A0A077ZP16_TRITR Loading...

HypD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZP16, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 336 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
1M96Very high94.2Very high17 Ų1710.6 Ų10.68%0.0846%0.064CC..  0118.50172.7170.3-76.200109.9I27 L148 I156 A158 F159 L160M1-I27 CarbonylContact C-O 3.52Å; M1-I27 WeakPolarHBondContact CA-O 3.39Å; M1-I27 HydrophobicContact CB-CB 4.23Å; M1-I27 HydrophobicContact CE-CG2 3.64Å; M1-I27 VanDerWaalsContact CG-O 3.3Å; M1-I27 WeakPolarHBondContact CG-O 3.32Å; M1-L148 HydrophobicContact CE-CD2 3.82Å; M1-L148 HydrophobicContact SD-CD2 3.47Å; M1-L148 WeakPolarHBondContact SD-CD2 3.5Å; M1-I156 HydrophobicContact CB-CG1 4.46Å; M1-I156 HydrophobicContact CB-CG2 3.72Å; M1-I156 HydrophobicContact CE-CD1 3.48Å; M1-I156 VanDerWaalsContact CE-CD1 3.48Å; M1-I156 HydrophobicContact CE-CG1 4.01Å; M1-I156 HydrophobicContact SD-CD1 3.69Å; M1-I156 HydrophobicContact SD-CG1 4.49Å; M1-A158 PolarHBondContact N-O 3.14Å; M1-F159 HydrophobicContact CB-CD1 4.15Å; M1-F159 HydrophobicContact CB-CE1 4.26Å; M1-F159 HydrophobicContact CG-CD1 4.28Å; M1-F159 HydrophobicContact CG-CE1 4.32Å; M1-F159 CarbonylContact O-C 3.17Å; M1-F159 WeakPolarHBondContact O-CA 3.49Å; M1-F159 HydrophobicContact SD-CD1 4.35Å; M1-F159 HydrophobicContact SD-CE1 3.86Å; M1-L160 PolarHBondContact O-N 3.45Å
2E96.1Very high94.1Very high4 Ų411.3 Ų11.32%0.0197%0.065CC..BIsolated β-bridgetrans-84.4118.2164.270.1-71.417400109.6H7 T8 I11 F26 I27 H28 G29 L160E2-H7 HydrophobicContact CB-CB 3.84Å; E2-H7 HydrophobicContact CG-CB 4.01Å; E2-T8 WeakPolarHBondContact CG-OG1 3.46Å; E2-T8 PolarHBondContact OE1-OG1 2.8Å; E2-I11 HydrophobicContact CB-CD1 4.1Å; E2-I11 HydrophobicContact CG-CD1 3.67Å; E2-F26 WeakPolarHBondContact OE2-CB 3.43Å; E2-I27 PolarHBondContact N-O 3.46Å; E2-I27 PolarHBondContact OE2-N 2.8Å; E2-H28 VanDerWaalsContact OE1-CA 3.27Å; E2-H28 WeakPolarHBondContact OE1-CA 3.26Å; E2-H28 PolarHBondContact OE1-N 3.36Å; E2-H28 VanDerWaalsContact OE1-N 3.12Å; E2-G29 WeakPolarHBondContact O-CA 3.34Å; E2-G29 PolarHBondContact O-N 2.94Å; E2-L160 HydrophobicContact CB-CB 4.22Å; E2-L160 HydrophobicContact CB-CD1 4.41Å
3V95.1Very high94Very high0 Ų018.8 Ų18.80%010%0.097CC..  trans-76.6-36-173.7174.80000110.6G29 G31 L141 L145 F159 L160 P162V3-G29 CarbonylContact O-C 3.56Å; V3-G31 WeakPolarHBondContact O-CA 3.29Å; V3-G31 PolarHBondContact O-N 2.85Å; V3-L141 HydrophobicContact CG1-CD1 3.66Å; V3-L141 HydrophobicContact CG1-CD2 4.09Å; V3-L141 HydrophobicContact CG1-CG 4.43Å; V3-L145 HydrophobicContact CG1-CD2 4.02Å; V3-L145 HydrophobicContact CG2-CD2 3.8Å; V3-F159 HydrophobicContact CG2-CD1 3.86Å; V3-L160 PolarHBondContact N-O 3.16Å; V3-P162 HydrophobicContact CG1-CG 4.34Å
4C94.5Very high93.9Very high25 Ų2524.2 Ų24.217%0.16912%0.119CC..  trans-78.5132.5-174.1-165.40000112.5G6 H7 T8 P162C4-G6 VanDerWaalsContact C-N 3.26Å; C4-G6 PolarHBondContact O-N 3Å; C4-G6 PolarHBondContact SG-N 3.12Å; C4-H7 HydrophobicContact CB-CB 3.97Å; C4-H7 WeakPolarHBondContact CB-ND1 3.48Å; C4-H7 WeakPolarHBondContact O-CB 3.4Å; C4-H7 PolarHBondContact O-N 3.3Å; C4-T8 PolarHBondContact O-N 3Å; C4-P162 HydrophobicContact CB-CB 3.79Å
5G91.5Very high93.9Very high0 Ų023.3 Ų23.30%012%0.119CC..Hα-helixtrans-60.5-35169.700000113.2H7 T8 H9 E320G5-H7 VanDerWaalsContact C-N 3.3Å; G5-H7 PolarHBondContact O-N 3.08Å; G5-T8 WeakPolarHBondContact O-CB 3.47Å; G5-T8 PolarHBondContact O-N 3.29Å; G5-H9 PolarHBondContact O-N 3.45Å; G5-E320 WeakPolarHBondContact CA-O 3.48Å
6G92.5Very high93.9Very high14 Ų1422.2 Ų22.214%0.14411%0.113CC..Hα-helixtrans-63.1-32.4172.300000113.8C4 A10 E320C4-G6 VanDerWaalsContact C-N 3.26Å; C4-G6 PolarHBondContact O-N 3Å; C4-G6 PolarHBondContact SG-N 3.12Å; G6-A10 WeakPolarHBondContact O-CB 3.46Å; G6-A10 PolarHBondContact O-N 3.08Å; G6-E320 PolarHBondContact N-OE2 3.11Å
7H96Very high93.7Very high3 Ų323.4 Ų23.41%0.01412%0.12CC..Hα-helixtrans-66.6-48.1171.9-66.5164000110.4E2 C4 G5 H9 A10 I11 A161 A188 G189 L195E2-H7 HydrophobicContact CB-CB 3.84Å; E2-H7 HydrophobicContact CG-CB 4.01Å; C4-H7 HydrophobicContact CB-CB 3.97Å; C4-H7 WeakPolarHBondContact CB-ND1 3.48Å; C4-H7 WeakPolarHBondContact O-CB 3.4Å; C4-H7 PolarHBondContact O-N 3.3Å; G5-H7 VanDerWaalsContact C-N 3.3Å; G5-H7 PolarHBondContact O-N 3.08Å; H7-H9 VanDerWaalsContact C-N 3.32Å; H7-H9 PolarHBondContact O-N 3.19Å; H7-A10 PolarHBondContact O-N 2.85Å; H7-A10 VanDerWaalsContact O-N 3.15Å; H7-I11 HydrophobicContact CB-CD1 4.45Å; H7-I11 WeakPolarHBondContact O-CB 3.44Å; H7-I11 WeakPolarHBondContact O-CD1 3.49Å; H7-I11 VanDerWaalsContact O-CG1 3.25Å; H7-I11 WeakPolarHBondContact O-CG1 3.42Å; H7-I11 PolarHBondContact O-N 2.79Å; H7-A161 PolarHBondContact CE1-O 3.06Å; H7-A188 PolarHBondContact NE2-O 2.98Å; H7-A188 VanDerWaalsContact NE2-O 3.1Å; H7-G189 PolarHBondContact CD2-O 3.17Å; H7-G189 VanDerWaalsContact CD2-O 3.22Å; H7-G189 PolarHBondContact NE2-O 3.09Å; H7-L195 HydrophobicContact CB-CD2 3.99Å; H7-L195 VanDerWaalsContact CD2-CD2 3.5Å; H7-L195 WeakPolarHBondContact CD2-CD2 3.33Å
8T93.7Very high93.6Very high0 Ų028.3 Ų28.30%014%0.142CC..Hα-helixtrans-55.3-48175.9-61.70000111.3E2 C4 G5 A10 I11 F12 H28 A322E2-T8 WeakPolarHBondContact CG-OG1 3.46Å; E2-T8 PolarHBondContact OE1-OG1 2.8Å; C4-T8 PolarHBondContact O-N 3Å; G5-T8 WeakPolarHBondContact O-CB 3.47Å; G5-T8 PolarHBondContact O-N 3.29Å; T8-A10 PolarHBondContact O-N 2.89Å; T8-I11 PolarHBondContact O-N 3.44Å; T8-F12 HydrophobicContact CG2-CD2 3.72Å; T8-F12 HydrophobicContact CG2-CE2 3.62Å; T8-F12 WeakPolarHBondContact O-CD2 3.34Å; T8-F12 PolarHBondContact O-N 3.04Å; T8-F12 VanDerWaalsContact O-N 3.09Å; T8-H28 HydrophobicContact CG2-CB 4.48Å; T8-H28 PolarHBondContact OG1-ND1 3.46Å; T8-A322 HydrophobicContact CG2-CB 4.33Å
9H92.1Very high93.5Very high47 Ų4733.5 Ų33.522%0.21817%0.17CC..Hα-helixtrans-57.7-47176.6-177.479.7000112G5 H7 K13 S319G5-H9 PolarHBondContact O-N 3.45Å; H7-H9 VanDerWaalsContact C-N 3.32Å; H7-H9 PolarHBondContact O-N 3.19Å; H9-K13 WeakPolarHBondContact O-CB 3.36Å; H9-K13 PolarHBondContact O-N 3.4Å; H9-S319 PolarHBondContact ND1-O 3.21Å; H9-S319 VanDerWaalsContact ND1-O 3.14Å
10A94.2Very high93.5Very high6 Ų633.9 Ų33.95%0.0517%0.172CC..Hα-helixtrans-64-45.5178.700000112.3G6 H7 T8 F12 K13 F14 F190 L195G6-A10 WeakPolarHBondContact O-CB 3.46Å; G6-A10 PolarHBondContact O-N 3.08Å; H7-A10 PolarHBondContact O-N 2.85Å; H7-A10 VanDerWaalsContact O-N 3.15Å; T8-A10 PolarHBondContact O-N 2.89Å; A10-F12 PolarHBondContact O-N 2.84Å; A10-K13 PolarHBondContact O-N 3.04Å; A10-F14 HydrophobicContact CB-CD2 4.14Å; A10-F14 HydrophobicContact CB-CE2 4.28Å; A10-F14 WeakPolarHBondContact O-CB 3.48Å; A10-F14 WeakPolarHBondContact O-CD2 2.85Å; A10-F14 PolarHBondContact O-N 3.31Å; A10-F190 WeakPolarHBondContact CB-O 3.49Å; A10-L195 HydrophobicContact CB-CD1 3.64Å
11I94.9Very high93.5Very high1 Ų136 Ų361%0.00519%0.188CC..Hα-helixtrans-54.4-53177.8-71.3158.9000110.2E2 H7 T8 G15 L16 D17 F26 L195E2-I11 HydrophobicContact CB-CD1 4.1Å; E2-I11 HydrophobicContact CG-CD1 3.67Å; H7-I11 HydrophobicContact CB-CD1 4.45Å; H7-I11 WeakPolarHBondContact O-CB 3.44Å; H7-I11 WeakPolarHBondContact O-CD1 3.49Å; H7-I11 VanDerWaalsContact O-CG1 3.25Å; H7-I11 WeakPolarHBondContact O-CG1 3.42Å; H7-I11 PolarHBondContact O-N 2.79Å; T8-I11 PolarHBondContact O-N 3.44Å; I11-G15 WeakPolarHBondContact O-CA 3.36Å; I11-G15 PolarHBondContact O-N 2.96Å; I11-L16 HydrophobicContact CG1-CD1 4.42Å; I11-L16 HydrophobicContact CG2-CB 4.37Å; I11-L16 PolarHBondContact O-N 2.97Å; I11-D17 HydrophobicContact CG2-CB 3.84Å; I11-F26 HydrophobicContact CD1-CB 4.41Å; I11-F26 HydrophobicContact CD1-CD1 3.53Å; I11-F26 HydrophobicContact CD1-CE1 3.8Å; I11-F26 HydrophobicContact CD1-CG 3.92Å; I11-F26 HydrophobicContact CD1-CZ 4.38Å; I11-F26 HydrophobicContact CG1-CD1 4.33Å; I11-F26 HydrophobicContact CG1-CE1 4.26Å; I11-F26 HydrophobicContact CG1-CZ 4.38Å; I11-F26 HydrophobicContact CG2-CB 4.4Å; I11-F26 HydrophobicContact CG2-CD2 3.73Å; I11-F26 HydrophobicContact CG2-CE2 4.03Å; I11-F26 HydrophobicContact CG2-CG 4.02Å; I11-L195 HydrophobicContact CG1-CD1 4.19Å
12F92.7Very high93.3Very high18 Ų1844.9 Ų44.98%0.07923%0.229CC..Hα-helixtrans-66.6-46-180-77.8-68.4000112.8T8 A10 F14 G15 A325 W326 Y329 R330T8-F12 HydrophobicContact CG2-CD2 3.72Å; T8-F12 HydrophobicContact CG2-CE2 3.62Å; T8-F12 WeakPolarHBondContact O-CD2 3.34Å; T8-F12 PolarHBondContact O-N 3.04Å; T8-F12 VanDerWaalsContact O-N 3.09Å; A10-F12 PolarHBondContact O-N 2.84Å; F12-F14 VanDerWaalsContact C-N 3.3Å; F12-F14 PolarHBondContact O-N 2.99Å; F12-G15 PolarHBondContact O-N 3.34Å; F12-A325 HydrophobicContact CB-CB 4.24Å; F12-A325 HydrophobicContact CD2-CB 3.65Å; F12-A325 HydrophobicContact CE2-CB 4.38Å; F12-A325 HydrophobicContact CG-CB 4.13Å; F12-W326 HydrophobicContact CE1-CD2 4.36Å; F12-W326 AromaticContact CE1-CE3 3.67Å; F12-W326 HydrophobicContact CE1-CE3 3.67Å; F12-W326 HydrophobicContact CE1-CZ3 4.01Å; F12-W326 HydrophobicContact CZ-CD2 4.47Å; F12-W326 AromaticContact CZ-CE3 3.51Å; F12-W326 HydrophobicContact CZ-CE3 3.51Å; F12-W326 AromaticContact CZ-CZ3 3.93Å; F12-W326 HydrophobicContact CZ-CZ3 3.93Å; F12-Y329 HydrophobicContact CB-CD2 3.73Å; F12-Y329 HydrophobicContact CB-CG 4.27Å; F12-R330 HydrophobicContact CD1-CG 3.83Å; F12-R330 HydrophobicContact CE1-CG 3.87Å; F12-R330 PolarHBondContact O-NH2 3.49Å
13K92.2Very high93.2Very high109 Ų10951.3 Ų51.347%0.47426%0.264SS..Hα-helixtrans-60.7-38.5-177.6177178.2177.2-178.20112.6H9 A10 Y329H9-K13 WeakPolarHBondContact O-CB 3.36Å; H9-K13 PolarHBondContact O-N 3.4Å; A10-K13 PolarHBondContact O-N 3.04Å; K13-Y329 HydrophobicContact CB-CE1 4.28Å; K13-Y329 HydrophobicContact CB-CE2 4.1Å; K13-Y329 HydrophobicContact CG-CE1 4.35Å
14F93.5Very high93.2Very high95 Ų9553 Ų5342%0.41727%0.274SS..Hα-helixtrans-97.21.3-179.2-62.1-68.3000113.2A10 F12 L16 P192A10-F14 HydrophobicContact CB-CD2 4.14Å; A10-F14 HydrophobicContact CB-CE2 4.28Å; A10-F14 WeakPolarHBondContact O-CB 3.48Å; A10-F14 WeakPolarHBondContact O-CD2 2.85Å; A10-F14 PolarHBondContact O-N 3.31Å; F12-F14 VanDerWaalsContact C-N 3.3Å; F12-F14 PolarHBondContact O-N 2.99Å; F14-L16 VanDerWaalsContact C-N 3.26Å; F14-L16 HydrophobicContact CB-CD2 4.02Å; F14-L16 HydrophobicContact CB-CG 4.04Å; F14-L16 PolarHBondContact O-N 3.38Å; F14-P192 HydrophobicContact CB-CG 4.33Å; F14-P192 HydrophobicContact CD1-CG 3.97Å; F14-P192 HydrophobicContact CD2-CG 3.51Å; F14-P192 HydrophobicContact CE1-CG 4.07Å; F14-P192 HydrophobicContact CE2-CG 3.63Å; F14-P192 HydrophobicContact CG-CG 3.69Å; F14-P192 HydrophobicContact CZ-CG 3.91Å
15G93.1Very high93.2Very high11 Ų1158 Ų5811%0.11330%0.295CS..THydrogen-bonded Turntrans63.828.1179.600000113.9I11 F12 D17 Q18 L19I11-G15 WeakPolarHBondContact O-CA 3.36Å; I11-G15 PolarHBondContact O-N 2.96Å; F12-G15 PolarHBondContact O-N 3.34Å; G15-D17 VanDerWaalsContact C-N 3.26Å; G15-D17 PolarHBondContact O-N 2.67Å; G15-Q18 PolarHBondContact O-N 3.05Å; G15-L19 WeakPolarHBondContact O-CG 3.39Å; G15-L19 PolarHBondContact O-N 2.9Å; G15-L19 VanDerWaalsContact O-N 3.16Å
16L94Very high93.4Very high5 Ų559 Ų593%0.02630%0.3CS..Hα-helixtrans-64.2-34.4-175-57.5-175.7000112.1I11 F14 Q18 L19 L20 P192 L195 L196I11-L16 HydrophobicContact CG1-CD1 4.42Å; I11-L16 HydrophobicContact CG2-CB 4.37Å; I11-L16 PolarHBondContact O-N 2.97Å; F14-L16 VanDerWaalsContact C-N 3.26Å; F14-L16 HydrophobicContact CB-CD2 4.02Å; F14-L16 HydrophobicContact CB-CG 4.04Å; F14-L16 PolarHBondContact O-N 3.38Å; L16-Q18 VanDerWaalsContact C-N 3.26Å; L16-Q18 PolarHBondContact O-N 3.13Å; L16-L19 HydrophobicContact CD2-CD1 4.24Å; L16-L19 PolarHBondContact O-N 3.25Å; L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 3.46Å; L16-P192 HydrophobicContact CD2-CB 4.33Å; L16-L195 HydrophobicContact CD1-CB 3.88Å; L16-L195 HydrophobicContact CD1-CD1 3.78Å; L16-L196 HydrophobicContact CD2-CD1 4.25Å; L16-L196 HydrophobicContact CD2-CD2 4.39Å; L16-L196 HydrophobicContact CD2-CG 4.3Å
17D91.2Very high93.4Very high42 Ų4259.8 Ų59.823%0.22530%0.3CS..Hα-helixtrans-59.8-32.1171.556.4-45.3000113.2I11 G15 F26 R330I11-D17 HydrophobicContact CG2-CB 3.84Å; G15-D17 VanDerWaalsContact C-N 3.26Å; G15-D17 PolarHBondContact O-N 2.67Å; D17-F26 HydrophobicContact CB-CD2 3.75Å; D17-F26 HydrophobicContact CB-CE2 4.26Å; D17-R330 IonicContact OD1-CZ 3.31Å; D17-R330 IonicContact OD1-NH2 3.69Å; D17-R330 PolarHBondContact OD1-NH2 3.48Å; D17-R330 IonicContact OD2-CZ 2.99Å; D17-R330 IonicContact OD2-NE 2.83Å; D17-R330 PolarHBondContact OD2-NE 3.14Å; D17-R330 VanDerWaalsContact OD2-NE 3.08Å; D17-R330 IonicContact OD2-NH2 3.41Å; D17-R330 PolarHBondContact OD2-NH2 3.45Å
18Q90.7Very high93.2Very high112 Ų11260.2 Ų60.252%0.52330%0.302SS..Hα-helixtrans-85.6-21.3178.4-64.1176.4-17.200113G15 L16 E333G15-Q18 PolarHBondContact O-N 3.05Å; L16-Q18 VanDerWaalsContact C-N 3.26Å; L16-Q18 PolarHBondContact O-N 3.13Å; Q18-E333 PolarHBondContact NE2-OE1 3.35Å
19L92.3Very high93.1Very high128 Ų12860.2 Ų60.267%0.6730%0.302SS*.Hα-helixtrans-82.8-22.7179.5-69.1175.2000112.9G15 L16G15-L19 WeakPolarHBondContact O-CG 3.39Å; G15-L19 PolarHBondContact O-N 2.9Å; G15-L19 VanDerWaalsContact O-N 3.16Å; L16-L19 HydrophobicContact CD2-CD1 4.24Å; L16-L19 PolarHBondContact O-N 3.25Å
20L93.5Very high93.1Very high40 Ų4058 Ų5821%0.20929%0.292CS..SBendtrans-87.9154.2-178.7-67.8-176.4000111.5L16 V24 F26 L196 V199L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 3.46Å; L20-V24 HydrophobicContact CB-CB 4.35Å; L20-V24 HydrophobicContact CD1-CB 4.47Å; L20-V24 HydrophobicContact CD1-CG1 3.81Å; L20-F26 HydrophobicContact CD1-CE2 3.51Å; L20-F26 HydrophobicContact CD1-CZ 3.49Å; L20-F26 VanDerWaalsContact CD1-CZ 3.49Å; L20-L196 HydrophobicContact CD2-CD2 4.03Å; L20-L196 HydrophobicContact CG-CD2 4.48Å; L20-V199 HydrophobicContact CD1-CG1 4Å; L20-V199 HydrophobicContact CD1-CG2 4.46Å
21P94.3Very high93Very high78 Ų7858.3 Ų58.351%0.50630%0.296SS..  trans-65.4153.9177.828.1-35.7000111.9N23 V24P21-N23 VanDerWaalsContact CB-OD1 3.3Å; P21-N23 WeakPolarHBondContact CB-OD1 3.3Å; P21-N23 VanDerWaalsContact CG-OD1 3.28Å; P21-N23 WeakPolarHBondContact CG-OD1 3.44Å; P21-N23 PolarHBondContact O-N 3.47Å; P21-V24 HydrophobicContact CG-CG2 4.19Å; P21-V24 PolarHBondContact O-N 2.99Å
22E92.1Very high92.9Very high204 Ų20458.4 Ų58.495%0.95330%0.296SS*.THydrogen-bonded Turntrans-57.8-20.6-174-64.5-179.8174.800114.7V24E22-V24 PolarHBondContact O-N 3.48Å
23N93.4Very high93Very high140 Ų14058.6 Ų58.675%0.74930%0.299SS*.THydrogen-bonded Turntrans-82.42.4176.168.6-33.7000113.7P21P21-N23 VanDerWaalsContact CB-OD1 3.3Å; P21-N23 WeakPolarHBondContact CB-OD1 3.3Å; P21-N23 VanDerWaalsContact CG-OD1 3.28Å; P21-N23 WeakPolarHBondContact CG-OD1 3.44Å; P21-N23 PolarHBondContact O-N 3.47Å
