonicContact NH2-OE1 3.7Å; R223-E324 IonicContact NH2-OE2 3.44Å; R223-E324 PolarHBondContact NH2-OE2 3.45Å
224F98.9Very high98.3Very high5 Ų524.1 Ų24.12%0.02214%0.138CC..EExtended strand (participates in β ladder)trans-105.6150.7167.2-82.3-81000109.7Y181 V198 V200 L208 G211 L212 K215 V221 L281 G282Y181-F224 HydrophobicContact CD1-CE1 4.17Å; Y181-F224 HydrophobicContact CD1-CZ 4.36Å; Y181-F224 AromaticContact CE1-CE1 3.71Å; Y181-F224 HydrophobicContact CE1-CE1 3.71Å; Y181-F224 HydrophobicContact CE1-CZ 4.28Å; V198-F224 HydrophobicContact CB-CD1 3.76Å; V198-F224 HydrophobicContact CB-CE1 3.67Å; V198-F224 HydrophobicContact CG1-CD1 4.14Å; V198-F224 HydrophobicContact CG1-CE1 3.87Å; V198-F224 HydrophobicContact CG2-CE1 4.28Å; V198-F224 CarbonylContact O-C 3.49Å; V198-F224 VanDerWaalsContact O-CA 3.25Å; V198-F224 WeakPolarHBondContact O-CA 3.37Å; V200-F224 HydrophobicContact CG2-CD1 4.19Å; V200-F224 HydrophobicContact CG2-CE1 4.47Å; L208-F224 HydrophobicContact CD1-CB 3.87Å; L208-F224 HydrophobicContact CD1-CD1 3.77Å; L208-F224 HydrophobicContact CD1-CG 3.97Å; G211-F224 VanDerWaalsContact O-CZ 3.24Å; G211-F224 WeakPolarHBondContact O-CZ 3.43Å; L212-F224 HydrophobicContact CD2-CD2 3.75Å; L212-F224 HydrophobicContact CD2-CE2 4.23Å; L212-F224 HydrophobicContact CD2-CG 4.35Å; L212-F224 HydrophobicContact CG-CD2 4.45Å; K215-F224 HydrophobicContact CB-CE2 4.01Å; K215-F224 HydrophobicContact CD-CD2 4.38Å; K215-F224 HydrophobicContact CD-CE2 4.12Å; V221-F224 HydrophobicContact CB-CE2 3.88Å; V221-F224 HydrophobicContact CB-CZ 4.18Å; V221-F224 HydrophobicContact CG1-CD2 3.86Å; V221-F224 HydrophobicContact CG1-CE1 4.28Å; V221-F224 HydrophobicContact CG1-CE2 3.54Å; V221-F224 HydrophobicContact CG1-CG 4.37Å; V221-F224 HydrophobicContact CG1-CZ 3.76Å; V221-F224 HydrophobicContact CG2-CE2 4.22Å; V221-F224 HydrophobicContact CG2-CZ 4.07Å; F224-L281 HydrophobicContact CB-CD1 3.65Å; F224-G282 PolarHBondContact O-N 2.82Å
225I98.9Very high98.3Very high0 Ų024.5 Ų24.50%014%0.141CC..EExtended strand (participates in β ladder)trans-122.2123.6172.6-57.8168.2000108.6V197 V198 V200 A227 G282 A315 L316 Q319V197-I225 HydrophobicContact CG1-CD1 3.69Å; V197-I225 HydrophobicContact CG1-CG1 4.11Å; V198-I225 PolarHBondContact O-N 3.39Å; V200-I225 PolarHBondContact N-O 3.27Å; I225-A227 PolarHBondContact O-N 3.16Å; I225-G282 CarbonylContact C-O 3.54Å; I225-G282 VanDerWaalsContact CA-O 3.31Å; I225-G282 WeakPolarHBondContact CA-O 3.5Å; I225-A315 HydrophobicContact CG2-CB 3.9Å; I225-L316 HydrophobicContact CD1-CD1 4.09Å; I225-Q319 HydrophobicContact CD1-CB 3.82Å
226A98.9Very high98.3Very high0 Ų023.6 Ų23.60%014%0.136CC..EExtended strand (participates in β ladder)trans-8797.7171.400000109.5F205 L208 G282 Y283 A284F205-A226 HydrophobicContact CE1-CB 3.88Å; F205-A226 HydrophobicContact CZ-CB 4.32Å; L208-A226 HydrophobicContact CD2-CB 3.75Å; A226-G282 PolarHBondContact N-O 2.87Å; A226-Y283 VanDerWaalsContact O-CA 3.31Å; A226-Y283 WeakPolarHBondContact O-CA 3.19Å; A226-A284 PolarHBondContact O-N 2.86Å
227A98.9Very high98.3Very high0 Ų024 Ų240%014%0.135CC..EExtended strand (participates in β ladder)trans-94.2116.4179.200000110V200 P201 S202 I225 M256 V311 A312 A315V200-A227 PolarHBondContact O-N 2.73Å; V200-A227 VanDerWaalsContact O-N 3.1Å; P201-A227 CarbonylContact C-O 3.59Å; P201-A227 WeakPolarHBondContact CA-O 3.44Å; S202-A227 PolarHBondContact N-O 2.98Å; I225-A227 PolarHBondContact O-N 3.16Å; A227-M256 WeakPolarHBondContact O-CE 3.08Å; A227-V311 HydrophobicContact CB-CG1 3.96Å; A227-A312 HydrophobicContact CB-CB 4.34Å; A227-A315 HydrophobicContact CB-CB 3.59Å
228T98.9Very high98.3Very high1 Ų122 Ų221%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-114.3165.8174.874.70000110.2S202 F205 P235 A284 A285 V286 V311S202-T228 WeakPolarHBondContact O-CG2 3.48Å; F205-T228 HydrophobicContact CE2-CG2 4.14Å; F205-T228 HydrophobicContact CZ-CG2 3.87Å; T228-P235 HydrophobicContact CG2-CG 3.82Å; T228-P235 VanDerWaalsContact OG1-CG 3.3Å; T228-P235 WeakPolarHBondContact OG1-CG 3.48Å; T228-A284 PolarHBondContact N-O 3.4Å; T228-A285 CarbonylContact O-C 3.53Å; T228-A285 WeakPolarHBondContact O-CA 3.39Å; T228-V286 PolarHBondContact O-N 2.65Å; T228-V311 VanDerWaalsContact O-CG1 3.31Å; T228-V311 WeakPolarHBondContact O-CG1 3.34Å
229N98.6Very high98.4Very high1 Ų125.8 Ų25.81%0.00513%0.126CC..  trans-81.4-159.5163.462.625.2000109.9N231 T251 S253 D257 V286N229-N231 PolarHBondContact O-N 3.24Å; N229-N231 VanDerWaalsContact OD1-CB 3.23Å; N229-N231 WeakPolarHBondContact OD1-CB 3.48Å; N229-N231 PolarHBondContact OD1-N 2.75Å; N229-N231 PolarHBondContact OD1-ND2 3.33Å; N229-T251 HydrophobicContact CB-CG2 4.27Å; N229-T251 PolarHBondContact ND2-OG1 2.75Å; N229-S253 WeakPolarHBondContact CB-OG 3.16Å; N229-S253 PolarHBondContact ND2-O 3.28Å; N229-S253 PolarHBondContact ND2-OG 3.29Å; N229-D257 PolarHBondContact ND2-OD1 2.56Å; N229-V286 CarbonylContact C-O 3.48Å; N229-V286 WeakPolarHBondContact CA-O 3.46Å
230V98.6Very high98.4Very high39 Ų3929.7 Ų29.724%0.23615%0.147CC..SBendtrans-58.5-15.4176.4-56.10000114.5D232 Q249 T251 D287V230-D232 PolarHBondContact O-N 3.24Å; V230-Q249 HydrophobicContact CG2-CB 3.98Å; V230-Q249 HydrophobicContact CG2-CG 4.08Å; V230-Q249 VanDerWaalsContact CG2-OE1 3.26Å; V230-T251 HydrophobicContact CG2-CG2 3.46Å; V230-T251 VanDerWaalsContact CG2-CG2 3.46Å; V230-D287 HydrophobicContact CG1-CB 3.98Å
231N98.3Very high98.5Very high10 Ų1029.6 Ų29.65%0.05316%0.155CC..  trans-76.665170.7-57.8-78.1000110N229 T233 T248 Q249 D257N229-N231 PolarHBondContact O-N 3.24Å; N229-N231 VanDerWaalsContact OD1-CB 3.23Å; N229-N231 WeakPolarHBondContact OD1-CB 3.48Å; N229-N231 PolarHBondContact OD1-N 2.75Å; N229-N231 PolarHBondContact OD1-ND2 3.33Å; N231-T233 PolarHBondContact O-N 3.27Å; N231-T248 WeakPolarHBondContact OD1-CA 3.46Å; N231-Q249 PolarHBondContact ND2-O 3.19Å; N231-Q249 PolarHBondContact OD1-N 3.49Å; N231-Q249 PolarHBondContact OD1-O 3.01Å; N231-D257 WeakPolarHBondContact ND2-CA 3.4Å; N231-D257 PolarHBondContact ND2-OD1 3.03Å; N231-D257 VanDerWaalsContact ND2-OD1 3.13Å
232D98.5Very high98.5Very high25 Ų2535.2 Ų35.213%0.13418%0.181CC..  trans-9230.5-160.466.3-11.9000114.7V230 V234 P235 R236 K246 A285V230-D232 PolarHBondContact O-N 3.24Å; D232-V234 VanDerWaalsContact C-N 3.29Å; D232-V234 PolarHBondContact O-N 3.38Å; D232-P235 HydrophobicContact CB-CB 4.45Å; D232-P235 HydrophobicContact CB-CG 4.44Å; D232-P235 WeakPolarHBondContact O-CD 3.26Å; D232-R236 PolarHBondContact O-N 2.94Å; D232-R236 PolarHBondContact O-NE 3.17Å; D232-R236 IonicContact OD1-CZ 3.74Å; D232-R236 IonicContact OD1-NE 2.83Å; D232-R236 PolarHBondContact OD1-NE 3.37Å; D232-R236 IonicContact OD1-NH2 2.72Å; D232-R236 PolarHBondContact OD1-NH2 3.1Å; D232-R236 VanDerWaalsContact OD2-CD 3.28Å; D232-R236 WeakPolarHBondContact OD2-CD 3.35Å; D232-R236 WeakPolarHBondContact OD2-CG 3.24Å; D232-R236 IonicContact OD2-NE 3.76Å; D232-R236 PolarHBondContact OD2-NE 3.42Å; D232-K246 IonicContact OD1-NZ 2.66Å; D232-K246 PolarHBondContact OD1-NZ 3.4Å; D232-K246 IonicContact OD2-NZ 3.91Å; D232-K246 PolarHBondContact OD2-NZ 2.77Å; D232-A285 HydrophobicContact CB-CB 3.66Å
233T98.7Very high98.5Very high2 Ų235.9 Ų35.91%0.01218%0.181CC..Hα-helixtrans-54.6-45.1-177.6-59.50000112.4N231 F237 W243 P245 S259N231-T233 PolarHBondContact O-N 3.27Å; T233-F237 VanDerWaalsContact O-CB 3.3Å; T233-F237 WeakPolarHBondContact O-CB 3.47Å; T233-F237 PolarHBondContact O-N 3.35Å; T233-W243 HydrophobicContact CG2-CD2 4.25Å; T233-W243 HydrophobicContact CG2-CE3 4.22Å; T233-W243 HydrophobicContact CG2-CH2 3.98Å; T233-W243 HydrophobicContact CG2-CZ2 3.98Å; T233-W243 HydrophobicContact CG2-CZ3 4.08Å; T233-P245 HydrophobicContact CG2-CB 3.96Å; T233-P245 WeakPolarHBondContact OG1-CA 3.28Å; T233-S259 VanDerWaalsContact CB-O 3.23Å; T233-S259 WeakPolarHBondContact CB-O 3.25Å; T233-S259 WeakPolarHBondContact CG2-O 3.5Å; T233-S259 PolarHBondContact OG1-O 3.15Å
234V98.7Very high98.5Very high2 Ų236 Ų361%0.01219%0.189CC..Hα-helixtrans-74.6-47.8-179.3170.20000112.6F205 D232 R236 F237 L238 W243 P261 W264F205-V234 HydrophobicContact CD1-CG2 4.48Å; F205-V234 HydrophobicContact CD2-CG2 4.16Å; F205-V234 HydrophobicContact CE1-CB 3.94Å; F205-V234 HydrophobicContact CE1-CG1 3.56Å; F205-V234 HydrophobicContact CE1-CG2 3.97Å; F205-V234 HydrophobicContact CE2-CB 3.9Å; F205-V234 HydrophobicContact CE2-CG1 4.44Å; F205-V234 HydrophobicContact CE2-CG2 3.6Å; F205-V234 HydrophobicContact CZ-CB 3.37Å; F205-V234 HydrophobicContact CZ-CG1 3.5Å; F205-V234 HydrophobicContact CZ-CG2 3.51Å; D232-V234 VanDerWaalsContact C-N 3.29Å; D232-V234 PolarHBondContact O-N 3.38Å; V234-R236 VanDerWaalsContact C-N 3.3Å; V234-R236 PolarHBondContact O-N 3.01Å; V234-F237 PolarHBondContact O-N 2.99Å; V234-L238 HydrophobicContact CG1-CD1 3.66Å; V234-L238 HydrophobicContact CG1-CG 4.11Å; V234-L238 WeakPolarHBondContact O-CG 3.42Å; V234-L238 PolarHBondContact O-N 3.36Å; V234-W243 HydrophobicContact CG2-CH2 4.43Å; V234-W243 HydrophobicContact CG2-CZ3 4.2Å; V234-P261 HydrophobicContact CG2-CG 3.65Å; V234-W264 HydrophobicContact CB-CZ3 4.5Å; V234-W264 HydrophobicContact CG1-CD2 4.44Å; V234-W264 HydrophobicContact CG1-CE3 3.92Å; V234-W264 HydrophobicContact CG1-CH2 3.58Å; V234-W264 HydrophobicContact CG1-CZ2 4.12Å; V234-W264 HydrophobicContact CG1-CZ3 3.47Å; V234-W264 VanDerWaalsContact CG1-CZ3 3.47Å; V234-W264 HydrophobicContact CG2-CD2 3.85Å; V234-W264 HydrophobicContact CG2-CE3 3.74Å; V234-W264 HydrophobicContact CG2-CG 4.3Å; V234-W264 HydrophobicContact CG2-CZ3 4.19Å
235P98.7Very high98.4Very high8 Ų838.1 Ų38.15%0.05220%0.203CC..Hα-helixtrans-53.2-44173.7-32.136.8000113.9T228 D232 L238 H239 Y283 A285T228-P235 HydrophobicContact CG2-CG 3.82Å; T228-P235 VanDerWaalsContact OG1-CG 3.3Å; T228-P235 WeakPolarHBondContact OG1-CG 3.48Å; D232-P235 HydrophobicContact CB-CB 4.45Å; D232-P235 HydrophobicContact CB-CG 4.44Å; D232-P235 WeakPolarHBondContact O-CD 3.26Å; P235-L238 PolarHBondContact O-N 3.16Å; P235-H239 PolarHBondContact O-N 3.12Å; P235-H239 VanDerWaalsContact O-N 3.1Å; P235-Y283 HydrophobicContact CB-CD2 3.96Å; P235-A285 HydrophobicContact CB-CB 4.39Å; P235-A285 HydrophobicContact CG-CB 4.34Å
236R98.6Very high98.4Very high43 Ų4343.3 Ų43.316%0.16223%0.226CC..Hα-helixtrans-64.8-45.8176.1-71.4-176-65.8104.40.1112D232 V234 L238 H239 D240 S244D232-R236 PolarHBondContact O-N 2.94Å; D232-R236 PolarHBondContact O-NE 3.17Å; D232-R236 IonicContact OD1-CZ 3.74Å; D232-R236 IonicContact OD1-NE 2.83Å; D232-R236 PolarHBondContact OD1-NE 3.37Å; D232-R236 IonicContact OD1-NH2 2.72Å; D232-R236 PolarHBondContact OD1-NH2 3.1Å; D232-R236 VanDerWaalsContact OD2-CD 3.28Å; D232-R236 WeakPolarHBondContact OD2-CD 3.35Å; D232-R236 WeakPolarHBondContact OD2-CG 3.24Å; D232-R236 IonicContact OD2-NE 3.76Å; D232-R236 PolarHBondContact OD2-NE 3.42Å; V234-R236 VanDerWaalsContact C-N 3.3Å; V234-R236 PolarHBondContact O-N 3.01Å; R236-L238 VanDerWaalsContact C-N 3.3Å; R236-L238 PolarHBondContact O-N 3.09Å; R236-H239 WeakPolarHBondContact O-CB 3.42Å; R236-H239 PolarHBondContact O-N 3.33Å; R236-D240 PolarHBondContact O-N 3.23Å; R236-D240 VanDerWaalsContact O-OD1 3.07Å; R236-S244 VanDerWaalsContact CZ-O 3.27Å; R236-S244 PolarHBondContact NH1-O 2.79Å; R236-S244 PolarHBondContact NH1-OG 3.43Å; R236-S244 PolarHBondContact NH2-O 2.99Å
237F98.7Very high98.3Very high28 Ų2847.8 Ų47.812%0.12326%0.263CS..Hα-helixtrans-57.2-42.1175.2170.9-105.4000112.6T233 V234 H239 G241 W243 W264 E268 L278T233-F237 VanDerWaalsContact O-CB 3.3Å; T233-F237 WeakPolarHBondContact O-CB 3.47Å; T233-F237 PolarHBondContact O-N 3.35Å; V234-F237 PolarHBondContact O-N 2.99Å; F237-H239 PolarHBondContact O-N 2.72Å; F237-G241 WeakPolarHBondContact CE2-O 3.25Å; F237-G241 WeakPolarHBondContact O-CA 3.26Å; F237-G241 PolarHBondContact O-N 3.41Å; F237-W243 HydrophobicContact CB-CE3 4.17Å; F237-W243 HydrophobicContact CD1-CE3 4.42Å; F237-W243 HydrophobicContact CD2-CB 4.23Å; F237-W243 HydrophobicContact CD2-CE3 4.13Å; F237-W243 AromaticContact CG-CE3 3.97Å; F237-W243 HydrophobicContact CG-CE3 3.97Å; F237-W264 AromaticContact CD1-CE2 3.81Å; F237-W264 AromaticContact CD1-CZ2 3.62Å; F237-W264 HydrophobicContact CD1-CZ2 3.62Å; F237-W264 AromaticContact CD1-NE1 3.64Å; F237-W264 AromaticContact CE1-CE2 3.76Å; F237-W264 AromaticContact CE1-CZ2 3.58Å; F237-W264 HydrophobicContact CE1-CZ2 3.58Å; F237-W264 AromaticContact CE1-NE1 3.39Å; F237-E268 WeakPolarHBondContact CZ-OE1 3.23Å; F237-L278 HydrophobicContact CE1-CD1 4.23Å
238L98.5Very high98.2Very high28 Ų2849.3 Ų49.315%0.14727%0.272CS..Hα-helixtrans-69.3-23.2177.8-71.8170000112.9V234 P235 R236 W264 L278 L281 Y283V234-L238 HydrophobicContact CG1-CD1 3.66Å; V234-L238 HydrophobicContact CG1-CG 4.11Å; V234-L238 WeakPolarHBondContact O-CG 3.42Å; V234-L238 PolarHBondContact O-N 3.36Å; P235-L238 PolarHBondContact O-N 3.16Å; R236-L238 VanDerWaalsContact C-N 3.3Å; R236-L238 PolarHBondContact O-N 3.09Å; L238-W264 HydrophobicContact CD1-CH2 4.22Å; L238-W264 HydrophobicContact CD2-CH2 3.99Å; L238-W264 HydrophobicContact CD2-CZ2 4.12Å; L238-W264 HydrophobicContact CG-CH2 4.24Å; L238-W264 HydrophobicContact CG-CZ2 4.45Å; L238-L278 HydrophobicContact CD2-CB 4.09Å; L238-L278 HydrophobicContact CD2-CD2 4.38Å; L238-L281 HydrophobicContact CD1-CD2 3.97Å; L238-L281 HydrophobicContact CD1-CG 4.43Å; L238-L281 HydrophobicContact CD2-CD2 4.47Å; L238-Y283 HydrophobicContact CB-CD1 3.5Å; L238-Y283 VanDerWaalsContact CB-CD1 3.5Å; L238-Y283 HydrophobicContact CB-CE1 3.63Å; L238-Y283 HydrophobicContact CB-CG 4.04Å; L238-Y283 HydrophobicContact CD1-CD1 3.77Å; L238-Y283 HydrophobicContact CD1-CG 4Å; L238-Y283 HydrophobicContact CG-CD1 4.25Å
239H98.3Very high98.1Very high141 Ų14154.8 Ų54.865%0.65330%0.298SS*.Hα-helixtrans-80.4-49.9177-178.4-77.9000112.8P235 R236 F237 Y283P235-H239 PolarHBondContact O-N 3.12Å; P235-H239 VanDerWaalsContact O-N 3.1Å; R236-H239 WeakPolarHBondContact O-CB 3.42Å; R236-H239 PolarHBondContact O-N 3.33Å; F237-H239 PolarHBondContact O-N 2.72Å; H239-Y283 WeakPolarHBondContact CA-OH 3.3Å; H239-Y283 HydrophobicContact CB-CE2 4.24Å
240D97.8Very high97.9Very high87 Ų8758.2 Ų58.247%0.46533%0.326SS..Hα-helixtrans-118.3-4.9-171.467.916.3000115.5R236 Q242R236-D240 PolarHBondContact O-N 3.23Å; R236-D240 VanDerWaalsContact O-OD1 3.07Å; D240-Q242 VanDerWaalsContact C-N 3.28Å; D240-Q242 PolarHBondContact O-N 2.98Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.4Å; D240-Q242 PolarHBondContact OD1-N 3.03Å
241G97.6Very high97.9Very high52 Ų5257.2 Ų57.254%0.53632%0.32SS..SBendtrans77.23.9-178.400000115F237F237-G241 WeakPolarHBondContact CE2-O 3.25Å; F237-G241 WeakPolarHBondContact O-CA 3.26Å; F237-G241 PolarHBondContact O-N 3.41Å
242Q98.2Very high97.8Very high128 Ų12858.3 Ų58.360%0.59833%0.326SS*.  trans-98.2113.5-177.3-61.2-166.39.500112.3D240 S244D240-Q242 VanDerWaalsContact C-N 3.28Å; D240-Q242 PolarHBondContact O-N 2.98Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.4Å; D240-Q242 PolarHBondContact OD1-N 3.03Å; Q242-S244 PolarHBondContact O-N 3.14Å; Q242-S244 VanDerWaalsContact O-N 3.09Å; Q242-S244 PolarHBondContact O-OG 2.98Å
243W98.3Very high97.8Very high107 Ų10757.1 Ų57.141%0.40532%0.32SS..  trans-76.498.3173.4-171.8-93.4000111T233 V234 F237 P261 W264T233-W243 HydrophobicContact CG2-CD2 4.25Å; T233-W243 HydrophobicContact CG2-CE3 4.22Å; T233-W243 HydrophobicContact CG2-CH2 3.98Å; T233-W243 HydrophobicContact CG2-CZ2 3.98Å; T233-W243 HydrophobicContact CG2-CZ3 4.08Å; V234-W243 HydrophobicContact CG2-CH2 4.43Å; V234-W243 HydrophobicContact CG2-CZ3 4.2Å; F237-W243 HydrophobicContact CB-CE3 4.17Å; F237-W243 HydrophobicContact CD1-CE3 4.42Å; F237-W243 HydrophobicContact CD2-CB 4.23Å; F237-W243 HydrophobicContact CD2-CE3 4.13Å; F237-W243 AromaticContact CG-CE3 3.97Å; F237-W243 HydrophobicContact CG-CE3 3.97Å; W243-P261 HydrophobicContact CH2-CG 3.87Å; W243-W264 AromaticContact CE3-CD1 3.96Å; W243-W264 HydrophobicContact CH2-CB 3.88Å; W243-W264 AromaticContact CH2-CD1 3.62Å; W243-W264 AromaticContact CH2-CG 3.79Å; W243-W264 HydrophobicContact CH2-CG 3.79Å; W243-W264 HydrophobicContact CZ3-CB 4.26Å; W243-W264 AromaticContact CZ3-CD1 3.17Å; W243-W264 HydrophobicContact CZ3-CD2 4.32Å; W243-W264 AromaticContact CZ3-CG 3.65Å; W243-W264 HydrophobicContact CZ3-CG 3.65Å; W243-W264 AromaticContact CZ3-NE1 3.58Å
244S97.9Very high97.6Very high50 Ų5057.9 Ų57.935%0.3532%0.324SS..  trans-137.276.3-175.952.80000111.1R236 Q242 K246R236-S244 VanDerWaalsContact CZ-O 3.27Å; R236-S244 PolarHBondContact NH1-O 2.79Å; R236-S244 PolarHBondContact NH1-OG 3.43Å; R236-S244 PolarHBondContact NH2-O 2.99Å; Q242-S244 PolarHBondContact O-N 3.14Å; Q242-S244 VanDerWaalsContact O-N 3.09Å; Q242-S244 PolarHBondContact O-OG 2.98Å; S244-K246 PolarHBondContact O-N 3.1Å
245P97.7Very high97.4Very high49 Ų4958.4 Ų58.432%0.31833%0.328SS..PPolyproline II helixtrans-61.4134.4179.826-33.9000111.3T233 S259 Q260T233-P245 HydrophobicContact CG2-CB 3.96Å; T233-P245 WeakPolarHBondContact OG1-CA 3.28Å; P245-S259 WeakPolarHBondContact CB-O 3.29Å; P245-Q260 HydrophobicContact CB-CG 3.89Å; P245-Q260 HydrophobicContact CG-CG 4.15Å
246K97.9Very high97.4Very high108 Ų10858.3 Ų58.347%0.4733%0.327SS..PPolyproline II helixtrans-86.7166.9172.9-66.4167.7-172.3158.80109.6D232 S244 S259D232-K246 IonicContact OD1-NZ 2.66Å; D232-K246 PolarHBondContact OD1-NZ 3.4Å; D232-K246 IonicContact OD2-NZ 3.91Å; D232-K246 PolarHBondContact OD2-NZ 2.77Å; S244-K246 PolarHBondContact O-N 3.1Å; K246-S259 WeakPolarHBondContact O-CB 3.45Å; K246-S259 PolarHBondContact O-OG 2.93Å
247A97Very high97.2Very high94 Ų9456.8 Ų56.878%0.77732%0.322SS*.PPolyproline II helixtrans-59.6139.6167.800000110.2Q249A247-Q249 PolarHBondContact O-N 3.09Å
248T96.1Very high97.1Very high33 Ų3355.6 Ų55.620%0.20232%0.317CS..PPolyproline II helixtrans-59.7130.7179.4-43.90000110.5D140 N231 D257 S259D140-T248 VanDerWaalsContact OD2-CB 3.31Å; D140-T248 WeakPolarHBondContact OD2-CB 3.39Å; D140-T248 PolarHBondContact OD2-OG1 2.84Å; N231-T248 WeakPolarHBondContact OD1-CA 3.46Å; T248-D257 HydrophobicContact CG2-CB 3.95Å; T248-D257 WeakPolarHBondContact CG2-O 3.48Å; T248-S259 WeakPolarHBondContact CA-OG 3.32Å; T248-S259 PolarHBondContact N-OG 2.92Å
249Q96.9Very high97Very high115 Ų11554.4 Ų54.454%0.53731%0.311SS..  trans-109.6132.2172.7-179.9169.5101.700109.4V230 N231 A247 D257V230-Q249 HydrophobicContact CG2-CB 3.98Å; V230-Q249 HydrophobicContact CG2-CG 4.08Å; V230-Q249 VanDerWaalsContact CG2-OE1 3.26Å; N231-Q249 PolarHBondContact ND2-O 3.19Å; N231-Q249 PolarHBondContact OD1-N 3.49Å; N231-Q249 PolarHBondContact OD1-O 3.01Å; A247-Q249 PolarHBondContact O-N 3.09Å; Q249-D257 VanDerWaalsContact O-CG 3.24Å
250A96Very high96.8Very high73 Ų7352.6 Ų52.660%0.60330%0.303SS*.  trans-71.1134.1174.200000110.5D257A250-D257 VanDerWaalsContact CA-OD2 3.24Å; A250-D257 WeakPolarHBondContact CA-OD2 3.07Å
251T97.2Very high96.7Very high19 Ų1948.7 Ų48.712%0.11728%0.282CS..  trans-133.2179.6-178.371.80000112.5N229 V230 S253 D257 D288N229-T251 HydrophobicContact CB-CG2 4.27Å; N229-T251 PolarHBondContact ND2-OG1 2.75Å; V230-T251 HydrophobicContact CG2-CG2 3.46Å; V230-T251 VanDerWaalsContact CG2-CG2 3.46Å; T251-S253 PolarHBondContact O-N 3.37Å; T251-S253 PolarHBondContact OG1-N 3.29Å; T251-S253 VanDerWaalsContact OG1-N 3.08Å; T251-S253 PolarHBondContact OG1-OG 3.15Å; T251-D257 WeakPolarHBondContact CB-OD1 3.12Å; T251-D257 WeakPolarHBondContact CG2-OD1 3.46Å; T251-D257 PolarHBondContact N-OD2 2.94Å; T251-D257 PolarHBondContact OG1-OD1 3.38Å; T251-D288 WeakPolarHBondContact CA-OD2 3.38Å; T251-D288 WeakPolarHBondContact CB-OD1 3.35Å
252L97.6Very high96.4Very high33 Ų3348.2 Ų48.217%0.17327%0.267CS..SBendtrans-64.2-25.1169.1-66.8173.5000112.9N254 D288 Q292 P307 I344L252-N254 PolarHBondContact O-N 2.93Å; L252-D288 WeakPolarHBondContact CB-OD1 3.48Å; L252-D288 HydrophobicContact CD1-CB 3.87Å; L252-D288 HydrophobicContact CG-CB 4.09Å; L252-D288 PolarHBondContact N-OD1 3.19Å; L252-D288 PolarHBondContact N-OD2 3.36Å; L252-Q292 HydrophobicContact CD1-CG 3.5Å; L252-P307 HydrophobicContact CB-CB 3.82Å; L252-P307 HydrophobicContact CB-CG 3.94Å; L252-P307 VanDerWaalsContact O-CB 3.3Å; L252-P307 WeakPolarHBondContact O-CB 3.41Å; L252-P307 WeakPolarHBondContact O-CG 3.49Å; L252-I344 HydrophobicContact CD1-CD1 4.05Å
253S97.7Very high96.2Very high0 Ų042.1 Ų42.10%024%0.239CC..SBendtrans-101.655.7-179.9520000110.9N229 T251 A255 M256 H308N229-S253 WeakPolarHBondContact CB-OG 3.16Å; N229-S253 PolarHBondContact ND2-O 3.28Å; N229-S253 PolarHBondContact ND2-OG 3.29Å; T251-S253 PolarHBondContact O-N 3.37Å; T251-S253 PolarHBondContact OG1-N 3.29Å; T251-S253 VanDerWaalsContact OG1-N 3.08Å; T251-S253 PolarHBondContact OG1-OG 3.15Å; S253-A255 PolarHBondContact O-N 3.46Å; S253-M256 WeakPolarHBondContact O-CA 3.25Å; S253-M256 WeakPolarHBondContact O-CB 3.37Å; S253-M256 PolarHBondContact O-N 3.34Å; S253-H308 WeakPolarHBondContact CA-NE2 3.37Å; S253-H308 PolarHBondContact O-NE2 3.36Å
254N94.8Very high96.2Very high18 Ų1837.1 Ų37.110%0.09622%0.22CC..G310 helixtrans-54.8-28.1-168.467.1-83.9000115.5S89 Q121 L252 M256 D257 H308 F337S89-N254 PolarHBondContact O-ND2 2.89Å; Q121-N254 PolarHBondContact OE1-ND2 2.89Å; L252-N254 PolarHBondContact O-N 2.93Å; N254-M256 PolarHBondContact O-N 3.38Å; N254-D257 WeakPolarHBondContact CA-OD2 3.41Å; N254-D257 PolarHBondContact O-N 3.41Å; N254-H308 PolarHBondContact N-NE2 3.07Å; N254-F337 WeakPolarHBondContact OD1-CE1 3.35Å
255A94.6Very high96.1Very high12 Ų1238.5 Ų38.510%0.09923%0.228CC..G310 helixtrans-70.1-14.1177.100000112.9S89 S253 H308S89-A255 WeakPolarHBondContact OG-CA 3.25Å; S89-A255 PolarHBondContact OG-O 3.32Å; S89-A255 VanDerWaalsContact OG-O 3.09Å; S253-A255 PolarHBondContact O-N 3.46Å; A255-H308 VanDerWaalsContact CB-NE2 3.31Å; A255-H308 WeakPolarHBondContact CB-NE2 3.32Å; A255-H308 PolarHBondContact N-NE2 3.06Å
256M97.1Very high96.1Very high6 Ų640 Ų403%0.0323%0.227CC..G310 helixtrans-100.4-1.2176.6-67.6160.959.900113.8P201 A227 S253 N254 V258 H308 V311P201-M256 HydrophobicContact CB-CE 3.95Å; P201-M256 HydrophobicContact CB-SD 3.62Å; A227-M256 WeakPolarHBondContact O-CE 3.08Å; S253-M256 WeakPolarHBondContact O-CA 3.25Å; S253-M256 WeakPolarHBondContact O-CB 3.37Å; S253-M256 PolarHBondContact O-N 3.34Å; N254-M256 PolarHBondContact O-N 3.38Å; M256-V258 PolarHBondContact O-N 3.07Å; M256-H308 HydrophobicContact SD-CB 3.85Å; M256-V311 HydrophobicContact CE-CB 4.12Å; M256-V311 HydrophobicContact CE-CG1 3.66Å; M256-V311 HydrophobicContact CE-CG2 4.47Å
257D96.2Very high96.2Very high11 Ų1134.8 Ų34.86%0.05920%0.204CC..  trans-72.175.1178.1-64.2-13.9000111.1N229 N231 T248 Q249 A250 T251 N254N229-D257 PolarHBondContact ND2-OD1 2.56Å; N231-D257 WeakPolarHBondContact ND2-CA 3.4Å; N231-D257 PolarHBondContact ND2-OD1 3.03Å; N231-D257 VanDerWaalsContact ND2-OD1 3.13Å; T248-D257 HydrophobicContact CG2-CB 3.95Å; T248-D257 WeakPolarHBondContact CG2-O 3.48Å; Q249-D257 VanDerWaalsContact O-CG 3.24Å; A250-D257 VanDerWaalsContact CA-OD2 3.24Å; A250-D257 WeakPolarHBondContact CA-OD2 3.07Å; T251-D257 WeakPolarHBondContact CB-OD1 3.12Å; T251-D257 WeakPolarHBondContact CG2-OD1 3.46Å; T251-D257 PolarHBondContact N-OD2 2.94Å; T251-D257 PolarHBondContact OG1-OD1 3.38Å; N254-D257 WeakPolarHBondContact CA-OD2 3.41Å; N254-D257 PolarHBondContact O-N 3.41Å
258V95.2Very high96.2Very high4 Ų433.7 Ų33.72%0.02418%0.183CC..  trans-135.9109.4-174.7-174.70000108.9F141 N204 M256F141-V258 HydrophobicContact CD1-CB 4.4Å; F141-V258 HydrophobicContact CD1-CG1 4.21Å; F141-V258 HydrophobicContact CD1-CG2 3.63Å; F141-V258 HydrophobicContact CE1-CG1 4.11Å; F141-V258 HydrophobicContact CE1-CG2 3.78Å; N204-V258 HydrophobicContact CB-CG1 4.46Å; M256-V258 PolarHBondContact O-N 3.07Å
259S96.3Very high96.4Very high2 Ų236 Ų361%0.01419%0.191CC..SBendtrans-82.4-24.7176.2-73.70000112.9T233 P245 K246 T248 P261T233-S259 VanDerWaalsContact CB-O 3.23Å; T233-S259 WeakPolarHBondContact CB-O 3.25Å; T233-S259 WeakPolarHBondContact CG2-O 3.5Å; T233-S259 PolarHBondContact OG1-O 3.15Å; P245-S259 WeakPolarHBondContact CB-O 3.29Å; K246-S259 WeakPolarHBondContact O-CB 3.45Å; K246-S259 PolarHBondContact O-OG 2.93Å; T248-S259 WeakPolarHBondContact CA-OG 3.32Å; T248-S259 PolarHBondContact N-OG 2.92Å; S259-P261 WeakPolarHBondContact O-CD 3.44Å
260Q95.3Very high96.5Very high103 Ų10331.5 Ų31.548%0.48117%0.171SC..SBendtrans-123.479.5-175.4-64.9176.795.700111.7D142 P245 N262D142-Q260 PolarHBondContact OD2-N 3.47Å; D142-Q260 PolarHBondContact OD2-NE2 2.85Å; P245-Q260 HydrophobicContact CB-CG 3.89Å; P245-Q260 HydrophobicContact CG-CG 4.15Å; Q260-N262 PolarHBondContact O-N 2.95Å; Q260-N262 VanDerWaalsContact O-N 3.08Å
261P94.4Very high96.6Very high5 Ų528.5 Ų28.53%0.03214%0.144CC..  trans-70.8110.4-172.926.2-31.9000112.5G203 N204 F205 V234 W243 S259 N263 W264G203-P261 WeakPolarHBondContact O-CB 3.31Å; N204-P261 WeakPolarHBondContact OD1-CA 3.32Å; F205-P261 HydrophobicContact CB-CB 4.23Å; F205-P261 HydrophobicContact CD2-CB 3.34Å; F205-P261 HydrophobicContact CD2-CG 3.81Å; F205-P261 HydrophobicContact CE2-CB 4.08Å; F205-P261 HydrophobicContact CE2-CG 4.12Å; F205-P261 HydrophobicContact CG-CB 4.08Å; V234-P261 HydrophobicContact CG2-CG 3.65Å; W243-P261 HydrophobicContact CH2-CG 3.87Å; S259-P261 WeakPolarHBondContact O-CD 3.44Å; P261-N263 PolarHBondContact O-N 2.84Å; P261-W264 HydrophobicContact CG-CB 4.18Å; P261-W264 WeakPolarHBondContact O-CB 3.41Å; P261-W264 PolarHBondContact O-N 3.24Å
262N91.9Very high96.6Very high43 Ų4335.2 Ų35.223%0.2317%0.168CC..THydrogen-bonded Turntrans-66.9-20-172.1-168.179.3000114.3K149 I169 N204 Q260K149-N262 WeakPolarHBondContact CE-OD1 3.43Å; K149-N262 PolarHBondContact NZ-OD1 3.41Å; I169-N262 WeakPolarHBondContact CG1-ND2 3.09Å; N204-N262 WeakPolarHBondContact OD1-CB 3.45Å; N204-N262 PolarHBondContact OD1-N 3.49Å; Q260-N262 PolarHBondContact O-N 2.95Å; Q260-N262 VanDerWaalsContact O-N 3.08Å
263N94.4Very high96.7Very high0 Ų042.4 Ų42.40%019%0.193CC..THydrogen-bonded Turntrans-90.9-3.5174.6-63.3-81.1000113.4S168 N204 F205 G206 P261 P265 R266 V267S168-N263 PolarHBondContact OG-ND2 2.93Å; N204-N263 WeakPolarHBondContact O-CB 3.43Å; N204-N263 PolarHBondContact O-N 2.72Å; N204-N263 PolarHBondContact O-ND2 3.25Å; F205-N263 HydrophobicContact CB-CB 4.28Å; G206-N263 WeakPolarHBondContact CA-ND2 3.32Å; G206-N263 PolarHBondContact N-ND2 3.16Å; P261-N263 PolarHBondContact O-N 2.84Å; N263-P265 VanDerWaalsContact C-N 3.35Å; N263-R266 WeakPolarHBondContact O-CA 3.49Å; N263-R266 WeakPolarHBondContact O-CB 3.32Å; N263-R266 PolarHBondContact O-N 3.15Å; N263-R266 PolarHBondContact OD1-NH1 2.79Å; N263-V267 PolarHBondContact O-N 3.08Å