24V95.4Very high93.1Very high36 Ų3653.4 Ų53.422%0.21828%0.277CS..  trans-116.3104.7172.3-179.10000109.1L20 P21 E22 V199 V203L20-V24 HydrophobicContact CB-CB 4.35Å; L20-V24 HydrophobicContact CD1-CB 4.47Å; L20-V24 HydrophobicContact CD1-CG1 3.81Å; P21-V24 HydrophobicContact CG-CG2 4.19Å; P21-V24 PolarHBondContact O-N 2.99Å; E22-V24 PolarHBondContact O-N 3.48Å; V24-V199 HydrophobicContact CG1-CG1 4.12Å; V24-V203 HydrophobicContact CG2-CG2 4.48Å
25E94.4Very high93.1Very high128 Ų12849 Ų4960%0.59826%0.258SS*.  trans-109.5128.5-178.6-172-177.9-179.100111.6K295E25-K295 WeakPolarHBondContact OE1-CE 3.47Å; E25-K295 IonicContact OE1-NZ 3.01Å; E25-K295 PolarHBondContact OE1-NZ 3.26Å
26F94.8Very high93Very high23 Ų2348.6 Ų48.610%0.10125%0.253CS..  trans-82.8139.6170.8-67.7-73.6000111.5E2 I11 D17 L20 L160 V199 K295E2-F26 WeakPolarHBondContact OE2-CB 3.43Å; I11-F26 HydrophobicContact CD1-CB 4.41Å; I11-F26 HydrophobicContact CD1-CD1 3.53Å; I11-F26 HydrophobicContact CD1-CE1 3.8Å; I11-F26 HydrophobicContact CD1-CG 3.92Å; I11-F26 HydrophobicContact CD1-CZ 4.38Å; I11-F26 HydrophobicContact CG1-CD1 4.33Å; I11-F26 HydrophobicContact CG1-CE1 4.26Å; I11-F26 HydrophobicContact CG1-CZ 4.38Å; I11-F26 HydrophobicContact CG2-CB 4.4Å; I11-F26 HydrophobicContact CG2-CD2 3.73Å; I11-F26 HydrophobicContact CG2-CE2 4.03Å; I11-F26 HydrophobicContact CG2-CG 4.02Å; D17-F26 HydrophobicContact CB-CD2 3.75Å; D17-F26 HydrophobicContact CB-CE2 4.26Å; L20-F26 HydrophobicContact CD1-CE2 3.51Å; L20-F26 HydrophobicContact CD1-CZ 3.49Å; L20-F26 VanDerWaalsContact CD1-CZ 3.49Å; F26-L160 HydrophobicContact CE1-CD1 4.12Å; F26-V199 HydrophobicContact CE1-CG2 3.74Å; F26-V199 HydrophobicContact CZ-CG2 3.83Å; F26-K295 PolarHBondContact O-NZ 3.11Å
27I93.3Very high93Very high29 Ų2948.4 Ų48.415%0.14925%0.252CS..  trans-134.5116.9-176.2-59.8178.2000107.5M1 E2 G29M1-I27 CarbonylContact C-O 3.52Å; M1-I27 WeakPolarHBondContact CA-O 3.39Å; M1-I27 HydrophobicContact CB-CB 4.23Å; M1-I27 HydrophobicContact CE-CG2 3.64Å; M1-I27 VanDerWaalsContact CG-O 3.3Å; M1-I27 WeakPolarHBondContact CG-O 3.32Å; E2-I27 PolarHBondContact N-O 3.46Å; E2-I27 PolarHBondContact OE2-N 2.8Å; I27-G29 PolarHBondContact O-N 2.93Å
28H91.9Very high93.1Very high12 Ų1246.5 Ų46.56%0.05624%0.242CC..BIsolated β-bridgetrans-64.5126.5178.5179.672.7000111.1E2 T8 A322E2-H28 VanDerWaalsContact OE1-CA 3.27Å; E2-H28 WeakPolarHBondContact OE1-CA 3.26Å; E2-H28 PolarHBondContact OE1-N 3.36Å; E2-H28 VanDerWaalsContact OE1-N 3.12Å; T8-H28 HydrophobicContact CG2-CB 4.48Å; T8-H28 PolarHBondContact OG1-ND1 3.46Å; H28-A322 HydrophobicContact CB-CB 3.74Å
29G91.6Very high93.1Very high0 Ų042.3 Ų42.30%022%0.223CC..  trans-102.8172.8174.600000113.7E2 V3 I27 G31E2-G29 WeakPolarHBondContact O-CA 3.34Å; E2-G29 PolarHBondContact O-N 2.94Å; V3-G29 CarbonylContact O-C 3.56Å; I27-G29 PolarHBondContact O-N 2.93Å; G29-G31 VanDerWaalsContact C-N 3.27Å; G29-G31 PolarHBondContact O-N 2.86Å
30P91.3Very high93.2Very high2 Ų236.6 Ų36.61%0.01319%0.194CC..SBendtrans-85.345.6-170.735.9-38.5000114.3V36 F110 T144 L248 L290P30-V36 HydrophobicContact CB-CG1 4.18Å; P30-F110 WeakPolarHBondContact O-CZ 3.43Å; P30-T144 HydrophobicContact CB-CG2 4.15Å; P30-T144 HydrophobicContact CG-CG2 3.59Å; P30-L248 HydrophobicContact CB-CD1 3.7Å; P30-L248 HydrophobicContact CG-CD1 4.2Å; P30-L290 HydrophobicContact CB-CD2 4.48Å
31G91.7Very high93.2Very high12 Ų1236.7 Ų36.712%0.12419%0.192CC..  trans-103.19.5-178.400000115.4V3 G29 F110V3-G31 WeakPolarHBondContact O-CA 3.29Å; V3-G31 PolarHBondContact O-N 2.85Å; G29-G31 VanDerWaalsContact C-N 3.27Å; G29-G31 PolarHBondContact O-N 2.86Å; G31-F110 VanDerWaalsContact C-CE2 3.43Å; G31-F110 VanDerWaalsContact O-CE2 3.25Å; G31-F110 WeakPolarHBondContact O-CE2 3.27Å
32C93.5Very high93.2Very high2 Ų233 Ų331%0.01417%0.168CC..  trans-99.5115.4167.6-177.50000109.5V34 C35 S318 E320C32-V34 VanDerWaalsContact C-N 3.27Å; C32-V34 PolarHBondContact O-N 2.94Å; C32-C35 HydrophobicContact CB-CB 3.9Å; C32-C35 VanDerWaalsContact CB-SG 3.56Å; C32-C35 WeakPolarHBondContact O-CB 3.3Å; C32-C35 PolarHBondContact O-N 2.81Å; C32-C35 VanDerWaalsContact O-N 3.1Å; C32-C35 PolarHBondContact SG-SG 2.94Å; C32-S318 PolarHBondContact SG-OG 3.37Å; C32-E320 HydrophobicContact CB-CB 4.48Å
33P94.2Very high93.4Very high22 Ų2223.3 Ų23.314%0.14312%0.122CC..THydrogen-bonded Turntrans-69.1-29.3-171.728.6-34.8000112V36 L37 L108 F110P33-V36 WeakPolarHBondContact O-CG2 3.42Å; P33-L37 PolarHBondContact O-N 2.83Å; P33-L108 HydrophobicContact CB-CD1 4.09Å; P33-L108 HydrophobicContact CB-CG 4.07Å; P33-L108 HydrophobicContact CG-CG 4.5Å; P33-F110 HydrophobicContact CB-CD2 4.01Å; P33-F110 HydrophobicContact CB-CE2 3.72Å; P33-F110 HydrophobicContact CB-CZ 4.37Å; P33-F110 HydrophobicContact CG-CD2 4.23Å; P33-F110 HydrophobicContact CG-CE2 4.15Å
34V94.5Very high93.5Very high0 Ų017.1 Ų17.10%09%0.09CC..THydrogen-bonded Turntrans-64.5-42.6173.6-178.90000110.9C32 V36 L37 D61 V65 L108 A314C32-V34 VanDerWaalsContact C-N 3.27Å; C32-V34 PolarHBondContact O-N 2.94Å; V34-V36 PolarHBondContact O-N 3.08Å; V34-L37 WeakPolarHBondContact O-CB 3.29Å; V34-L37 PolarHBondContact O-N 2.83Å; V34-D61 HydrophobicContact CG2-CB 3.94Å; V34-D61 WeakPolarHBondContact CG2-OD2 3.33Å; V34-V65 HydrophobicContact CG1-CG2 3.5Å; V34-L108 HydrophobicContact CG2-CD2 3.77Å; V34-A314 WeakPolarHBondContact O-CB 3.36Å
35C92.8Very high93.6Very high3 Ų315.4 Ų15.42%0.028%0.079CC..THydrogen-bonded Turntrans-64-27.7-176.2-68.70000113.6C32 L290 L315 G321C32-C35 HydrophobicContact CB-CB 3.9Å; C32-C35 VanDerWaalsContact CB-SG 3.56Å; C32-C35 WeakPolarHBondContact O-CB 3.3Å; C32-C35 PolarHBondContact O-N 2.81Å; C32-C35 VanDerWaalsContact O-N 3.1Å; C32-C35 PolarHBondContact SG-SG 2.94Å; C35-L290 HydrophobicContact CB-CD2 4.32Å; C35-L315 HydrophobicContact CB-CD2 3.88Å; C35-L315 HydrophobicContact CB-CG 4.48Å; C35-G321 WeakPolarHBondContact SG-CA 3.44Å
36V92.9Very high93.8Very high2 Ų29.4 Ų9.41%0.0125%0.051CC..THydrogen-bonded Turntrans-104.97.9-177.8-60.30000112.8P30 P33 V34 P38 I139 W245 R246 L290P30-V36 HydrophobicContact CB-CG1 4.18Å; P33-V36 WeakPolarHBondContact O-CG2 3.42Å; V34-V36 PolarHBondContact O-N 3.08Å; V36-P38 VanDerWaalsContact O-CD 3.24Å; V36-P38 WeakPolarHBondContact O-CD 3.37Å; V36-I139 HydrophobicContact CG2-CD1 3.66Å; V36-W245 HydrophobicContact CB-CE3 3.71Å; V36-W245 HydrophobicContact CB-CZ3 4.45Å; V36-W245 HydrophobicContact CG1-CE3 3.94Å; V36-W245 HydrophobicContact CG1-CZ3 4.47Å; V36-W245 HydrophobicContact CG2-CD2 4.43Å; V36-W245 HydrophobicContact CG2-CE3 3.56Å; V36-W245 HydrophobicContact CG2-CZ3 3.92Å; V36-R246 WeakPolarHBondContact O-CB 3.45Å; V36-R246 PolarHBondContact O-N 3.46Å; V36-L290 HydrophobicContact CG1-CD1 4.14Å; V36-L290 HydrophobicContact CG1-CD2 4.09Å
37L93.9Very high93.9Very high1 Ų110.9 Ų10.91%0.0056%0.059CC..  trans-69.9116.3-179.3178.951.7000111.6P33 V34 R41 I42 V65 F106 L108 Q137 R246P33-L37 PolarHBondContact O-N 2.83Å; V34-L37 WeakPolarHBondContact O-CB 3.29Å; V34-L37 PolarHBondContact O-N 2.83Å; L37-R41 HydrophobicContact CD1-CB 3.94Å; L37-I42 HydrophobicContact CD2-CD1 3.44Å; L37-I42 VanDerWaalsContact CD2-CD1 3.44Å; L37-I42 HydrophobicContact CD2-CG1 4.12Å; L37-I42 HydrophobicContact CG-CD1 4.05Å; L37-I42 HydrophobicContact CG-CG1 4.21Å; L37-V65 HydrophobicContact CD2-CG1 4.34Å; L37-V65 HydrophobicContact CD2-CG2 4.46Å; L37-F106 HydrophobicContact CD1-CZ 3.99Å; L37-F106 HydrophobicContact CD2-CE1 4.06Å; L37-F106 HydrophobicContact CD2-CZ 4Å; L37-L108 HydrophobicContact CD1-CD1 4.09Å; L37-L108 HydrophobicContact CD2-CD1 4.28Å; L37-L108 HydrophobicContact CD2-CD2 3.92Å; L37-Q137 HydrophobicContact CD1-CG 3.6Å; L37-R246 VanDerWaalsContact O-CD 3.23Å; L37-R246 WeakPolarHBondContact O-CD 3.45Å
38P92.4Very high94.1Very high2 Ų29.5 Ų9.51%0.0135%0.052CC..  trans-62.9143.8179.2-22.734000112.7V36 G40 R41 I42 E244V36-P38 VanDerWaalsContact O-CD 3.24Å; V36-P38 WeakPolarHBondContact O-CD 3.37Å; P38-G40 VanDerWaalsContact C-N 3.28Å; P38-G40 PolarHBondContact O-N 3.33Å; P38-R41 HydrophobicContact CB-CG 4.08Å; P38-R41 HydrophobicContact CG-CG 4.19Å; P38-R41 WeakPolarHBondContact O-CB 3.49Å; P38-R41 PolarHBondContact O-N 2.97Å; P38-R41 VanDerWaalsContact O-N 3.14Å; P38-I42 PolarHBondContact O-N 3.03Å; P38-E244 HydrophobicContact CB-CG 4.25Å; P38-E244 HydrophobicContact CG-CB 3.97Å; P38-E244 HydrophobicContact CG-CG 3.96Å; P38-E244 WeakPolarHBondContact CG-O 3.3Å
39M91.4Very high94.4Very high25 Ų259 Ų912%0.1235%0.05CC..Hα-helixtrans-61.7-37.8178.4-69.5-170.2-75.400112.5R41 I42 D43 P66 R246 V278 C279 D280M39-R41 PolarHBondContact O-N 3.42Å; M39-I42 WeakPolarHBondContact O-CB 3.4Å; M39-I42 PolarHBondContact O-N 3.45Å; M39-D43 PolarHBondContact O-N 3.35Å; M39-P66 WeakPolarHBondContact CG-O 3.28Å; M39-R246 VanDerWaalsContact CG-CZ 3.49Å; M39-R246 PolarHBondContact SD-NH2 2.89Å; M39-V278 HydrophobicContact CB-CB 4.06Å; M39-V278 HydrophobicContact CB-CG1 3.79Å; M39-V278 HydrophobicContact CB-CG2 4.46Å; M39-V278 HydrophobicContact CE-CB 4.36Å; M39-V278 HydrophobicContact CE-CG1 3.54Å; M39-V278 HydrophobicContact SD-CG1 4.06Å; M39-C279 VanDerWaalsContact CE-O 3.27Å; M39-C279 WeakPolarHBondContact CE-O 3.31Å; M39-D280 HydrophobicContact CE-CB 4.3Å; M39-D280 VanDerWaalsContact CE-OD1 3.28Å; M39-D280 WeakPolarHBondContact CE-OD1 3.46Å
40G92.9Very high94.6Very high7 Ų712.3 Ų12.37%0.0727%0.073CC..Hα-helixtrans-57.8-35.1177.100000112.4P38 D43 T44P38-G40 VanDerWaalsContact C-N 3.28Å; P38-G40 PolarHBondContact O-N 3.33Å; G40-D43 PolarHBondContact O-N 3.19Å; G40-T44 PolarHBondContact O-N 2.93Å; G40-T44 PolarHBondContact O-OG1 3.35Å; G40-T44 VanDerWaalsContact O-OG1 3.05Å
41R94.5Very high94.9Very high43 Ų4315.4 Ų15.416%0.1629%0.087CC..Hα-helixtrans-69-35.1176.2-59.4-63-68.8174.1-8.9112.3L37 P38 M39 T44 C45 F135 C136 E268L37-R41 HydrophobicContact CD1-CB 3.94Å; P38-R41 HydrophobicContact CB-CG 4.08Å; P38-R41 HydrophobicContact CG-CG 4.19Å; P38-R41 WeakPolarHBondContact O-CB 3.49Å; P38-R41 PolarHBondContact O-N 2.97Å; P38-R41 VanDerWaalsContact O-N 3.14Å; M39-R41 PolarHBondContact O-N 3.42Å; R41-T44 PolarHBondContact O-N 3.49Å; R41-C45 PolarHBondContact O-N 3.15Å; R41-C45 PolarHBondContact O-SG 3.12Å; R41-F135 VanDerWaalsContact CZ-CE2 3.46Å; R41-F135 VanDerWaalsContact NH2-CZ 3.25Å; R41-C136 PolarHBondContact NH2-O 3.43Å; R41-E268 IonicContact CZ-OE1 3.5Å; R41-E268 IonicContact CZ-OE2 3.44Å; R41-E268 IonicContact NH1-OE1 3.23Å; R41-E268 PolarHBondContact NH1-OE1 3.34Å; R41-E268 IonicContact NH1-OE2 2.81Å; R41-E268 PolarHBondContact NH1-OE2 3.1Å; R41-E268 IonicContact NH2-OE1 3.23Å; R41-E268 IonicContact NH2-OE2 3.61Å; R41-E268 PolarHBondContact NH2-OE2 3.04Å
42I95.1Very high95.2Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-66-43.6171.7-64.4-60.7000111L37 P38 M39 T44 C45 V46 V65L37-I42 HydrophobicContact CD2-CD1 3.44Å; L37-I42 VanDerWaalsContact CD2-CD1 3.44Å; L37-I42 HydrophobicContact CD2-CG1 4.12Å; L37-I42 HydrophobicContact CG-CD1 4.05Å; L37-I42 HydrophobicContact CG-CG1 4.21Å; P38-I42 PolarHBondContact O-N 3.03Å; M39-I42 WeakPolarHBondContact O-CB 3.4Å; M39-I42 PolarHBondContact O-N 3.45Å; I42-T44 VanDerWaalsContact C-N 3.28Å; I42-T44 PolarHBondContact O-N 3.29Å; I42-C45 VanDerWaalsContact O-CB 3.32Å; I42-C45 WeakPolarHBondContact O-CB 3.43Å; I42-C45 PolarHBondContact O-N 2.84Å; I42-C45 VanDerWaalsContact O-N 3.1Å; I42-V46 HydrophobicContact CG2-CG2 4.38Å; I42-V46 WeakPolarHBondContact O-CG2 3.42Å; I42-V46 PolarHBondContact O-N 2.89Å; I42-V65 HydrophobicContact CD1-CB 3.93Å; I42-V65 HydrophobicContact CD1-CG1 4.09Å; I42-V65 HydrophobicContact CG1-CB 4.13Å; I42-V65 HydrophobicContact CG1-CG1 3.82Å
43D95.1Very high95.4Very high0 Ų022.6 Ų22.60%013%0.126CC..Hα-helixtrans-61.7-39.6177.3-69.4-35.4000111M39 G40 V46 E47 G67 K68 Q69 Q276 V278M39-D43 PolarHBondContact O-N 3.35Å; G40-D43 PolarHBondContact O-N 3.19Å; D43-V46 PolarHBondContact O-N 2.87Å; D43-E47 PolarHBondContact O-N 3.22Å; D43-G67 WeakPolarHBondContact OD1-CA 3.47Å; D43-K68 VanDerWaalsContact CG-N 3.33Å; D43-K68 PolarHBondContact OD1-N 3.12Å; D43-K68 WeakPolarHBondContact OD2-CB 3.46Å; D43-K68 PolarHBondContact OD2-N 2.87Å; D43-Q69 PolarHBondContact OD1-N 2.74Å; D43-Q276 HydrophobicContact CB-CB 4.39Å; D43-Q276 HydrophobicContact CB-CG 3.84Å; D43-V278 WeakPolarHBondContact OD2-CG2 3.35Å
44T96.6Very high95.6Very high10 Ų1021.5 Ų21.56%0.06112%0.119CC..Hα-helixtrans-60.8-43.9170.6-58.90000112.6G40 R41 I42 V46 E47 I48 F135 P273G40-T44 PolarHBondContact O-N 2.93Å; G40-T44 PolarHBondContact O-OG1 3.35Å; G40-T44 VanDerWaalsContact O-OG1 3.05Å; R41-T44 PolarHBondContact O-N 3.49Å; I42-T44 VanDerWaalsContact C-N 3.28Å; I42-T44 PolarHBondContact O-N 3.29Å; T44-V46 VanDerWaalsContact C-N 3.3Å; T44-V46 PolarHBondContact O-N 3.33Å; T44-E47 PolarHBondContact O-N 3.33Å; T44-I48 HydrophobicContact CG2-CD1 4.04Å; T44-I48 WeakPolarHBondContact O-CG1 3.29Å; T44-I48 PolarHBondContact O-N 3.1Å; T44-F135 HydrophobicContact CG2-CE1 4.24Å; T44-F135 HydrophobicContact CG2-CE2 3.56Å; T44-F135 HydrophobicContact CG2-CZ 3.34Å; T44-P273 HydrophobicContact CG2-CB 3.64Å; T44-P273 HydrophobicContact CG2-CG 3.42Å; T44-P273 VanDerWaalsContact CG2-CG 3.42Å
45C97.4Very high95.8Very high0 Ų021.5 Ų21.50%012%0.119CC..Hα-helixtrans-58-43.3173.4-68.20000111.7R41 I42 I48 A49 F56 L72 F135R41-C45 PolarHBondContact O-N 3.15Å; R41-C45 PolarHBondContact O-SG 3.12Å; I42-C45 VanDerWaalsContact O-CB 3.32Å; I42-C45 WeakPolarHBondContact O-CB 3.43Å; I42-C45 PolarHBondContact O-N 2.84Å; I42-C45 VanDerWaalsContact O-N 3.1Å; C45-I48 PolarHBondContact O-N 3.41Å; C45-A49 WeakPolarHBondContact O-CB 3.27Å; C45-A49 PolarHBondContact O-N 2.89Å; C45-F56 HydrophobicContact CB-CE1 4Å; C45-F56 HydrophobicContact CB-CE2 4.31Å; C45-F56 HydrophobicContact CB-CZ 3.57Å; C45-L72 HydrophobicContact CB-CD1 4.19Å; C45-L72 HydrophobicContact CB-CD2 3.91Å; C45-L72 HydrophobicContact CB-CG 4.22Å; C45-F135 VanDerWaalsContact SG-CD1 3.54Å; C45-F135 WeakPolarHBondContact SG-CE1 3.49Å
46V97.1Very high96.1Very high2 Ų221.4 Ų21.41%0.01212%0.118CC..Hα-helixtrans-66-41-179.9170.10000111.1I42 D43 T44 A49 S50 L72 A75I42-V46 HydrophobicContact CG2-CG2 4.38Å; I42-V46 WeakPolarHBondContact O-CG2 3.42Å; I42-V46 PolarHBondContact O-N 2.89Å; D43-V46 PolarHBondContact O-N 2.87Å; T44-V46 VanDerWaalsContact C-N 3.3Å; T44-V46 PolarHBondContact O-N 3.33Å; V46-A49 PolarHBondContact O-N 3.05Å; V46-S50 WeakPolarHBondContact O-CB 3.37Å; V46-S50 PolarHBondContact O-N 3.5Å; V46-S50 PolarHBondContact O-OG 2.89Å; V46-L72 HydrophobicContact CG2-CD2 4.32Å; V46-A75 HydrophobicContact CG1-CB 4.03Å; V46-A75 HydrophobicContact CG2-CB 4.17Å
47E97.1Very high96.4Very high54 Ų5421.3 Ų21.325%0.25212%0.118SC..Hα-helixtrans-58.8-53.9174.4-176.5179.316500110.8D43 T44 A49 S50 H51 P273 A274 Q276D43-E47 PolarHBondContact O-N 3.22Å; T44-E47 PolarHBondContact O-N 3.33Å; E47-A49 PolarHBondContact O-N 3.41Å; E47-S50 WeakPolarHBondContact O-CB 3.32Å; E47-S50 PolarHBondContact O-N 3.02Å; E47-S50 VanDerWaalsContact O-N 3.13Å; E47-H51 PolarHBondContact O-CD2 3.37Å; E47-P273 VanDerWaalsContact OE1-CA 3.29Å; E47-P273 WeakPolarHBondContact OE1-CA 3.48Å; E47-A274 PolarHBondContact OE1-N 3.45Å; E47-A274 VanDerWaalsContact OE1-N 3.12Å; E47-A274 PolarHBondContact OE2-N 3.12Å; E47-Q276 PolarHBondContact OE2-NE2 3.32Å