264W97.7Very high96.7Very high2 Ų246.9 Ų46.91%0.00821%0.212CC..Hα-helixtrans-55.9-42.3179.1-171.7-108.3000113.6F205 V234 F237 L238 W243 P261 R266 V267 E268 L278 L281F205-W264 AromaticContact CD1-CE3 3.67Å; F205-W264 HydrophobicContact CD1-CE3 3.67Å; F205-W264 AromaticContact CD1-CZ3 3.8Å; F205-W264 HydrophobicContact CD1-CZ3 3.8Å; F205-W264 HydrophobicContact CE1-CE3 4.01Å; F205-W264 AromaticContact CE1-CZ3 3.83Å; F205-W264 HydrophobicContact CE1-CZ3 3.83Å; F205-W264 HydrophobicContact CG-CE3 4.22Å; V234-W264 HydrophobicContact CB-CZ3 4.5Å; V234-W264 HydrophobicContact CG1-CD2 4.44Å; V234-W264 HydrophobicContact CG1-CE3 3.92Å; V234-W264 HydrophobicContact CG1-CH2 3.58Å; V234-W264 HydrophobicContact CG1-CZ2 4.12Å; V234-W264 HydrophobicContact CG1-CZ3 3.47Å; V234-W264 VanDerWaalsContact CG1-CZ3 3.47Å; V234-W264 HydrophobicContact CG2-CD2 3.85Å; V234-W264 HydrophobicContact CG2-CE3 3.74Å; V234-W264 HydrophobicContact CG2-CG 4.3Å; V234-W264 HydrophobicContact CG2-CZ3 4.19Å; F237-W264 AromaticContact CD1-CE2 3.81Å; F237-W264 AromaticContact CD1-CZ2 3.62Å; F237-W264 HydrophobicContact CD1-CZ2 3.62Å; F237-W264 AromaticContact CD1-NE1 3.64Å; F237-W264 AromaticContact CE1-CE2 3.76Å; F237-W264 AromaticContact CE1-CZ2 3.58Å; F237-W264 HydrophobicContact CE1-CZ2 3.58Å; F237-W264 AromaticContact CE1-NE1 3.39Å; L238-W264 HydrophobicContact CD1-CH2 4.22Å; L238-W264 HydrophobicContact CD2-CH2 3.99Å; L238-W264 HydrophobicContact CD2-CZ2 4.12Å; L238-W264 HydrophobicContact CG-CH2 4.24Å; L238-W264 HydrophobicContact CG-CZ2 4.45Å; W243-W264 AromaticContact CE3-CD1 3.96Å; W243-W264 HydrophobicContact CH2-CB 3.88Å; W243-W264 AromaticContact CH2-CD1 3.62Å; W243-W264 AromaticContact CH2-CG 3.79Å; W243-W264 HydrophobicContact CH2-CG 3.79Å; W243-W264 HydrophobicContact CZ3-CB 4.26Å; W243-W264 AromaticContact CZ3-CD1 3.17Å; W243-W264 HydrophobicContact CZ3-CD2 4.32Å; W243-W264 AromaticContact CZ3-CG 3.65Å; W243-W264 HydrophobicContact CZ3-CG 3.65Å; W243-W264 AromaticContact CZ3-NE1 3.58Å; P261-W264 HydrophobicContact CG-CB 4.18Å; P261-W264 WeakPolarHBondContact O-CB 3.41Å; P261-W264 PolarHBondContact O-N 3.24Å; W264-R266 PolarHBondContact O-N 2.92Å; W264-R266 VanDerWaalsContact O-N 3.1Å; W264-V267 HydrophobicContact CD2-CB 4.48Å; W264-V267 HydrophobicContact CE3-CB 3.94Å; W264-V267 HydrophobicContact CE3-CG1 4.12Å; W264-V267 HydrophobicContact CE3-CG2 4.08Å; W264-V267 HydrophobicContact CH2-CG1 3.96Å; W264-V267 HydrophobicContact CZ3-CB 4.02Å; W264-V267 HydrophobicContact CZ3-CG1 3.66Å; W264-V267 HydrophobicContact CZ3-CG2 4.24Å; W264-V267 WeakPolarHBondContact O-CA 3.47Å; W264-V267 WeakPolarHBondContact O-CB 3.33Å; W264-V267 PolarHBondContact O-N 3.13Å; W264-E268 VanDerWaalsContact CD1-CD 3.49Å; W264-E268 HydrophobicContact CZ2-CG 4.35Å; W264-E268 PolarHBondContact NE1-OE1 3.44Å; W264-E268 PolarHBondContact O-N 3.15Å; W264-L278 HydrophobicContact CH2-CD2 4.38Å; W264-L278 HydrophobicContact CZ2-CD2 4.35Å; W264-L281 HydrophobicContact CH2-CD2 4.02Å; W264-L281 HydrophobicContact CZ3-CD2 4.31Å
265P97.3Very high96.9Very high79 Ų7953.3 Ų53.351%0.51325%0.245SC..Hα-helixtrans-58-29.3174.5-2736.4000114N263 E269N263-P265 VanDerWaalsContact C-N 3.35Å; P265-E269 VanDerWaalsContact O-CB 3.25Å; P265-E269 WeakPolarHBondContact O-CB 3.34Å; P265-E269 PolarHBondContact O-N 3.02Å
266R97.7Very high97Very high79 Ų7956.1 Ų56.130%0.29825%0.253SS..Hα-helixtrans-72.6-34.7175.3-65.8178.1169.6164.7-7.5112S168 I169 T209 N263 W264 L270S168-R266 PolarHBondContact O-NH1 3.04Å; I169-R266 PolarHBondContact O-NH2 2.81Å; T209-R266 HydrophobicContact CG2-CB 3.88Å; N263-R266 WeakPolarHBondContact O-CA 3.49Å; N263-R266 WeakPolarHBondContact O-CB 3.32Å; N263-R266 PolarHBondContact O-N 3.15Å; N263-R266 PolarHBondContact OD1-NH1 2.79Å; W264-R266 PolarHBondContact O-N 2.92Å; W264-R266 VanDerWaalsContact O-N 3.1Å; R266-L270 VanDerWaalsContact O-CB 3.29Å; R266-L270 WeakPolarHBondContact O-CB 3.41Å; R266-L270 PolarHBondContact O-N 2.7Å
267V98.5Very high97.1Very high0 Ų060.9 Ų60.90%028%0.275CS..Hα-helixtrans-63.3-52.3172.8175.70000109.5T209 L212 N263 W264 E269 L270 F271T209-V267 WeakPolarHBondContact OG1-CG2 3.24Å; L212-V267 HydrophobicContact CD1-CB 4.43Å; L212-V267 HydrophobicContact CD1-CG1 3.74Å; L212-V267 HydrophobicContact CD1-CG2 4.14Å; N263-V267 PolarHBondContact O-N 3.08Å; W264-V267 HydrophobicContact CD2-CB 4.48Å; W264-V267 HydrophobicContact CE3-CB 3.94Å; W264-V267 HydrophobicContact CE3-CG1 4.12Å; W264-V267 HydrophobicContact CE3-CG2 4.08Å; W264-V267 HydrophobicContact CH2-CG1 3.96Å; W264-V267 HydrophobicContact CZ3-CB 4.02Å; W264-V267 HydrophobicContact CZ3-CG1 3.66Å; W264-V267 HydrophobicContact CZ3-CG2 4.24Å; W264-V267 WeakPolarHBondContact O-CA 3.47Å; W264-V267 WeakPolarHBondContact O-CB 3.33Å; W264-V267 PolarHBondContact O-N 3.13Å; V267-E269 VanDerWaalsContact C-N 3.34Å; V267-E269 PolarHBondContact O-N 3.02Å; V267-L270 PolarHBondContact O-N 3Å; V267-F271 HydrophobicContact CG1-CD2 3.83Å; V267-F271 HydrophobicContact CG1-CE2 3.86Å; V267-F271 WeakPolarHBondContact O-CD2 3.42Å; V267-F271 PolarHBondContact O-N 3.24Å
268E98.5Very high97.1Very high70 Ų7062.8 Ų62.833%0.32729%0.285SS..Hα-helixtrans-58.7-45.6179.9-64.4-178.4119.900111.7F237 W264 L270 F271 R272F237-E268 WeakPolarHBondContact CZ-OE1 3.23Å; W264-E268 VanDerWaalsContact CD1-CD 3.49Å; W264-E268 HydrophobicContact CZ2-CG 4.35Å; W264-E268 PolarHBondContact NE1-OE1 3.44Å; W264-E268 PolarHBondContact O-N 3.15Å; E268-L270 VanDerWaalsContact C-N 3.35Å; E268-L270 PolarHBondContact O-N 3.17Å; E268-F271 PolarHBondContact O-N 3.34Å; E268-R272 VanDerWaalsContact O-CB 3.3Å; E268-R272 WeakPolarHBondContact O-CB 3.26Å; E268-R272 PolarHBondContact O-N 2.95Å
269E98.7Very high97.2Very high81 Ų8170 Ų7038%0.37932%0.316SS..Hα-helixtrans-62.3-40.9177.5178.162.9-178.300112.2P265 V267 R272 R273P265-E269 VanDerWaalsContact O-CB 3.25Å; P265-E269 WeakPolarHBondContact O-CB 3.34Å; P265-E269 PolarHBondContact O-N 3.02Å; V267-E269 VanDerWaalsContact C-N 3.34Å; V267-E269 PolarHBondContact O-N 3.02Å; E269-R272 PolarHBondContact O-N 2.76Å; E269-R272 IonicContact OE1-CZ 3.68Å; E269-R272 IonicContact OE1-NE 3.77Å; E269-R272 IonicContact OE1-NH2 2.96Å; E269-R272 PolarHBondContact OE1-NH2 2.9Å; E269-R272 IonicContact OE2-CZ 3.88Å; E269-R272 VanDerWaalsContact OE2-CZ 3.24Å; E269-R272 IonicContact OE2-NE 3.36Å; E269-R272 PolarHBondContact OE2-NE 3.42Å; E269-R272 IonicContact OE2-NH2 2.73Å; E269-R272 PolarHBondContact OE2-NH2 2.98Å; E269-R273 WeakPolarHBondContact O-CB 3.41Å; E269-R273 WeakPolarHBondContact O-CG 3.39Å; E269-R273 PolarHBondContact O-N 2.84Å; E269-R273 VanDerWaalsContact OE1-CD 3.25Å; E269-R273 WeakPolarHBondContact OE1-CD 3.32Å
270L98.6Very high97.3Very high21 Ų2175.6 Ų75.611%0.1134%0.342CS..Hα-helixtrans-66.1-46.1177.2-178.660.3000111.6L212 L213 R266 V267 E268 R272 R273 K274 W276L212-L270 HydrophobicContact CB-CD2 3.55Å; L213-L270 HydrophobicContact CD2-CD1 4.03Å; L213-L270 HydrophobicContact CD2-CD2 3.9Å; L213-L270 HydrophobicContact CG-CD2 3.97Å; R266-L270 VanDerWaalsContact O-CB 3.29Å; R266-L270 WeakPolarHBondContact O-CB 3.41Å; R266-L270 PolarHBondContact O-N 2.7Å; V267-L270 PolarHBondContact O-N 3Å; E268-L270 VanDerWaalsContact C-N 3.35Å; E268-L270 PolarHBondContact O-N 3.17Å; L270-R272 VanDerWaalsContact C-N 3.34Å; L270-R272 PolarHBondContact O-N 3.29Å; L270-R273 PolarHBondContact O-N 2.86Å; L270-K274 HydrophobicContact CD1-CG 3.86Å; L270-K274 VanDerWaalsContact O-CB 3.3Å; L270-K274 WeakPolarHBondContact O-CB 3.34Å; L270-K274 PolarHBondContact O-N 3.37Å; L270-W276 HydrophobicContact CD2-CZ3 4.43Å; L270-W276 HydrophobicContact CG-CZ3 4.27Å
271F98.6Very high97.4Very high10 Ų1070.9 Ų70.94%0.04432%0.32CS..Hα-helixtrans-58.8-46.4175.3-92.2-105.4000111.2L212 V267 E268 R273 K274 I275 W276 Q277 L278 L281L212-F271 HydrophobicContact CD1-CD2 4.33Å; L212-F271 HydrophobicContact CD1-CE2 3.63Å; L212-F271 HydrophobicContact CD2-CE2 3.66Å; L212-F271 HydrophobicContact CD2-CZ 4.01Å; L212-F271 HydrophobicContact CG-CE2 4.26Å; V267-F271 HydrophobicContact CG1-CD2 3.83Å; V267-F271 HydrophobicContact CG1-CE2 3.86Å; V267-F271 WeakPolarHBondContact O-CD2 3.42Å; V267-F271 PolarHBondContact O-N 3.24Å; E268-F271 PolarHBondContact O-N 3.34Å; F271-R273 PolarHBondContact O-N 2.93Å; F271-K274 PolarHBondContact O-N 2.9Å; F271-I275 PolarHBondContact O-N 3.46Å; F271-W276 HydrophobicContact CB-CB 4.46Å; F271-W276 HydrophobicContact CD1-CB 3.47Å; F271-W276 VanDerWaalsContact CD1-CB 3.47Å; F271-W276 HydrophobicContact CD2-CE3 4.4Å; F271-W276 HydrophobicContact CE1-CB 3.91Å; F271-W276 HydrophobicContact CG-CB 4.11Å; F271-W276 HydrophobicContact CG-CE3 4.44Å; F271-W276 PolarHBondContact O-N 2.91Å; F271-Q277 WeakPolarHBondContact CE1-O 3.35Å; F271-L278 HydrophobicContact CB-CD2 4.21Å; F271-L278 HydrophobicContact CD1-CD2 3.81Å; F271-L278 HydrophobicContact CD1-CG 4.21Å; F271-L278 HydrophobicContact CD2-CD2 4.02Å; F271-L278 HydrophobicContact CE1-CD2 4.15Å; F271-L278 HydrophobicContact CE2-CD2 4.3Å; F271-L278 HydrophobicContact CG-CD2 3.75Å; F271-L278 HydrophobicContact CG-CG 4.41Å; F271-L278 HydrophobicContact CZ-CD2 4.38Å; F271-L281 HydrophobicContact CZ-CB 4.06Å; F271-L281 HydrophobicContact CZ-CD1 4.38Å; F271-L281 HydrophobicContact CZ-CD2 4.44Å
272R98.5Very high97.6Very high160 Ų16071.1 Ų71.160%0.60432%0.323SS*.Hα-helixtrans-57.9-50.3176.7-173.3-167.669.887.4-2.2111.6E268 E269 L270 I275E268-R272 VanDerWaalsContact O-CB 3.3Å; E268-R272 WeakPolarHBondContact O-CB 3.26Å; E268-R272 PolarHBondContact O-N 2.95Å; E269-R272 PolarHBondContact O-N 2.76Å; E269-R272 IonicContact OE1-CZ 3.68Å; E269-R272 IonicContact OE1-NE 3.77Å; E269-R272 IonicContact OE1-NH2 2.96Å; E269-R272 PolarHBondContact OE1-NH2 2.9Å; E269-R272 IonicContact OE2-CZ 3.88Å; E269-R272 VanDerWaalsContact OE2-CZ 3.24Å; E269-R272 IonicContact OE2-NE 3.36Å; E269-R272 PolarHBondContact OE2-NE 3.42Å; E269-R272 IonicContact OE2-NH2 2.73Å; E269-R272 PolarHBondContact OE2-NH2 2.98Å; L270-R272 VanDerWaalsContact C-N 3.34Å; L270-R272 PolarHBondContact O-N 3.29Å; R272-I275 PolarHBondContact O-N 3.44Å
273R98.5Very high98Very high185 Ų18572.7 Ų72.770%0.69833%0.327SS*.Hα-helixtrans-72.5-29.9-177.4-70.4-171.172.4-179.14.1113.7E269 L270 F271 I275E269-R273 WeakPolarHBondContact O-CB 3.41Å; E269-R273 WeakPolarHBondContact O-CG 3.39Å; E269-R273 PolarHBondContact O-N 2.84Å; E269-R273 VanDerWaalsContact OE1-CD 3.25Å; E269-R273 WeakPolarHBondContact OE1-CD 3.32Å; L270-R273 PolarHBondContact O-N 2.86Å; F271-R273 PolarHBondContact O-N 2.93Å; R273-I275 VanDerWaalsContact C-N 3.31Å
274K98.2Very high98.2Very high94 Ų9473.7 Ų73.741%0.40934%0.335SS..Hα-helixtrans-86.8-1.5175.2-73.7-81.2162.81670113.4S216 L270 F271 W276S216-K274 PolarHBondContact O-NZ 2.71Å; L270-K274 HydrophobicContact CD1-CG 3.86Å; L270-K274 VanDerWaalsContact O-CB 3.3Å; L270-K274 WeakPolarHBondContact O-CB 3.34Å; L270-K274 PolarHBondContact O-N 3.37Å; F271-K274 PolarHBondContact O-N 2.9Å; K274-W276 HydrophobicContact CB-CD2 3.55Å; K274-W276 HydrophobicContact CB-CE3 3.9Å; K274-W276 HydrophobicContact CB-CG 3.99Å; K274-W276 HydrophobicContact CB-CH2 4.19Å; K274-W276 HydrophobicContact CB-CZ2 3.86Å; K274-W276 HydrophobicContact CB-CZ3 4.2Å; K274-W276 HydrophobicContact CD-CH2 4.36Å; K274-W276 HydrophobicContact CD-CZ2 4Å; K274-W276 HydrophobicContact CG-CD2 4.43Å; K274-W276 HydrophobicContact CG-CE3 4.47Å; K274-W276 HydrophobicContact CG-CH2 4.04Å; K274-W276 HydrophobicContact CG-CZ2 3.97Å; K274-W276 HydrophobicContact CG-CZ3 4.27Å; K274-W276 PolarHBondContact O-N 2.83Å
275I98.2Very high98.2Very high152 Ų15276.1 Ų76.178%0.77936%0.355SS*.THydrogen-bonded Turntrans57.441.2-179.1-41.1176.8000110.4F271 R272 R273F271-I275 PolarHBondContact O-N 3.46Å; R272-I275 PolarHBondContact O-N 3.44Å; R273-I275 VanDerWaalsContact C-N 3.31Å
276W98.3Very high98.3Very high71 Ų7172.7 Ų72.727%0.26933%0.333SS..  trans-96.1152.4172.7-61.8-22.4000109.9L212 K215 L270 F271 K274L212-W276 HydrophobicContact CD2-CZ3 4.44Å; K215-W276 HydrophobicContact CB-CH2 4.29Å; K215-W276 HydrophobicContact CD-CH2 4.3Å; K215-W276 HydrophobicContact CG-CH2 3.95Å; K215-W276 HydrophobicContact CG-CZ2 4.16Å; L270-W276 HydrophobicContact CD2-CZ3 4.43Å; L270-W276 HydrophobicContact CG-CZ3 4.27Å; F271-W276 HydrophobicContact CB-CB 4.46Å; F271-W276 HydrophobicContact CD1-CB 3.47Å; F271-W276 VanDerWaalsContact CD1-CB 3.47Å; F271-W276 HydrophobicContact CD2-CE3 4.4Å; F271-W276 HydrophobicContact CE1-CB 3.91Å; F271-W276 HydrophobicContact CG-CB 4.11Å; F271-W276 HydrophobicContact CG-CE3 4.44Å; F271-W276 PolarHBondContact O-N 2.91Å; K274-W276 HydrophobicContact CB-CD2 3.55Å; K274-W276 HydrophobicContact CB-CE3 3.9Å; K274-W276 HydrophobicContact CB-CG 3.99Å; K274-W276 HydrophobicContact CB-CH2 4.19Å; K274-W276 HydrophobicContact CB-CZ2 3.86Å; K274-W276 HydrophobicContact CB-CZ3 4.2Å; K274-W276 HydrophobicContact CD-CH2 4.36Å; K274-W276 HydrophobicContact CD-CZ2 4Å; K274-W276 HydrophobicContact CG-CD2 4.43Å; K274-W276 HydrophobicContact CG-CE3 4.47Å; K274-W276 HydrophobicContact CG-CH2 4.04Å; K274-W276 HydrophobicContact CG-CZ2 3.97Å; K274-W276 HydrophobicContact CG-CZ3 4.27Å; K274-W276 PolarHBondContact O-N 2.83Å
277Q97.7Very high98.4Very high107 Ų10772.4 Ų72.450%0.534%0.337SS..  trans-98.8129.5177.2-59.8-174.113.500109.4F271 K279 E280F271-Q277 WeakPolarHBondContact CE1-O 3.35Å; Q277-K279 HydrophobicContact CB-CD 4.44Å; Q277-K279 HydrophobicContact CB-CG 4.02Å; Q277-K279 PolarHBondContact O-N 2.77Å; Q277-K279 VanDerWaalsContact O-N 3.1Å; Q277-E280 HydrophobicContact CB-CG 4.29Å; Q277-E280 WeakPolarHBondContact O-CB 3.36Å; Q277-E280 WeakPolarHBondContact O-CG 3.46Å; Q277-E280 PolarHBondContact O-N 2.91Å
278L97.6Very high98.4Very high51 Ų5174.7 Ų74.727%0.26735%0.35SS..G310 helixtrans-57.5-26.5179.9-76.7172.7000113F237 L238 W264 F271 E280 L281F237-L278 HydrophobicContact CE1-CD1 4.23Å; L238-L278 HydrophobicContact CD2-CB 4.09Å; L238-L278 HydrophobicContact CD2-CD2 4.38Å; W264-L278 HydrophobicContact CH2-CD2 4.38Å; W264-L278 HydrophobicContact CZ2-CD2 4.35Å; F271-L278 HydrophobicContact CB-CD2 4.21Å; F271-L278 HydrophobicContact CD1-CD2 3.81Å; F271-L278 HydrophobicContact CD1-CG 4.21Å; F271-L278 HydrophobicContact CD2-CD2 4.02Å; F271-L278 HydrophobicContact CE1-CD2 4.15Å; F271-L278 HydrophobicContact CE2-CD2 4.3Å; F271-L278 HydrophobicContact CG-CD2 3.75Å; F271-L278 HydrophobicContact CG-CG 4.41Å; F271-L278 HydrophobicContact CZ-CD2 4.38Å; L278-E280 PolarHBondContact O-N 3.4Å; L278-E280 VanDerWaalsContact O-N 3.14Å; L278-L281 VanDerWaalsContact O-CB 3.25Å; L278-L281 WeakPolarHBondContact O-CB 3.29Å; L278-L281 PolarHBondContact O-N 3.07Å
279K96.7Very high98.4Very high155 Ų15578 Ų7867%0.67437%0.365SS*.G310 helixtrans-61.6-17.7174.879.7-173.2-165-160.80114.6Q277 L281Q277-K279 HydrophobicContact CB-CD 4.44Å; Q277-K279 HydrophobicContact CB-CG 4.02Å; Q277-K279 PolarHBondContact O-N 2.77Å; Q277-K279 VanDerWaalsContact O-N 3.1Å; K279-L281 VanDerWaalsContact C-N 3.27Å
280E97.3Very high98.4Very high120 Ų12076.3 Ų76.356%0.56136%0.36SS*.G310 helixtrans-80.7-11.3175.7-59-66.5150.900112.2Q277 L278Q277-E280 HydrophobicContact CB-CG 4.29Å; Q277-E280 WeakPolarHBondContact O-CB 3.36Å; Q277-E280 WeakPolarHBondContact O-CG 3.46Å; Q277-E280 PolarHBondContact O-N 2.91Å; L278-E280 PolarHBondContact O-N 3.4Å; L278-E280 VanDerWaalsContact O-N 3.14Å
281L98.6Very high98.4Very high4 Ų475.3 Ų75.32%0.02136%0.355CS..SBendtrans-83.8113.4174.2-170.764.4000108.5L208 F224 L238 W264 F271 L278 K279L208-L281 HydrophobicContact CD1-CD1 4.37Å; L208-L281 HydrophobicContact CD2-CD1 4.3Å; L208-L281 HydrophobicContact CD2-CD2 4.24Å; F224-L281 HydrophobicContact CB-CD1 3.65Å; L238-L281 HydrophobicContact CD1-CD2 3.97Å; L238-L281 HydrophobicContact CD1-CG 4.43Å; L238-L281 HydrophobicContact CD2-CD2 4.47Å; W264-L281 HydrophobicContact CH2-CD2 4.02Å; W264-L281 HydrophobicContact CZ3-CD2 4.31Å; F271-L281 HydrophobicContact CZ-CB 4.06Å; F271-L281 HydrophobicContact CZ-CD1 4.38Å; F271-L281 HydrophobicContact CZ-CD2 4.44Å; L278-L281 VanDerWaalsContact O-CB 3.25Å; L278-L281 WeakPolarHBondContact O-CB 3.29Å; L278-L281 PolarHBondContact O-N 3.07Å; K279-L281 VanDerWaalsContact C-N 3.27Å
282G98.7Very high98.4Very high10 Ų1078 Ų7810%0.10337%0.368CS..EExtended strand (participates in β ladder)trans-65.2154.4169.600000110.2F224 I225 A226F224-G282 PolarHBondContact O-N 2.82Å; I225-G282 CarbonylContact C-O 3.54Å; I225-G282 VanDerWaalsContact CA-O 3.31Å; I225-G282 WeakPolarHBondContact CA-O 3.5Å; A226-G282 PolarHBondContact N-O 2.87Å
283Y98.8Very high98.4Very high76 Ų7674.6 Ų74.630%0.29836%0.359SS..EExtended strand (participates in β ladder)trans-151.7154.4178.357.5-94.6000110.6A226 P235 L238 H239 Q319A226-Y283 VanDerWaalsContact O-CA 3.31Å; A226-Y283 WeakPolarHBondContact O-CA 3.19Å; P235-Y283 HydrophobicContact CB-CD2 3.96Å; L238-Y283 HydrophobicContact CB-CD1 3.5Å; L238-Y283 VanDerWaalsContact CB-CD1 3.5Å; L238-Y283 HydrophobicContact CB-CE1 3.63Å; L238-Y283 HydrophobicContact CB-CG 4.04Å; L238-Y283 HydrophobicContact CD1-CD1 3.77Å; L238-Y283 HydrophobicContact CD1-CG 4Å; L238-Y283 HydrophobicContact CG-CD1 4.25Å; H239-Y283 WeakPolarHBondContact CA-OH 3.3Å; H239-Y283 HydrophobicContact CB-CE2 4.24Å; Y283-Q319 PolarHBondContact O-NE2 2.85Å
284A98.8Very high98.4Very high21 Ų2165.8 Ų65.817%0.17433%0.326CS..EExtended strand (participates in β ladder)trans-155.2151168.400000109.9A226 T228 A315A226-A284 PolarHBondContact O-N 2.86Å; T228-A284 PolarHBondContact N-O 3.4Å; A284-A315 HydrophobicContact CB-CB 3.59Å
285A98.8Very high98.5Very high52 Ų5261.4 Ų61.443%0.4331%0.306SS..EExtended strand (participates in β ladder)trans-113.1131166.100000108.2T228 D232 P235T228-A285 CarbonylContact O-C 3.53Å; T228-A285 WeakPolarHBondContact O-CA 3.39Å; D232-A285 HydrophobicContact CB-CB 3.66Å; P235-A285 HydrophobicContact CB-CB 4.39Å; P235-A285 HydrophobicContact CG-CB 4.34Å
286V98.9Very high98.5Very high8 Ų858 Ų585%0.04828%0.284CS..  trans-122.3128.4-175.1-175.30000109.2T228 N229 T290 V311 R314T228-V286 PolarHBondContact O-N 2.65Å; N229-V286 CarbonylContact C-O 3.48Å; N229-V286 WeakPolarHBondContact CA-O 3.46Å; V286-T290 HydrophobicContact CG1-CG2 3.71Å; V286-V311 HydrophobicContact CB-CB 4.42Å; V286-V311 HydrophobicContact CB-CG1 4Å; V286-V311 HydrophobicContact CB-CG2 4.15Å; V286-V311 HydrophobicContact CG1-CG2 4.37Å; V286-V311 HydrophobicContact CG2-CG1 4.01Å; V286-R314 HydrophobicContact CG1-CB 4.32Å; V286-R314 HydrophobicContact CG1-CG 4.11Å; V286-R314 HydrophobicContact CG2-CB 4.18Å; V286-R314 HydrophobicContact CG2-CG 4.07Å
287D98.8Very high98.5Very high72 Ų7258 Ų5839%0.38529%0.287SS..  trans-82.9171.3176.661.652.3000112.8V230 E289 T290 T291V230-D287 HydrophobicContact CG1-CB 3.98Å; D287-E289 PolarHBondContact O-N 3.04Å; D287-E289 PolarHBondContact OD1-N 3.02Å; D287-E289 VanDerWaalsContact OD1-N 3.14Å; D287-T290 PolarHBondContact O-N 2.82Å; D287-T290 VanDerWaalsContact OD1-CB 3.3Å; D287-T290 WeakPolarHBondContact OD1-CB 3.31Å; D287-T290 PolarHBondContact OD1-N 2.83Å; D287-T290 PolarHBondContact OD1-OG1 3.06Å; D287-T290 PolarHBondContact OD2-OG1 3.28Å; D287-T291 WeakPolarHBondContact O-CB 3.42Å; D287-T291 PolarHBondContact O-N 2.87Å; D287-T291 PolarHBondContact O-OG1 3.39Å
288D98.7Very high98.5Very high49 Ų4952.9 Ų52.926%0.26226%0.263SS..Hα-helixtrans-66.5-35.2-178.2-80.8-15.8000112.7T251 L252 T291 Q292T251-D288 WeakPolarHBondContact CA-OD2 3.38Å; T251-D288 WeakPolarHBondContact CB-OD1 3.35Å; L252-D288 WeakPolarHBondContact CB-OD1 3.48Å; L252-D288 HydrophobicContact CD1-CB 3.87Å; L252-D288 HydrophobicContact CG-CB 4.09Å; L252-D288 PolarHBondContact N-OD1 3.19Å; L252-D288 PolarHBondContact N-OD2 3.36Å; D288-T291 WeakPolarHBondContact O-CB 3.31Å; D288-T291 PolarHBondContact O-N 2.84Å; D288-Q292 VanDerWaalsContact O-CG 3.26Å; D288-Q292 WeakPolarHBondContact O-CG 3Å; D288-Q292 PolarHBondContact O-N 2.9Å
289E98.7Very high98.6Very high138 Ų13853.9 Ų53.965%0.64527%0.265SS*.Hα-helixtrans-63.2-48.7178-178178.3171.500110.4D287 T291 Q292 Q293D287-E289 PolarHBondContact O-N 3.04Å; D287-E289 PolarHBondContact OD1-N 3.02Å; D287-E289 VanDerWaalsContact OD1-N 3.14Å; E289-T291 VanDerWaalsContact C-N 3.31Å; E289-T291 PolarHBondContact O-N 2.8Å; E289-Q292 PolarHBondContact O-N 2.75Å; E289-Q293 WeakPolarHBondContact O-CG 3.1Å; E289-Q293 PolarHBondContact O-N 3.48Å
290T98.8Very high98.7Very high47 Ų4754.5 Ų54.529%0.28827%0.27SS..Hα-helixtrans-62.7-39.7175.5-54.40000110.8V286 D287 Q292 Q293 T294 R314V286-T290 HydrophobicContact CG1-CG2 3.71Å; D287-T290 PolarHBondContact O-N 2.82Å; D287-T290 VanDerWaalsContact OD1-CB 3.3Å; D287-T290 WeakPolarHBondContact OD1-CB 3.31Å; D287-T290 PolarHBondContact OD1-N 2.83Å; D287-T290 PolarHBondContact OD1-OG1 3.06Å; D287-T290 PolarHBondContact OD2-OG1 3.28Å; T290-Q292 PolarHBondContact O-N 2.81Å; T290-Q293 PolarHBondContact O-N 3.42Å; T290-T294 VanDerWaalsContact O-CB 3.27Å; T290-T294 WeakPolarHBondContact O-CB 3.32Å; T290-T294 PolarHBondContact O-N 2.84Å; T290-T294 PolarHBondContact O-OG1 2.84Å; T290-R314 HydrophobicContact CG2-CG 3.82Å
291T98.9Very high98.7Very high0 Ų052.5 Ų52.50%026%0.263CS..Hα-helixtrans-60.5-45.1175.8-60.90000111.2D287 D288 E289 T294 M295 P307 A310 V311D287-T291 WeakPolarHBondContact O-CB 3.42Å; D287-T291 PolarHBondContact O-N 2.87Å; D287-T291 PolarHBondContact O-OG1 3.39Å; D288-T291 WeakPolarHBondContact O-CB 3.31Å; D288-T291 PolarHBondContact O-N 2.84Å; E289-T291 VanDerWaalsContact C-N 3.31Å; E289-T291 PolarHBondContact O-N 2.8Å; T291-T294 PolarHBondContact O-N 2.87Å; T291-M295 HydrophobicContact CG2-SD 4.47Å; T291-M295 WeakPolarHBondContact O-CG 3.42Å; T291-M295 PolarHBondContact O-N 2.81Å; T291-P307 HydrophobicContact CG2-CB 3.86Å; T291-P307 WeakPolarHBondContact CG2-O 3.45Å; T291-A310 HydrophobicContact CG2-CB 4.15Å; T291-V311 HydrophobicContact CG2-CG2 4.27Å; T291-V311 WeakPolarHBondContact OG1-CG2 3.4Å
292Q98.8Very high98.7Very high65 Ų6555.7 Ų55.730%0.30430%0.297SS..Hα-helixtrans-62.7-45.7177.1-70.4-178.4-27.700112.3L252 D288 E289 T290 T294 M295 R296 I344L252-Q292 HydrophobicContact CD1-CG 3.5Å; D288-Q292 VanDerWaalsContact O-CG 3.26Å; D288-Q292 WeakPolarHBondContact O-CG 3Å; D288-Q292 PolarHBondContact O-N 2.9Å; E289-Q292 PolarHBondContact O-N 2.75Å; T290-Q292 PolarHBondContact O-N 2.81Å; Q292-T294 VanDerWaalsContact C-N 3.31Å; Q292-T294 PolarHBondContact O-N 2.82Å; Q292-M295 PolarHBondContact O-N 2.95Å; Q292-R296 WeakPolarHBondContact O-CG 3.31Å; Q292-R296 PolarHBondContact O-N 3.01Å; Q292-I344 HydrophobicContact CB-CG1 4.5Å; Q292-I344 HydrophobicContact CB-CG2 4.08Å; Q292-I344 HydrophobicContact CG-CD1 3.76Å; Q292-I344 HydrophobicContact CG-CG1 3.84Å; Q292-I344 HydrophobicContact CG-CG2 4.3Å
293Q98.8Very high98.7Very high90 Ų9056.4 Ų56.442%0.42130%0.297SS..Hα-helixtrans-64-40.5176.8-62.1-55.8-5.300111.5E289 T290 M295 R296 E297E289-Q293 WeakPolarHBondContact O-CG 3.1Å; E289-Q293 PolarHBondContact O-N 3.48Å; T290-Q293 PolarHBondContact O-N 3.42Å; Q293-M295 VanDerWaalsContact C-N 3.31Å; Q293-M295 PolarHBondContact O-N 3.18Å; Q293-R296 VanDerWaalsContact CD-NH1 3.28Å; Q293-R296 WeakPolarHBondContact O-CA 3.41Å; Q293-R296 WeakPolarHBondContact O-CB 2.95Å; Q293-R296 PolarHBondContact O-N 3.02Å; Q293-E297 WeakPolarHBondContact O-CG 3.38Å; Q293-E297 PolarHBondContact O-N 2.86Å
294T98.9Very high98.6Very high0 Ų055.5 Ų55.50%030%0.299CS..Hα-helixtrans-61.4-39.3176.9-57.80000112.2T290 T291 Q292 R296 E297 L298 A310 Y313 R314T290-T294 VanDerWaalsContact O-CB 3.27Å; T290-T294 WeakPolarHBondContact O-CB 3.32Å; T290-T294 PolarHBondContact O-N 2.84Å; T290-T294 PolarHBondContact O-OG1 2.84Å; T291-T294 PolarHBondContact O-N 2.87Å; Q292-T294 VanDerWaalsContact C-N 3.31Å; Q292-T294 PolarHBondContact O-N 2.82Å; T294-R296 VanDerWaalsContact C-N 3.3Å; T294-R296 PolarHBondContact O-N 3.44Å; T294-E297 PolarHBondContact O-N 2.88Å; T294-L298 HydrophobicContact CG2-CD1 4.37Å; T294-L298 WeakPolarHBondContact O-CG 3.42Å; T294-L298 PolarHBondContact O-N 3.26Å; T294-A310 HydrophobicContact CG2-CB 4Å; T294-A310 WeakPolarHBondContact CG2-O 3.43Å; T294-Y313 HydrophobicContact CG2-CD1 3.46Å; T294-Y313 VanDerWaalsContact CG2-CD1 3.46Å; T294-Y313 HydrophobicContact CG2-CE1 4.07Å; T294-R314 HydrophobicContact CG2-CB 4.1Å; T294-R314 WeakPolarHBondContact OG1-CD 3.43Å
295M98.8Very high98.6Very high1 Ų154.7 Ų54.71%0.00529%0.292CS..Hα-helixtrans-62.9-37.1173.7-72.2173.560.200112.1T291 Q292 Q293 K299 P307 A310 V341 I344 L345T291-M295 HydrophobicContact CG2-SD 4.47Å; T291-M295 WeakPolarHBondContact O-CG 3.42Å; T291-M295 PolarHBondContact O-N 2.81Å; Q292-M295 PolarHBondContact O-N 2.95Å; Q293-M295 VanDerWaalsContact C-N 3.31Å; Q293-M295 PolarHBondContact O-N 3.18Å; M295-K299 PolarHBondContact O-N 2.72Å; M295-P307 HydrophobicContact SD-CB 4.45Å; M295-P307 HydrophobicContact SD-CG 3.82Å; M295-A310 HydrophobicContact CG-CB 3.61Å; M295-V341 HydrophobicContact CE-CB 4.35Å; M295-V341 HydrophobicContact CE-CG1 4.46Å; M295-V341 HydrophobicContact CE-CG2 3.88Å; M295-I344 HydrophobicContact CB-CG2 4Å; M295-I344 HydrophobicContact CE-CB 4.2Å; M295-I344 HydrophobicContact CE-CD1 3.88Å; M295-I344 HydrophobicContact CE-CG2 4.08Å; M295-I344 HydrophobicContact SD-CD1 3.76Å; M295-I344 HydrophobicContact SD-CG2 4.25Å; M295-L345 HydrophobicContact CB-CD2 4.08Å; M295-L345 WeakPolarHBondContact O-CD2 3.3Å
296R98.7Very high98.6Very high81 Ų8152.3 Ų52.331%0.30627%0.272SS..Hα-helixtrans-68.1-43.2175-64.2-178.2-171.3107.34.7111.8Q292 Q293 T294 L298 K299 E300 I344 L345Q292-R296 WeakPolarHBondContact O-CG 3.31Å; Q292-R296 PolarHBondContact O-N 3.01Å; Q293-R296 VanDerWaalsContact CD-NH1 3.28Å; Q293-R296 WeakPolarHBondContact O-CA 3.41Å; Q293-R296 WeakPolarHBondContact O-CB 2.95Å; Q293-R296 PolarHBondContact O-N 3.02Å; T294-R296 VanDerWaalsContact C-N 3.3Å; T294-R296 PolarHBondContact O-N 3.44Å; R296-L298 PolarHBondContact O-N 3.18Å; R296-K299 WeakPolarHBondContact O-CB 3.37Å; R296-K299 PolarHBondContact O-N 3.28Å; R296-E300 WeakPolarHBondContact O-CG 3.49Å; R296-E300 PolarHBondContact O-N 3.1Å; R296-I344 HydrophobicContact CG-CG2 4.39Å; R296-I344 PolarHBondContact NE-O 3.03Å; R296-I344 PolarHBondContact NH2-O 2.94Å; R296-L345 HydrophobicContact CG-CD2 4.44Å
297E98.7Very high98.6Very high71 Ų7151.9 Ų51.933%0.33227%0.27SS..Hα-helixtrans-56.5-49173.5-70.8171.6-144.500111Q293 T294 K299 E300 L301 R314Q293-E297 WeakPolarHBondContact O-CG 3.38Å; Q293-E297 PolarHBondContact O-N 2.86Å; T294-E297 PolarHBondContact O-N 2.88Å; E297-K299 VanDerWaalsContact C-N 3.31Å; E297-K299 PolarHBondContact O-N 2.96Å; E297-E300 WeakPolarHBondContact O-CB 3.33Å; E297-E300 PolarHBondContact O-N 3.4Å; E297-E300 VanDerWaalsContact O-N 3.12Å; E297-L301 WeakPolarHBondContact O-CG 3.38Å; E297-L301 PolarHBondContact O-N 3.18Å; E297-R314 IonicContact OE1-NH1 3.84Å; E297-R314 PolarHBondContact OE1-NH1 2.92Å; E297-R314 IonicContact OE2-NH1 2.76Å; E297-R314 PolarHBondContact OE2-NH1 2.89Å
298L98.7Very high98.6Very high0 Ų048.6 Ų48.60%025%0.252CS..Hα-helixtrans-60.3-40.5177.8-74.8173.1000112.3V44 T294 R296 L301 G302 Y303 S305 A310 Y313 F328V44-L298 HydrophobicContact CG1-CD2 3.71Å; T294-L298 HydrophobicContact CG2-CD1 4.37Å; T294-L298 WeakPolarHBondContact O-CG 3.42Å; T294-L298 PolarHBondContact O-N 3.26Å; R296-L298 PolarHBondContact O-N 3.18Å; L298-L301 CarbonylContact O-C 3.59Å; L298-L301 WeakPolarHBondContact O-CB 3.43Å; L298-L301 PolarHBondContact O-N 3.18Å; L298-G302 PolarHBondContact O-N 2.89Å; L298-Y303 CarbonylContact C-O 3.58Å; L298-Y303 PolarHBondContact O-N 2.69Å; L298-S305 VanDerWaalsContact CD1-CB 3.45Å; L298-A310 HydrophobicContact CD1-CB 4.42Å; L298-Y313 HydrophobicContact CD1-CD1 4.01Å; L298-Y313 HydrophobicContact CD1-CG 4.09Å; L298-Y313 HydrophobicContact CD2-CD1 3.73Å; L298-Y313 HydrophobicContact CD2-CD2 3.73Å; L298-Y313 HydrophobicContact CD2-CE1 3.75Å; L298-Y313 HydrophobicContact CD2-CE2 3.75Å; L298-Y313 HydrophobicContact CD2-CG 3.7Å; L298-Y313 HydrophobicContact CG-CD1 3.85Å; L298-Y313 HydrophobicContact CG-CE1 4Å; L298-Y313 HydrophobicContact CG-CG 4.18Å; L298-F328 HydrophobicContact CD2-CZ 4.43Å