48I98Very high96.6Very high1 Ų121.3 Ų21.31%0.00512%0.118CC..Hα-helixtrans-60.6-44.9179-64171.3000111T44 C45 S50 H51 V54 F56 V104 F135 F271T44-I48 HydrophobicContact CG2-CD1 4.04Å; T44-I48 WeakPolarHBondContact O-CG1 3.29Å; T44-I48 PolarHBondContact O-N 3.1Å; C45-I48 PolarHBondContact O-N 3.41Å; I48-S50 PolarHBondContact O-N 3.33Å; I48-H51 WeakPolarHBondContact O-CB 3.17Å; I48-H51 PolarHBondContact O-N 3.41Å; I48-V54 HydrophobicContact CG2-CG1 4.41Å; I48-F56 HydrophobicContact CB-CD2 4.32Å; I48-F56 HydrophobicContact CB-CE2 4.07Å; I48-F56 HydrophobicContact CG2-CD2 3.94Å; I48-F56 HydrophobicContact CG2-CE2 3.94Å; I48-V104 HydrophobicContact CG2-CB 4.41Å; I48-V104 HydrophobicContact CG2-CG1 4.26Å; I48-V104 HydrophobicContact CG2-CG2 3.87Å; I48-F135 HydrophobicContact CD1-CD2 4.1Å; I48-F135 HydrophobicContact CD1-CE2 4.35Å; I48-F135 HydrophobicContact CD1-CG 4.4Å; I48-F271 HydrophobicContact CD1-CB 4.48Å; I48-F271 HydrophobicContact CG1-CB 4.06Å; I48-F271 HydrophobicContact CG1-CD2 4.43Å; I48-F271 HydrophobicContact CG1-CG 4.25Å; I48-F271 HydrophobicContact CG2-CD1 4.41Å; I48-F271 HydrophobicContact CG2-CD2 3.84Å; I48-F271 HydrophobicContact CG2-CE2 3.98Å; I48-F271 HydrophobicContact CG2-CG 4.1Å; I48-F271 HydrophobicContact CG2-CZ 4.31Å
49A98Very high96.8Very high1 Ų123.2 Ų23.21%0.00813%0.126CC..Hα-helixtrans-64.4-23.5179.600000113.5C45 V46 E47 H51 F56 L72 A80 V82C45-A49 WeakPolarHBondContact O-CB 3.27Å; C45-A49 PolarHBondContact O-N 2.89Å; V46-A49 PolarHBondContact O-N 3.05Å; E47-A49 PolarHBondContact O-N 3.41Å; A49-H51 VanDerWaalsContact C-N 3.27Å; A49-H51 PolarHBondContact O-N 2.87Å; A49-F56 HydrophobicContact CB-CB 3.67Å; A49-F56 HydrophobicContact CB-CD1 4.47Å; A49-F56 HydrophobicContact CB-CD2 3.95Å; A49-F56 HydrophobicContact CB-CG 3.78Å; A49-L72 HydrophobicContact CB-CD2 4.26Å; A49-A80 HydrophobicContact CB-CB 4.31Å; A49-A80 VanDerWaalsContact O-CB 3.3Å; A49-A80 WeakPolarHBondContact O-CB 3.48Å; A49-V82 HydrophobicContact CB-CG2 4.04Å
50S96.9Very high96.9Very high69 Ų6924 Ų2448%0.48314%0.141SC..THydrogen-bonded Turntrans-78.6-9.9-179-610000113.2V46 E47 I48V46-S50 WeakPolarHBondContact O-CB 3.37Å; V46-S50 PolarHBondContact O-N 3.5Å; V46-S50 PolarHBondContact O-OG 2.89Å; E47-S50 WeakPolarHBondContact O-CB 3.32Å; E47-S50 PolarHBondContact O-N 3.02Å; E47-S50 VanDerWaalsContact O-N 3.13Å; I48-S50 PolarHBondContact O-N 3.33Å
51H97.7Very high96.8Very high67 Ų6727.2 Ų27.231%0.3116%0.156SC..SBendtrans-66.8127.1171.9-80.7-92.8000110.9E47 I48 A49 E53 V54E47-H51 PolarHBondContact O-CD2 3.37Å; I48-H51 WeakPolarHBondContact O-CB 3.17Å; I48-H51 PolarHBondContact O-N 3.41Å; A49-H51 VanDerWaalsContact C-N 3.27Å; A49-H51 PolarHBondContact O-N 2.87Å; H51-E53 IonicContact ND1-OE1 2.79Å; H51-E53 IonicContact ND1-OE2 3.54Å; H51-E53 PolarHBondContact O-N 3.06Å; H51-E53 VanDerWaalsContact O-N 3.17Å; H51-V54 HydrophobicContact CB-CB 4.11Å; H51-V54 HydrophobicContact CB-CG2 3.56Å; H51-V54 WeakPolarHBondContact O-CB 3.39Å; H51-V54 PolarHBondContact O-N 3.22Å
52P97Very high96.8Very high108 Ų10825.1 Ų25.170%0.70115%0.148SC*.THydrogen-bonded Turntrans-65.4-23.3-172.826.1-34.8000113.8V54 R101P52-V54 VanDerWaalsContact C-N 3.34Å; P52-R101 PolarHBondContact O-NH1 3.04Å; P52-R101 PolarHBondContact O-NH2 3.01Å; P52-R101 VanDerWaalsContact O-NH2 3.09Å
53E98Very high96.8Very high57 Ų5725.5 Ų25.527%0.26615%0.15SC..THydrogen-bonded Turntrans-83.2-8.4175.877.2-85.7-156.600114H51 R101 K102H51-E53 IonicContact ND1-OE1 2.79Å; H51-E53 IonicContact ND1-OE2 3.54Å; H51-E53 PolarHBondContact O-N 3.06Å; H51-E53 VanDerWaalsContact O-N 3.17Å; E53-R101 WeakPolarHBondContact O-CA 3.5Å; E53-R101 PolarHBondContact O-NE 3.2Å; E53-R101 VanDerWaalsContact O-NE 3.08Å; E53-K102 HydrophobicContact CG-CB 4.45Å; E53-K102 HydrophobicContact CG-CD 3.74Å; E53-K102 HydrophobicContact CG-CG 4.01Å; E53-K102 PolarHBondContact O-N 3.45Å; E53-K102 IonicContact OE1-NZ 3.44Å; E53-K102 PolarHBondContact OE1-NZ 3.35Å
54V98.7Very high96.7Very high0 Ų032 Ų320%018%0.175CC..EExtended strand (participates in β ladder)trans-88.1140.4-172.5171.20000111.7I48 H51 P52 F56 R101 K102 V104 F271I48-V54 HydrophobicContact CG2-CG1 4.41Å; H51-V54 HydrophobicContact CB-CB 4.11Å; H51-V54 HydrophobicContact CB-CG2 3.56Å; H51-V54 WeakPolarHBondContact O-CB 3.39Å; H51-V54 PolarHBondContact O-N 3.22Å; P52-V54 VanDerWaalsContact C-N 3.34Å; V54-F56 HydrophobicContact CG1-CB 4.13Å; V54-F56 HydrophobicContact CG1-CD2 4.42Å; V54-R101 PolarHBondContact O-NH2 2.94Å; V54-K102 CarbonylContact C-O 3.54Å; V54-K102 VanDerWaalsContact CA-O 3.26Å; V54-K102 WeakPolarHBondContact CA-O 3.26Å; V54-K102 HydrophobicContact CG2-CB 4.27Å; V54-V104 HydrophobicContact CG1-CB 4.45Å; V54-V104 HydrophobicContact CG1-CG2 3.94Å; V54-F271 HydrophobicContact CG2-CE1 3.53Å; V54-F271 HydrophobicContact CG2-CZ 3.48Å; V54-F271 VanDerWaalsContact CG2-CZ 3.48Å
55I98.8Very high96.6Very high0 Ų031.6 Ų31.60%017%0.172CC..EExtended strand (participates in β ladder)trans-111.1110.5158.3-57.2174.2000105.9R83 N98 R101 K102 V103 V104I55-R83 HydrophobicContact CG2-CG 3.93Å; I55-N98 HydrophobicContact CD1-CB 3.92Å; I55-R101 HydrophobicContact CD1-CB 3.94Å; I55-R101 HydrophobicContact CD1-CG 4.09Å; I55-R101 HydrophobicContact CG1-CB 4.14Å; I55-R101 HydrophobicContact CG1-CG 4.42Å; I55-K102 PolarHBondContact N-O 2.99Å; I55-V103 HydrophobicContact CB-CG2 4.17Å; I55-V103 HydrophobicContact CD1-CG2 4.24Å; I55-V103 WeakPolarHBondContact O-CA 3.49Å; I55-V104 PolarHBondContact O-N 2.92Å
56F98.8Very high96.2Very high0 Ų032.9 Ų32.90%018%0.18CC..EExtended strand (participates in β ladder)trans-94.8117.9-176.7-161.6-85.4000110.1C45 I48 A49 V54 L72 D81 V82 R83 V104 F106 F135C45-F56 HydrophobicContact CB-CE1 4Å; C45-F56 HydrophobicContact CB-CE2 4.31Å; C45-F56 HydrophobicContact CB-CZ 3.57Å; I48-F56 HydrophobicContact CB-CD2 4.32Å; I48-F56 HydrophobicContact CB-CE2 4.07Å; I48-F56 HydrophobicContact CG2-CD2 3.94Å; I48-F56 HydrophobicContact CG2-CE2 3.94Å; A49-F56 HydrophobicContact CB-CB 3.67Å; A49-F56 HydrophobicContact CB-CD1 4.47Å; A49-F56 HydrophobicContact CB-CD2 3.95Å; A49-F56 HydrophobicContact CB-CG 3.78Å; V54-F56 HydrophobicContact CG1-CB 4.13Å; V54-F56 HydrophobicContact CG1-CD2 4.42Å; F56-L72 HydrophobicContact CD1-CD1 4.37Å; F56-L72 HydrophobicContact CD1-CD2 4.03Å; F56-L72 HydrophobicContact CE1-CD1 3.92Å; F56-L72 HydrophobicContact CE1-CD2 4.04Å; F56-D81 PolarHBondContact N-O 2.98Å; F56-V82 HydrophobicContact CB-CG2 4.42Å; F56-V82 HydrophobicContact CD1-CG1 4.47Å; F56-V82 CarbonylContact O-C 3.59Å; F56-V82 VanDerWaalsContact O-CA 3.29Å; F56-V82 WeakPolarHBondContact O-CA 3.49Å; F56-R83 PolarHBondContact O-N 3.27Å; F56-V104 HydrophobicContact CD2-CB 3.94Å; F56-V104 HydrophobicContact CD2-CG1 3.99Å; F56-V104 HydrophobicContact CE2-CB 4.24Å; F56-V104 HydrophobicContact CE2-CG1 3.75Å; F56-F106 HydrophobicContact CE1-CB 3.69Å; F56-F106 HydrophobicContact CE1-CG 4.37Å; F56-F106 HydrophobicContact CZ-CB 3.77Å; F56-F106 HydrophobicContact CZ-CG 4.34Å; F56-F135 HydrophobicContact CZ-CD1 4.47Å
57C98.8Very high96Very high0 Ų033.3 Ų33.30%019%0.185CC..EExtended strand (participates in β ladder)trans-106.6131.4-175.8-60.80000110.4R83 V85 A91 V104 F105 F106C57-R83 WeakPolarHBondContact CA-O 3.42Å; C57-V85 HydrophobicContact CB-CG1 3.96Å; C57-V85 HydrophobicContact CB-CG2 4.15Å; C57-A91 HydrophobicContact CB-CB 3.71Å; C57-V104 WeakPolarHBondContact CB-O 3.46Å; C57-V104 PolarHBondContact N-O 3.02Å; C57-F105 HydrophobicContact CB-CD2 4.24Å; C57-F106 PolarHBondContact O-N 3.13Å
58T98.1Very high95.6Very high1 Ų137.9 Ų37.91%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-146.8161.7177.6-172.20000111M63 L72 V82 R83 I84 V85T58-M63 HydrophobicContact CG2-CG 4.05Å; T58-M63 HydrophobicContact CG2-SD 3.5Å; T58-M63 VanDerWaalsContact CG2-SD 3.5Å; T58-L72 HydrophobicContact CG2-CD1 4Å; T58-V82 HydrophobicContact CG2-CG1 4.24Å; T58-R83 PolarHBondContact N-O 2.85Å; T58-R83 VanDerWaalsContact N-O 3.08Å; T58-I84 CarbonylContact O-C 3.49Å; T58-I84 VanDerWaalsContact O-CA 3.29Å; T58-I84 WeakPolarHBondContact O-CA 3.27Å; T58-V85 PolarHBondContact O-N 3.07Å
59F96.3Very high95.2Very high43 Ų4342.8 Ų42.819%0.18923%0.227CC..  trans-70.8156.4166.1-62.5-57.1000110.7D61 V85 P88 F105F59-D61 WeakPolarHBondContact CB-OD1 3.45Å; F59-D61 PolarHBondContact O-N 3.15Å; F59-V85 WeakPolarHBondContact CD1-O 3.25Å; F59-P88 HydrophobicContact CZ-CG 4.39Å; F59-F105 HydrophobicContact CE2-CE2 4.28Å; F59-F105 AromaticContact CE2-CZ 3.74Å; F59-F105 HydrophobicContact CE2-CZ 3.74Å; F59-F105 HydrophobicContact CZ-CE2 4.17Å; F59-F105 AromaticContact CZ-CZ 3.74Å; F59-F105 HydrophobicContact CZ-CZ 3.74Å
60G94.4Very high94.9Very high41 Ų4143.3 Ų43.342%0.42323%0.232SC..THydrogen-bonded Turntrans-67.2-21.1-17300000114.5M63G60-M63 WeakPolarHBondContact O-CB 3.36Å
61D91.3Very high94.8Very high74 Ų7440.5 Ų40.540%0.39621%0.212SC..THydrogen-bonded Turntrans-73.5-34.5-176.858.4-7.9000113.3V34 F59 M63V34-D61 HydrophobicContact CG2-CB 3.94Å; V34-D61 WeakPolarHBondContact CG2-OD2 3.33Å; F59-D61 WeakPolarHBondContact CB-OD1 3.45Å; F59-D61 PolarHBondContact O-N 3.15Å; D61-M63 VanDerWaalsContact C-N 3.33Å; D61-M63 PolarHBondContact O-N 3.49Å
62A93.5Very high94.8Very high0 Ų037.3 Ų37.30%020%0.198CC..G310 helixtrans-76.4-17.417700000113.6R64 V65 F106 L108A62-R64 PolarHBondContact O-N 3.11Å; A62-R64 VanDerWaalsContact O-N 3.11Å; A62-V65 PolarHBondContact O-N 3.23Å; A62-V65 VanDerWaalsContact O-N 3.15Å; A62-F106 HydrophobicContact CB-CD1 4.35Å; A62-F106 HydrophobicContact CB-CE1 4.06Å; A62-L108 HydrophobicContact CB-CD2 4.16Å
63M94.8Very high94.7Very high7 Ų736.2 Ų36.23%0.03419%0.185CC..G310 helixtrans-57.2-33.4-171.1-78.7-67.6-63.200114.6T58 G60 D61 S71 L72 L73 K76 V82 I84T58-M63 HydrophobicContact CG2-CG 4.05Å; T58-M63 HydrophobicContact CG2-SD 3.5Å; T58-M63 VanDerWaalsContact CG2-SD 3.5Å; G60-M63 WeakPolarHBondContact O-CB 3.36Å; D61-M63 VanDerWaalsContact C-N 3.33Å; D61-M63 PolarHBondContact O-N 3.49Å; M63-S71 WeakPolarHBondContact O-CB 3.49Å; M63-L72 HydrophobicContact SD-CB 4.06Å; M63-L73 HydrophobicContact CE-CB 4.08Å; M63-L73 HydrophobicContact CE-CD1 4.01Å; M63-L73 WeakPolarHBondContact O-CB 3.41Å; M63-L73 PolarHBondContact O-N 3.37Å; M63-K76 HydrophobicContact CE-CD 4.34Å; M63-V82 HydrophobicContact CE-CG1 4.13Å; M63-V82 HydrophobicContact SD-CG1 3.68Å; M63-I84 HydrophobicContact CG-CD1 3.93Å; M63-I84 HydrophobicContact CG-CG1 3.84Å; M63-I84 HydrophobicContact SD-CG1 4.09Å
64R93.8Very high94.7Very high138 Ų13838.3 Ų38.352%0.52120%0.195SC..G310 helixtrans-102.8-0.9-175.3-66.7-170.6-57.8173.54.8113.5A62 P66 L73 V317A62-R64 PolarHBondContact O-N 3.11Å; A62-R64 VanDerWaalsContact O-N 3.11Å; R64-P66 WeakPolarHBondContact O-CD 3.49Å; R64-L73 HydrophobicContact CG-CD2 3.98Å; R64-V317 HydrophobicContact CB-CG1 3.65Å
65V93.2Very high94.6Very high0 Ų038.3 Ų38.30%020%0.196CC..  trans-63.9126.2179.4-1770000108.3V34 L37 I42 A62 S71 A314 V317V34-V65 HydrophobicContact CG1-CG2 3.5Å; L37-V65 HydrophobicContact CD2-CG1 4.34Å; L37-V65 HydrophobicContact CD2-CG2 4.46Å; I42-V65 HydrophobicContact CD1-CB 3.93Å; I42-V65 HydrophobicContact CD1-CG1 4.09Å; I42-V65 HydrophobicContact CG1-CB 4.13Å; I42-V65 HydrophobicContact CG1-CG1 3.82Å; A62-V65 PolarHBondContact O-N 3.23Å; A62-V65 VanDerWaalsContact O-N 3.15Å; V65-S71 VanDerWaalsContact O-CB 3.28Å; V65-S71 WeakPolarHBondContact O-CB 3.35Å; V65-A314 HydrophobicContact CG1-CB 4.12Å; V65-V317 HydrophobicContact CG2-CG1 4.2Å
66P90.6Very high94.6Very high27 Ų2742.9 Ų42.918%0.17522%0.215CC..  trans-76130.4-177.929.7-34.8000110.8M39 R64M39-P66 WeakPolarHBondContact CG-O 3.28Å; R64-P66 WeakPolarHBondContact O-CD 3.49Å
67G91.8Very high94.5Very high11 Ų1147.1 Ų47.111%0.11325%0.251CS..BIsolated β-bridgetrans-100.5-179.4156.800000111D43 Q69 G70D43-G67 WeakPolarHBondContact OD1-CA 3.47Å; G67-Q69 VanDerWaalsContact C-N 3.32Å; G67-G70 WeakPolarHBondContact CA-O 3.44Å; G67-G70 PolarHBondContact N-O 2.87Å; G67-G70 VanDerWaalsContact N-O 3.12Å; G67-G70 PolarHBondContact O-N 3.24Å
68K90.1Very high94.4Very high150 Ų15054.1 Ų54.165%0.65228%0.277SS*.THydrogen-bonded Turntrans-66.7-34.9176-170.8-179179.5177.40112D43 G70 V278D43-K68 VanDerWaalsContact CG-N 3.33Å; D43-K68 PolarHBondContact OD1-N 3.12Å; D43-K68 WeakPolarHBondContact OD2-CB 3.46Å; D43-K68 PolarHBondContact OD2-N 2.87Å; K68-G70 VanDerWaalsContact C-N 3.28Å; K68-V278 HydrophobicContact CB-CG1 3.96Å; K68-V278 HydrophobicContact CB-CG2 4.33Å; K68-V278 HydrophobicContact CD-CG1 4.39Å
69Q88.8Confident94.4Very high105 Ų10557.3 Ų57.349%0.49131%0.31SS..THydrogen-bonded Turntrans-93.713.4179.4-56.2-171.6300112.7D43 G67 R78D43-Q69 PolarHBondContact OD1-N 2.74Å; G67-Q69 VanDerWaalsContact C-N 3.32Å; Q69-R78 PolarHBondContact O-NH1 2.83Å; Q69-R78 PolarHBondContact O-NH2 2.78Å
70G91.8Very high94.5Very high11 Ų1156 Ų5611%0.11331%0.307CS..BIsolated β-bridgetrans97.9-170.7-17600000113.4G67 K68G67-G70 WeakPolarHBondContact CA-O 3.44Å; G67-G70 PolarHBondContact N-O 2.87Å; G67-G70 VanDerWaalsContact N-O 3.12Å; G67-G70 PolarHBondContact O-N 3.24Å; K68-G70 VanDerWaalsContact C-N 3.28Å
71S94.8Very high94.7Very high10 Ų1056.4 Ų56.47%0.0730%0.3CS..  trans-99.1168.2-178.365.30000112.8M63 V65 L73 Q74 A75M63-S71 WeakPolarHBondContact O-CB 3.49Å; V65-S71 VanDerWaalsContact O-CB 3.28Å; V65-S71 WeakPolarHBondContact O-CB 3.35Å; S71-L73 PolarHBondContact O-N 2.84Å; S71-Q74 PolarHBondContact O-N 2.94Å; S71-Q74 PolarHBondContact OG-N 3.37Å; S71-A75 PolarHBondContact O-N 3.14Å
72L97Very high95Very high0 Ų052.9 Ų52.90%028%0.281CS..Hα-helixtrans-58.6-33.3171-80.4173.6000112.5C45 V46 A49 F56 T58 M63 Q74 A75 K76 V82C45-L72 HydrophobicContact CB-CD1 4.19Å; C45-L72 HydrophobicContact CB-CD2 3.91Å; C45-L72 HydrophobicContact CB-CG 4.22Å; V46-L72 HydrophobicContact CG2-CD2 4.32Å; A49-L72 HydrophobicContact CB-CD2 4.26Å; F56-L72 HydrophobicContact CD1-CD1 4.37Å; F56-L72 HydrophobicContact CD1-CD2 4.03Å; F56-L72 HydrophobicContact CE1-CD1 3.92Å; F56-L72 HydrophobicContact CE1-CD2 4.04Å; T58-L72 HydrophobicContact CG2-CD1 4Å; M63-L72 HydrophobicContact SD-CB 4.06Å; L72-Q74 VanDerWaalsContact C-N 3.35Å; L72-A75 PolarHBondContact O-N 2.91Å; L72-K76 WeakPolarHBondContact O-CB 3.32Å; L72-K76 PolarHBondContact O-N 3.24Å; L72-V82 HydrophobicContact CB-CG1 4.42Å; L72-V82 HydrophobicContact CD2-CG1 4.43Å; L72-V82 HydrophobicContact CD2-CG2 4.31Å
73L96.2Very high95.3Very high85 Ų8556.7 Ų56.745%0.44530%0.295SS..Hα-helixtrans-63.2-40.4172.7-176.962.6000112.1M63 R64 S71 K76 A77M63-L73 HydrophobicContact CE-CB 4.08Å; M63-L73 HydrophobicContact CE-CD1 4.01Å; M63-L73 WeakPolarHBondContact O-CB 3.41Å; M63-L73 PolarHBondContact O-N 3.37Å; R64-L73 HydrophobicContact CG-CD2 3.98Å; S71-L73 PolarHBondContact O-N 2.84Å; L73-K76 WeakPolarHBondContact O-CB 3.47Å; L73-K76 PolarHBondContact O-N 3.08Å; L73-A77 PolarHBondContact O-N 3.34Å