299K98.3Very high98.6Very high72 Ų7246.3 Ų46.331%0.31324%0.24SC..Hα-helixtrans-62-42.4173.3170.7177.4172.4165.10112.1M295 R296 E297 L301 G302 Y303 L345 E347M295-K299 PolarHBondContact O-N 2.72Å; R296-K299 WeakPolarHBondContact O-CB 3.37Å; R296-K299 PolarHBondContact O-N 3.28Å; E297-K299 VanDerWaalsContact C-N 3.31Å; E297-K299 PolarHBondContact O-N 2.96Å; K299-L301 PolarHBondContact O-N 2.95Å; K299-G302 WeakPolarHBondContact O-CA 3.41Å; K299-G302 PolarHBondContact O-N 3.26Å; K299-Y303 PolarHBondContact N-O 3.43Å; K299-L345 HydrophobicContact CB-CD2 3.97Å; K299-L345 HydrophobicContact CD-CB 3.96Å; K299-L345 HydrophobicContact CD-CD1 4.32Å; K299-L345 HydrophobicContact CD-CD2 3.91Å; K299-L345 HydrophobicContact CD-CG 4.28Å; K299-L345 PolarHBondContact NZ-O 2.86Å; K299-E347 VanDerWaalsContact CD-OE1 3.25Å; K299-E347 WeakPolarHBondContact CD-OE1 3.28Å; K299-E347 WeakPolarHBondContact CE-OE1 3.34Å; K299-E347 IonicContact NZ-OE1 2.65Å; K299-E347 PolarHBondContact NZ-OE1 3.01Å
300E98.3Very high98.6Very high168 Ų16839.8 Ų39.879%0.78521%0.21SC*.Hα-helixtrans-62.7-30.9176.4-73179.2176.800112.3R296 E297 G302R296-E300 WeakPolarHBondContact O-CG 3.49Å; R296-E300 PolarHBondContact O-N 3.1Å; E297-E300 WeakPolarHBondContact O-CB 3.33Å; E297-E300 PolarHBondContact O-N 3.4Å; E297-E300 VanDerWaalsContact O-N 3.12Å; E300-G302 PolarHBondContact O-N 2.93Å
301L98.3Very high98.6Very high77 Ų7737.5 Ų37.540%0.40320%0.196SC..THydrogen-bonded Turntrans-75.8-3.2170.9-62.8171.8000113.5V44 E45 E297 L298 K299 Y313V44-L301 HydrophobicContact CG1-CD1 4.48Å; E45-L301 HydrophobicContact CG-CD1 3.76Å; E45-L301 HydrophobicContact CG-CD2 4.41Å; E297-L301 WeakPolarHBondContact O-CG 3.38Å; E297-L301 PolarHBondContact O-N 3.18Å; L298-L301 CarbonylContact O-C 3.59Å; L298-L301 WeakPolarHBondContact O-CB 3.43Å; L298-L301 PolarHBondContact O-N 3.18Å; K299-L301 PolarHBondContact O-N 2.95Å; L301-Y313 WeakPolarHBondContact CD1-OH 3.19Å
302G98.1Very high98.6Very high71 Ų7137.5 Ų37.573%0.73220%0.196SC*.THydrogen-bonded Turntrans85.517.4179.700000114.5L298 K299 E300L298-G302 PolarHBondContact O-N 2.89Å; K299-G302 WeakPolarHBondContact O-CA 3.41Å; K299-G302 PolarHBondContact O-N 3.26Å; E300-G302 PolarHBondContact O-N 2.93Å
303Y98.4Very high98.6Very high25 Ų2534.7 Ų34.710%0.09818%0.182CC..  trans-120.3111.6-179.8-169.7-103.3000112.3A42 V44 C50 E52 L298 K299 S305 F328A42-Y303 HydrophobicContact CB-CE2 3.84Å; V44-Y303 HydrophobicContact CG1-CD1 4.46Å; V44-Y303 HydrophobicContact CG1-CG 4.3Å; V44-Y303 HydrophobicContact CG2-CD1 3.9Å; V44-Y303 HydrophobicContact CG2-CD2 3.97Å; V44-Y303 HydrophobicContact CG2-CE1 4.23Å; V44-Y303 HydrophobicContact CG2-CE2 4.3Å; V44-Y303 HydrophobicContact CG2-CG 3.77Å; C50-Y303 HydrophobicContact CB-CE1 3.98Å; C50-Y303 HydrophobicContact CB-CE2 4.43Å; C50-Y303 WeakPolarHBondContact CB-OH 3.4Å; C50-Y303 PolarHBondContact SG-OH 3.05Å; E52-Y303 WeakPolarHBondContact CG-OH 3.46Å; E52-Y303 VanDerWaalsContact OE1-CE2 3.25Å; E52-Y303 WeakPolarHBondContact OE1-CE2 3.41Å; E52-Y303 PolarHBondContact OE1-OH 3.35Å; L298-Y303 CarbonylContact C-O 3.58Å; L298-Y303 PolarHBondContact O-N 2.69Å; K299-Y303 PolarHBondContact N-O 3.43Å; Y303-S305 PolarHBondContact O-N 3.28Å; Y303-F328 HydrophobicContact CD1-CZ 4.35Å; Y303-F328 HydrophobicContact CE1-CE2 4.42Å; Y303-F328 HydrophobicContact CE1-CZ 4.07Å
304T98.5Very high98.6Very high58 Ų5832 Ų3236%0.35617%0.169SC..  trans-76.1114.7176.5-55.50000110.5P334 L345T304-P334 HydrophobicContact CG2-CB 4.32Å; T304-P334 HydrophobicContact CG2-CG 4.32Å; T304-L345 HydrophobicContact CG2-CD1 4.14Å
305S98.5Very high98.6Very high4 Ų432.1 Ų32.13%0.02817%0.169CC..  trans-120.5-175.5-178.9-164.10000111.9L298 Y303 A309L298-S305 VanDerWaalsContact CD1-CB 3.45Å; Y303-S305 PolarHBondContact O-N 3.28Å; S305-A309 WeakPolarHBondContact OG-CB 3.42Å
306E98.5Very high98.6Very high1 Ų132 Ų321%0.00517%0.169CC..  trans-139.3166.7-176.75871.9-143.800111.5H308 A309 A310 A332 P334 F337 V341E306-H308 VanDerWaalsContact C-N 3.31Å; E306-H308 PolarHBondContact O-N 2.64Å; E306-H308 WeakPolarHBondContact OE1-CB 3.37Å; E306-H308 WeakPolarHBondContact OE2-CB 3.36Å; E306-H308 IonicContact OE2-CE1 3.27Å; E306-H308 IonicContact OE2-CG 2.9Å; E306-H308 PolarHBondContact OE2-N 3.48Å; E306-H308 IonicContact OE2-ND1 3.97Å; E306-H308 PolarHBondContact OE2-ND1 3.48Å; E306-A309 PolarHBondContact O-N 3.02Å; E306-A309 WeakPolarHBondContact OE1-CB 3.26Å; E306-A309 PolarHBondContact OE1-N 3.39Å; E306-A310 VanDerWaalsContact O-CB 3.28Å; E306-A310 WeakPolarHBondContact O-CB 3.23Å; E306-A310 PolarHBondContact O-N 3.34Å; E306-A332 WeakPolarHBondContact CG-O 3.39Å; E306-P334 HydrophobicContact CB-CB 4.04Å; E306-P334 HydrophobicContact CB-CG 4.06Å; E306-P334 HydrophobicContact CG-CG 4.18Å; E306-F337 HydrophobicContact CB-CD2 4.02Å; E306-F337 HydrophobicContact CG-CD2 4.26Å; E306-F337 HydrophobicContact CG-CE2 4.37Å; E306-F337 WeakPolarHBondContact OE2-CE2 3.07Å; E306-V341 HydrophobicContact CB-CG2 4.34Å
307P98.7Very high98.6Very high0 Ų031.1 Ų31.10%017%0.165CC..Hα-helixtrans-52.5-40.9-170.4-31.537.7000115.3L252 T291 M295 A310 V311L252-P307 HydrophobicContact CB-CB 3.82Å; L252-P307 HydrophobicContact CB-CG 3.94Å; L252-P307 VanDerWaalsContact O-CB 3.3Å; L252-P307 WeakPolarHBondContact O-CB 3.41Å; L252-P307 WeakPolarHBondContact O-CG 3.49Å; T291-P307 HydrophobicContact CG2-CB 3.86Å; T291-P307 WeakPolarHBondContact CG2-O 3.45Å; M295-P307 HydrophobicContact SD-CB 4.45Å; M295-P307 HydrophobicContact SD-CG 3.82Å; P307-A310 PolarHBondContact O-N 2.87Å; P307-V311 WeakPolarHBondContact O-CG2 3.3Å; P307-V311 PolarHBondContact O-N 3.44Å; P307-V311 VanDerWaalsContact O-N 3.12Å
308H98.7Very high98.6Very high2 Ų232.8 Ų32.81%0.00918%0.176CC..Hα-helixtrans-69.3-50.4-175.7-50.975.2000110.9P201 S253 N254 A255 M256 E306 A310 V311 A312 F337P201-H308 WeakPolarHBondContact CB-O 3.46Å; S253-H308 WeakPolarHBondContact CA-NE2 3.37Å; S253-H308 PolarHBondContact O-NE2 3.36Å; N254-H308 PolarHBondContact N-NE2 3.07Å; A255-H308 VanDerWaalsContact CB-NE2 3.31Å; A255-H308 WeakPolarHBondContact CB-NE2 3.32Å; A255-H308 PolarHBondContact N-NE2 3.06Å; M256-H308 HydrophobicContact SD-CB 3.85Å; E306-H308 VanDerWaalsContact C-N 3.31Å; E306-H308 PolarHBondContact O-N 2.64Å; E306-H308 WeakPolarHBondContact OE1-CB 3.37Å; E306-H308 WeakPolarHBondContact OE2-CB 3.36Å; E306-H308 IonicContact OE2-CE1 3.27Å; E306-H308 IonicContact OE2-CG 2.9Å; E306-H308 PolarHBondContact OE2-N 3.48Å; E306-H308 IonicContact OE2-ND1 3.97Å; E306-H308 PolarHBondContact OE2-ND1 3.48Å; H308-A310 VanDerWaalsContact C-N 3.32Å; H308-A310 PolarHBondContact O-N 3.33Å; H308-V311 WeakPolarHBondContact O-CB 3.39Å; H308-V311 PolarHBondContact O-N 2.84Å; H308-A312 PolarHBondContact O-N 3.44Å; H308-F337 AromaticContact CE1-CE1 3.41Å; H308-F337 VanDerWaalsContact CE1-CE1 3.41Å; H308-F337 WeakPolarHBondContact CE1-CE1 3.38Å; H308-F337 AromaticContact CE1-CE2 3.73Å; H308-F337 AromaticContact CE1-CZ 3.11Å; H308-F337 WeakPolarHBondContact CE1-CZ 3.14Å; H308-F337 AromaticContact ND1-CE2 3.63Å; H308-F337 AromaticContact ND1-CZ 3.5Å; H308-F337 WeakPolarHBondContact ND1-CZ 3.44Å
309A98.9Very high98.6Very high2 Ų235.3 Ų35.32%0.01719%0.188CC..Hα-helixtrans-65-34.8176.600000112.4S305 E306 V311 A312 Y313 F328S305-A309 WeakPolarHBondContact OG-CB 3.42Å; E306-A309 PolarHBondContact O-N 3.02Å; E306-A309 WeakPolarHBondContact OE1-CB 3.26Å; E306-A309 PolarHBondContact OE1-N 3.39Å; A309-V311 PolarHBondContact O-N 3.37Å; A309-A312 PolarHBondContact O-N 2.92Å; A309-Y313 PolarHBondContact O-N 2.98Å; A309-F328 HydrophobicContact CB-CD2 4.21Å; A309-F328 HydrophobicContact CB-CE2 4.08Å
310A98.9Very high98.6Very high0 Ų032.6 Ų32.60%018%0.177CC..Hα-helixtrans-61.8-41.2174.800000112.1T291 T294 M295 L298 E306 P307 H308 A312 Y313 R314T291-A310 HydrophobicContact CG2-CB 4.15Å; T294-A310 HydrophobicContact CG2-CB 4Å; T294-A310 WeakPolarHBondContact CG2-O 3.43Å; M295-A310 HydrophobicContact CG-CB 3.61Å; L298-A310 HydrophobicContact CD1-CB 4.42Å; E306-A310 VanDerWaalsContact O-CB 3.28Å; E306-A310 WeakPolarHBondContact O-CB 3.23Å; E306-A310 PolarHBondContact O-N 3.34Å; P307-A310 PolarHBondContact O-N 2.87Å; H308-A310 VanDerWaalsContact C-N 3.32Å; H308-A310 PolarHBondContact O-N 3.33Å; A310-A312 VanDerWaalsContact C-N 3.29Å; A310-A312 PolarHBondContact O-N 3.5Å; A310-Y313 PolarHBondContact O-N 3.06Å; A310-R314 WeakPolarHBondContact O-CB 3.36Å; A310-R314 PolarHBondContact O-N 3.5Å
311V98.9Very high98.6Very high0 Ų028.5 Ų28.50%016%0.161CC..Hα-helixtrans-57.1-43.8172.7168.90000111.3A227 T228 M256 V286 T291 P307 H308 A309 A315A227-V311 HydrophobicContact CB-CG1 3.96Å; T228-V311 VanDerWaalsContact O-CG1 3.31Å; T228-V311 WeakPolarHBondContact O-CG1 3.34Å; M256-V311 HydrophobicContact CE-CB 4.12Å; M256-V311 HydrophobicContact CE-CG1 3.66Å; M256-V311 HydrophobicContact CE-CG2 4.47Å; V286-V311 HydrophobicContact CB-CB 4.42Å; V286-V311 HydrophobicContact CB-CG1 4Å; V286-V311 HydrophobicContact CB-CG2 4.15Å; V286-V311 HydrophobicContact CG1-CG2 4.37Å; V286-V311 HydrophobicContact CG2-CG1 4.01Å; T291-V311 HydrophobicContact CG2-CG2 4.27Å; T291-V311 WeakPolarHBondContact OG1-CG2 3.4Å; P307-V311 WeakPolarHBondContact O-CG2 3.3Å; P307-V311 PolarHBondContact O-N 3.44Å; P307-V311 VanDerWaalsContact O-N 3.12Å; H308-V311 WeakPolarHBondContact O-CB 3.39Å; H308-V311 PolarHBondContact O-N 2.84Å; A309-V311 PolarHBondContact O-N 3.37Å; V311-A315 PolarHBondContact O-N 2.8Å
312A98.9Very high98.6Very high0 Ų031.4 Ų31.40%018%0.184CC..Hα-helixtrans-68.6-42178.100000113.2S199 P201 A227 H308 A309 A310 L316 F328S199-A312 WeakPolarHBondContact CB-O 3.46Å; S199-A312 PolarHBondContact OG-O 2.81Å; P201-A312 HydrophobicContact CB-CB 3.88Å; P201-A312 HydrophobicContact CG-CB 3.84Å; A227-A312 HydrophobicContact CB-CB 4.34Å; H308-A312 PolarHBondContact O-N 3.44Å; A309-A312 PolarHBondContact O-N 2.92Å; A310-A312 VanDerWaalsContact C-N 3.29Å; A310-A312 PolarHBondContact O-N 3.5Å; A312-L316 VanDerWaalsContact O-CB 3.3Å; A312-L316 WeakPolarHBondContact O-CB 3.44Å; A312-L316 PolarHBondContact O-N 3.42Å; A312-F328 HydrophobicContact CB-CB 3.94Å
313Y98.9Very high98.5Very high5 Ų531.2 Ų31.22%0.0218%0.182CC..Hα-helixtrans-63.1-44.5176170.6-95.2000111.5E45 V48 T294 L298 L301 A309 A310 A315 L316 R317 F328E45-Y313 PolarHBondContact OE2-OH 3.41Å; V48-Y313 HydrophobicContact CG1-CD2 4.14Å; V48-Y313 HydrophobicContact CG1-CE2 4.18Å; T294-Y313 HydrophobicContact CG2-CD1 3.46Å; T294-Y313 VanDerWaalsContact CG2-CD1 3.46Å; T294-Y313 HydrophobicContact CG2-CE1 4.07Å; L298-Y313 HydrophobicContact CD1-CD1 4.01Å; L298-Y313 HydrophobicContact CD1-CG 4.09Å; L298-Y313 HydrophobicContact CD2-CD1 3.73Å; L298-Y313 HydrophobicContact CD2-CD2 3.73Å; L298-Y313 HydrophobicContact CD2-CE1 3.75Å; L298-Y313 HydrophobicContact CD2-CE2 3.75Å; L298-Y313 HydrophobicContact CD2-CG 3.7Å; L298-Y313 HydrophobicContact CG-CD1 3.85Å; L298-Y313 HydrophobicContact CG-CE1 4Å; L298-Y313 HydrophobicContact CG-CG 4.18Å; L301-Y313 WeakPolarHBondContact CD1-OH 3.19Å; A309-Y313 PolarHBondContact O-N 2.98Å; A310-Y313 PolarHBondContact O-N 3.06Å; Y313-A315 PolarHBondContact O-N 2.84Å; Y313-L316 WeakPolarHBondContact O-CB 3.44Å; Y313-L316 PolarHBondContact O-N 3.19Å; Y313-L316 VanDerWaalsContact O-N 3.14Å; Y313-R317 HydrophobicContact CE1-CB 4.28Å; Y313-R317 HydrophobicContact CE1-CG 4.45Å; Y313-R317 HydrophobicContact CE2-CB 4.36Å; Y313-R317 WeakPolarHBondContact O-CB 3.33Å; Y313-R317 PolarHBondContact O-N 3.29Å; Y313-F328 AromaticContact CD2-CD1 3.87Å; Y313-F328 HydrophobicContact CD2-CD1 3.87Å; Y313-F328 AromaticContact CD2-CE1 3.65Å; Y313-F328 HydrophobicContact CD2-CE1 3.65Å; Y313-F328 HydrophobicContact CD2-CZ 4.27Å; Y313-F328 HydrophobicContact CG-CD1 4.42Å; Y313-F328 HydrophobicContact CG-CE1 4.29Å
314R98.9Very high98.5Very high35 Ų3530.4 Ų30.413%0.13218%0.179CC..Hα-helixtrans-55.4-53.6176.5-178.371.6-85.9151.2-3.6110.9V286 T290 T294 E297 A310 L316 R317 D318V286-R314 HydrophobicContact CG1-CB 4.32Å; V286-R314 HydrophobicContact CG1-CG 4.11Å; V286-R314 HydrophobicContact CG2-CB 4.18Å; V286-R314 HydrophobicContact CG2-CG 4.07Å; T290-R314 HydrophobicContact CG2-CG 3.82Å; T294-R314 HydrophobicContact CG2-CB 4.1Å; T294-R314 WeakPolarHBondContact OG1-CD 3.43Å; E297-R314 IonicContact OE1-NH1 3.84Å; E297-R314 PolarHBondContact OE1-NH1 2.92Å; E297-R314 IonicContact OE2-NH1 2.76Å; E297-R314 PolarHBondContact OE2-NH1 2.89Å; A310-R314 WeakPolarHBondContact O-CB 3.36Å; A310-R314 PolarHBondContact O-N 3.5Å; R314-L316 VanDerWaalsContact C-N 3.25Å; R314-L316 PolarHBondContact O-N 3.48Å; R314-R317 PolarHBondContact O-N 3.37Å; R314-D318 IonicContact CZ-OD1 3.96Å; R314-D318 IonicContact CZ-OD2 2.82Å; R314-D318 VanDerWaalsContact NE-CG 3.33Å; R314-D318 IonicContact NE-OD1 2.91Å; R314-D318 PolarHBondContact NE-OD1 2.89Å; R314-D318 IonicContact NE-OD2 3.18Å; R314-D318 PolarHBondContact NE-OD2 2.84Å; R314-D318 IonicContact NH2-OD1 3.51Å; R314-D318 PolarHBondContact NH2-OD1 3.27Å; R314-D318 IonicContact NH2-OD2 2.9Å; R314-D318 VanDerWaalsContact O-CG 3.31Å; R314-D318 PolarHBondContact O-N 2.9Å; R314-D318 VanDerWaalsContact O-N 3.11Å
315A98.9Very high98.5Very high1 Ų128.8 Ų28.81%0.00817%0.166CC..Hα-helixtrans-59.5-36.5178.700000112.7I225 A227 A284 V311 Y313 Q319I225-A315 HydrophobicContact CG2-CB 3.9Å; A227-A315 HydrophobicContact CB-CB 3.59Å; A284-A315 HydrophobicContact CB-CB 3.59Å; V311-A315 PolarHBondContact O-N 2.8Å; Y313-A315 PolarHBondContact O-N 2.84Å; A315-Q319 WeakPolarHBondContact O-CB 3.5Å; A315-Q319 VanDerWaalsContact O-CG 3.32Å; A315-Q319 WeakPolarHBondContact O-CG 3.2Å
316L98.9Very high98.6Very high0 Ų028.6 Ų28.60%017%0.165CC..Hα-helixtrans-67.9-55.2176.2-179.162.4000111.5V48 V197 I225 A312 Y313 R314 D318 Q319 L320 F328V48-L316 HydrophobicContact CG1-CD2 3.92Å; V197-L316 HydrophobicContact CB-CD1 4.2Å; V197-L316 HydrophobicContact CG1-CD1 3.8Å; I225-L316 HydrophobicContact CD1-CD1 4.09Å; A312-L316 VanDerWaalsContact O-CB 3.3Å; A312-L316 WeakPolarHBondContact O-CB 3.44Å; A312-L316 PolarHBondContact O-N 3.42Å; Y313-L316 WeakPolarHBondContact O-CB 3.44Å; Y313-L316 PolarHBondContact O-N 3.19Å; Y313-L316 VanDerWaalsContact O-N 3.14Å; R314-L316 VanDerWaalsContact C-N 3.25Å; R314-L316 PolarHBondContact O-N 3.48Å; L316-D318 PolarHBondContact O-N 3.04Å; L316-Q319 CarbonylContact O-C 3.47Å; L316-Q319 PolarHBondContact O-N 3.43Å; L316-L320 HydrophobicContact CD1-CD1 4.19Å; L316-L320 WeakPolarHBondContact O-CB 3.33Å; L316-L320 PolarHBondContact O-N 3.1Å; L316-F328 HydrophobicContact CD2-CB 3.99Å; L316-F328 HydrophobicContact CD2-CD1 4.15Å
317R98.7Very high98.6Very high62 Ų6228.6 Ų28.623%0.23417%0.165CC..Hα-helixtrans-59.6-36.9-173.8-171.667.5-92.1174.9-1.7111.5E45 D47 Y313 R314 Q319E45-R317 IonicContact OE1-NH1 2.83Å; E45-R317 VanDerWaalsContact OE2-CD 3.3Å; E45-R317 WeakPolarHBondContact OE2-CD 3.11Å; E45-R317 IonicContact OE2-CZ 2.97Å; E45-R317 IonicContact OE2-NE 3.36Å; E45-R317 IonicContact OE2-NH1 3.02Å; E45-R317 PolarHBondContact OE2-NH1 2.82Å; D47-R317 IonicContact OD1-CZ 3.37Å; D47-R317 IonicContact OD1-NH1 3.98Å; D47-R317 PolarHBondContact OD1-NH1 3.24Å; D47-R317 IonicContact OD1-NH2 3.78Å; D47-R317 IonicContact OD2-CZ 2.59Å; D47-R317 IonicContact OD2-NH1 2.8Å; D47-R317 PolarHBondContact OD2-NH1 3.15Å; D47-R317 IonicContact OD2-NH2 2.88Å; D47-R317 PolarHBondContact OD2-NH2 3.18Å; Y313-R317 HydrophobicContact CE1-CB 4.28Å; Y313-R317 HydrophobicContact CE1-CG 4.45Å; Y313-R317 HydrophobicContact CE2-CB 4.36Å; Y313-R317 WeakPolarHBondContact O-CB 3.33Å; Y313-R317 PolarHBondContact O-N 3.29Å; R314-R317 PolarHBondContact O-N 3.37Å; R317-Q319 VanDerWaalsContact C-N 3.3Å; R317-Q319 PolarHBondContact O-N 2.84Å
318D98.5Very high98.6Very high106 Ų10628.6 Ų28.657%0.56717%0.165SC*.THydrogen-bonded Turntrans-73.2-18.1177.3-67.6-26.6000114.1R314 L316R314-D318 IonicContact CZ-OD1 3.96Å; R314-D318 IonicContact CZ-OD2 2.82Å; R314-D318 VanDerWaalsContact NE-CG 3.33Å; R314-D318 IonicContact NE-OD1 2.91Å; R314-D318 PolarHBondContact NE-OD1 2.89Å; R314-D318 IonicContact NE-OD2 3.18Å; R314-D318 PolarHBondContact NE-OD2 2.84Å; R314-D318 IonicContact NH2-OD1 3.51Å; R314-D318 PolarHBondContact NH2-OD1 3.27Å; R314-D318 IonicContact NH2-OD2 2.9Å; R314-D318 VanDerWaalsContact O-CG 3.31Å; R314-D318 PolarHBondContact O-N 2.9Å; R314-D318 VanDerWaalsContact O-N 3.11Å; L316-D318 PolarHBondContact O-N 3.04Å
319Q98.6Very high98.6Very high52 Ų5228.6 Ų28.624%0.24317%0.165CC..THydrogen-bonded Turntrans-1201.6-174.9-62.1-177.240.900113.7R223 I225 Y283 A315 L316 R317 N321R223-Q319 PolarHBondContact NH2-O 3.43Å; I225-Q319 HydrophobicContact CD1-CB 3.82Å; Y283-Q319 PolarHBondContact O-NE2 2.85Å; A315-Q319 WeakPolarHBondContact O-CB 3.5Å; A315-Q319 VanDerWaalsContact O-CG 3.32Å; A315-Q319 WeakPolarHBondContact O-CG 3.2Å; L316-Q319 CarbonylContact O-C 3.47Å; L316-Q319 PolarHBondContact O-N 3.43Å; R317-Q319 VanDerWaalsContact C-N 3.3Å; R317-Q319 PolarHBondContact O-N 2.84Å; Q319-N321 PolarHBondContact O-N 3.44Å
320L98.5Very high98.6Very high15 Ų1528.5 Ų28.58%0.07917%0.165CC..  trans-82.4113.3-179-167.168.5000109.7D47 V48 V197 L316 E324D47-L320 HydrophobicContact CB-CD2 4.32Å; D47-L320 WeakPolarHBondContact OD2-CD2 3.29Å; V48-L320 HydrophobicContact CG2-CD2 3.74Å; V197-L320 HydrophobicContact CB-CD1 4Å; V197-L320 HydrophobicContact CG2-CD1 4.07Å; L316-L320 HydrophobicContact CD1-CD1 4.19Å; L316-L320 WeakPolarHBondContact O-CB 3.33Å; L316-L320 PolarHBondContact O-N 3.1Å; L320-E324 HydrophobicContact CD1-CB 3.54Å; L320-E324 HydrophobicContact CG-CB 4.18Å
321N98.2Very high98.6Very high83 Ų8328.8 Ų28.844%0.44417%0.167SC..  trans-83.1155.2-178.7-56.6-68.6000111.2R223 Q319 G323 E324R223-N321 PolarHBondContact NH2-ND2 3.19Å; Q319-N321 PolarHBondContact O-N 3.44Å; N321-G323 PolarHBondContact O-N 3.45Å; N321-E324 HydrophobicContact CB-CG 4.15Å; N321-E324 WeakPolarHBondContact CB-OE2 3.38Å; N321-E324 PolarHBondContact N-OE2 3.14Å; N321-E324 PolarHBondContact ND2-OE1 3.02Å; N321-E324 PolarHBondContact ND2-OE2 3.36Å; N321-E324 VanDerWaalsContact O-CB 3.28Å; N321-E324 WeakPolarHBondContact O-CB 3.36Å; N321-E324 PolarHBondContact O-N 3.33Å
322P97.6Very high98.5Very high137 Ų13728.8 Ų28.889%0.8917%0.167SC*.THydrogen-bonded Turntrans-52.1130.6173.6-27.135.1000112.6E324P322-E324 VanDerWaalsContact C-N 3.33Å
323G96.8Very high98.5Very high67 Ų6731.1 Ų31.169%0.69118%0.177SC*.THydrogen-bonded Turntrans85.1-2.9-177.300000115Q195 N321Q195-G323 WeakPolarHBondContact CB-O 3.43Å; Q195-G323 WeakPolarHBondContact CG-O 3.42Å; N321-G323 PolarHBondContact O-N 3.45Å
324E98.3Very high98.5Very high8 Ų831.2 Ų31.24%0.03718%0.179CC..  trans-84.2153.4168-61-176.514800111.3V197 K222 R223 L320 N321 P322V197-E324 HydrophobicContact CG2-CB 4.03Å; V197-E324 HydrophobicContact CG2-CG 4.19Å; K222-E324 HydrophobicContact CD-CG 4.34Å; K222-E324 WeakPolarHBondContact CD-OE1 3.17Å; K222-E324 WeakPolarHBondContact CE-OE1 3.43Å; K222-E324 IonicContact NZ-OE1 2.75Å; K222-E324 PolarHBondContact NZ-OE1 3.09Å; R223-E324 IonicContact CZ-OE1 3.24Å; R223-E324 IonicContact CZ-OE2 2.71Å; R223-E324 IonicContact NH1-OE1 3.34Å; R223-E324 PolarHBondContact NH1-OE1 3.36Å; R223-E324 IonicContact NH1-OE2 3.86Å; R223-E324 IonicContact NH2-OE1 3.7Å; R223-E324 IonicContact NH2-OE2 3.44Å; R223-E324 PolarHBondContact NH2-OE2 3.45Å; L320-E324 HydrophobicContact CD1-CB 3.54Å; L320-E324 HydrophobicContact CG-CB 4.18Å; N321-E324 HydrophobicContact CB-CG 4.15Å; N321-E324 WeakPolarHBondContact CB-OE2 3.38Å; N321-E324 PolarHBondContact N-OE2 3.14Å; N321-E324 PolarHBondContact ND2-OE1 3.02Å; N321-E324 PolarHBondContact ND2-OE2 3.36Å; N321-E324 VanDerWaalsContact O-CB 3.28Å; N321-E324 WeakPolarHBondContact O-CB 3.36Å; N321-E324 PolarHBondContact O-N 3.33Å; P322-E324 VanDerWaalsContact C-N 3.33Å
325Y98.6Very high98.4Very high24 Ų2429.5 Ų29.59%0.09417%0.172CC..EExtended strand (participates in β ladder)trans-113125.6167.8-173.9-93.7000108.7D47 G49 L188 A192 Q195 L196 V197 L327D47-Y325 CarbonylContact O-C 3.13Å; D47-Y325 WeakPolarHBondContact O-CA 3.39Å; D47-Y325 WeakPolarHBondContact O-CD2 3.44Å; G49-Y325 PolarHBondContact N-OH 3.45Å; L188-Y325 HydrophobicContact CD1-CD1 3.89Å; L188-Y325 HydrophobicContact CD1-CE1 3.92Å; L188-Y325 HydrophobicContact CD2-CD1 4.25Å; L188-Y325 HydrophobicContact CD2-CE1 3.49Å; L188-Y325 VanDerWaalsContact CD2-CE1 3.49Å; L188-Y325 HydrophobicContact CG-CE1 4.35Å; A192-Y325 HydrophobicContact CB-CD1 3.94Å; A192-Y325 HydrophobicContact CB-CD2 4.13Å; A192-Y325 HydrophobicContact CB-CG 3.66Å; Q195-Y325 PolarHBondContact O-N 3Å; L196-Y325 CarbonylContact C-O 3.52Å; L196-Y325 WeakPolarHBondContact CA-O 3.3Å; L196-Y325 HydrophobicContact CD1-CD1 4.16Å; V197-Y325 PolarHBondContact N-O 3.36Å; Y325-L327 HydrophobicContact CE1-CD2 3.99Å; Y325-L327 HydrophobicContact CE1-CG 4.15Å
326G98.8Very high98.3Very high0 Ų029.5 Ų29.50%017%0.172CC..EExtended strand (participates in β ladder)trans-94.4138-177.500000112.6D47 V48 G49 V197D47-G326 PolarHBondContact O-N 3.41Å; V48-G326 CarbonylContact C-O 3.53Å; V48-G326 WeakPolarHBondContact CA-O 3.3Å; G49-G326 PolarHBondContact N-O 3.05Å; V197-G326 CarbonylContact O-C 3.56Å; V197-G326 WeakPolarHBondContact O-CA 3.3Å
327L98.8Very high98.2Very high2 Ų229.8 Ų29.81%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-121.2131.1162.2-79.9-176.6000109.7V41 G49 A184 L188 L196 V197 V198 S199 Y325V41-L327 HydrophobicContact CG1-CD2 3.68Å; V41-L327 HydrophobicContact CG2-CD2 4.47Å; G49-L327 VanDerWaalsContact O-CA 3.32Å; G49-L327 WeakPolarHBondContact O-CA 3.49Å; G49-L327 WeakPolarHBondContact O-CD2 3.25Å; A184-L327 HydrophobicContact CB-CD1 3.88Å; L188-L327 HydrophobicContact CD1-CD1 3.89Å; L188-L327 HydrophobicContact CD1-CG 4.3Å; L196-L327 HydrophobicContact CD1-CB 4.08Å; L196-L327 HydrophobicContact CD1-CD1 3.84Å; L196-L327 HydrophobicContact CD1-CG 3.74Å; L196-L327 HydrophobicContact CD2-CD1 4.43Å; V197-L327 PolarHBondContact O-N 2.86Å; V198-L327 CarbonylContact C-O 3.58Å; V198-L327 VanDerWaalsContact CA-O 3.32Å; V198-L327 WeakPolarHBondContact CA-O 3.49Å; V198-L327 HydrophobicContact CG2-CB 4.42Å; S199-L327 PolarHBondContact N-O 3.08Å; Y325-L327 HydrophobicContact CE1-CD2 3.99Å; Y325-L327 HydrophobicContact CE1-CG 4.15Å
328F98.9Very high98.1Very high0 Ų029 Ų290%017%0.172CC..EExtended strand (participates in β ladder)trans-113.9151.6164.468.9-84.5000110V44 V48 G49 C50 L51 S199 L298 Y303 A309 A312 Y313 L316V44-F328 HydrophobicContact CB-CE1 4.34Å; V44-F328 HydrophobicContact CG1-CE1 4.48Å; V44-F328 HydrophobicContact CG2-CE1 3.86Å; V44-F328 HydrophobicContact CG2-CZ 3.94Å; V48-F328 HydrophobicContact CG1-CD1 3.77Å; V48-F328 HydrophobicContact CG1-CE1 3.82Å; G49-F328 WeakPolarHBondContact O-CD1 3.28Å; G49-F328 PolarHBondContact O-N 3.26Å; G49-F328 VanDerWaalsContact O-N 3.08Å; C50-F328 CarbonylContact C-O 3.59Å; C50-F328 WeakPolarHBondContact CA-O 3.41Å; C50-F328 HydrophobicContact CB-CD1 4.5Å; C50-F328 HydrophobicContact CB-CD2 4.45Å; C50-F328 HydrophobicContact CB-CE1 3.87Å; C50-F328 HydrophobicContact CB-CE2 3.8Å; C50-F328 HydrophobicContact CB-CZ 3.49Å; C50-F328 VanDerWaalsContact CB-CZ 3.49Å; C50-F328 WeakPolarHBondContact SG-CE2 3.25Å; L51-F328 PolarHBondContact N-O 3.09Å; S199-F328 WeakPolarHBondContact O-CA 3.34Å; L298-F328 HydrophobicContact CD2-CZ 4.43Å; Y303-F328 HydrophobicContact CD1-CZ 4.35Å; Y303-F328 HydrophobicContact CE1-CE2 4.42Å; Y303-F328 HydrophobicContact CE1-CZ 4.07Å; A309-F328 HydrophobicContact CB-CD2 4.21Å; A309-F328 HydrophobicContact CB-CE2 4.08Å; A312-F328 HydrophobicContact CB-CB 3.94Å; Y313-F328 AromaticContact CD2-CD1 3.87Å; Y313-F328 HydrophobicContact CD2-CD1 3.87Å; Y313-F328 AromaticContact CD2-CE1 3.65Å; Y313-F328 HydrophobicContact CD2-CE1 3.65Å; Y313-F328 HydrophobicContact CD2-CZ 4.27Å; Y313-F328 HydrophobicContact CG-CD1 4.42Å; Y313-F328 HydrophobicContact CG-CE1 4.29Å; L316-F328 HydrophobicContact CD2-CB 3.99Å; L316-F328 HydrophobicContact CD2-CD1 4.15Å
329L98.9Very high98Very high1 Ų130.3 Ų30.31%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-91.2119.6-177.3-50.9-166.7000111.3L51 L53 Y180 Y181 V198 S199 V200 D207 T331L51-L329 HydrophobicContact CB-CD2 3.78Å; L51-L329 HydrophobicContact CD2-CD2 3.69Å; L51-L329 HydrophobicContact CG-CD2 4.25Å; L53-L329 HydrophobicContact CD1-CB 4.35Å; L53-L329 HydrophobicContact CD1-CD1 4.19Å; Y180-L329 HydrophobicContact CE2-CD1 4.38Å; Y181-L329 HydrophobicContact CE1-CD1 4.3Å; Y181-L329 WeakPolarHBondContact OH-CD1 3.39Å; V198-L329 HydrophobicContact CG1-CD2 4.23Å; S199-L329 PolarHBondContact O-N 2.91Å; V200-L329 HydrophobicContact CB-CD1 4.41Å; V200-L329 HydrophobicContact CG1-CD1 3.98Å; V200-L329 HydrophobicContact CG2-CD1 4.01Å; V200-L329 HydrophobicContact CG2-CG 4.35Å; D207-L329 WeakPolarHBondContact OD2-CD1 3.45Å; L329-T331 HydrophobicContact CB-CG2 4.03Å; L329-T331 PolarHBondContact O-N 2.69Å; L329-T331 VanDerWaalsContact O-N 3.11Å
330G98.8Very high97.8Very high1 Ų129.8 Ų29.81%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-76.386.4166.600000109.9L51 L53 F54L51-G330 PolarHBondContact O-N 2.86Å; L53-G330 WeakPolarHBondContact CB-O 3.06Å; L53-G330 PolarHBondContact N-O 2.98Å; F54-G330 WeakPolarHBondContact CD1-O 3.28Å
331T98.6Very high97.8Very high6 Ų629.2 Ų29.24%0.03717%0.173CC..  trans-78-21.3-168.356.90000115A60 F61 P201 L329A60-T331 VanDerWaalsContact CA-O 3.29Å; A60-T331 WeakPolarHBondContact CA-O 3.42Å; F61-T331 HydrophobicContact CD1-CG2 4.02Å; F61-T331 HydrophobicContact CE1-CG2 4.28Å; F61-T331 PolarHBondContact N-O 2.71Å; P201-T331 HydrophobicContact CG-CG2 3.51Å; L329-T331 HydrophobicContact CB-CG2 4.03Å; L329-T331 PolarHBondContact O-N 2.69Å; L329-T331 VanDerWaalsContact O-N 3.11Å
332A98.2Very high97.7Very high0 Ų027.4 Ų27.40%016%0.162CC..BIsolated β-bridgetrans-148.3153.317800000110.4F54 L59 A60 E306 K336 F337F54-A332 WeakPolarHBondContact CD1-O 3.46Å; L59-A332 WeakPolarHBondContact O-CA 3.45Å; A60-A332 HydrophobicContact CB-CB 4.4Å; E306-A332 WeakPolarHBondContact CG-O 3.39Å; A332-K336 HydrophobicContact CB-CD 4.24Å; A332-F337 HydrophobicContact CB-CE2 3.74Å; A332-F337 HydrophobicContact CB-CZ 4.21Å
333H98.5Very high97.7Very high48 Ų4824.9 Ų24.922%0.22215%0.153CC..  trans-73.1139177-171-47.7000110F54 L59 A335 K336F54-H333 HydrophobicContact CB-CB 3.88Å; F54-H333 HydrophobicContact CD2-CB 3.86Å; F54-H333 AromaticContact CD2-CD2 3.85Å; F54-H333 HydrophobicContact CG-CB 3.87Å; L59-H333 HydrophobicContact CB-CB 3.63Å; L59-H333 HydrophobicContact CD2-CB 3.77Å; L59-H333 HydrophobicContact CG-CB 4.34Å; L59-H333 PolarHBondContact O-N 2.77Å; H333-A335 PolarHBondContact ND1-N 3.05Å; H333-A335 VanDerWaalsContact ND1-N 3.14Å; H333-A335 PolarHBondContact O-N 2.83Å; H333-K336 WeakPolarHBondContact O-CB 3.45Å; H333-K336 WeakPolarHBondContact O-CG 3.42Å; H333-K336 PolarHBondContact O-N 3.21Å
334P98.1Very high97.8Very high7 Ų722 Ų225%0.04512%0.122CC..G310 helixtrans-52.3-32.3178.8-29.432.8000116.2T304 E306 K336 F337 V341 L349T304-P334 HydrophobicContact CG2-CB 4.32Å; T304-P334 HydrophobicContact CG2-CG 4.32Å; E306-P334 HydrophobicContact CB-CB 4.04Å; E306-P334 HydrophobicContact CB-CG 4.06Å; E306-P334 HydrophobicContact CG-CG 4.18Å; P334-K336 PolarHBondContact O-N 3Å; P334-K336 VanDerWaalsContact O-N 3.14Å; P334-F337 CarbonylContact O-C 3.55Å; P334-F337 PolarHBondContact O-N 2.83Å; P334-V341 HydrophobicContact CB-CG1 4.39Å; P334-V341 HydrophobicContact CB-CG2 4.22Å; P334-L349 HydrophobicContact CB-CD2 4.14Å
335A97.6Very high97.8Very high0 Ų022.3 Ų22.30%012%0.123CC..G310 helixtrans-62.4-21.8178.700000113.6L120 H333 F337 K338 L349 L351 P352 L355L120-A335 WeakPolarHBondContact CD1-O 3.43Å; H333-A335 PolarHBondContact ND1-N 3.05Å; H333-A335 VanDerWaalsContact ND1-N 3.14Å; H333-A335 PolarHBondContact O-N 2.83Å; A335-F337 PolarHBondContact O-N 3.1Å; A335-K338 PolarHBondContact O-N 2.88Å; A335-L349 HydrophobicContact CB-CD2 4.15Å; A335-L351 HydrophobicContact CB-CD2 4.41Å; A335-P352 HydrophobicContact CB-CG 3.86Å; A335-L355 HydrophobicContact CB-CD1 3.79Å; A335-L355 WeakPolarHBondContact O-CD1 3.48Å