74Q96.5Very high95.4Very high101 Ų10160.1 Ų60.147%0.47231%0.313SS..Hα-helixtrans-72.4-36.9176-69.4171-33.300111.8S71 L72 K76 A77 R78S71-Q74 PolarHBondContact O-N 2.94Å; S71-Q74 PolarHBondContact OG-N 3.37Å; L72-Q74 VanDerWaalsContact C-N 3.35Å; Q74-K76 VanDerWaalsContact C-N 3.3Å; Q74-K76 PolarHBondContact O-N 3.49Å; Q74-A77 WeakPolarHBondContact O-CB 3.48Å; Q74-A77 PolarHBondContact O-N 3.32Å; Q74-A77 VanDerWaalsContact O-N 3.16Å; Q74-R78 WeakPolarHBondContact O-CG 3.34Å; Q74-R78 PolarHBondContact O-N 3.01Å
75A97.5Very high95.7Very high1 Ų153.9 Ų53.91%0.00829%0.29CS..Hα-helixtrans-58.7-43.7171.900000111.4V46 S71 L72 A77 R78 G79 A80V46-A75 HydrophobicContact CG1-CB 4.03Å; V46-A75 HydrophobicContact CG2-CB 4.17Å; S71-A75 PolarHBondContact O-N 3.14Å; L72-A75 PolarHBondContact O-N 2.91Å; A75-A77 VanDerWaalsContact C-N 3.35Å; A75-A77 PolarHBondContact O-N 3.12Å; A75-R78 CarbonylContact O-C 3.07Å; A75-R78 WeakPolarHBondContact O-CA 3.33Å; A75-R78 WeakPolarHBondContact O-CB 3.11Å; A75-R78 PolarHBondContact O-N 3.18Å; A75-R78 VanDerWaalsContact O-N 3.08Å; A75-G79 PolarHBondContact O-N 3.5Å; A75-A80 HydrophobicContact CB-CB 4.23Å; A75-A80 WeakPolarHBondContact O-CB 3.43Å; A75-A80 PolarHBondContact O-N 3.12Å; A75-A80 VanDerWaalsContact O-N 3.12Å
76K98Very high95.8Very high95 Ų9563.9 Ų63.941%0.41333%0.329SS..Hα-helixtrans-58.6-44.3172.6-173174.6-177.1152.50112.5M63 L72 L73 Q74 R78 G79 A80 V82M63-K76 HydrophobicContact CE-CD 4.34Å; L72-K76 WeakPolarHBondContact O-CB 3.32Å; L72-K76 PolarHBondContact O-N 3.24Å; L73-K76 WeakPolarHBondContact O-CB 3.47Å; L73-K76 PolarHBondContact O-N 3.08Å; Q74-K76 VanDerWaalsContact C-N 3.3Å; Q74-K76 PolarHBondContact O-N 3.49Å; K76-R78 PolarHBondContact O-N 2.89Å; K76-G79 PolarHBondContact O-N 2.73Å; K76-A80 WeakPolarHBondContact CA-O 3.48Å; K76-V82 HydrophobicContact CB-CB 4.1Å; K76-V82 HydrophobicContact CB-CG2 4.24Å; K76-V82 HydrophobicContact CD-CB 4.38Å; K76-V82 WeakPolarHBondContact CD-O 3.42Å; K76-V82 WeakPolarHBondContact CE-O 3.24Å; K76-V82 HydrophobicContact CG-CB 4.42Å; K76-V82 PolarHBondContact NZ-O 3.08Å
77A97.5Very high96.1Very high90 Ų9064.3 Ų64.374%0.74433%0.333SS*.Hα-helixtrans-63.5-26176.200000113.2L73 Q74 A75 G79L73-A77 PolarHBondContact O-N 3.34Å; Q74-A77 WeakPolarHBondContact O-CB 3.48Å; Q74-A77 PolarHBondContact O-N 3.32Å; Q74-A77 VanDerWaalsContact O-N 3.16Å; A75-A77 VanDerWaalsContact C-N 3.35Å; A75-A77 PolarHBondContact O-N 3.12Å; A77-G79 VanDerWaalsContact C-N 3.31Å
78R97.3Very high96.4Very high146 Ų14664 Ų6455%0.55133%0.329SS*.THydrogen-bonded Turntrans-82.6-1.7172.9-66.5-175.3-61.3-104.59.1114Q69 Q74 A75 K76Q69-R78 PolarHBondContact O-NH1 2.83Å; Q69-R78 PolarHBondContact O-NH2 2.78Å; Q74-R78 WeakPolarHBondContact O-CG 3.34Å; Q74-R78 PolarHBondContact O-N 3.01Å; A75-R78 CarbonylContact O-C 3.07Å; A75-R78 WeakPolarHBondContact O-CA 3.33Å; A75-R78 WeakPolarHBondContact O-CB 3.11Å; A75-R78 PolarHBondContact O-N 3.18Å; A75-R78 VanDerWaalsContact O-N 3.08Å; K76-R78 PolarHBondContact O-N 2.89Å
79G97.6Very high96.8Very high68 Ų6859.8 Ų59.870%0.70131%0.313SS*.THydrogen-bonded Turntrans106.31.9175.500000115.8A75 K76 A77A75-G79 PolarHBondContact O-N 3.5Å; K76-G79 PolarHBondContact O-N 2.73Å; A77-G79 VanDerWaalsContact C-N 3.31Å
80A98.2Very high97.3Very high16 Ų1657.7 Ų57.713%0.13231%0.305CS..  trans-64.5138.5170.700000111A49 A75 K76 V82A49-A80 HydrophobicContact CB-CB 4.31Å; A49-A80 VanDerWaalsContact O-CB 3.3Å; A49-A80 WeakPolarHBondContact O-CB 3.48Å; A75-A80 HydrophobicContact CB-CB 4.23Å; A75-A80 WeakPolarHBondContact O-CB 3.43Å; A75-A80 PolarHBondContact O-N 3.12Å; A75-A80 VanDerWaalsContact O-N 3.12Å; K76-A80 WeakPolarHBondContact CA-O 3.48Å; A80-V82 VanDerWaalsContact C-N 3.32Å; A80-V82 HydrophobicContact CB-CG2 4.02Å; A80-V82 PolarHBondContact O-N 3.44Å
81D98.6Very high97.6Very high49 Ų4957.2 Ų57.226%0.26230%0.299SS..  trans-8180.8175.9-169.7-7.9000110F56 R83 R101F56-D81 PolarHBondContact N-O 2.98Å; D81-R83 WeakPolarHBondContact OD1-CG 3.47Å; D81-R83 IonicContact OD1-CZ 3.04Å; D81-R83 IonicContact OD1-NE 3.08Å; D81-R83 PolarHBondContact OD1-NE 3.23Å; D81-R83 IonicContact OD1-NH2 2.98Å; D81-R83 IonicContact OD2-CZ 3.74Å; D81-R83 IonicContact OD2-NE 2.89Å; D81-R83 PolarHBondContact OD2-NE 3.35Å; D81-R83 IonicContact OD2-NH2 3.68Å; D81-R83 PolarHBondContact OD2-NH2 2.86Å; D81-R101 IonicContact OD2-NH2 3.93Å
82V98.6Very high97.8Very high1 Ų156.7 Ų56.71%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-99.9121.7175.2-171.50000110.2A49 F56 T58 M63 L72 K76 A80A49-V82 HydrophobicContact CB-CG2 4.04Å; F56-V82 HydrophobicContact CB-CG2 4.42Å; F56-V82 HydrophobicContact CD1-CG1 4.47Å; F56-V82 CarbonylContact O-C 3.59Å; F56-V82 VanDerWaalsContact O-CA 3.29Å; F56-V82 WeakPolarHBondContact O-CA 3.49Å; T58-V82 HydrophobicContact CG2-CG1 4.24Å; M63-V82 HydrophobicContact CE-CG1 4.13Å; M63-V82 HydrophobicContact SD-CG1 3.68Å; L72-V82 HydrophobicContact CB-CG1 4.42Å; L72-V82 HydrophobicContact CD2-CG1 4.43Å; L72-V82 HydrophobicContact CD2-CG2 4.31Å; K76-V82 HydrophobicContact CB-CB 4.1Å; K76-V82 HydrophobicContact CB-CG2 4.24Å; K76-V82 HydrophobicContact CD-CB 4.38Å; K76-V82 WeakPolarHBondContact CD-O 3.42Å; K76-V82 WeakPolarHBondContact CE-O 3.24Å; K76-V82 HydrophobicContact CG-CB 4.42Å; K76-V82 PolarHBondContact NZ-O 3.08Å; A80-V82 VanDerWaalsContact C-N 3.32Å; A80-V82 HydrophobicContact CB-CG2 4.02Å; A80-V82 PolarHBondContact O-N 3.44Å
83R98.3Very high97.9Very high79 Ų7962.2 Ų62.230%0.29832%0.32SS..EExtended strand (participates in β ladder)trans-116.5133.7-178.1-57-169.9-171.5-178.47.4110.7I55 F56 C57 T58 D81I55-R83 HydrophobicContact CG2-CG 3.93Å; F56-R83 PolarHBondContact O-N 3.27Å; C57-R83 WeakPolarHBondContact CA-O 3.42Å; T58-R83 PolarHBondContact N-O 2.85Å; T58-R83 VanDerWaalsContact N-O 3.08Å; D81-R83 WeakPolarHBondContact OD1-CG 3.47Å; D81-R83 IonicContact OD1-CZ 3.04Å; D81-R83 IonicContact OD1-NE 3.08Å; D81-R83 PolarHBondContact OD1-NE 3.23Å; D81-R83 IonicContact OD1-NH2 2.98Å; D81-R83 IonicContact OD2-CZ 3.74Å; D81-R83 IonicContact OD2-NE 2.89Å; D81-R83 PolarHBondContact OD2-NE 3.35Å; D81-R83 IonicContact OD2-NH2 3.68Å; D81-R83 PolarHBondContact OD2-NH2 2.86Å
84I98.2Very high98Very high79 Ų7959.4 Ų59.441%0.40531%0.305SS..EExtended strand (participates in β ladder)trans-82128.6171.5-62.2172.2000107.5T58 M63T58-I84 CarbonylContact O-C 3.49Å; T58-I84 VanDerWaalsContact O-CA 3.29Å; T58-I84 WeakPolarHBondContact O-CA 3.27Å; M63-I84 HydrophobicContact CG-CD1 3.93Å; M63-I84 HydrophobicContact CG-CG1 3.84Å; M63-I84 HydrophobicContact SD-CG1 4.09Å
85V98.3Very high98.1Very high7 Ų754.6 Ų54.64%0.04228%0.283CS..  trans-116.7159.9174.6-67.20000110.2C57 T58 F59 D90 A91 L94 F105C57-V85 HydrophobicContact CB-CG1 3.96Å; C57-V85 HydrophobicContact CB-CG2 4.15Å; T58-V85 PolarHBondContact O-N 3.07Å; F59-V85 WeakPolarHBondContact CD1-O 3.25Å; V85-D90 HydrophobicContact CB-CB 3.97Å; V85-D90 HydrophobicContact CG1-CB 3.92Å; V85-A91 HydrophobicContact CG1-CB 4.47Å; V85-L94 HydrophobicContact CG1-CD1 4.27Å; V85-F105 HydrophobicContact CG2-CD2 4.1Å; V85-F105 HydrophobicContact CG2-CE2 3.87Å
86Y96.5Very high98.1Very high210 Ų21058.9 Ų58.982%0.82430%0.303SS*.SBendtrans-109.8-11.7178.1-64.2-81.6000112.5D90Y86-D90 PolarHBondContact N-OD2 3.24Å; Y86-D90 VanDerWaalsContact N-OD2 3.12Å
87S97.5Very high98.1Very high36 Ų3659.7 Ų59.725%0.25231%0.308SS..SBendtrans-145.8155.1169.870.30000111.2M89 D90S87-M89 PolarHBondContact O-N 3.36Å; S87-M89 PolarHBondContact OG-N 3.47Å; S87-D90 PolarHBondContact N-OD2 2.96Å; S87-D90 WeakPolarHBondContact O-CB 3.48Å; S87-D90 PolarHBondContact O-N 3.47Å; S87-D90 VanDerWaalsContact O-N 3.08Å; S87-D90 PolarHBondContact OG-N 3.3Å; S87-D90 PolarHBondContact OG-OD1 3.44Å; S87-D90 PolarHBondContact OG-OD2 3.45Å; S87-D90 VanDerWaalsContact OG-OD2 3.12Å
88P98.2Very high98.2Very high4 Ų457.4 Ų57.43%0.02628%0.283CS..Hα-helixtrans-59.5-29.1170.6-19.831.1000112.2F59 D90 A91 L92 F105 T120F59-P88 HydrophobicContact CZ-CG 4.39Å; P88-D90 VanDerWaalsContact C-N 3.28Å; P88-D90 PolarHBondContact O-N 3.42Å; P88-A91 WeakPolarHBondContact O-CB 3.45Å; P88-A91 PolarHBondContact O-N 3.05Å; P88-A91 VanDerWaalsContact O-N 3.14Å; P88-L92 PolarHBondContact O-N 2.83Å; P88-L92 VanDerWaalsContact O-N 3.08Å; P88-F105 HydrophobicContact CB-CD1 3.93Å; P88-F105 HydrophobicContact CB-CE1 3.56Å; P88-F105 HydrophobicContact CB-CE2 4.49Å; P88-F105 HydrophobicContact CB-CZ 3.89Å; P88-F105 HydrophobicContact CG-CD1 4.47Å; P88-F105 HydrophobicContact CG-CE1 3.62Å; P88-F105 HydrophobicContact CG-CZ 3.68Å; P88-T120 HydrophobicContact CB-CG2 3.94Å; P88-T120 WeakPolarHBondContact CB-OG1 3.44Å; P88-T120 WeakPolarHBondContact O-CG2 3.44Å
89M98.1Very high98.2Very high63 Ų6355.1 Ų55.131%0.3129%0.287SS..Hα-helixtrans-63.7-29.4175.3-74.7-61.6-57.400113.4S87 A91 L92 K93 T120 Q123S87-M89 PolarHBondContact O-N 3.36Å; S87-M89 PolarHBondContact OG-N 3.47Å; M89-A91 VanDerWaalsContact C-N 3.33Å; M89-L92 HydrophobicContact CE-CD2 4.05Å; M89-L92 PolarHBondContact O-N 3.25Å; M89-L92 HydrophobicContact SD-CD2 4.03Å; M89-K93 WeakPolarHBondContact O-CB 3.31Å; M89-K93 PolarHBondContact O-N 3.46Å; M89-T120 WeakPolarHBondContact CG-OG1 3.14Å; M89-T120 HydrophobicContact SD-CG2 3.89Å; M89-T120 PolarHBondContact SD-OG1 3.02Å; M89-Q123 HydrophobicContact SD-CB 4.45Å; M89-Q123 HydrophobicContact SD-CG 4.47Å
90D98.4Very high98.2Very high61 Ų6158.1 Ų58.133%0.32629%0.292SS..Hα-helixtrans-66.1-39.1173.7-60.1-36.1000110.8V85 Y86 S87 P88 K93 L94V85-D90 HydrophobicContact CB-CB 3.97Å; V85-D90 HydrophobicContact CG1-CB 3.92Å; Y86-D90 PolarHBondContact N-OD2 3.24Å; Y86-D90 VanDerWaalsContact N-OD2 3.12Å; S87-D90 PolarHBondContact N-OD2 2.96Å; S87-D90 WeakPolarHBondContact O-CB 3.48Å; S87-D90 PolarHBondContact O-N 3.47Å; S87-D90 VanDerWaalsContact O-N 3.08Å; S87-D90 PolarHBondContact OG-N 3.3Å; S87-D90 PolarHBondContact OG-OD1 3.44Å; S87-D90 PolarHBondContact OG-OD2 3.45Å; S87-D90 VanDerWaalsContact OG-OD2 3.12Å; P88-D90 VanDerWaalsContact C-N 3.28Å; P88-D90 PolarHBondContact O-N 3.42Å; D90-K93 WeakPolarHBondContact O-CB 3.38Å; D90-K93 PolarHBondContact O-N 2.99Å; D90-L94 WeakPolarHBondContact O-CG 3.24Å; D90-L94 PolarHBondContact O-N 3.03Å
91A98.6Very high98.2Very high0 Ų060.8 Ų60.80%030%0.299CS..Hα-helixtrans-67-40175.400000111.2C57 V85 P88 M89 K93 L94 A95 V103 F105 F132C57-A91 HydrophobicContact CB-CB 3.71Å; V85-A91 HydrophobicContact CG1-CB 4.47Å; P88-A91 WeakPolarHBondContact O-CB 3.45Å; P88-A91 PolarHBondContact O-N 3.05Å; P88-A91 VanDerWaalsContact O-N 3.14Å; M89-A91 VanDerWaalsContact C-N 3.33Å; A91-K93 VanDerWaalsContact C-N 3.35Å; A91-K93 PolarHBondContact O-N 2.94Å; A91-L94 WeakPolarHBondContact O-CB 3.32Å; A91-L94 PolarHBondContact O-N 2.88Å; A91-A95 PolarHBondContact O-N 3.36Å; A91-V103 HydrophobicContact CB-CG1 4.48Å; A91-V103 WeakPolarHBondContact O-CG1 3.22Å; A91-F105 HydrophobicContact CB-CB 3.87Å; A91-F105 HydrophobicContact CB-CD2 4.01Å; A91-F105 HydrophobicContact CB-CG 4.17Å; A91-F132 HydrophobicContact CB-CE2 3.83Å; A91-F132 HydrophobicContact CB-CZ 4.38Å
92L98.7Very high98.2Very high0 Ų061.1 Ų61.10%030%0.298CS..Hα-helixtrans-61.5-43.4172.7179.358.2000111.6P88 M89 L94 A95 Q96 T120 Q123 A124 V129 F132P88-L92 PolarHBondContact O-N 2.83Å; P88-L92 VanDerWaalsContact O-N 3.08Å; M89-L92 HydrophobicContact CE-CD2 4.05Å; M89-L92 PolarHBondContact O-N 3.25Å; M89-L92 HydrophobicContact SD-CD2 4.03Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 3.35Å; L92-A95 VanDerWaalsContact O-CB 3.32Å; L92-A95 WeakPolarHBondContact O-CB 3.26Å; L92-A95 PolarHBondContact O-N 3.27Å; L92-A95 VanDerWaalsContact O-N 3.1Å; L92-Q96 WeakPolarHBondContact O-CG 3.47Å; L92-Q96 PolarHBondContact O-N 2.9Å; L92-Q96 VanDerWaalsContact O-N 3.12Å; L92-T120 HydrophobicContact CB-CG2 3.88Å; L92-T120 HydrophobicContact CD2-CG2 4.09Å; L92-Q123 HydrophobicContact CD2-CB 3.94Å; L92-A124 HydrophobicContact CD1-CB 3.65Å; L92-A124 HydrophobicContact CD2-CB 4.21Å; L92-V129 HydrophobicContact CD1-CB 4.11Å; L92-V129 HydrophobicContact CD1-CG1 4.11Å; L92-V129 HydrophobicContact CD1-CG2 3.92Å; L92-F132 HydrophobicContact CB-CE2 4.39Å; L92-F132 HydrophobicContact CB-CZ 4.34Å; L92-F132 HydrophobicContact CD1-CB 4.38Å; L92-F132 HydrophobicContact CD1-CD1 4.11Å; L92-F132 HydrophobicContact CD1-CD2 4.47Å; L92-F132 HydrophobicContact CD1-CG 4.07Å
93K98.6Very high98.2Very high116 Ų11661.1 Ų61.150%0.50430%0.298SS..Hα-helixtrans-59.3-44.2175.5179.2177.6171.5-179.10111.4M89 D90 A91 A95 Q96 E97M89-K93 WeakPolarHBondContact O-CB 3.31Å; M89-K93 PolarHBondContact O-N 3.46Å; D90-K93 WeakPolarHBondContact O-CB 3.38Å; D90-K93 PolarHBondContact O-N 2.99Å; A91-K93 VanDerWaalsContact C-N 3.35Å; A91-K93 PolarHBondContact O-N 2.94Å; K93-A95 VanDerWaalsContact C-N 3.27Å; K93-A95 PolarHBondContact O-N 2.78Å; K93-Q96 PolarHBondContact O-N 2.87Å; K93-Q96 VanDerWaalsContact O-N 3.15Å; K93-E97 WeakPolarHBondContact CE-OE1 3.36Å; K93-E97 HydrophobicContact CG-CG 4.47Å; K93-E97 IonicContact NZ-OE1 2.78Å; K93-E97 WeakPolarHBondContact O-CG 3.33Å; K93-E97 PolarHBondContact O-N 3.24Å
94L98.6Very high98.3Very high25 Ų2557.3 Ų57.313%0.13128%0.284CS..Hα-helixtrans-58.7-37.6174.3-74.6172.6000112.3V85 D90 A91 L92 E97 N98 V103V85-L94 HydrophobicContact CG1-CD1 4.27Å; D90-L94 WeakPolarHBondContact O-CG 3.24Å; D90-L94 PolarHBondContact O-N 3.03Å; A91-L94 WeakPolarHBondContact O-CB 3.32Å; A91-L94 PolarHBondContact O-N 2.88Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 3.35Å; L94-E97 PolarHBondContact O-N 3.13Å; L94-N98 WeakPolarHBondContact O-CB 3.49Å; L94-N98 PolarHBondContact O-N 2.93Å; L94-N98 PolarHBondContact O-ND2 3.25Å; L94-V103 HydrophobicContact CB-CG1 4.32Å
95A98.7Very high98.3Very high0 Ų053.6 Ų53.60%026%0.264CS..Hα-helixtrans-62.6-43.4175.700000111.9A91 L92 K93 E97 N98 V103 V129 N131 F132A91-A95 PolarHBondContact O-N 3.36Å; L92-A95 VanDerWaalsContact O-CB 3.32Å; L92-A95 WeakPolarHBondContact O-CB 3.26Å; L92-A95 PolarHBondContact O-N 3.27Å; L92-A95 VanDerWaalsContact O-N 3.1Å; K93-A95 VanDerWaalsContact C-N 3.27Å; K93-A95 PolarHBondContact O-N 2.78Å; A95-E97 VanDerWaalsContact C-N 3.35Å; A95-E97 PolarHBondContact O-N 2.87Å; A95-N98 CarbonylContact O-C 3.56Å; A95-N98 PolarHBondContact O-N 3.14Å; A95-V103 VanDerWaalsContact CA-CG2 3.46Å; A95-V103 HydrophobicContact CB-CB 3.84Å; A95-V103 HydrophobicContact CB-CG1 4.46Å; A95-V103 HydrophobicContact CB-CG2 3.88Å; A95-V129 HydrophobicContact CB-CG1 3.91Å; A95-N131 PolarHBondContact O-ND2 3.37Å; A95-N131 PolarHBondContact O-OD1 3.45Å; A95-F132 HydrophobicContact CB-CB 3.91Å; A95-F132 HydrophobicContact CB-CD2 3.91Å; A95-F132 HydrophobicContact CB-CG 4.31Å
96Q98.2Very high98.3Very high91 Ų9153.3 Ų53.343%0.42526%0.262SS..Hα-helixtrans-66.3-36177.1-61.2-177.7-7900112.4L92 K93 V129L92-Q96 WeakPolarHBondContact O-CG 3.47Å; L92-Q96 PolarHBondContact O-N 2.9Å; L92-Q96 VanDerWaalsContact O-N 3.12Å; K93-Q96 PolarHBondContact O-N 2.87Å; K93-Q96 VanDerWaalsContact O-N 3.15Å; Q96-V129 HydrophobicContact CG-CG2 4.02Å