336K97.3Very high97.7Very high0 Ų024.5 Ų24.50%015%0.153CC..G310 helixtrans-65.3-17.9172.8-59.1-164.481.6172.10112.9T58 L59 D91 S118 A332 H333 P334 L355T58-K336 WeakPolarHBondContact O-CE 3.43Å; T58-K336 PolarHBondContact O-NZ 3.47Å; L59-K336 HydrophobicContact CB-CD 4.07Å; L59-K336 HydrophobicContact CB-CG 4.25Å; L59-K336 WeakPolarHBondContact O-CD 3.38Å; D91-K336 WeakPolarHBondContact OD1-CE 3.16Å; D91-K336 IonicContact OD1-NZ 3.78Å; D91-K336 PolarHBondContact OD1-NZ 2.99Å; S118-K336 PolarHBondContact OG-O 2.8Å; A332-K336 HydrophobicContact CB-CD 4.24Å; H333-K336 WeakPolarHBondContact O-CB 3.45Å; H333-K336 WeakPolarHBondContact O-CG 3.42Å; H333-K336 PolarHBondContact O-N 3.21Å; P334-K336 PolarHBondContact O-N 3Å; P334-K336 VanDerWaalsContact O-N 3.14Å; K336-L355 HydrophobicContact CG-CD1 4.19Å
337F96.9Very high97.5Very high7 Ų728.2 Ų28.23%0.03117%0.171CC..G310 helixtrans-122.132.6-179.8-48.3-75.9000111Q121 N254 E306 H308 A332 P334 A335 E339 S340 V341Q121-F337 HydrophobicContact CG-CE1 4.44Å; N254-F337 WeakPolarHBondContact OD1-CE1 3.35Å; E306-F337 HydrophobicContact CB-CD2 4.02Å; E306-F337 HydrophobicContact CG-CD2 4.26Å; E306-F337 HydrophobicContact CG-CE2 4.37Å; E306-F337 WeakPolarHBondContact OE2-CE2 3.07Å; H308-F337 AromaticContact CE1-CE1 3.41Å; H308-F337 VanDerWaalsContact CE1-CE1 3.41Å; H308-F337 WeakPolarHBondContact CE1-CE1 3.38Å; H308-F337 AromaticContact CE1-CE2 3.73Å; H308-F337 AromaticContact CE1-CZ 3.11Å; H308-F337 WeakPolarHBondContact CE1-CZ 3.14Å; H308-F337 AromaticContact ND1-CE2 3.63Å; H308-F337 AromaticContact ND1-CZ 3.5Å; H308-F337 WeakPolarHBondContact ND1-CZ 3.44Å; A332-F337 HydrophobicContact CB-CE2 3.74Å; A332-F337 HydrophobicContact CB-CZ 4.21Å; P334-F337 CarbonylContact O-C 3.55Å; P334-F337 PolarHBondContact O-N 2.83Å; A335-F337 PolarHBondContact O-N 3.1Å; F337-E339 VanDerWaalsContact C-N 3.33Å; F337-E339 PolarHBondContact O-N 2.92Å; F337-E339 VanDerWaalsContact O-N 3.16Å; F337-S340 PolarHBondContact O-N 2.92Å; F337-V341 HydrophobicContact CB-CG2 4.09Å; F337-V341 WeakPolarHBondContact O-CG2 3.42Å; F337-V341 PolarHBondContact O-N 3.12Å
338K96.3Very high97.4Very high46 Ų4633.5 Ų33.520%0.220%0.203CC..Hα-helixtrans-41.1-55-173.5-169.4-166.2-168.1-540113.1L120 A335 S340 V341 E342 L349 L351L120-K338 HydrophobicContact CD1-CB 3.64Å; L120-K338 HydrophobicContact CD1-CD 4.48Å; A335-K338 PolarHBondContact O-N 2.88Å; K338-S340 PolarHBondContact O-N 2.93Å; K338-V341 PolarHBondContact O-N 3.36Å; K338-E342 HydrophobicContact CG-CG 4.19Å; K338-E342 IonicContact NZ-OE1 2.73Å; K338-E342 PolarHBondContact NZ-OE1 2.92Å; K338-E342 IonicContact NZ-OE2 3.51Å; K338-E342 PolarHBondContact NZ-OE2 3.39Å; K338-E342 WeakPolarHBondContact O-CB 3.2Å; K338-E342 VanDerWaalsContact O-CG 3.27Å; K338-E342 WeakPolarHBondContact O-CG 3.34Å; K338-E342 PolarHBondContact O-N 3.44Å; K338-L349 WeakPolarHBondContact CE-O 3.44Å; K338-L349 PolarHBondContact NZ-O 2.72Å; K338-L351 HydrophobicContact CD-CD1 4.44Å; K338-L351 HydrophobicContact CD-CD2 3.94Å; K338-L351 HydrophobicContact CD-CG 4.05Å
339E94.9Very high97.2Very high133 Ų13335 Ų3562%0.62121%0.211SC*.Hα-helixtrans-55.2-49.7-178-63.9178.7162.600112.4F337 A343F337-E339 VanDerWaalsContact C-N 3.33Å; F337-E339 PolarHBondContact O-N 2.92Å; F337-E339 VanDerWaalsContact O-N 3.16Å; E339-A343 VanDerWaalsContact O-CB 3.29Å; E339-A343 WeakPolarHBondContact O-CB 3.5Å; E339-A343 PolarHBondContact O-N 2.74Å; E339-A343 VanDerWaalsContact O-N 3.12Å
340S95.1Very high97Very high41 Ų4141.7 Ų41.729%0.28725%0.247SC..Hα-helixtrans-66.2-45.7178.2-55.90000111.6F337 K338 A343 I344F337-S340 PolarHBondContact O-N 2.92Å; K338-S340 PolarHBondContact O-N 2.93Å; S340-A343 PolarHBondContact O-N 3.22Å; S340-I344 VanDerWaalsContact O-CB 3.32Å; S340-I344 WeakPolarHBondContact O-CB 2.92Å; S340-I344 VanDerWaalsContact O-CD1 3.24Å; S340-I344 WeakPolarHBondContact O-CD1 3.33Å; S340-I344 WeakPolarHBondContact O-CG1 3.37Å; S340-I344 PolarHBondContact O-N 3.31Å
341V97.7Very high96.8Very high2 Ų244.2 Ų44.21%0.01226%0.26CS..Hα-helixtrans-63.5-46.3-177.4174.90000111M295 E306 P334 F337 K338 I344 L345 L349M295-V341 HydrophobicContact CE-CB 4.35Å; M295-V341 HydrophobicContact CE-CG1 4.46Å; M295-V341 HydrophobicContact CE-CG2 3.88Å; E306-V341 HydrophobicContact CB-CG2 4.34Å; P334-V341 HydrophobicContact CB-CG1 4.39Å; P334-V341 HydrophobicContact CB-CG2 4.22Å; F337-V341 HydrophobicContact CB-CG2 4.09Å; F337-V341 WeakPolarHBondContact O-CG2 3.42Å; F337-V341 PolarHBondContact O-N 3.12Å; K338-V341 PolarHBondContact O-N 3.36Å; V341-I344 PolarHBondContact O-N 3.41Å; V341-L345 HydrophobicContact CG1-CD1 3.69Å; V341-L345 HydrophobicContact CG1-CG 4.25Å; V341-L345 VanDerWaalsContact O-CB 3.29Å; V341-L345 WeakPolarHBondContact O-CB 3.25Å; V341-L345 WeakPolarHBondContact O-CG 3.43Å; V341-L345 PolarHBondContact O-N 2.79Å; V341-L349 HydrophobicContact CB-CD2 4.41Å; V341-L349 HydrophobicContact CG1-CD2 4.02Å
342E97.9Very high96.7Very high45 Ų4545.2 Ų45.221%0.2127%0.267CS..Hα-helixtrans-63.3-44.3177.7-66.9-172.3134.500111.9K338 I344 G346 E347 T348 L349K338-E342 HydrophobicContact CG-CG 4.19Å; K338-E342 IonicContact NZ-OE1 2.73Å; K338-E342 PolarHBondContact NZ-OE1 2.92Å; K338-E342 IonicContact NZ-OE2 3.51Å; K338-E342 PolarHBondContact NZ-OE2 3.39Å; K338-E342 WeakPolarHBondContact O-CB 3.2Å; K338-E342 VanDerWaalsContact O-CG 3.27Å; K338-E342 WeakPolarHBondContact O-CG 3.34Å; K338-E342 PolarHBondContact O-N 3.44Å; E342-I344 VanDerWaalsContact C-N 3.33Å; E342-I344 PolarHBondContact O-N 3.39Å; E342-G346 WeakPolarHBondContact O-CA 3.31Å; E342-G346 PolarHBondContact O-N 2.95Å; E342-E347 WeakPolarHBondContact CA-O 3.35Å; E342-E347 WeakPolarHBondContact CB-O 3.45Å; E342-E347 VanDerWaalsContact CG-O 3.28Å; E342-E347 WeakPolarHBondContact CG-O 3.25Å; E342-T348 WeakPolarHBondContact OE1-CA 3.35Å; E342-T348 WeakPolarHBondContact OE1-CG2 3.42Å; E342-L349 HydrophobicContact CG-CB 4Å; E342-L349 PolarHBondContact OE1-N 3.03Å
343A97.5Very high96.6Very high84 Ų8452.7 Ų52.769%0.69430%0.299SS*.Hα-helixtrans-64.4-37.3178.600000112.5E339 S340E339-A343 VanDerWaalsContact O-CB 3.29Å; E339-A343 WeakPolarHBondContact O-CB 3.5Å; E339-A343 PolarHBondContact O-N 2.74Å; E339-A343 VanDerWaalsContact O-N 3.12Å; S340-A343 PolarHBondContact O-N 3.22Å
344I98.1Very high96.5Very high8 Ų853.8 Ų53.84%0.04130%0.304CS..Hα-helixtrans-76.3-44.2-178.2-67.5164.1000111.4L252 Q292 M295 R296 S340 V341 E342L252-I344 HydrophobicContact CD1-CD1 4.05Å; Q292-I344 HydrophobicContact CB-CG1 4.5Å; Q292-I344 HydrophobicContact CB-CG2 4.08Å; Q292-I344 HydrophobicContact CG-CD1 3.76Å; Q292-I344 HydrophobicContact CG-CG1 3.84Å; Q292-I344 HydrophobicContact CG-CG2 4.3Å; M295-I344 HydrophobicContact CB-CG2 4Å; M295-I344 HydrophobicContact CE-CB 4.2Å; M295-I344 HydrophobicContact CE-CD1 3.88Å; M295-I344 HydrophobicContact CE-CG2 4.08Å; M295-I344 HydrophobicContact SD-CD1 3.76Å; M295-I344 HydrophobicContact SD-CG2 4.25Å; R296-I344 HydrophobicContact CG-CG2 4.39Å; R296-I344 PolarHBondContact NE-O 3.03Å; R296-I344 PolarHBondContact NH2-O 2.94Å; S340-I344 VanDerWaalsContact O-CB 3.32Å; S340-I344 WeakPolarHBondContact O-CB 2.92Å; S340-I344 VanDerWaalsContact O-CD1 3.24Å; S340-I344 WeakPolarHBondContact O-CD1 3.33Å; S340-I344 WeakPolarHBondContact O-CG1 3.37Å; S340-I344 PolarHBondContact O-N 3.31Å; V341-I344 PolarHBondContact O-N 3.41Å; E342-I344 VanDerWaalsContact C-N 3.33Å; E342-I344 PolarHBondContact O-N 3.39Å
345L98.1Very high96.4Very high13 Ų1353.6 Ų53.67%0.06830%0.303CS..Hα-helixtrans-88.8-17.7-174.3-61.3-173.1000113.6M295 R296 K299 T304 V341 E347M295-L345 HydrophobicContact CB-CD2 4.08Å; M295-L345 WeakPolarHBondContact O-CD2 3.3Å; R296-L345 HydrophobicContact CG-CD2 4.44Å; K299-L345 HydrophobicContact CB-CD2 3.97Å; K299-L345 HydrophobicContact CD-CB 3.96Å; K299-L345 HydrophobicContact CD-CD1 4.32Å; K299-L345 HydrophobicContact CD-CD2 3.91Å; K299-L345 HydrophobicContact CD-CG 4.28Å; K299-L345 PolarHBondContact NZ-O 2.86Å; T304-L345 HydrophobicContact CG2-CD1 4.14Å; V341-L345 HydrophobicContact CG1-CD1 3.69Å; V341-L345 HydrophobicContact CG1-CG 4.25Å; V341-L345 VanDerWaalsContact O-CB 3.29Å; V341-L345 WeakPolarHBondContact O-CB 3.25Å; V341-L345 WeakPolarHBondContact O-CG 3.43Å; V341-L345 PolarHBondContact O-N 2.79Å; L345-E347 VanDerWaalsContact C-N 3.34Å; L345-E347 HydrophobicContact CB-CG 4.24Å
346G97.1Very high96.4Very high70 Ų7055.9 Ų55.972%0.72232%0.322SS*.THydrogen-bonded Turntrans68.430.3-179.700000113.7E342E342-G346 WeakPolarHBondContact O-CA 3.31Å; E342-G346 PolarHBondContact O-N 2.95Å
347E95.3Very high96.4Very high78 Ų7860.8 Ų60.836%0.36434%0.344SS..SBendtrans-137.2157.1176.773.1-173.3101.400111.2K299 E342 L345K299-E347 VanDerWaalsContact CD-OE1 3.25Å; K299-E347 WeakPolarHBondContact CD-OE1 3.28Å; K299-E347 WeakPolarHBondContact CE-OE1 3.34Å; K299-E347 IonicContact NZ-OE1 2.65Å; K299-E347 PolarHBondContact NZ-OE1 3.01Å; E342-E347 WeakPolarHBondContact CA-O 3.35Å; E342-E347 WeakPolarHBondContact CB-O 3.45Å; E342-E347 VanDerWaalsContact CG-O 3.28Å; E342-E347 WeakPolarHBondContact CG-O 3.25Å; L345-E347 VanDerWaalsContact C-N 3.34Å; L345-E347 HydrophobicContact CB-CG 4.24Å
348T95.3Very high96.3Very high114 Ų11462.2 Ų62.270%0.69935%0.35SS*.  trans-80.4135.2175.6-56.40000110.5E342E342-T348 WeakPolarHBondContact OE1-CA 3.35Å; E342-T348 WeakPolarHBondContact OE1-CG2 3.42Å
349L94.9Very high96.3Very high32 Ų3261 Ų6117%0.16835%0.349CS..  trans-113.7121.8176.5-174.365.1000110.2P334 A335 K338 V341 E342P334-L349 HydrophobicContact CB-CD2 4.14Å; A335-L349 HydrophobicContact CB-CD2 4.15Å; K338-L349 WeakPolarHBondContact CE-O 3.44Å; K338-L349 PolarHBondContact NZ-O 2.72Å; V341-L349 HydrophobicContact CB-CD2 4.41Å; V341-L349 HydrophobicContact CG1-CD2 4.02Å; E342-L349 HydrophobicContact CG-CB 4Å; E342-L349 PolarHBondContact OE1-N 3.03Å
350D94.3Very high96.4Very high141 Ų14162 Ų6275%0.75436%0.358SS*.PPolyproline II helixtrans-67.9147.2174.2-70.8-42000111.5P352D350-P352 WeakPolarHBondContact O-CD 3.2Å
351L95Very high96.5Very high53 Ų5363.4 Ų63.428%0.27736%0.362SS..PPolyproline II helixtrans-86.5123.6175.3-75.8176.2000110.7L120 A335 K338 L355 A356 A359L120-L351 HydrophobicContact CD1-CD2 3.64Å; L120-L351 HydrophobicContact CD2-CD1 4.42Å; L120-L351 HydrophobicContact CD2-CD2 4.36Å; A335-L351 HydrophobicContact CB-CD2 4.41Å; K338-L351 HydrophobicContact CD-CD1 4.44Å; K338-L351 HydrophobicContact CD-CD2 3.94Å; K338-L351 HydrophobicContact CD-CG 4.05Å; L351-L355 HydrophobicContact CD2-CB 4.05Å; L351-L355 HydrophobicContact CD2-CD1 4.03Å; L351-A356 HydrophobicContact CB-CB 4.14Å; L351-A359 HydrophobicContact CD1-CB 4.36Å
352P96.7Very high96.5Very high28 Ų2867.8 Ų67.818%0.18239%0.391CS..PPolyproline II helixtrans-55.5154.6165.8-25.334.9000111.7L59 A335 D350 E354 L355 A356L59-P352 HydrophobicContact CD2-CB 3.86Å; L59-P352 HydrophobicContact CD2-CG 3.79Å; A335-P352 HydrophobicContact CB-CG 3.86Å; D350-P352 WeakPolarHBondContact O-CD 3.2Å; P352-E354 WeakPolarHBondContact CB-OE2 3.47Å; P352-E354 PolarHBondContact O-N 3.39Å; P352-L355 PolarHBondContact O-N 3.41Å; P352-A356 WeakPolarHBondContact O-CB 3.44Å; P352-A356 PolarHBondContact O-N 3.1Å
353K97.2Very high96.5Very high156 Ų15669.4 Ų69.468%0.67840%0.4SS*.Hα-helixtrans-52.3-43.7-175.4-179.2-172.7171.1-169.90112.3L355 A356 E357K353-L355 PolarHBondContact O-N 3.21Å; K353-A356 PolarHBondContact O-N 3.11Å; K353-E357 WeakPolarHBondContact O-CB 3.5Å; K353-E357 WeakPolarHBondContact O-CG 3.23Å; K353-E357 PolarHBondContact O-N 3.45Å
354E95.9Very high96.5Very high72 Ų7269.5 Ų69.534%0.33639%0.388SS..Hα-helixtrans-60-32.1-177.7-61.982.9177.400112.7L59 P352L59-E354 HydrophobicContact CD1-CB 3.52Å; L59-E354 HydrophobicContact CD1-CG 4.1Å; P352-E354 WeakPolarHBondContact CB-OE2 3.47Å; P352-E354 PolarHBondContact O-N 3.39Å
355L96.4Very high96.5Very high2 Ų270.2 Ų70.21%0.0139%0.394CS..Hα-helixtrans-88-44.1174.5-69.4175000111.2L59 L120 L124 A335 K336 L351 P352 K353 E357 R358 A359L59-L355 HydrophobicContact CD1-CG 4.31Å; L59-L355 HydrophobicContact CD2-CD1 4.38Å; L120-L355 HydrophobicContact CB-CD2 4.29Å; L124-L355 HydrophobicContact CD1-CD2 4.3Å; L124-L355 HydrophobicContact CD2-CD2 4.14Å; A335-L355 HydrophobicContact CB-CD1 3.79Å; A335-L355 WeakPolarHBondContact O-CD1 3.48Å; K336-L355 HydrophobicContact CG-CD1 4.19Å; L351-L355 HydrophobicContact CD2-CB 4.05Å; L351-L355 HydrophobicContact CD2-CD1 4.03Å; P352-L355 PolarHBondContact O-N 3.41Å; K353-L355 PolarHBondContact O-N 3.21Å; L355-E357 VanDerWaalsContact C-N 3.3Å; L355-E357 PolarHBondContact O-N 3.07Å; L355-R358 PolarHBondContact O-N 3.41Å; L355-R358 VanDerWaalsContact O-N 3.12Å; L355-A359 PolarHBondContact O-N 3.23Å
356A97Very high96.5Very high48 Ų4872.2 Ų72.240%0.39740%0.403SS..Hα-helixtrans-59.3-39.2-177.400000112.4L351 P352 K353 R358L351-A356 HydrophobicContact CB-CB 4.14Å; P352-A356 WeakPolarHBondContact O-CB 3.44Å; P352-A356 PolarHBondContact O-N 3.1Å; K353-A356 PolarHBondContact O-N 3.11Å; A356-R358 PolarHBondContact O-N 3.32Å; A356-R358 VanDerWaalsContact O-N 3.15Å
357E96.1Very high96.6Very high103 Ų10373.7 Ų73.748%0.48139%0.394SS..Hα-helixtrans-67.1-14.5-179.675.2-176.3-165.500113.9K353 L355K353-E357 WeakPolarHBondContact O-CB 3.5Å; K353-E357 WeakPolarHBondContact O-CG 3.23Å; K353-E357 PolarHBondContact O-N 3.45Å; L355-E357 VanDerWaalsContact C-N 3.3Å; L355-E357 PolarHBondContact O-N 3.07Å