97E98.4Very high98.3Very high113 Ų11343.3 Ų43.353%0.52822%0.223SC..Hα-helixtrans-77.7-18.9178.5-70.4174.1171.100113.3K93 L94 A95 P99K93-E97 WeakPolarHBondContact CE-OE1 3.36Å; K93-E97 HydrophobicContact CG-CG 4.47Å; K93-E97 IonicContact NZ-OE1 2.78Å; K93-E97 WeakPolarHBondContact O-CG 3.33Å; K93-E97 PolarHBondContact O-N 3.24Å; L94-E97 PolarHBondContact O-N 3.13Å; A95-E97 VanDerWaalsContact C-N 3.35Å; A95-E97 PolarHBondContact O-N 2.87Å; E97-P99 VanDerWaalsContact C-CD 3.47Å; E97-P99 WeakPolarHBondContact O-CD 3.06Å
98N98.4Very high98.2Very high42 Ų4242 Ų4223%0.22521%0.213CC..  trans-127.364-176.4-60.4-93.8000111.1I55 L94 A95 T100 R101 N131I55-N98 HydrophobicContact CD1-CB 3.92Å; L94-N98 WeakPolarHBondContact O-CB 3.49Å; L94-N98 PolarHBondContact O-N 2.93Å; L94-N98 PolarHBondContact O-ND2 3.25Å; A95-N98 CarbonylContact O-C 3.56Å; A95-N98 PolarHBondContact O-N 3.14Å; N98-T100 PolarHBondContact O-N 2.69Å; N98-R101 HydrophobicContact CB-CB 3.98Å; N98-R101 HydrophobicContact CB-CG 4.03Å; N98-R101 PolarHBondContact O-N 3.19Å; N98-N131 PolarHBondContact O-ND2 3.35Å
99P97.4Very high98.1Very high98 Ų9841.8 Ų41.864%0.63621%0.212SC*.THydrogen-bonded Turntrans-62.8-18.2-172.525.6-35.8000114.4E97E97-P99 VanDerWaalsContact C-CD 3.47Å; E97-P99 WeakPolarHBondContact O-CD 3.06Å
100T97.7Very high98Very high131 Ų13139 Ų3980%0.80420%0.198SC*.THydrogen-bonded Turntrans-90.6-2.7177.558.50000113.7N98N98-T100 PolarHBondContact O-N 2.69Å
101R98.4Very high97.9Very high72 Ų7236.8 Ų36.827%0.27219%0.186SC..SBendtrans-113.5150.7-178.4-60.7-71.2-66.3-137.2-2.2109.8P52 E53 V54 I55 D81 N98 N131P52-R101 PolarHBondContact O-NH1 3.04Å; P52-R101 PolarHBondContact O-NH2 3.01Å; P52-R101 VanDerWaalsContact O-NH2 3.09Å; E53-R101 WeakPolarHBondContact O-CA 3.5Å; E53-R101 PolarHBondContact O-NE 3.2Å; E53-R101 VanDerWaalsContact O-NE 3.08Å; V54-R101 PolarHBondContact O-NH2 2.94Å; I55-R101 HydrophobicContact CD1-CB 3.94Å; I55-R101 HydrophobicContact CD1-CG 4.09Å; I55-R101 HydrophobicContact CG1-CB 4.14Å; I55-R101 HydrophobicContact CG1-CG 4.42Å; D81-R101 IonicContact OD2-NH2 3.93Å; N98-R101 HydrophobicContact CB-CB 3.98Å; N98-R101 HydrophobicContact CB-CG 4.03Å; N98-R101 PolarHBondContact O-N 3.19Å; R101-N131 WeakPolarHBondContact O-CB 3.41Å; R101-N131 PolarHBondContact O-ND2 2.95Å
102K98.7Very high97.8Very high56 Ų5639 Ų3924%0.24320%0.2CC..EExtended strand (participates in β ladder)trans-90.3116.9170.6-61.6178.1-172.3158.80108.4E53 V54 I55 Y133 H270 F271E53-K102 HydrophobicContact CG-CB 4.45Å; E53-K102 HydrophobicContact CG-CD 3.74Å; E53-K102 HydrophobicContact CG-CG 4.01Å; E53-K102 PolarHBondContact O-N 3.45Å; E53-K102 IonicContact OE1-NZ 3.44Å; E53-K102 PolarHBondContact OE1-NZ 3.35Å; V54-K102 CarbonylContact C-O 3.54Å; V54-K102 VanDerWaalsContact CA-O 3.26Å; V54-K102 WeakPolarHBondContact CA-O 3.26Å; V54-K102 HydrophobicContact CG2-CB 4.27Å; I55-K102 PolarHBondContact N-O 2.99Å; K102-Y133 HydrophobicContact CB-CD2 4.1Å; K102-Y133 HydrophobicContact CB-CE2 3.84Å; K102-Y133 HydrophobicContact CD-CE2 4.17Å; K102-Y133 HydrophobicContact CG-CE2 3.88Å; K102-H270 WeakPolarHBondContact CE-NE2 3.37Å; K102-H270 PolarHBondContact NZ-NE2 2.96Å; K102-F271 HydrophobicContact CB-CZ 4.17Å; K102-F271 HydrophobicContact CD-CE1 3.96Å; K102-F271 HydrophobicContact CD-CZ 3.68Å
103V98.8Very high97.7Very high0 Ų040.7 Ų40.70%021%0.21CC..EExtended strand (participates in β ladder)trans-98.4120.8178.4-177.60000109.1I55 A91 L94 A95 N131 F132 Y133I55-V103 HydrophobicContact CB-CG2 4.17Å; I55-V103 HydrophobicContact CD1-CG2 4.24Å; I55-V103 WeakPolarHBondContact O-CA 3.49Å; A91-V103 HydrophobicContact CB-CG1 4.48Å; A91-V103 WeakPolarHBondContact O-CG1 3.22Å; L94-V103 HydrophobicContact CB-CG1 4.32Å; A95-V103 VanDerWaalsContact CA-CG2 3.46Å; A95-V103 HydrophobicContact CB-CB 3.84Å; A95-V103 HydrophobicContact CB-CG1 4.46Å; A95-V103 HydrophobicContact CB-CG2 3.88Å; V103-N131 PolarHBondContact N-O 2.81Å; V103-F132 HydrophobicContact CB-CD2 4.35Å; V103-F132 HydrophobicContact CG1-CD2 4.3Å; V103-F132 HydrophobicContact CG1-CE2 4.48Å; V103-F132 CarbonylContact O-C 3.58Å; V103-F132 WeakPolarHBondContact O-CA 3.39Å; V103-Y133 PolarHBondContact O-N 2.89Å
104V98.9Very high97.6Very high0 Ų035.3 Ų35.30%019%0.186CC..EExtended strand (participates in β ladder)trans-109.8123-179.9-177.60000108.4I48 V54 I55 F56 C57 Y133 F135 A267 F271I48-V104 HydrophobicContact CG2-CB 4.41Å; I48-V104 HydrophobicContact CG2-CG1 4.26Å; I48-V104 HydrophobicContact CG2-CG2 3.87Å; V54-V104 HydrophobicContact CG1-CB 4.45Å; V54-V104 HydrophobicContact CG1-CG2 3.94Å; I55-V104 PolarHBondContact O-N 2.92Å; F56-V104 HydrophobicContact CD2-CB 3.94Å; F56-V104 HydrophobicContact CD2-CG1 3.99Å; F56-V104 HydrophobicContact CE2-CB 4.24Å; F56-V104 HydrophobicContact CE2-CG1 3.75Å; C57-V104 WeakPolarHBondContact CB-O 3.46Å; C57-V104 PolarHBondContact N-O 3.02Å; V104-Y133 CarbonylContact C-O 3.47Å; V104-Y133 WeakPolarHBondContact CA-O 3.48Å; V104-F135 HydrophobicContact CG1-CB 4.07Å; V104-A267 HydrophobicContact CG1-CB 3.94Å; V104-F271 HydrophobicContact CG2-CD2 4.46Å; V104-F271 HydrophobicContact CG2-CE2 3.52Å; V104-F271 HydrophobicContact CG2-CZ 3.93Å
105F98.8Very high97.6Very high1 Ų134.7 Ų34.70%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-98.7124.6170176.6-117.4000110.5C57 F59 V85 P88 A91 G107 T117 F132 Y133 F134 F135C57-F105 HydrophobicContact CB-CD2 4.24Å; F59-F105 HydrophobicContact CE2-CE2 4.28Å; F59-F105 AromaticContact CE2-CZ 3.74Å; F59-F105 HydrophobicContact CE2-CZ 3.74Å; F59-F105 HydrophobicContact CZ-CE2 4.17Å; F59-F105 AromaticContact CZ-CZ 3.74Å; F59-F105 HydrophobicContact CZ-CZ 3.74Å; V85-F105 HydrophobicContact CG2-CD2 4.1Å; V85-F105 HydrophobicContact CG2-CE2 3.87Å; P88-F105 HydrophobicContact CB-CD1 3.93Å; P88-F105 HydrophobicContact CB-CE1 3.56Å; P88-F105 HydrophobicContact CB-CE2 4.49Å; P88-F105 HydrophobicContact CB-CZ 3.89Å; P88-F105 HydrophobicContact CG-CD1 4.47Å; P88-F105 HydrophobicContact CG-CE1 3.62Å; P88-F105 HydrophobicContact CG-CZ 3.68Å; A91-F105 HydrophobicContact CB-CB 3.87Å; A91-F105 HydrophobicContact CB-CD2 4.01Å; A91-F105 HydrophobicContact CB-CG 4.17Å; F105-G107 PolarHBondContact O-N 2.98Å; F105-T117 HydrophobicContact CE1-CG2 4.38Å; F105-F132 HydrophobicContact CB-CE2 4.06Å; F105-F132 HydrophobicContact CB-CZ 3.96Å; F105-Y133 PolarHBondContact N-O 3.23Å; F105-F134 AromaticContact CD1-CD2 3.81Å; F105-F134 HydrophobicContact CD1-CD2 3.81Å; F105-F134 AromaticContact CD1-CE2 3.84Å; F105-F134 HydrophobicContact CD1-CE2 3.84Å; F105-F134 HydrophobicContact CE1-CE2 4.11Å; F105-F134 WeakPolarHBondContact O-CA 3.46Å; F105-F135 PolarHBondContact O-N 3.15Å
106F98.6Very high97.6Very high0 Ų038.1 Ų38.10%021%0.205CC..EExtended strand (participates in β ladder)trans-85.4103.2172.2178.9-142.2000110.6L37 F56 C57 A62 L108 F135 Q137L37-F106 HydrophobicContact CD1-CZ 3.99Å; L37-F106 HydrophobicContact CD2-CE1 4.06Å; L37-F106 HydrophobicContact CD2-CZ 4Å; F56-F106 HydrophobicContact CE1-CB 3.69Å; F56-F106 HydrophobicContact CE1-CG 4.37Å; F56-F106 HydrophobicContact CZ-CB 3.77Å; F56-F106 HydrophobicContact CZ-CG 4.34Å; C57-F106 PolarHBondContact O-N 3.13Å; A62-F106 HydrophobicContact CB-CD1 4.35Å; A62-F106 HydrophobicContact CB-CE1 4.06Å; F106-L108 HydrophobicContact CE1-CB 4.17Å; F106-L108 HydrophobicContact CE1-CD2 4.46Å; F106-L108 HydrophobicContact CZ-CB 4.21Å; F106-L108 PolarHBondContact O-N 3.48Å; F106-F135 HydrophobicContact CD2-CB 4.4Å; F106-F135 AromaticContact CD2-CD1 3.32Å; F106-F135 HydrophobicContact CD2-CD1 3.32Å; F106-F135 AromaticContact CD2-CE1 3.95Å; F106-F135 HydrophobicContact CD2-CE1 3.95Å; F106-F135 HydrophobicContact CD2-CG 4.24Å; F106-F135 AromaticContact CE2-CD1 3.63Å; F106-F135 HydrophobicContact CE2-CD1 3.63Å; F106-F135 AromaticContact CE2-CE1 3.75Å; F106-F135 HydrophobicContact CE2-CE1 3.75Å; F106-F135 HydrophobicContact CG-CD1 4.24Å; F106-Q137 HydrophobicContact CD2-CB 4.28Å; F106-Q137 HydrophobicContact CE2-CB 3.39Å; F106-Q137 HydrophobicContact CE2-CG 4.07Å; F106-Q137 HydrophobicContact CZ-CB 3.93Å; F106-Q137 HydrophobicContact CZ-CG 4.15Å
107G97.1Very high97.6Very high0 Ų033.9 Ų33.90%019%0.186CC..EExtended strand (participates in β ladder)trans-87.494.3178.200000112.2F105 F134 F135 Q137 H138F105-G107 PolarHBondContact O-N 2.98Å; G107-F134 VanDerWaalsContact CA-CE2 3.46Å; G107-F135 PolarHBondContact N-O 3.46Å; G107-Q137 CarbonylContact O-C 3.57Å; G107-Q137 VanDerWaalsContact O-CA 3.23Å; G107-Q137 WeakPolarHBondContact O-CA 3.38Å; G107-Q137 PolarHBondContact O-N 3.19Å; G107-H138 PolarHBondContact O-N 2.94Å
108L95.3Very high97.6Very high8 Ų828.5 Ų28.54%0.04216%0.16CC..EExtended strand (participates in β ladder)trans-100.2129.8173.817665.5000109.9P33 V34 L37 A62 F106 Q137P33-L108 HydrophobicContact CB-CD1 4.09Å; P33-L108 HydrophobicContact CB-CG 4.07Å; P33-L108 HydrophobicContact CG-CG 4.5Å; V34-L108 HydrophobicContact CG2-CD2 3.77Å; L37-L108 HydrophobicContact CD1-CD1 4.09Å; L37-L108 HydrophobicContact CD2-CD1 4.28Å; L37-L108 HydrophobicContact CD2-CD2 3.92Å; A62-L108 HydrophobicContact CB-CD2 4.16Å; F106-L108 HydrophobicContact CE1-CB 4.17Å; F106-L108 HydrophobicContact CE1-CD2 4.46Å; F106-L108 HydrophobicContact CZ-CB 4.21Å; F106-L108 PolarHBondContact O-N 3.48Å; L108-Q137 HydrophobicContact CD1-CB 4.2Å; L108-Q137 HydrophobicContact CD1-CG 3.63Å
109G95.6Very high97.6Very high0 Ų030.5 Ų30.50%017%0.17CC..EExtended strand (participates in β ladder)trans151.6-176.8168.800000115.8T113 Q137 H138 I139G109-T113 VanDerWaalsContact CA-OG1 3.31Å; G109-T113 WeakPolarHBondContact CA-OG1 3.45Å; G109-Q137 PolarHBondContact N-O 3.28Å; G109-H138 PolarHBondContact N-ND1 3.39Å; G109-H138 WeakPolarHBondContact O-CA 3.38Å; G109-H138 PolarHBondContact O-ND1 3.48Å; G109-H138 VanDerWaalsContact O-ND1 3.17Å; G109-I139 PolarHBondContact O-N 3.28Å; G109-I139 VanDerWaalsContact O-N 3.09Å
110F95.9Very high97.7Very high4 Ų426 Ų262%0.01814%0.141CC..SBendtrans-94.5-167.3177.7-65.2-72.9000111.8P30 G31 P33 T112 T113 M114 I139 L141 V165 W245P30-F110 WeakPolarHBondContact O-CZ 3.43Å; G31-F110 VanDerWaalsContact C-CE2 3.43Å; G31-F110 VanDerWaalsContact O-CE2 3.25Å; G31-F110 WeakPolarHBondContact O-CE2 3.27Å; P33-F110 HydrophobicContact CB-CD2 4.01Å; P33-F110 HydrophobicContact CB-CE2 3.72Å; P33-F110 HydrophobicContact CB-CZ 4.37Å; P33-F110 HydrophobicContact CG-CD2 4.23Å; P33-F110 HydrophobicContact CG-CE2 4.15Å; F110-T112 PolarHBondContact O-N 3.25Å; F110-T113 PolarHBondContact N-OG1 3.34Å; F110-T113 PolarHBondContact O-N 2.84Å; F110-T113 PolarHBondContact O-OG1 3.23Å; F110-M114 WeakPolarHBondContact O-CG 3.28Å; F110-M114 PolarHBondContact O-N 3.35Å; F110-I139 WeakPolarHBondContact CA-O 3.27Å; F110-I139 HydrophobicContact CD1-CD1 4.41Å; F110-I139 HydrophobicContact CD1-CG1 3.77Å; F110-I139 WeakPolarHBondContact CD1-O 3.47Å; F110-I139 HydrophobicContact CE1-CD1 3.65Å; F110-I139 HydrophobicContact CE1-CG1 3.48Å; F110-I139 VanDerWaalsContact CE1-CG1 3.48Å; F110-I139 HydrophobicContact CZ-CD1 3.9Å; F110-I139 HydrophobicContact CZ-CG1 4.17Å; F110-L141 HydrophobicContact CD1-CB 4.32Å; F110-V165 HydrophobicContact CB-CG2 4.45Å; F110-W245 HydrophobicContact CD1-CH2 4.49Å; F110-W245 AromaticContact CE1-CH2 3.46Å; F110-W245 HydrophobicContact CE1-CH2 3.46Å; F110-W245 VanDerWaalsContact CE1-CH2 3.46Å; F110-W245 HydrophobicContact CE1-CZ2 4.46Å; F110-W245 AromaticContact CE1-CZ3 3.77Å; F110-W245 HydrophobicContact CE1-CZ3 3.77Å; F110-W245 HydrophobicContact CZ-CH2 4.12Å; F110-W245 AromaticContact CZ-CZ3 3.94Å; F110-W245 HydrophobicContact CZ-CZ3 3.94Å
111E96.8Very high97.7Very high15 Ų1519.8 Ų19.87%0.0710%0.103CC..THydrogen-bonded Turntrans-55.4-20.3174.5-55.690.2159.300112.8T113 M114 P115 T140 L141 V165 V168 I169E111-T113 VanDerWaalsContact C-N 3.33Å; E111-T113 PolarHBondContact O-N 2.85Å; E111-M114 HydrophobicContact CB-SD 4.48Å; E111-M114 HydrophobicContact CG-CE 4.27Å; E111-M114 HydrophobicContact CG-SD 4.28Å; E111-P115 WeakPolarHBondContact O-CD 3.2Å; E111-T140 VanDerWaalsContact OE1-CA 3.27Å; E111-T140 WeakPolarHBondContact OE1-CA 3.21Å; E111-T140 WeakPolarHBondContact OE1-CB 3.42Å; E111-L141 PolarHBondContact OE1-N 3.17Å; E111-L141 PolarHBondContact OE2-N 3.32Å; E111-V165 HydrophobicContact CB-CG1 4.14Å; E111-V165 WeakPolarHBondContact OE2-CG1 3.26Å; E111-V168 HydrophobicContact CB-CG1 4.35Å; E111-V168 WeakPolarHBondContact O-CG1 3.41Å; E111-V168 WeakPolarHBondContact O-CG2 3.45Å; E111-I169 HydrophobicContact CB-CG2 3.57Å; E111-I169 HydrophobicContact CG-CG2 3.62Å
112T95.8Very high97.8Very high48 Ų4818.9 Ų18.929%0.29410%0.102SC..THydrogen-bonded Turntrans-62.5-36.1171.441.50000114.2F110 H164 V165F110-T112 PolarHBondContact O-N 3.25Å; T112-H164 HydrophobicContact CG2-CB 3.7Å; T112-H164 WeakPolarHBondContact CG2-O 3.26Å; T112-V165 HydrophobicContact CG2-CB 3.96Å; T112-V165 HydrophobicContact CG2-CG2 3.54Å
113T96.6Very high97.7Very high34 Ų3419.6 Ų19.621%0.20911%0.106CC..THydrogen-bonded Turntrans-97.4-29.6-17158.20000112.1G109 F110 E111 P115 T116 T117 H138G109-T113 VanDerWaalsContact CA-OG1 3.31Å; G109-T113 WeakPolarHBondContact CA-OG1 3.45Å; F110-T113 PolarHBondContact N-OG1 3.34Å; F110-T113 PolarHBondContact O-N 2.84Å; F110-T113 PolarHBondContact O-OG1 3.23Å; E111-T113 VanDerWaalsContact C-N 3.33Å; E111-T113 PolarHBondContact O-N 2.85Å; T113-P115 VanDerWaalsContact C-CD 3.41Å; T113-T116 PolarHBondContact O-N 3.31Å; T113-T116 PolarHBondContact O-OG1 3.41Å; T113-T117 PolarHBondContact O-N 3.46Å; T113-T117 PolarHBondContact O-OG1 3.2Å; T113-H138 PolarHBondContact OG1-CE1 3.3Å; T113-H138 PolarHBondContact OG1-ND1 3.1Å
114M98Very high97.7Very high3 Ų319.6 Ų19.62%0.01511%0.106CC..Hα-helixtrans-52.9-40.6-179-64171.9-167.700113.9F110 E111 T116 T117 A118 H138 I139 T140 I233 F237 V256F110-M114 WeakPolarHBondContact O-CG 3.28Å; F110-M114 PolarHBondContact O-N 3.35Å; E111-M114 HydrophobicContact CB-SD 4.48Å; E111-M114 HydrophobicContact CG-CE 4.27Å; E111-M114 HydrophobicContact CG-SD 4.28Å; M114-T116 VanDerWaalsContact C-N 3.35Å; M114-T116 PolarHBondContact O-N 3.07Å; M114-T117 PolarHBondContact O-N 3.31Å; M114-A118 VanDerWaalsContact O-CB 3.32Å; M114-A118 WeakPolarHBondContact O-CB 3.27Å; M114-A118 PolarHBondContact O-N 2.93Å; M114-H138 HydrophobicContact CE-CB 3.76Å; M114-H138 HydrophobicContact CG-CB 4.02Å; M114-I139 WeakPolarHBondContact CE-O 3.31Å; M114-T140 HydrophobicContact CE-CG2 4.12Å; M114-I233 HydrophobicContact CB-CD1 3.91Å; M114-I233 HydrophobicContact CB-CG1 3.77Å; M114-I233 HydrophobicContact SD-CD1 4.44Å; M114-I233 HydrophobicContact SD-CG2 4.25Å; M114-F237 HydrophobicContact CB-CD2 4.21Å; M114-F237 HydrophobicContact CB-CE2 4.1Å; M114-V256 HydrophobicContact CE-CB 4.47Å; M114-V256 HydrophobicContact CE-CG1 4.36Å; M114-V256 HydrophobicContact CE-CG2 3.59Å
115P98.3Very high97.7Very high12 Ų1222.6 Ų22.68%0.07812%0.119CC..Hα-helixtrans-60.2-42.9-178.7-25.734.3000112.8E111 T113 A118 I119 V168 A229 I233E111-P115 WeakPolarHBondContact O-CD 3.2Å; T113-P115 VanDerWaalsContact C-CD 3.41Å; P115-A118 PolarHBondContact O-N 2.9Å; P115-I119 WeakPolarHBondContact O-CD1 3.3Å; P115-I119 VanDerWaalsContact O-CG1 3.27Å; P115-I119 WeakPolarHBondContact O-CG1 3.32Å; P115-I119 PolarHBondContact O-N 2.76Å; P115-V168 HydrophobicContact CG-CG1 4.1Å; P115-V168 HydrophobicContact CG-CG2 4.17Å; P115-A229 HydrophobicContact CB-CB 3.97Å; P115-A229 HydrophobicContact CG-CB 3.81Å; P115-I233 HydrophobicContact CG-CD1 3.82Å; P115-I233 HydrophobicContact CG-CG1 4.08Å
116T97.9Very high97.7Very high72 Ų7226.5 Ų26.544%0.44215%0.152SC..Hα-helixtrans-68.9-37.2179.962.70000111.9T113 M114 T120T113-T116 PolarHBondContact O-N 3.31Å; T113-T116 PolarHBondContact O-OG1 3.41Å; M114-T116 VanDerWaalsContact C-N 3.35Å; M114-T116 PolarHBondContact O-N 3.07Å; T116-T120 WeakPolarHBondContact O-CB 3.3Å; T116-T120 PolarHBondContact O-N 3.48Å; T116-T120 VanDerWaalsContact O-N 3.08Å; T116-T120 PolarHBondContact O-OG1 3.09Å
117T98.4Very high97.7Very high3 Ų331.9 Ų31.92%0.01817%0.172CC..Hα-helixtrans-65.4-44.8172.9-52.40000111F105 T113 M114 I119 T120 L121 F134 H138 F237F105-T117 HydrophobicContact CE1-CG2 4.38Å; T113-T117 PolarHBondContact O-N 3.46Å; T113-T117 PolarHBondContact O-OG1 3.2Å; M114-T117 PolarHBondContact O-N 3.31Å; T117-I119 PolarHBondContact O-N 2.96Å; T117-T120 WeakPolarHBondContact O-CB 3.23Å; T117-T120 PolarHBondContact O-N 3.4Å; T117-T120 VanDerWaalsContact O-N 3.14Å; T117-L121 HydrophobicContact CG2-CD1 4.14Å; T117-L121 WeakPolarHBondContact O-CG 3.32Å; T117-L121 PolarHBondContact O-N 3.31Å; T117-F134 HydrophobicContact CG2-CD2 3.97Å; T117-F134 HydrophobicContact CG2-CE1 4.3Å; T117-F134 HydrophobicContact CG2-CE2 3.31Å; T117-F134 HydrophobicContact CG2-CZ 3.53Å; T117-H138 PolarHBondContact OG1-NE2 3.47Å; T117-H138 VanDerWaalsContact OG1-NE2 3.14Å; T117-F237 HydrophobicContact CG2-CZ 3.77Å
118A98.7Very high97.7Very high0 Ų036.1 Ų36.10%020%0.195CC..Hα-helixtrans-58.8-50.6178.600000111.4M114 P115 T120 L121 Q122 A232 V236 F237M114-A118 VanDerWaalsContact O-CB 3.32Å; M114-A118 WeakPolarHBondContact O-CB 3.27Å; M114-A118 PolarHBondContact O-N 2.93Å; P115-A118 PolarHBondContact O-N 2.9Å; A118-T120 PolarHBondContact O-N 2.99Å; A118-L121 PolarHBondContact O-N 2.67Å; A118-L121 VanDerWaalsContact O-N 3.13Å; A118-Q122 WeakPolarHBondContact O-CG 3.48Å; A118-Q122 PolarHBondContact O-N 2.86Å; A118-A232 HydrophobicContact CB-CB 4.25Å; A118-A232 WeakPolarHBondContact CB-O 3.33Å; A118-V236 HydrophobicContact CB-CB 3.89Å; A118-V236 HydrophobicContact CB-CG1 4.42Å; A118-V236 HydrophobicContact CB-CG2 3.74Å; A118-F237 HydrophobicContact CB-CD2 4.28Å; A118-F237 HydrophobicContact CB-CE2 3.81Å
119I98.6Very high97.9Very high83 Ų8336.4 Ų36.443%0.42620%0.196SC..Hα-helixtrans-59.6-38.1177-67.2164.4000110.9P115 T117 Q122 Q123 A232P115-I119 WeakPolarHBondContact O-CD1 3.3Å; P115-I119 VanDerWaalsContact O-CG1 3.27Å; P115-I119 WeakPolarHBondContact O-CG1 3.32Å; P115-I119 PolarHBondContact O-N 2.76Å; T117-I119 PolarHBondContact O-N 2.96Å; I119-Q122 WeakPolarHBondContact O-CB 3.36Å; I119-Q122 PolarHBondContact O-N 3.14Å; I119-Q123 VanDerWaalsContact O-CG 3.27Å; I119-Q123 WeakPolarHBondContact O-CG 3.24Å; I119-Q123 PolarHBondContact O-N 3.37Å; I119-A232 HydrophobicContact CG1-CB 4.4Å
120T98.7Very high97.9Very high3 Ų342 Ų422%0.01822%0.223CC..Hα-helixtrans-65.3-42.7177.2-59.50000111.7P88 M89 L92 T116 T117 A118 Q123 A124 F132P88-T120 HydrophobicContact CB-CG2 3.94Å; P88-T120 WeakPolarHBondContact CB-OG1 3.44Å; P88-T120 WeakPolarHBondContact O-CG2 3.44Å; M89-T120 WeakPolarHBondContact CG-OG1 3.14Å; M89-T120 HydrophobicContact SD-CG2 3.89Å; M89-T120 PolarHBondContact SD-OG1 3.02Å; L92-T120 HydrophobicContact CB-CG2 3.88Å; L92-T120 HydrophobicContact CD2-CG2 4.09Å; T116-T120 WeakPolarHBondContact O-CB 3.3Å; T116-T120 PolarHBondContact O-N 3.48Å; T116-T120 VanDerWaalsContact O-N 3.08Å; T116-T120 PolarHBondContact O-OG1 3.09Å; T117-T120 WeakPolarHBondContact O-CB 3.23Å; T117-T120 PolarHBondContact O-N 3.4Å; T117-T120 VanDerWaalsContact O-N 3.14Å; A118-T120 PolarHBondContact O-N 2.99Å; T120-Q123 PolarHBondContact O-N 2.89Å; T120-A124 WeakPolarHBondContact O-CB 3.18Å; T120-A124 PolarHBondContact O-N 3Å; T120-F132 HydrophobicContact CG2-CE1 4.22Å; T120-F132 HydrophobicContact CG2-CZ 4.22Å
121L98.8Very high98.1Very high2 Ų242.9 Ų42.91%0.0123%0.228CC..Hα-helixtrans-68-37.8176.8-70.5169.6000112.1T117 A118 Q123 A124 K125 F132 F134 V236 F237 L258 Y262 F265T117-L121 HydrophobicContact CG2-CD1 4.14Å; T117-L121 WeakPolarHBondContact O-CG 3.32Å; T117-L121 PolarHBondContact O-N 3.31Å; A118-L121 PolarHBondContact O-N 2.67Å; A118-L121 VanDerWaalsContact O-N 3.13Å; L121-Q123 VanDerWaalsContact C-N 3.34Å; L121-Q123 PolarHBondContact O-N 2.83Å; L121-A124 PolarHBondContact O-N 2.72Å; L121-K125 WeakPolarHBondContact O-CB 3.23Å; L121-K125 PolarHBondContact O-N 3.22Å; L121-F132 HydrophobicContact CD2-CD1 4.47Å; L121-F132 HydrophobicContact CD2-CE1 4.07Å; L121-F134 HydrophobicContact CD1-CD1 4.17Å; L121-F134 HydrophobicContact CD1-CG 4.29Å; L121-F134 HydrophobicContact CD2-CB 4.1Å; L121-V236 HydrophobicContact CB-CG1 4.02Å; L121-V236 HydrophobicContact CD1-CG1 3.51Å; L121-V236 HydrophobicContact CG-CG1 4.41Å; L121-F237 HydrophobicContact CD1-CE1 4.23Å; L121-F237 HydrophobicContact CD1-CZ 4.03Å; L121-L258 HydrophobicContact CD1-CD2 3.63Å; L121-Y262 HydrophobicContact CB-CD1 4.02Å; L121-Y262 HydrophobicContact CB-CE1 4.36Å; L121-F265 HydrophobicContact CD2-CB 3.77Å; L121-F265 HydrophobicContact CD2-CD1 4.44Å; L121-F265 HydrophobicContact CD2-CD2 3.86Å; L121-F265 HydrophobicContact CD2-CG 3.77Å
122Q98.7Very high98.2Very high53 Ų5342.3 Ų42.325%0.24823%0.225CC..Hα-helixtrans-57.7-45.4169.3-76.1170-14.600111.6A118 I119 K125 A126 D235 V236 Y262A118-Q122 WeakPolarHBondContact O-CG 3.48Å; A118-Q122 PolarHBondContact O-N 2.86Å; I119-Q122 WeakPolarHBondContact O-CB 3.36Å; I119-Q122 PolarHBondContact O-N 3.14Å; Q122-K125 WeakPolarHBondContact O-CB 3.27Å; Q122-K125 PolarHBondContact O-N 3.24Å; Q122-A126 WeakPolarHBondContact O-CB 3.5Å; Q122-A126 PolarHBondContact O-N 2.76Å; Q122-D235 PolarHBondContact NE2-OD2 2.8Å; Q122-V236 HydrophobicContact CG-CG2 3.92Å; Q122-Y262 HydrophobicContact CG-CE1 4.2Å; Q122-Y262 VanDerWaalsContact CG-OH 3.23Å; Q122-Y262 WeakPolarHBondContact CG-OH 3.31Å
123Q98.6Very high98.3Very high70 Ų7041.3 Ų41.333%0.32722%0.216SC..Hα-helixtrans-66.8-41.7176.6-70.3-64.9-48.700112.3M89 L92 I119 T120 L121 K125 A126 R127M89-Q123 HydrophobicContact SD-CB 4.45Å; M89-Q123 HydrophobicContact SD-CG 4.47Å; L92-Q123 HydrophobicContact CD2-CB 3.94Å; I119-Q123 VanDerWaalsContact O-CG 3.27Å; I119-Q123 WeakPolarHBondContact O-CG 3.24Å; I119-Q123 PolarHBondContact O-N 3.37Å; T120-Q123 PolarHBondContact O-N 2.89Å; L121-Q123 VanDerWaalsContact C-N 3.34Å; L121-Q123 PolarHBondContact O-N 2.83Å; Q123-K125 VanDerWaalsContact C-N 3.25Å; Q123-K125 PolarHBondContact O-N 3.33Å; Q123-A126 PolarHBondContact O-N 3.19Å; Q123-R127 WeakPolarHBondContact O-CB 3.18Å; Q123-R127 VanDerWaalsContact O-CG 3.24Å; Q123-R127 WeakPolarHBondContact O-CG 3.3Å; Q123-R127 PolarHBondContact O-N 2.72Å
124A98.6Very high98.4Very high0 Ų039.7 Ų39.70%021%0.206CC..Hα-helixtrans-61.5-36.7174.400000111.5L92 T120 L121 D128 V129 F132 R264 F265L92-A124 HydrophobicContact CD1-CB 3.65Å; L92-A124 HydrophobicContact CD2-CB 4.21Å; T120-A124 WeakPolarHBondContact O-CB 3.18Å; T120-A124 PolarHBondContact O-N 3Å; L121-A124 PolarHBondContact O-N 2.72Å; A124-D128 PolarHBondContact O-N 2.95Å; A124-V129 PolarHBondContact O-N 2.98Å; A124-F132 HydrophobicContact CB-CD1 3.87Å; A124-F132 HydrophobicContact CB-CE1 4.42Å; A124-R264 PolarHBondContact O-NH2 3.09Å; A124-F265 HydrophobicContact CB-CE1 3.72Å; A124-F265 HydrophobicContact CB-CZ 3.72Å
125K98.5Very high98.4Very high63 Ų6339.6 Ų39.627%0.27421%0.205SC..Hα-helixtrans-65.2-54.2174.3-169.9172.3173.5173.40111.5L121 Q122 Q123 R127 D128 D261 Y262 R264 F265L121-K125 WeakPolarHBondContact O-CB 3.23Å; L121-K125 PolarHBondContact O-N 3.22Å; Q122-K125 WeakPolarHBondContact O-CB 3.27Å; Q122-K125 PolarHBondContact O-N 3.24Å; Q123-K125 VanDerWaalsContact C-N 3.25Å; Q123-K125 PolarHBondContact O-N 3.33Å; K125-R127 VanDerWaalsContact C-N 3.28Å; K125-R127 PolarHBondContact O-N 3.25Å; K125-D128 PolarHBondContact O-N 2.77Å; K125-D261 PolarHBondContact NZ-O 3.48Å; K125-D261 IonicContact NZ-OD2 2.64Å; K125-D261 PolarHBondContact NZ-OD2 2.95Å; K125-Y262 HydrophobicContact CB-CE1 4.1Å; K125-Y262 HydrophobicContact CD-CD1 4.16Å; K125-Y262 HydrophobicContact CD-CE1 3.64Å; K125-R264 PolarHBondContact O-NH2 3.01Å; K125-F265 HydrophobicContact CB-CE2 4.02Å; K125-F265 HydrophobicContact CB-CZ 4.12Å
126A98.3Very high98.4Very high84 Ų8439.7 Ų39.769%0.69421%0.206SC*.Hα-helixtrans-62.2-32.6-17800000113.6Q122 Q123 D128Q122-A126 WeakPolarHBondContact O-CB 3.5Å; Q122-A126 PolarHBondContact O-N 2.76Å; Q123-A126 PolarHBondContact O-N 3.19Å; A126-D128 VanDerWaalsContact C-N 3.34Å
127R98.1Very high98.3Very high113 Ų11336.8 Ų36.843%0.42619%0.188SC..THydrogen-bonded Turntrans-90.61.1177.9-62.5172.9-165.2-173.72.5113.7Q123 K125 V129Q123-R127 WeakPolarHBondContact O-CB 3.18Å; Q123-R127 VanDerWaalsContact O-CG 3.24Å; Q123-R127 WeakPolarHBondContact O-CG 3.3Å; Q123-R127 PolarHBondContact O-N 2.72Å; K125-R127 VanDerWaalsContact C-N 3.28Å; K125-R127 PolarHBondContact O-N 3.25Å; R127-V129 VanDerWaalsContact C-N 3.32Å; R127-V129 HydrophobicContact CB-CG2 3.96Å; R127-V129 PolarHBondContact O-N 3.01Å
128D97.9Very high98.2Very high89 Ų8936.8 Ų36.848%0.47619%0.188SC..THydrogen-bonded Turntrans50.644.2-178-15646.8000115.1A124 K125 A126 Q130 R264A124-D128 PolarHBondContact O-N 2.95Å; K125-D128 PolarHBondContact O-N 2.77Å; A126-D128 VanDerWaalsContact C-N 3.34Å; D128-Q130 PolarHBondContact O-N 3.11Å; D128-Q130 PolarHBondContact OD1-NE2 2.86Å; D128-Q130 PolarHBondContact OD2-NE2 3.45Å; D128-R264 IonicContact OD1-CZ 3.83Å; D128-R264 IonicContact OD1-NH1 3.51Å; D128-R264 PolarHBondContact OD1-NH1 2.65Å; D128-R264 IonicContact OD1-NH2 3.78Å; D128-R264 PolarHBondContact OD1-NH2 3.21Å
129V98.4Very high98.1Very high13 Ų1337 Ų378%0.07919%0.188CC..  trans-75.8109.7179.3-176.20000109.8L92 A95 Q96 A124 R127 N131 F132L92-V129 HydrophobicContact CD1-CB 4.11Å; L92-V129 HydrophobicContact CD1-CG1 4.11Å; L92-V129 HydrophobicContact CD1-CG2 3.92Å; A95-V129 HydrophobicContact CB-CG1 3.91Å; Q96-V129 HydrophobicContact CG-CG2 4.02Å; A124-V129 PolarHBondContact O-N 2.98Å; R127-V129 VanDerWaalsContact C-N 3.32Å; R127-V129 HydrophobicContact CB-CG2 3.96Å; R127-V129 PolarHBondContact O-N 3.01Å; V129-N131 VanDerWaalsContact CG1-OD1 3.3Å; V129-N131 WeakPolarHBondContact CG1-OD1 3.49Å; V129-F132 HydrophobicContact CG1-CB 3.84Å
130Q97.5Very high97.9Very high118 Ų11833.5 Ų33.555%0.55117%0.171SC*.THydrogen-bonded Turntrans-85.3-19.2-171.6-61.9-61-30.700114.7D128D128-Q130 PolarHBondContact O-N 3.11Å; D128-Q130 PolarHBondContact OD1-NE2 2.86Å; D128-Q130 PolarHBondContact OD2-NE2 3.45Å
131N98.6Very high97.7Very high23 Ų2333.4 Ų33.412%0.12317%0.171CC..THydrogen-bonded Turntrans-106.114.3-173.470.2-41.7000113.4A95 N98 R101 V103 V129A95-N131 PolarHBondContact O-ND2 3.37Å; A95-N131 PolarHBondContact O-OD1 3.45Å; N98-N131 PolarHBondContact O-ND2 3.35Å; R101-N131 WeakPolarHBondContact O-CB 3.41Å; R101-N131 PolarHBondContact O-ND2 2.95Å; V103-N131 PolarHBondContact N-O 2.81Å; V129-N131 VanDerWaalsContact CG1-OD1 3.3Å; V129-N131 WeakPolarHBondContact CG1-OD1 3.49Å
132F98.8Very high97.5Very high3 Ų335.1 Ų35.11%0.01318%0.179CC..EExtended strand (participates in β ladder)trans-102133.2177.8-173.6-116.5000110A91 L92 A95 V103 F105 T120 L121 A124 V129 F265A91-F132 HydrophobicContact CB-CE2 3.83Å; A91-F132 HydrophobicContact CB-CZ 4.38Å; L92-F132 HydrophobicContact CB-CE2 4.39Å; L92-F132 HydrophobicContact CB-CZ 4.34Å; L92-F132 HydrophobicContact CD1-CB 4.38Å; L92-F132 HydrophobicContact CD1-CD1 4.11Å; L92-F132 HydrophobicContact CD1-CD2 4.47Å; L92-F132 HydrophobicContact CD1-CG 4.07Å; A95-F132 HydrophobicContact CB-CB 3.91Å; A95-F132 HydrophobicContact CB-CD2 3.91Å; A95-F132 HydrophobicContact CB-CG 4.31Å; V103-F132 HydrophobicContact CB-CD2 4.35Å; V103-F132 HydrophobicContact CG1-CD2 4.3Å; V103-F132 HydrophobicContact CG1-CE2 4.48Å; V103-F132 CarbonylContact O-C 3.58Å; V103-F132 WeakPolarHBondContact O-CA 3.39Å; F105-F132 HydrophobicContact CB-CE2 4.06Å; F105-F132 HydrophobicContact CB-CZ 3.96Å; T120-F132 HydrophobicContact CG2-CE1 4.22Å; T120-F132 HydrophobicContact CG2-CZ 4.22Å; L121-F132 HydrophobicContact CD2-CD1 4.47Å; L121-F132 HydrophobicContact CD2-CE1 4.07Å; A124-F132 HydrophobicContact CB-CD1 3.87Å; A124-F132 HydrophobicContact CB-CE1 4.42Å; V129-F132 HydrophobicContact CG1-CB 3.84Å; F132-F265 HydrophobicContact CD1-CD1 4.36Å; F132-F265 WeakPolarHBondContact O-CD1 3.44Å
133Y98.8Very high97.3Very high26 Ų2633.9 Ų33.910%0.10218%0.176CC..EExtended strand (participates in β ladder)trans-134.2154.5-179-59.8-87.7000110.1K102 V103 V104 F105 F265 H270 F271K102-Y133 HydrophobicContact CB-CD2 4.1Å; K102-Y133 HydrophobicContact CB-CE2 3.84Å; K102-Y133 HydrophobicContact CD-CE2 4.17Å; K102-Y133 HydrophobicContact CG-CE2 3.88Å; V103-Y133 PolarHBondContact O-N 2.89Å; V104-Y133 CarbonylContact C-O 3.47Å; V104-Y133 WeakPolarHBondContact CA-O 3.48Å; F105-Y133 PolarHBondContact N-O 3.23Å; Y133-F265 CarbonylContact C-O 3.58Å; Y133-F265 VanDerWaalsContact CA-O 3.32Å; Y133-F265 WeakPolarHBondContact CA-O 3.21Å; Y133-H270 HydrophobicContact CD1-CB 3.95Å; Y133-H270 AromaticContact CD1-CG 3.98Å; Y133-H270 HydrophobicContact CE1-CB 3.76Å; Y133-H270 AromaticContact CE1-CD2 3.68Å; Y133-H270 AromaticContact CE1-CE1 3.84Å; Y133-H270 AromaticContact CE1-CG 3.38Å; Y133-H270 AromaticContact CE1-ND1 3.52Å; Y133-H270 AromaticContact CE1-NE2 3.93Å; Y133-H270 AromaticContact CZ-CD2 3.77Å; Y133-H270 AromaticContact CZ-CE1 3.62Å; Y133-H270 AromaticContact CZ-CG 3.87Å; Y133-H270 AromaticContact CZ-ND1 3.8Å; Y133-H270 AromaticContact CZ-NE2 3.58Å; Y133-H270 PolarHBondContact OH-CE1 3.19Å; Y133-H270 PolarHBondContact OH-NE2 3.06Å; Y133-F271 HydrophobicContact CD2-CE2 4.47Å; Y133-F271 HydrophobicContact CG-CE2 4.39Å