358R96.1Very high96.7Very high38 Ų3870.9 Ų70.914%0.14338%0.382CS..Hα-helixtrans-117.3-15.4-178.9-61.1-170.9172.7-75-13.8114.7H98 L124 T127 L128 L355 A356 D360 L361H98-R358 PolarHBondContact NE2-NE 2.87Å; L124-R358 WeakPolarHBondContact O-CD 3.42Å; T127-R358 PolarHBondContact OG1-NH1 2.97Å; L128-R358 VanDerWaalsContact CD2-NH1 3.32Å; L355-R358 PolarHBondContact O-N 3.41Å; L355-R358 VanDerWaalsContact O-N 3.12Å; A356-R358 PolarHBondContact O-N 3.32Å; A356-R358 VanDerWaalsContact O-N 3.15Å; R358-D360 PolarHBondContact O-N 3.36Å; R358-D360 VanDerWaalsContact O-N 3.11Å; R358-L361 HydrophobicContact CB-CD1 4.26Å; R358-L361 HydrophobicContact CG-CD1 4.17Å; R358-L361 PolarHBondContact O-N 3.2Å; R358-L361 VanDerWaalsContact O-N 3.08Å
359A95.9Very high96.9Very high21 Ų2168.8 Ų68.817%0.17437%0.37CS..Hα-helixtrans-55-35.3-170.900000113.1L120 K123 L351 L355L120-A359 HydrophobicContact CD2-CB 4.25Å; K123-A359 WeakPolarHBondContact CE-O 3.4Å; K123-A359 PolarHBondContact NZ-O 3.31Å; L351-A359 HydrophobicContact CD1-CB 4.36Å; L355-A359 PolarHBondContact O-N 3.23Å
360D96.4Very high97Very high154 Ų15469.8 Ų69.882%0.82438%0.383SS*.THydrogen-bonded Turntrans-98.8-3.4-177.1-61.8-46.3000114.4R358R358-D360 PolarHBondContact O-N 3.36Å; R358-D360 VanDerWaalsContact O-N 3.11Å
361L97.6Very high97.2Very high69 Ų6966.6 Ų66.636%0.36137%0.366SS..SBendtrans-70.1147.5-179.9-62.6179.1000111.4K123 T127 R358K123-L361 WeakPolarHBondContact CD-O 3.32Å; K123-L361 WeakPolarHBondContact CE-O 3.2Å; K123-L361 PolarHBondContact NZ-O 3.47Å; T127-L361 HydrophobicContact CG2-CB 3.71Å; R358-L361 HydrophobicContact CB-CD1 4.26Å; R358-L361 HydrophobicContact CG-CD1 4.17Å; R358-L361 PolarHBondContact O-N 3.2Å; R358-L361 VanDerWaalsContact O-N 3.08Å
362P97.5Very high97.3Very high95 Ų9565.3 Ų65.362%0.61736%0.358SS*.PPolyproline II helixtrans-71143.1178.529.7-34.8000111.4
363L98.1Very high97.4Very high79 Ų7967 Ų6741%0.41437%0.374SS..PPolyproline II helixtrans-70.4140.3173.7-60.8174.4000110.3E122 K123 C126 T127E122-L363 HydrophobicContact CG-CD2 3.85Å; K123-L363 HydrophobicContact CD-CD2 3.87Å; C126-L363 HydrophobicContact CB-CD2 3.86Å; T127-L363 HydrophobicContact CG2-CD2 4.4Å
364L98.2Very high97.4Very high85 Ų8561 Ų6145%0.44535%0.354SS..  trans-111.510.1180-56.7176000112.6C126C126-L364 WeakPolarHBondContact O-CB 3.47Å; C126-L364 PolarHBondContact O-N 3.49Å
365S98.3Very high97.5Very high23 Ų2357.6 Ų57.616%0.16134%0.338CS..  trans-75.5136.1-171.2-52.30000113.4Y112 C126 T134Y112-S365 VanDerWaalsContact OH-CB 3.25Å; Y112-S365 WeakPolarHBondContact OH-CB 3.47Å; Y112-S365 PolarHBondContact OH-OG 2.92Å; C126-S365 VanDerWaalsContact CB-OG 3.26Å; C126-S365 WeakPolarHBondContact CB-OG 3.4Å; C126-S365 PolarHBondContact SG-OG 3.24Å; T134-S365 WeakPolarHBondContact O-CA 3.5Å; T134-S365 VanDerWaalsContact OG1-CA 3.28Å; T134-S365 WeakPolarHBondContact OG1-CA 3.31Å; T134-S365 WeakPolarHBondContact OG1-CB 3.44Å; T134-S365 PolarHBondContact OG1-OG 2.79Å
366H98.3Very high97.6Very high56 Ų5661 Ų6126%0.25935%0.351SS..EExtended strand (participates in β ladder)trans-77.2148169-60.2-84.7000110.6E133 T134 V135 A136 L368 L378 H382E133-H366 IonicContact OE1-CD2 2.92Å; E133-H366 PolarHBondContact OE1-CD2 3.05Å; E133-H366 IonicContact OE1-CE1 3.24Å; E133-H366 IonicContact OE1-NE2 2.74Å; E133-H366 PolarHBondContact OE1-NE2 2.96Å; T134-H366 PolarHBondContact O-N 3Å; V135-H366 CarbonylContact C-O 3.55Å; V135-H366 WeakPolarHBondContact CA-O 3.3Å; A136-H366 PolarHBondContact N-O 3.49Å; H366-L368 HydrophobicContact CB-CD1 3.97Å; H366-L378 HydrophobicContact CB-CD1 3.64Å; H366-H382 AromaticContact CE1-NE2 3.66Å; H366-H382 AromaticContact NE2-NE2 3.82Å
367N98.4Very high97.7Very high100 Ų10065.7 Ų65.754%0.53536%0.362SS..EExtended strand (participates in β ladder)trans-105116.4177.3-76.7-84000110.5R114R114-N367 WeakPolarHBondContact CD-OD1 3.33Å; R114-N367 PolarHBondContact NH1-OD1 3.01Å
368L98.3Very high97.7Very high19 Ų1961.5 Ų61.510%0.09934%0.343CS..EExtended strand (participates in β ladder)trans-127.8147.9-179.3-92.174.2000111.7V135 A136 I137 D138 H366 A374 L375 L378V135-L368 HydrophobicContact CG1-CB 3.83Å; V135-L368 HydrophobicContact CG1-CD1 3.89Å; V135-L368 HydrophobicContact CG1-CD2 4.18Å; V135-L368 HydrophobicContact CG1-CG 4.17Å; A136-L368 PolarHBondContact O-N 2.82Å; A136-L368 VanDerWaalsContact O-N 3.1Å; I137-L368 CarbonylContact C-O 3.49Å; I137-L368 WeakPolarHBondContact CA-O 3.33Å; I137-L368 HydrophobicContact CD1-CB 3.98Å; D138-L368 PolarHBondContact N-O 3.28Å; H366-L368 HydrophobicContact CB-CD1 3.97Å; L368-A374 HydrophobicContact CD2-CB 4Å; L368-A374 HydrophobicContact CG-CB 4.39Å; L368-L375 HydrophobicContact CD2-CB 4.36Å; L368-L378 HydrophobicContact CD1-CD1 3.41Å; L368-L378 VanDerWaalsContact CD1-CD1 3.41Å; L368-L378 HydrophobicContact CD2-CB 4.21Å; L368-L378 HydrophobicContact CD2-CD1 4.17Å; L368-L378 HydrophobicContact CG-CD1 4.47Å
369P98Very high97.8Very high71 Ų7160 Ų6046%0.46134%0.338SS..EExtended strand (participates in β ladder)trans-66.4165.5165.630.2-33.7000110.9D371 A374P369-D371 HydrophobicContact CB-CB 4.43Å; P369-D371 HydrophobicContact CG-CB 4.04Å; P369-D371 PolarHBondContact O-N 3.43Å; P369-A374 HydrophobicContact CG-CB 4.3Å
370A97.3Very high97.8Very high53 Ų5361.8 Ų61.844%0.43834%0.343SS..SBendtrans-71.461.2169.900000111.9I137 A143I137-A370 HydrophobicContact CG2-CB 3.97Å; A143-A370 HydrophobicContact CB-CB 4.4Å
371D98Very high97.7Very high74 Ų7460 Ų6040%0.39633%0.333SS..  trans-131.1127.2-175.917458.3000111.2P369 A373 A374 L375P369-D371 HydrophobicContact CB-CB 4.43Å; P369-D371 HydrophobicContact CG-CB 4.04Å; P369-D371 PolarHBondContact O-N 3.43Å; D371-A373 WeakPolarHBondContact OD2-CB 3.42Å; D371-A373 PolarHBondContact OD2-N 3.21Å; D371-A374 HydrophobicContact CB-CB 4.27Å; D371-A374 WeakPolarHBondContact OD2-CB 3.4Å; D371-A374 PolarHBondContact OD2-N 3.04Å; D371-L375 PolarHBondContact O-N 2.98Å
372F98.2Very high97.2Very high26 Ų2660 Ų6011%0.11433%0.332CS..Hα-helixtrans-69.3-34.2-177.5-178.7-108.1000112.8L147 Q150 A151 D154 L157 L375 R376L147-F372 HydrophobicContact CD2-CB 3.96Å; Q150-F372 HydrophobicContact CB-CD2 3.97Å; Q150-F372 HydrophobicContact CB-CE2 4.24Å; Q150-F372 HydrophobicContact CB-CG 4.39Å; Q150-F372 VanDerWaalsContact CD-CB 3.44Å; Q150-F372 VanDerWaalsContact CD-CG 3.42Å; Q150-F372 HydrophobicContact CG-CB 4.3Å; Q150-F372 HydrophobicContact CG-CD1 4.01Å; Q150-F372 HydrophobicContact CG-CD2 3.8Å; Q150-F372 HydrophobicContact CG-CE1 4.3Å; Q150-F372 HydrophobicContact CG-CE2 4.12Å; Q150-F372 HydrophobicContact CG-CG 3.75Å; Q150-F372 HydrophobicContact CG-CZ 4.36Å; A151-F372 VanDerWaalsContact CA-CE2 3.44Å; A151-F372 HydrophobicContact CB-CE2 3.79Å; A151-F372 HydrophobicContact CB-CZ 4.41Å; D154-F372 HydrophobicContact CB-CE1 4.33Å; D154-F372 HydrophobicContact CB-CZ 3.95Å; L157-F372 HydrophobicContact CD2-CE2 4.48Å; L157-F372 HydrophobicContact CD2-CZ 4.17Å; F372-L375 PolarHBondContact O-N 3.47Å; F372-R376 HydrophobicContact CE1-CB 4.5Å; F372-R376 WeakPolarHBondContact O-CB 3Å; F372-R376 PolarHBondContact O-N 3.35Å
373A98Very high96.6Very high63 Ų6362.6 Ų62.652%0.52134%0.335SS..Hα-helixtrans-66.3-41.3-179.700000111.5D371 K377D371-A373 WeakPolarHBondContact OD2-CB 3.42Å; D371-A373 PolarHBondContact OD2-N 3.21Å; A373-K377 WeakPolarHBondContact O-CB 3.44Å; A373-K377 PolarHBondContact O-N 3.48Å
374A98.1Very high96.5Very high29 Ų2961.8 Ų61.824%0.2433%0.332CS..Hα-helixtrans-61-46.4172.700000111.9L368 P369 D371 K377 L378L368-A374 HydrophobicContact CD2-CB 4Å; L368-A374 HydrophobicContact CG-CB 4.39Å; P369-A374 HydrophobicContact CG-CB 4.3Å; D371-A374 HydrophobicContact CB-CB 4.27Å; D371-A374 WeakPolarHBondContact OD2-CB 3.4Å; D371-A374 PolarHBondContact OD2-N 3.04Å; A374-K377 PolarHBondContact O-N 3.05Å; A374-L378 PolarHBondContact O-N 2.86Å
375L98.3Very high96.4Very high1 Ų160.6 Ų60.61%0.00533%0.326CS..Hα-helixtrans-60.3-51.4177.5173.461.8000111.5L111 L147 L368 D371 F372 K377 L378 M379L111-L375 HydrophobicContact CD1-CD1 4.31Å; L111-L375 HydrophobicContact CD1-CD2 3.65Å; L111-L375 HydrophobicContact CD2-CD1 3.66Å; L147-L375 HydrophobicContact CB-CD2 3.89Å; L368-L375 HydrophobicContact CD2-CB 4.36Å; D371-L375 PolarHBondContact O-N 2.98Å; F372-L375 PolarHBondContact O-N 3.47Å; L375-K377 VanDerWaalsContact C-N 3.28Å; L375-K377 PolarHBondContact O-N 3.44Å; L375-L378 PolarHBondContact O-N 3.49Å; L375-L378 VanDerWaalsContact O-N 3.11Å; L375-M379 HydrophobicContact CD1-CG 3.98Å; L375-M379 HydrophobicContact CD1-SD 3.9Å; L375-M379 HydrophobicContact CG-CG 4.43Å; L375-M379 HydrophobicContact CG-SD 3.99Å; L375-M379 WeakPolarHBondContact O-CG 3.19Å; L375-M379 PolarHBondContact O-N 3.35Å
376R97.8Very high96.3Very high75 Ų7562.7 Ų62.728%0.28334%0.335SS..Hα-helixtrans-55.5-44.9178.9-174-177.8-170-88.18.4111.2D154 E156 L157 F372 M379 M380D154-R376 IonicContact OD1-NH2 3.54Å; D154-R376 WeakPolarHBondContact OD2-CD 3.21Å; D154-R376 IonicContact OD2-CZ 2.69Å; D154-R376 IonicContact OD2-NE 2.97Å; D154-R376 PolarHBondContact OD2-NE 3.4Å; D154-R376 IonicContact OD2-NH2 3.74Å; E156-R376 IonicContact OE2-NH2 3.38Å; E156-R376 PolarHBondContact OE2-NH2 3.08Å; L157-R376 HydrophobicContact CD1-CG 4.17Å; L157-R376 HydrophobicContact CD2-CG 4.31Å; F372-R376 HydrophobicContact CE1-CB 4.5Å; F372-R376 WeakPolarHBondContact O-CB 3Å; F372-R376 PolarHBondContact O-N 3.35Å; R376-M379 PolarHBondContact O-N 2.67Å; R376-M380 VanDerWaalsContact O-CG 3.3Å; R376-M380 WeakPolarHBondContact O-CG 3.09Å; R376-M380 PolarHBondContact O-N 3.16Å
377K97.8Very high96.2Very high145 Ų14563.1 Ų63.163%0.6334%0.339SS*.Hα-helixtrans-61.7-43.8177.1-175.9178.5179.6-179.50112.1A373 A374 L375 N381A373-K377 WeakPolarHBondContact O-CB 3.44Å; A373-K377 PolarHBondContact O-N 3.48Å; A374-K377 PolarHBondContact O-N 3.05Å; L375-K377 VanDerWaalsContact C-N 3.28Å; L375-K377 PolarHBondContact O-N 3.44Å; K377-N381 WeakPolarHBondContact O-CB 3.46Å; K377-N381 VanDerWaalsContact O-CG 3.22Å; K377-N381 PolarHBondContact O-N 2.96Å; K377-N381 PolarHBondContact O-ND2 2.96Å
378L97.5Very high96Very high16 Ų1660.8 Ų60.88%0.08433%0.327CS..Hα-helixtrans-61.3-48.6176.9-178.7150.9000111.2V135 H366 L368 A374 L375 M380 N381 H382V135-L378 HydrophobicContact CG2-CD1 4.24Å; V135-L378 HydrophobicContact CG2-CD2 4.13Å; H366-L378 HydrophobicContact CB-CD1 3.64Å; L368-L378 HydrophobicContact CD1-CD1 3.41Å; L368-L378 VanDerWaalsContact CD1-CD1 3.41Å; L368-L378 HydrophobicContact CD2-CB 4.21Å; L368-L378 HydrophobicContact CD2-CD1 4.17Å; L368-L378 HydrophobicContact CG-CD1 4.47Å; A374-L378 PolarHBondContact O-N 2.86Å; L375-L378 PolarHBondContact O-N 3.49Å; L375-L378 VanDerWaalsContact O-N 3.11Å; L378-M380 VanDerWaalsContact C-N 3.33Å; L378-M380 PolarHBondContact O-N 3.02Å; L378-N381 PolarHBondContact O-N 3.4Å; L378-N381 VanDerWaalsContact O-N 3.1Å; L378-H382 PolarHBondContact O-N 2.97Å; L378-H382 PolarHBondContact O-ND1 2.89Å
379M97.2Very high95.9Very high6 Ų663.5 Ų63.53%0.0334%0.342CS..Hα-helixtrans-61.6-41.2-177.8-68-177.96800112T83 L85 V109 L161 L163 L375 R376 N381 H382T83-M379 HydrophobicContact CG2-CE 3.97Å; L85-M379 HydrophobicContact CB-CE 4.31Å; L85-M379 HydrophobicContact CD1-CE 4.09Å; L85-M379 HydrophobicContact CD1-SD 3.98Å; L85-M379 HydrophobicContact CD2-CE 4.17Å; L85-M379 HydrophobicContact CD2-SD 4.09Å; L85-M379 HydrophobicContact CG-CE 4.41Å; V109-M379 HydrophobicContact CG1-CG 4.38Å; V109-M379 HydrophobicContact CG2-CE 4.31Å; L161-M379 HydrophobicContact CD1-CB 3.93Å; L161-M379 HydrophobicContact CD1-CE 3.86Å; L163-M379 HydrophobicContact CD1-CE 3.72Å; L375-M379 HydrophobicContact CD1-CG 3.98Å; L375-M379 HydrophobicContact CD1-SD 3.9Å; L375-M379 HydrophobicContact CG-CG 4.43Å; L375-M379 HydrophobicContact CG-SD 3.99Å; L375-M379 WeakPolarHBondContact O-CG 3.19Å; L375-M379 PolarHBondContact O-N 3.35Å; R376-M379 PolarHBondContact O-N 2.67Å; M379-N381 VanDerWaalsContact C-N 3.26Å; M379-N381 PolarHBondContact O-N 3.36Å; M379-H382 PolarHBondContact O-N 2.73Å
380M96.3Very high95.7Very high58 Ų5863 Ų6329%0.28633%0.334SS..Hα-helixtrans-68.7-23.2177-67.3-59.6-66.300113.7L157 A160 L161 R376 L378 Q383L157-M380 HydrophobicContact CD1-CG 4.15Å; L157-M380 HydrophobicContact CD1-SD 3.73Å; A160-M380 HydrophobicContact CB-CE 4.31Å; A160-M380 HydrophobicContact CB-SD 4.45Å; L161-M380 HydrophobicContact CD1-SD 4.3Å; L161-M380 HydrophobicContact CD2-SD 4.05Å; L161-M380 HydrophobicContact CG-SD 4.18Å; R376-M380 VanDerWaalsContact O-CG 3.3Å; R376-M380 WeakPolarHBondContact O-CG 3.09Å; R376-M380 PolarHBondContact O-N 3.16Å; L378-M380 VanDerWaalsContact C-N 3.33Å; L378-M380 PolarHBondContact O-N 3.02Å; M380-Q383 PolarHBondContact O-NE2 2.85Å
381N94.5Very high95.6Very high116 Ų11663.8 Ų63.862%0.6233%0.326SS*.Hα-helixtrans-85.4-16.2177.3-73.5-10.8000113.5K377 L378 M379K377-N381 WeakPolarHBondContact O-CB 3.46Å; K377-N381 VanDerWaalsContact O-CG 3.22Å; K377-N381 PolarHBondContact O-N 2.96Å; K377-N381 PolarHBondContact O-ND2 2.96Å; L378-N381 PolarHBondContact O-N 3.4Å; L378-N381 VanDerWaalsContact O-N 3.1Å; M379-N381 VanDerWaalsContact C-N 3.26Å; M379-N381 PolarHBondContact O-N 3.36Å
382H88.1Confident95.4Very high71 Ų7162.9 Ų62.933%0.32932%0.32SS..  trans-119.945.7-176.9-60.680.1000111.4K107 E133 H366 L378 M379K107-H382 WeakPolarHBondContact CE-O 3.36Å; K107-H382 PolarHBondContact NZ-O 3.22Å; K107-H382 VanDerWaalsContact NZ-O 3.09Å; E133-H382 IonicContact OE1-CD2 3.99Å; H366-H382 AromaticContact CE1-NE2 3.66Å; H366-H382 AromaticContact NE2-NE2 3.82Å; L378-H382 PolarHBondContact O-N 2.97Å; L378-H382 PolarHBondContact O-ND1 2.89Å; M379-H382 PolarHBondContact O-N 2.73Å
383Q82.9Confident95.1Very high149 Ų14966.3 Ų66.370%0.69634%0.338SS*.  trans-63.50179.3-75.1178.55300114.3K107 L161 M380K107-Q383 VanDerWaalsContact CD-C 3.47Å; K107-Q383 WeakPolarHBondContact CD-OXT 3.07Å; K107-Q383 VanDerWaalsContact NZ-C 3.26Å; K107-Q383 PolarHBondContact NZ-O 3.34Å; L161-Q383 HydrophobicContact CD2-CG 3.74Å; M380-Q383 PolarHBondContact O-NE2 2.85Å

Retrieved 383 of 383 residues in 1259.5 ms (Link to these results)

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