134F98.7Very high97Very high1 Ų130.7 Ų30.70%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-128.5118.2-174.7178.4-116.2000109.6F105 G107 T117 L121 C136 H138 F237 L258 F265 A267F105-F134 AromaticContact CD1-CD2 3.81Å; F105-F134 HydrophobicContact CD1-CD2 3.81Å; F105-F134 AromaticContact CD1-CE2 3.84Å; F105-F134 HydrophobicContact CD1-CE2 3.84Å; F105-F134 HydrophobicContact CE1-CE2 4.11Å; F105-F134 WeakPolarHBondContact O-CA 3.46Å; G107-F134 VanDerWaalsContact CA-CE2 3.46Å; T117-F134 HydrophobicContact CG2-CD2 3.97Å; T117-F134 HydrophobicContact CG2-CE1 4.3Å; T117-F134 HydrophobicContact CG2-CE2 3.31Å; T117-F134 HydrophobicContact CG2-CZ 3.53Å; L121-F134 HydrophobicContact CD1-CD1 4.17Å; L121-F134 HydrophobicContact CD1-CG 4.29Å; L121-F134 HydrophobicContact CD2-CB 4.1Å; F134-C136 HydrophobicContact CD1-CB 3.98Å; F134-C136 HydrophobicContact CE1-CB 3.38Å; F134-C136 HydrophobicContact CZ-CB 4.05Å; F134-H138 AromaticContact CZ-CD2 3.7Å; F134-H138 AromaticContact CZ-NE2 3.84Å; F134-F237 AromaticContact CE1-CE1 3.76Å; F134-F237 HydrophobicContact CE1-CE1 3.76Å; F134-F237 HydrophobicContact CE1-CZ 4.22Å; F134-F237 HydrophobicContact CZ-CE1 4.33Å; F134-F237 HydrophobicContact CZ-CZ 4.4Å; F134-L258 HydrophobicContact CD1-CD1 4.19Å; F134-L258 HydrophobicContact CD1-CD2 4.04Å; F134-L258 HydrophobicContact CD1-CG 4.29Å; F134-L258 HydrophobicContact CE1-CD2 4.43Å; F134-F265 HydrophobicContact CB-CB 4.48Å; F134-F265 PolarHBondContact N-O 3.25Å; F134-A267 WeakPolarHBondContact O-CB 3.37Å; F134-A267 PolarHBondContact O-N 3.02Å
135F98.2Very high96.8Very high0 Ų030.7 Ų30.70%016%0.161CC..EExtended strand (participates in β ladder)trans-96.5105.5171.7-174.9-126.4000108R41 T44 C45 I48 F56 V104 F105 F106 G107 A267 E268R41-F135 VanDerWaalsContact CZ-CE2 3.46Å; R41-F135 VanDerWaalsContact NH2-CZ 3.25Å; T44-F135 HydrophobicContact CG2-CE1 4.24Å; T44-F135 HydrophobicContact CG2-CE2 3.56Å; T44-F135 HydrophobicContact CG2-CZ 3.34Å; C45-F135 VanDerWaalsContact SG-CD1 3.54Å; C45-F135 WeakPolarHBondContact SG-CE1 3.49Å; I48-F135 HydrophobicContact CD1-CD2 4.1Å; I48-F135 HydrophobicContact CD1-CE2 4.35Å; I48-F135 HydrophobicContact CD1-CG 4.4Å; F56-F135 HydrophobicContact CZ-CD1 4.47Å; V104-F135 HydrophobicContact CG1-CB 4.07Å; F105-F135 PolarHBondContact O-N 3.15Å; F106-F135 HydrophobicContact CD2-CB 4.4Å; F106-F135 AromaticContact CD2-CD1 3.32Å; F106-F135 HydrophobicContact CD2-CD1 3.32Å; F106-F135 AromaticContact CD2-CE1 3.95Å; F106-F135 HydrophobicContact CD2-CE1 3.95Å; F106-F135 HydrophobicContact CD2-CG 4.24Å; F106-F135 AromaticContact CE2-CD1 3.63Å; F106-F135 HydrophobicContact CE2-CD1 3.63Å; F106-F135 AromaticContact CE2-CE1 3.75Å; F106-F135 HydrophobicContact CE2-CE1 3.75Å; F106-F135 HydrophobicContact CG-CD1 4.24Å; G107-F135 PolarHBondContact N-O 3.46Å; F135-A267 HydrophobicContact CB-CB 3.95Å; F135-E268 HydrophobicContact CD2-CG 3.4Å; F135-E268 VanDerWaalsContact CD2-CG 3.4Å; F135-E268 HydrophobicContact CE2-CG 3.35Å
136C97Very high96.6Very high15 Ų1531.6 Ų31.610%0.10116%0.163CC..EExtended strand (participates in β ladder)trans-80.6120.2-171.9-169.10000111.4R41 F134 V256R41-C136 PolarHBondContact NH2-O 3.43Å; F134-C136 HydrophobicContact CD1-CB 3.98Å; F134-C136 HydrophobicContact CE1-CB 3.38Å; F134-C136 HydrophobicContact CZ-CB 4.05Å; C136-V256 PolarHBondContact SG-O 3.43Å
137Q96Very high96.3Very high10 Ų1029.3 Ų29.35%0.04714%0.142CC..EExtended strand (participates in β ladder)trans-131.942.1164.9-170.45843.500109.4L37 F106 G107 L108 G109L37-Q137 HydrophobicContact CD1-CG 3.6Å; F106-Q137 HydrophobicContact CD2-CB 4.28Å; F106-Q137 HydrophobicContact CE2-CB 3.39Å; F106-Q137 HydrophobicContact CE2-CG 4.07Å; F106-Q137 HydrophobicContact CZ-CB 3.93Å; F106-Q137 HydrophobicContact CZ-CG 4.15Å; G107-Q137 CarbonylContact O-C 3.57Å; G107-Q137 VanDerWaalsContact O-CA 3.23Å; G107-Q137 WeakPolarHBondContact O-CA 3.38Å; G107-Q137 PolarHBondContact O-N 3.19Å; L108-Q137 HydrophobicContact CD1-CB 4.2Å; L108-Q137 HydrophobicContact CD1-CG 3.63Å; G109-Q137 PolarHBondContact N-O 3.28Å
138H97Very high96.1Very high4 Ų424.6 Ų24.62%0.01913%0.125CC..EExtended strand (participates in β ladder)trans-80.5139.5167.1-73-44.1000109.7G107 G109 T113 M114 T117 F134 V256G107-H138 PolarHBondContact O-N 2.94Å; G109-H138 PolarHBondContact N-ND1 3.39Å; G109-H138 WeakPolarHBondContact O-CA 3.38Å; G109-H138 PolarHBondContact O-ND1 3.48Å; G109-H138 VanDerWaalsContact O-ND1 3.17Å; T113-H138 PolarHBondContact OG1-CE1 3.3Å; T113-H138 PolarHBondContact OG1-ND1 3.1Å; M114-H138 HydrophobicContact CE-CB 3.76Å; M114-H138 HydrophobicContact CG-CB 4.02Å; T117-H138 PolarHBondContact OG1-NE2 3.47Å; T117-H138 VanDerWaalsContact OG1-NE2 3.14Å; F134-H138 AromaticContact CZ-CD2 3.7Å; F134-H138 AromaticContact CZ-NE2 3.84Å; H138-V256 HydrophobicContact CB-CB 3.93Å; H138-V256 HydrophobicContact CB-CG1 3.96Å; H138-V256 HydrophobicContact CB-CG2 4.25Å; H138-V256 WeakPolarHBondContact O-CB 3.31Å
139I95.4Very high95.9Very high3 Ų320.7 Ų20.72%0.01510%0.104CC..BIsolated β-bridgetrans-137.7155.8179.456.8-174.3000108.6V36 G109 F110 M114 W245 S254V36-I139 HydrophobicContact CG2-CD1 3.66Å; G109-I139 PolarHBondContact O-N 3.28Å; G109-I139 VanDerWaalsContact O-N 3.09Å; F110-I139 WeakPolarHBondContact CA-O 3.27Å; F110-I139 HydrophobicContact CD1-CD1 4.41Å; F110-I139 HydrophobicContact CD1-CG1 3.77Å; F110-I139 WeakPolarHBondContact CD1-O 3.47Å; F110-I139 HydrophobicContact CE1-CD1 3.65Å; F110-I139 HydrophobicContact CE1-CG1 3.48Å; F110-I139 VanDerWaalsContact CE1-CG1 3.48Å; F110-I139 HydrophobicContact CZ-CD1 3.9Å; F110-I139 HydrophobicContact CZ-CG1 4.17Å; M114-I139 WeakPolarHBondContact CE-O 3.31Å; I139-W245 HydrophobicContact CB-CH2 4.16Å; I139-W245 HydrophobicContact CB-CZ2 3.55Å; I139-W245 HydrophobicContact CD1-CD2 3.99Å; I139-W245 HydrophobicContact CD1-CE3 3.84Å; I139-W245 HydrophobicContact CD1-CH2 3.57Å; I139-W245 HydrophobicContact CD1-CZ2 3.65Å; I139-W245 HydrophobicContact CD1-CZ3 3.63Å; I139-W245 HydrophobicContact CG1-CH2 3.88Å; I139-W245 HydrophobicContact CG1-CZ2 3.79Å; I139-W245 HydrophobicContact CG1-CZ3 4.42Å; I139-W245 HydrophobicContact CG2-CZ2 4.25Å; I139-S254 WeakPolarHBondContact CA-O 3.36Å
140T95.5Very high95.6Very high11 Ų1125.4 Ų25.47%0.06713%0.126CC..  trans-103.8143.5-178.855.30000112.1E111 M114 P143 V239 W245 S254 V256E111-T140 VanDerWaalsContact OE1-CA 3.27Å; E111-T140 WeakPolarHBondContact OE1-CA 3.21Å; E111-T140 WeakPolarHBondContact OE1-CB 3.42Å; M114-T140 HydrophobicContact CE-CG2 4.12Å; T140-P143 WeakPolarHBondContact OG1-CD 3.46Å; T140-P143 WeakPolarHBondContact OG1-CG 3.31Å; T140-V239 HydrophobicContact CG2-CG1 4.13Å; T140-V239 HydrophobicContact CG2-CG2 3.69Å; T140-W245 WeakPolarHBondContact O-CH2 3.41Å; T140-W245 WeakPolarHBondContact O-CZ2 3.5Å; T140-S254 PolarHBondContact N-O 3.29Å; T140-S254 WeakPolarHBondContact OG1-CA 3.36Å; T140-V256 HydrophobicContact CG2-CG2 3.84Å
141L94.4Very high95.3Very high1 Ų123.8 Ų23.81%0.00512%0.118CC..Hα-helixtrans-78.1-40-173.9178.662000112.6V3 F110 E111 T144 L145 P162 V165 Y174V3-L141 HydrophobicContact CG1-CD1 3.66Å; V3-L141 HydrophobicContact CG1-CD2 4.09Å; V3-L141 HydrophobicContact CG1-CG 4.43Å; F110-L141 HydrophobicContact CD1-CB 4.32Å; E111-L141 PolarHBondContact OE1-N 3.17Å; E111-L141 PolarHBondContact OE2-N 3.32Å; L141-T144 WeakPolarHBondContact O-CB 3.41Å; L141-T144 PolarHBondContact O-N 2.78Å; L141-L145 HydrophobicContact CD1-CD1 4.35Å; L141-L145 HydrophobicContact CD1-CD2 4.31Å; L141-L145 HydrophobicContact CD1-CG 4.08Å; L141-L145 HydrophobicContact CD2-CD1 4.3Å; L141-L145 HydrophobicContact CG-CD1 3.97Å; L141-L145 HydrophobicContact CG-CG 4.12Å; L141-L145 PolarHBondContact O-N 2.96Å; L141-P162 HydrophobicContact CD2-CG 3.57Å; L141-V165 HydrophobicContact CB-CG1 4.5Å; L141-V165 HydrophobicContact CD2-CB 4.43Å; L141-V165 HydrophobicContact CD2-CG1 4.08Å; L141-V165 HydrophobicContact CD2-CG2 4.44Å; L141-Y174 HydrophobicContact CD2-CE1 4.31Å
142I95.3Very high94.7Very high37 Ų3728.9 Ų28.919%0.1915%0.152CC..Hα-helixtrans-61.3-47.6-170.1-61.7-56.7000113.3T144 L145 R146 I169 A173 Y174 F176I142-T144 PolarHBondContact O-N 3.14Å; I142-L145 PolarHBondContact O-N 3.14Å; I142-R146 PolarHBondContact O-N 3.34Å; I142-I169 HydrophobicContact CD1-CD1 3.88Å; I142-I169 HydrophobicContact CG1-CD1 4.04Å; I142-A173 HydrophobicContact CD1-CB 3.99Å; I142-A173 HydrophobicContact CG1-CB 4.23Å; I142-Y174 HydrophobicContact CD1-CD1 3.66Å; I142-Y174 HydrophobicContact CD1-CE1 3.61Å; I142-F176 HydrophobicContact CD1-CE1 4.44Å; I142-F176 HydrophobicContact CG2-CD1 4.43Å; I142-F176 HydrophobicContact CG2-CE1 3.67Å; I142-F176 HydrophobicContact CG2-CZ 4.17Å
143P93.4Very high94.1Very high28 Ų2833.2 Ų33.218%0.18218%0.176CC..Hα-helixtrans-60-35.1176.7-23.935.9000112.6T140 R146 S147 I251 S253T140-P143 WeakPolarHBondContact OG1-CD 3.46Å; T140-P143 WeakPolarHBondContact OG1-CG 3.31Å; P143-R146 PolarHBondContact O-N 3.28Å; P143-S147 WeakPolarHBondContact O-CB 3.4Å; P143-S147 PolarHBondContact O-N 3Å; P143-I251 HydrophobicContact CB-CG2 4.2Å; P143-S253 VanDerWaalsContact CG-O 3.32Å; P143-S253 WeakPolarHBondContact CG-O 3.19Å
144T91.9Very high93.6Very high3 Ų333.7 Ų33.72%0.01818%0.18CC..Hα-helixtrans-68.1-42.7178.6-60.10000112.4P30 L141 I142 R146 S147 L148 W245 L248 I251P30-T144 HydrophobicContact CB-CG2 4.15Å; P30-T144 HydrophobicContact CG-CG2 3.59Å; L141-T144 WeakPolarHBondContact O-CB 3.41Å; L141-T144 PolarHBondContact O-N 2.78Å; I142-T144 PolarHBondContact O-N 3.14Å; T144-R146 VanDerWaalsContact C-N 3.3Å; T144-R146 PolarHBondContact O-N 2.82Å; T144-S147 PolarHBondContact O-N 3.47Å; T144-L148 WeakPolarHBondContact O-CB 3.37Å; T144-L148 PolarHBondContact O-N 3.19Å; T144-W245 HydrophobicContact CG2-CE3 4.15Å; T144-W245 HydrophobicContact CG2-CH2 3.87Å; T144-W245 HydrophobicContact CG2-CZ3 3.71Å; T144-W245 WeakPolarHBondContact OG1-CH2 3.4Å; T144-W245 WeakPolarHBondContact OG1-CZ2 3.42Å; T144-L248 HydrophobicContact CG2-CD1 3.95Å; T144-I251 HydrophobicContact CG2-CD1 3.75Å; T144-I251 WeakPolarHBondContact OG1-CD1 3.39Å
145L94.8Very high93.1Very high0 Ų036.4 Ų36.40%021%0.208CC..Hα-helixtrans-63.2-39174.4-65.5-178.6000111.6V3 L141 I142 L149 F159 Y174 F176 I177V3-L145 HydrophobicContact CG1-CD2 4.02Å; V3-L145 HydrophobicContact CG2-CD2 3.8Å; L141-L145 HydrophobicContact CD1-CD1 4.35Å; L141-L145 HydrophobicContact CD1-CD2 4.31Å; L141-L145 HydrophobicContact CD1-CG 4.08Å; L141-L145 HydrophobicContact CD2-CD1 4.3Å; L141-L145 HydrophobicContact CG-CD1 3.97Å; L141-L145 HydrophobicContact CG-CG 4.12Å; L141-L145 PolarHBondContact O-N 2.96Å; I142-L145 PolarHBondContact O-N 3.14Å; L145-L149 WeakPolarHBondContact O-CB 3.09Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 3.49Å; L145-L149 VanDerWaalsContact O-N 3.11Å; L145-F159 HydrophobicContact CD2-CE1 4.39Å; L145-Y174 HydrophobicContact CD1-CD1 4.1Å; L145-Y174 HydrophobicContact CD1-CE1 3.95Å; L145-F176 HydrophobicContact CB-CZ 4.38Å; L145-I177 HydrophobicContact CB-CD1 4.29Å; L145-I177 HydrophobicContact CD1-CD1 4.04Å
146R94.7Very high92.9Very high81 Ų8136.6 Ų36.631%0.30621%0.209SC..Hα-helixtrans-63-51174.1179.2175-65.4-82.41.9111.7I142 P143 T144 L148 L149 E150 F176 D180I142-R146 PolarHBondContact O-N 3.34Å; P143-R146 PolarHBondContact O-N 3.28Å; T144-R146 VanDerWaalsContact C-N 3.3Å; T144-R146 PolarHBondContact O-N 2.82Å; R146-L148 PolarHBondContact O-N 3.22Å; R146-L149 PolarHBondContact O-N 3.14Å; R146-E150 WeakPolarHBondContact CD-OE1 3.43Å; R146-E150 HydrophobicContact CG-CG 4.31Å; R146-E150 WeakPolarHBondContact CG-OE1 3.47Å; R146-E150 IonicContact NH1-OE1 3.58Å; R146-E150 WeakPolarHBondContact O-CG 3.27Å; R146-E150 PolarHBondContact O-N 2.87Å; R146-F176 HydrophobicContact CB-CE2 3.81Å; R146-F176 HydrophobicContact CB-CZ 4.12Å; R146-F176 HydrophobicContact CG-CE2 4.35Å; R146-D180 IonicContact NH1-OD2 3.94Å; R146-D180 IonicContact NH2-OD2 3.9Å
147S93Very high92.8Very high37 Ų3740.6 Ų40.626%0.25923%0.229SC..Hα-helixtrans-57-37.9179.1-179.70000112.5P143 T144 Q151P143-S147 WeakPolarHBondContact O-CB 3.4Å; P143-S147 PolarHBondContact O-N 3Å; T144-S147 PolarHBondContact O-N 3.47Å; S147-Q151 WeakPolarHBondContact O-CG 3.12Å; S147-Q151 PolarHBondContact O-NE2 2.88Å
148L92Very high92.9Very high14 Ų1440.9 Ų40.97%0.07323%0.233CC..Hα-helixtrans-67.2-41.8175.4-178.165.4000112.5M1 T144 R146 E150 Q151 N154 I156 T291M1-L148 HydrophobicContact CE-CD2 3.82Å; M1-L148 HydrophobicContact SD-CD2 3.47Å; M1-L148 WeakPolarHBondContact SD-CD2 3.5Å; T144-L148 WeakPolarHBondContact O-CB 3.37Å; T144-L148 PolarHBondContact O-N 3.19Å; R146-L148 PolarHBondContact O-N 3.22Å; L148-E150 VanDerWaalsContact C-N 3.33Å; L148-Q151 PolarHBondContact O-N 3.49Å; L148-N154 WeakPolarHBondContact O-CB 3.38Å; L148-I156 HydrophobicContact CD1-CD1 4.26Å; L148-I156 HydrophobicContact CD2-CD1 3.44Å; L148-I156 VanDerWaalsContact CD2-CD1 3.44Å; L148-I156 HydrophobicContact CG-CD1 3.68Å; L148-T291 HydrophobicContact CD1-CG2 3.88Å
149L93.8Very high93Very high6 Ų640.7 Ų40.73%0.03123%0.233CC..Hα-helixtrans-70.7-27.9179.3-80.9167.6000113.4L145 R146 Q151 N154 F159 F176 I177 F181 R183L145-L149 WeakPolarHBondContact O-CB 3.09Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 3.49Å; L145-L149 VanDerWaalsContact O-N 3.11Å; R146-L149 PolarHBondContact O-N 3.14Å; L149-Q151 VanDerWaalsContact C-N 3.28Å; L149-N154 PolarHBondContact O-ND2 3.05Å; L149-F159 HydrophobicContact CD1-CE2 4.16Å; L149-F159 HydrophobicContact CD1-CZ 4.14Å; L149-F159 HydrophobicContact CD2-CE2 3.79Å; L149-F159 HydrophobicContact CD2-CZ 3.75Å; L149-F159 HydrophobicContact CG-CE2 4.24Å; L149-F159 HydrophobicContact CG-CZ 3.92Å; L149-F176 HydrophobicContact CD1-CE2 4.34Å; L149-I177 HydrophobicContact CD1-CB 4.34Å; L149-I177 HydrophobicContact CD1-CD1 4.3Å; L149-I177 HydrophobicContact CD1-CG1 3.79Å; L149-I177 HydrophobicContact CD1-CG2 4.05Å; L149-F181 HydrophobicContact CB-CD1 3.72Å; L149-F181 HydrophobicContact CB-CD2 4.24Å; L149-F181 HydrophobicContact CB-CE1 3.66Å; L149-F181 HydrophobicContact CB-CE2 4.2Å; L149-F181 HydrophobicContact CB-CG 4.01Å; L149-F181 HydrophobicContact CB-CZ 3.91Å; L149-F181 HydrophobicContact CD1-CB 4.29Å; L149-F181 HydrophobicContact CD1-CD2 3.85Å; L149-F181 HydrophobicContact CD1-CE2 4.31Å; L149-F181 HydrophobicContact CD1-CG 3.98Å; L149-F181 HydrophobicContact CD2-CB 4.23Å; L149-F181 HydrophobicContact CD2-CD1 4.36Å; L149-F181 HydrophobicContact CD2-CG 4.28Å; L149-F181 HydrophobicContact CG-CD1 4.44Å; L149-F181 HydrophobicContact CG-CG 4.33Å; L149-R183 HydrophobicContact CD2-CG 4.12Å
150E93.4Very high93.1Very high113 Ų11340.7 Ų40.753%0.52823%0.233SC..THydrogen-bonded Turntrans-78.5-9.8177.9-71.9170175.200113.2R146 L148 F181R146-E150 WeakPolarHBondContact CD-OE1 3.43Å; R146-E150 HydrophobicContact CG-CG 4.31Å; R146-E150 WeakPolarHBondContact CG-OE1 3.47Å; R146-E150 IonicContact NH1-OE1 3.58Å; R146-E150 WeakPolarHBondContact O-CG 3.27Å; R146-E150 PolarHBondContact O-N 2.87Å; L148-E150 VanDerWaalsContact C-N 3.33Å; E150-F181 HydrophobicContact CG-CE1 4.04Å; E150-F181 HydrophobicContact CG-CZ 3.76Å
151Q90.3Very high93.2Very high83 Ų8340.2 Ų40.239%0.38823%0.23SC..SBendtrans-65.9131.8174.3-61.2-57.2-4400110.6S147 L148 L149 D153 N154S147-Q151 WeakPolarHBondContact O-CG 3.12Å; S147-Q151 PolarHBondContact O-NE2 2.88Å; L148-Q151 PolarHBondContact O-N 3.49Å; L149-Q151 VanDerWaalsContact C-N 3.28Å; Q151-D153 PolarHBondContact O-N 3.33Å; Q151-N154 HydrophobicContact CB-CB 4.3Å; Q151-N154 WeakPolarHBondContact O-CB 3.48Å; Q151-N154 PolarHBondContact O-N 3.23Å; Q151-N154 VanDerWaalsContact O-N 3.16Å
152P86Confident93.3Very high131 Ų13140.3 Ų40.385%0.85123%0.231SC*.THydrogen-bonded Turntrans-66-23.6-17625.7-34.7000113.4
153D86.9Confident93.4Very high94 Ų9438.8 Ų38.850%0.50322%0.224SC..THydrogen-bonded Turntrans-99.914.7179.669-23.2000113.4Q151 G155 K293Q151-D153 PolarHBondContact O-N 3.33Å; D153-G155 PolarHBondContact O-N 3.37Å; D153-K293 IonicContact OD1-NZ 3.45Å; D153-K293 PolarHBondContact OD1-NZ 3.16Å; D153-K293 WeakPolarHBondContact OD2-CE 3.39Å; D153-K293 IonicContact OD2-NZ 3.75Å; D153-K293 PolarHBondContact OD2-NZ 3.41Å
154N87.2Confident93.5Very high35 Ų3541.6 Ų41.619%0.18723%0.234CC..  trans-68.3122.2178.7126.173000111.7L148 L149 Q151 I156L148-N154 WeakPolarHBondContact O-CB 3.38Å; L149-N154 PolarHBondContact O-ND2 3.05Å; Q151-N154 HydrophobicContact CB-CB 4.3Å; Q151-N154 WeakPolarHBondContact O-CB 3.48Å; Q151-N154 PolarHBondContact O-N 3.23Å; Q151-N154 VanDerWaalsContact O-N 3.16Å; N154-I156 WeakPolarHBondContact OD1-CB 3.1Å; N154-I156 PolarHBondContact OD1-N 3.35Å
155G88.5Confident93.7Very high58 Ų5841.9 Ų41.960%0.59824%0.236SC*.  trans-101.915.1179.100000114.1D153 D157D153-G155 PolarHBondContact O-N 3.37Å; G155-D157 PolarHBondContact O-N 2.78Å
156I94.3Very high93.9Very high4 Ų441.9 Ų41.92%0.02124%0.236CC..  trans-78.6118.8-169.6-59.6161.1000110.3M1 L148 N154 F159 R183M1-I156 HydrophobicContact CB-CG1 4.46Å; M1-I156 HydrophobicContact CB-CG2 3.72Å; M1-I156 HydrophobicContact CE-CD1 3.48Å; M1-I156 VanDerWaalsContact CE-CD1 3.48Å; M1-I156 HydrophobicContact CE-CG1 4.01Å; M1-I156 HydrophobicContact SD-CD1 3.69Å; M1-I156 HydrophobicContact SD-CG1 4.49Å; L148-I156 HydrophobicContact CD1-CD1 4.26Å; L148-I156 HydrophobicContact CD2-CD1 3.44Å; L148-I156 VanDerWaalsContact CD2-CD1 3.44Å; L148-I156 HydrophobicContact CG-CD1 3.68Å; N154-I156 WeakPolarHBondContact OD1-CB 3.1Å; N154-I156 PolarHBondContact OD1-N 3.35Å; I156-F159 HydrophobicContact CB-CE2 4.5Å; I156-F159 HydrophobicContact CB-CZ 4.1Å; I156-F159 HydrophobicContact CD1-CE1 4.16Å; I156-F159 HydrophobicContact CD1-CZ 4.01Å; I156-F159 HydrophobicContact CG2-CD1 4.34Å; I156-F159 HydrophobicContact CG2-CD2 4.26Å; I156-F159 HydrophobicContact CG2-CE1 3.83Å; I156-F159 HydrophobicContact CG2-CE2 3.72Å; I156-F159 HydrophobicContact CG2-CZ 3.49Å; I156-F159 VanDerWaalsContact CG2-CZ 3.49Å; I156-R183 WeakPolarHBondContact O-CD 3.43Å; I156-R183 PolarHBondContact O-NE 3.13Å; I156-R183 PolarHBondContact O-NH1 2.93Å
157D95.6Very high94Very high99 Ų9941.3 Ų41.353%0.52924%0.237SC..  trans-78.3-38.5-179.3-88-57000114.6G155 R183 P184 K206G155-D157 PolarHBondContact O-N 2.78Å; D157-R183 IonicContact OD1-NH1 3.8Å; D157-P184 WeakPolarHBondContact O-CD 3.04Å; D157-K206 WeakPolarHBondContact O-CE 3.38Å; D157-K206 PolarHBondContact O-NZ 3.29Å; D157-K206 IonicContact OD1-NZ 2.91Å; D157-K206 PolarHBondContact OD1-NZ 2.87Å
158A97.7Very high94.3Very high16 Ų1639.6 Ų39.613%0.13223%0.226CC..  trans-161.4157.5-167.400000110.5M1 P184 L202M1-A158 PolarHBondContact N-O 3.14Å; A158-P184 WeakPolarHBondContact CA-O 3.46Å; A158-P184 HydrophobicContact CB-CG 3.76Å; A158-L202 HydrophobicContact CB-CB 4.43Å; A158-L202 HydrophobicContact CB-CD1 4.13Å; A158-L202 HydrophobicContact CB-CD2 4.09Å; A158-L202 HydrophobicContact CB-CG 4.45Å
159F98.1Very high94.5Very high0 Ų040.5 Ų40.50%023%0.23CC..EExtended strand (participates in β ladder)trans-120.5132.1180-67-90.9000113M1 V3 L145 L149 I156 I177 R183 P184 L185 V186M1-F159 HydrophobicContact CB-CD1 4.15Å; M1-F159 HydrophobicContact CB-CE1 4.26Å; M1-F159 HydrophobicContact CG-CD1 4.28Å; M1-F159 HydrophobicContact CG-CE1 4.32Å; M1-F159 CarbonylContact O-C 3.17Å; M1-F159 WeakPolarHBondContact O-CA 3.49Å; M1-F159 HydrophobicContact SD-CD1 4.35Å; M1-F159 HydrophobicContact SD-CE1 3.86Å; V3-F159 HydrophobicContact CG2-CD1 3.86Å; L145-F159 HydrophobicContact CD2-CE1 4.39Å; L149-F159 HydrophobicContact CD1-CE2 4.16Å; L149-F159 HydrophobicContact CD1-CZ 4.14Å; L149-F159 HydrophobicContact CD2-CE2 3.79Å; L149-F159 HydrophobicContact CD2-CZ 3.75Å; L149-F159 HydrophobicContact CG-CE2 4.24Å; L149-F159 HydrophobicContact CG-CZ 3.92Å; I156-F159 HydrophobicContact CB-CE2 4.5Å; I156-F159 HydrophobicContact CB-CZ 4.1Å; I156-F159 HydrophobicContact CD1-CE1 4.16Å; I156-F159 HydrophobicContact CD1-CZ 4.01Å; I156-F159 HydrophobicContact CG2-CD1 4.34Å; I156-F159 HydrophobicContact CG2-CD2 4.26Å; I156-F159 HydrophobicContact CG2-CE1 3.83Å; I156-F159 HydrophobicContact CG2-CE2 3.72Å; I156-F159 HydrophobicContact CG2-CZ 3.49Å; I156-F159 VanDerWaalsContact CG2-CZ 3.49Å; F159-I177 HydrophobicContact CD2-CG2 3.75Å; F159-I177 HydrophobicContact CE2-CG2 3.91Å; F159-R183 HydrophobicContact CD2-CB 4.24Å; F159-R183 HydrophobicContact CE2-CB 4.11Å; F159-R183 HydrophobicContact CE2-CG 4.36Å; F159-P184 PolarHBondContact N-O 3.5Å; F159-L185 HydrophobicContact CB-CB 4.22Å; F159-L185 HydrophobicContact CB-CD1 3.79Å; F159-L185 HydrophobicContact CB-CG 3.94Å; F159-L185 HydrophobicContact CG-CD1 4.43Å; F159-L185 WeakPolarHBondContact O-CA 3.48Å; F159-V186 PolarHBondContact O-N 3.43Å
160L97.9Very high94.7Very high4 Ų440.2 Ų40.22%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-94.2108.7156.3-71.5169.6000107.9M1 E2 V3 F26 V186 A188 L195 V199 L202M1-L160 PolarHBondContact O-N 3.45Å; E2-L160 HydrophobicContact CB-CB 4.22Å; E2-L160 HydrophobicContact CB-CD1 4.41Å; V3-L160 PolarHBondContact N-O 3.16Å; F26-L160 HydrophobicContact CE1-CD1 4.12Å; L160-V186 CarbonylContact C-O 3.53Å; L160-V186 WeakPolarHBondContact CA-O 3.36Å; L160-V186 HydrophobicContact CD2-CB 4.36Å; L160-A188 HydrophobicContact CD2-CB 4.16Å; L160-L195 HydrophobicContact CD1-CD2 4.41Å; L160-V199 HydrophobicContact CD1-CG2 4.06Å; L160-L202 HydrophobicContact CD2-CD1 3.68Å; L160-L202 HydrophobicContact CG-CD1 3.76Å
161A97.8Very high94.9Very high0 Ų035.2 Ų35.20%021%0.206CC..EExtended strand (participates in β ladder)trans-85.4146.3-178.500000111.6H7 G163 Y174 L185 V186 V187 A188H7-A161 PolarHBondContact CE1-O 3.06Å; A161-G163 PolarHBondContact O-N 3.49Å; A161-Y174 HydrophobicContact CB-CE1 4.25Å; A161-Y174 HydrophobicContact CB-CE2 4.24Å; A161-L185 HydrophobicContact CB-CD1 4.08Å; A161-L185 HydrophobicContact CB-CD2 3.72Å; A161-L185 HydrophobicContact CB-CG 3.96Å; A161-V186 PolarHBondContact N-O 3.08Å; A161-V187 HydrophobicContact CB-CG2 3.83Å; A161-A188 PolarHBondContact O-N 3.36Å
162P97Very high95.2Very high4 Ų435.9 Ų35.93%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-69.5122.5-173.526.6-32.1000111.6V3 C4 L141 H164 V165 S166V3-P162 HydrophobicContact CG1-CG 4.34Å; C4-P162 HydrophobicContact CB-CB 3.79Å; L141-P162 HydrophobicContact CD2-CG 3.57Å; P162-H164 PolarHBondContact O-N 2.92Å; P162-V165 HydrophobicContact CB-CB 4.27Å; P162-V165 HydrophobicContact CB-CG2 3.88Å; P162-V165 HydrophobicContact CG-CB 3.78Å; P162-V165 HydrophobicContact CG-CG2 3.63Å; P162-S166 WeakPolarHBondContact O-CB 3.43Å; P162-S166 PolarHBondContact O-N 3.21Å; P162-S166 VanDerWaalsContact O-N 3.17Å; P162-S166 PolarHBondContact O-OG 3.36Å
163G96.9Very high95.7Very high4 Ų431.3 Ų31.34%0.04119%0.185CC..Hα-helixtrans-54.2-48.6177.700000114.9A161 S166 M167 A188 V221A161-G163 PolarHBondContact O-N 3.49Å; G163-S166 PolarHBondContact O-N 3.39Å; G163-M167 PolarHBondContact O-N 2.96Å; G163-A188 WeakPolarHBondContact CA-O 3.49Å; G163-A188 PolarHBondContact N-O 3.23Å; G163-A188 VanDerWaalsContact N-O 3.09Å; G163-V221 WeakPolarHBondContact O-CG2 2.83Å
164H95.6Very high96.2Very high88 Ų8826.8 Ų26.841%0.40716%0.161SC..Hα-helixtrans-70.7-36-174.5-63.9138.9000113.7T112 P162 S166 M167 F190T112-H164 HydrophobicContact CG2-CB 3.7Å; T112-H164 WeakPolarHBondContact CG2-O 3.26Å; P162-H164 PolarHBondContact O-N 2.92Å; H164-S166 VanDerWaalsContact C-N 3.33Å; H164-M167 WeakPolarHBondContact O-CB 3.01Å; H164-M167 PolarHBondContact O-N 3.38Å; H164-F190 AromaticContact CE1-CD1 3.77Å; H164-F190 AromaticContact CE1-CE1 3.51Å; H164-F190 AromaticContact NE2-CE1 3.79Å
165V96.8Very high96.7Very high9 Ų928.6 Ų28.66%0.05517%0.171CC..Hα-helixtrans-66.3-43.9175.2-174.60000109F110 E111 T112 L141 P162 M167 V168 I169F110-V165 HydrophobicContact CB-CG2 4.45Å; E111-V165 HydrophobicContact CB-CG1 4.14Å; E111-V165 WeakPolarHBondContact OE2-CG1 3.26Å; T112-V165 HydrophobicContact CG2-CB 3.96Å; T112-V165 HydrophobicContact CG2-CG2 3.54Å; L141-V165 HydrophobicContact CB-CG1 4.5Å; L141-V165 HydrophobicContact CD2-CB 4.43Å; L141-V165 HydrophobicContact CD2-CG1 4.08Å; L141-V165 HydrophobicContact CD2-CG2 4.44Å; P162-V165 HydrophobicContact CB-CB 4.27Å; P162-V165 HydrophobicContact CB-CG2 3.88Å; P162-V165 HydrophobicContact CG-CB 3.78Å; P162-V165 HydrophobicContact CG-CG2 3.63Å; V165-M167 PolarHBondContact O-N 3.42Å; V165-V168 WeakPolarHBondContact O-CA 3.46Å; V165-V168 WeakPolarHBondContact O-CB 3.39Å; V165-V168 PolarHBondContact O-N 3.15Å; V165-I169 HydrophobicContact CG1-CD1 4.01Å; V165-I169 HydrophobicContact CG1-CG1 4.38Å; V165-I169 PolarHBondContact O-N 3.04Å
166S98Very high97.1Very high0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-63-28.2176.7-52.60000113.2P162 G163 H164 V168 G170 Y174P162-S166 WeakPolarHBondContact O-CB 3.43Å; P162-S166 PolarHBondContact O-N 3.21Å; P162-S166 VanDerWaalsContact O-N 3.17Å; P162-S166 PolarHBondContact O-OG 3.36Å; G163-S166 PolarHBondContact O-N 3.39Å; H164-S166 VanDerWaalsContact C-N 3.33Å; S166-V168 PolarHBondContact O-N 3.08Å; S166-G170 WeakPolarHBondContact O-CA 3.45Å; S166-G170 PolarHBondContact O-N 3.04Å; S166-Y174 WeakPolarHBondContact OG-CE2 3.21Å; S166-Y174 PolarHBondContact OG-OH 2.96Å
167M97.7Very high97.3Very high68 Ų6826.7 Ų26.734%0.33515%0.146SC..Hα-helixtrans-58.3-31.9170.4-176-165.667.600111.6G163 H164 V165 V220 G225 N226G163-M167 PolarHBondContact O-N 2.96Å; H164-M167 WeakPolarHBondContact O-CB 3.01Å; H164-M167 PolarHBondContact O-N 3.38Å; V165-M167 PolarHBondContact O-N 3.42Å; M167-V220 HydrophobicContact CG-CG1 4.44Å; M167-V220 HydrophobicContact SD-CG1 4.32Å; M167-G225 CarbonylContact O-C 3.59Å; M167-N226 WeakPolarHBondContact O-CB 2.87Å; M167-N226 PolarHBondContact O-N 3.1Å
168V98.3Very high97.3Very high2 Ų222.5 Ų22.51%0.01213%0.125CC..Hα-helixtrans-86.2-55.3177.6-177.90000110.8E111 P115 V165 S166 N226 A229 Q230 I233E111-V168 HydrophobicContact CB-CG1 4.35Å; E111-V168 WeakPolarHBondContact O-CG1 3.41Å; E111-V168 WeakPolarHBondContact O-CG2 3.45Å; P115-V168 HydrophobicContact CG-CG1 4.1Å; P115-V168 HydrophobicContact CG-CG2 4.17Å; V165-V168 WeakPolarHBondContact O-CA 3.46Å; V165-V168 WeakPolarHBondContact O-CB 3.39Å; V165-V168 PolarHBondContact O-N 3.15Å; S166-V168 PolarHBondContact O-N 3.08Å; V168-N226 PolarHBondContact O-N 2.94Å; V168-N226 VanDerWaalsContact O-N 3.13Å; V168-A229 HydrophobicContact CG1-CB 4.21Å; V168-Q230 WeakPolarHBondContact O-CG 3.48Å; V168-Q230 PolarHBondContact O-NE2 2.87Å; V168-I233 HydrophobicContact CG1-CD1 3.71Å
169I97.6Very high97.3Very high32 Ų3225 Ų2516%0.16414%0.142CC..Hα-helixtrans-88-12.6-169.870.7176.4000114.5E111 I142 V165 A173 Y174E111-I169 HydrophobicContact CB-CG2 3.57Å; E111-I169 HydrophobicContact CG-CG2 3.62Å; I142-I169 HydrophobicContact CD1-CD1 3.88Å; I142-I169 HydrophobicContact CG1-CD1 4.04Å; V165-I169 HydrophobicContact CG1-CD1 4.01Å; V165-I169 HydrophobicContact CG1-CG1 4.38Å; V165-I169 PolarHBondContact O-N 3.04Å; I169-A173 HydrophobicContact CB-CB 4.35Å; I169-A173 HydrophobicContact CD1-CB 3.81Å; I169-A173 HydrophobicContact CG1-CB 4.02Å; I169-Y174 HydrophobicContact CD1-CE1 4.4Å; I169-Y174 HydrophobicContact CD1-CE2 4.38Å
170G97.9Very high97.2Very high0 Ų029.3 Ų29.30%017%0.165CC..  trans81.9178.8-173.100000113.3S166 D223 G225S166-G170 WeakPolarHBondContact O-CA 3.45Å; S166-G170 PolarHBondContact O-N 3.04Å; G170-D223 CarbonylContact C-O 3.55Å; G170-D223 WeakPolarHBondContact CA-O 3.41Å; G170-G225 VanDerWaalsContact CA-CA 3.45Å
171T97.7Very high97.2Very high9 Ų931.4 Ų31.46%0.05517%0.174CC..SBendtrans-87.5-27.3176.457.60000112.2A173 Y174 V187 N215 V221 D223T171-A173 PolarHBondContact O-N 3.14Å; T171-Y174 WeakPolarHBondContact O-CD2 3.38Å; T171-Y174 PolarHBondContact O-N 3.04Å; T171-V187 HydrophobicContact CG2-CB 4.47Å; T171-V187 HydrophobicContact CG2-CG2 3.93Å; T171-N215 HydrophobicContact CG2-CB 4.01Å; T171-V221 HydrophobicContact CG2-CG1 4Å; T171-D223 PolarHBondContact N-O 2.98Å; T171-D223 WeakPolarHBondContact OG1-CA 3.46Å; T171-D223 PolarHBondContact OG1-O 3.38Å
172D96.4Very high97.1Very high97 Ų9737.9 Ų37.952%0.51920%0.204SC..G310 helixtrans-62.6-26.8-176.6-71.4-25.3000113.2Y174 N175D172-Y174 PolarHBondContact O-N 3.18Å; D172-N175 WeakPolarHBondContact CA-ND2 3.33Å; D172-N175 WeakPolarHBondContact O-CB 3.39Å; D172-N175 PolarHBondContact O-N 2.79Å; D172-N175 PolarHBondContact O-ND2 3.47Å; D172-N175 PolarHBondContact OD1-ND2 3.2Å
173A95.9Very high97.1Very high34 Ų3440.7 Ų40.728%0.28121%0.214SC..G310 helixtrans-57.1-22.6175.300000113.2I142 I169 T171 F176I142-A173 HydrophobicContact CD1-CB 3.99Å; I142-A173 HydrophobicContact CG1-CB 4.23Å; I169-A173 HydrophobicContact CB-CB 4.35Å; I169-A173 HydrophobicContact CD1-CB 3.81Å; I169-A173 HydrophobicContact CG1-CB 4.02Å; T171-A173 PolarHBondContact O-N 3.14Å; A173-F176 WeakPolarHBondContact O-CD1 3.45Å; A173-F176 WeakPolarHBondContact O-CE1 3.41Å
174Y97.9Very high97.2Very high0 Ų040.5 Ų40.50%021%0.212CC..G310 helixtrans-95.2-3.4179.9-54.5-71.2000114.3L141 I142 L145 A161 S166 I169 T171 D172 F176 I177 L185 V187L141-Y174 HydrophobicContact CD2-CE1 4.31Å; I142-Y174 HydrophobicContact CD1-CD1 3.66Å; I142-Y174 HydrophobicContact CD1-CE1 3.61Å; L145-Y174 HydrophobicContact CD1-CD1 4.1Å; L145-Y174 HydrophobicContact CD1-CE1 3.95Å; A161-Y174 HydrophobicContact CB-CE1 4.25Å; A161-Y174 HydrophobicContact CB-CE2 4.24Å; S166-Y174 WeakPolarHBondContact OG-CE2 3.21Å; S166-Y174 PolarHBondContact OG-OH 2.96Å; I169-Y174 HydrophobicContact CD1-CE1 4.4Å; I169-Y174 HydrophobicContact CD1-CE2 4.38Å; T171-Y174 WeakPolarHBondContact O-CD2 3.38Å; T171-Y174 PolarHBondContact O-N 3.04Å; D172-Y174 PolarHBondContact O-N 3.18Å; Y174-F176 PolarHBondContact O-N 2.82Å; Y174-I177 HydrophobicContact CD1-CD1 4.31Å; Y174-I177 WeakPolarHBondContact O-CB 3.24Å; Y174-I177 PolarHBondContact O-N 2.91Å; Y174-L185 HydrophobicContact CD1-CD1 3.94Å; Y174-L185 HydrophobicContact CD2-CD2 4.1Å; Y174-L185 HydrophobicContact CG-CD1 3.91Å; Y174-L185 HydrophobicContact CG-CD2 3.96Å; Y174-V187 HydrophobicContact CD2-CG2 4.19Å; Y174-V187 HydrophobicContact CE2-CG2 4Å
175N97.4Very high97.3Very high73 Ų7336.3 Ų36.339%0.3919%0.192SC..Hα-helixtrans-54.6-34.5-172.1-79-26.5000113.2D172 I177 A178 S179D172-N175 WeakPolarHBondContact CA-ND2 3.33Å; D172-N175 WeakPolarHBondContact O-CB 3.39Å; D172-N175 PolarHBondContact O-N 2.79Å; D172-N175 PolarHBondContact O-ND2 3.47Å; D172-N175 PolarHBondContact OD1-ND2 3.2Å; N175-I177 PolarHBondContact O-N 3.27Å; N175-I177 VanDerWaalsContact O-N 3.17Å; N175-A178 PolarHBondContact O-N 2.93Å; N175-A178 VanDerWaalsContact O-N 3.11Å; N175-S179 PolarHBondContact O-N 3.19Å; N175-S179 PolarHBondContact O-OG 2.95Å
176F97.1Very high97.4Very high21 Ų2135.9 Ų35.99%0.09219%0.19CC..Hα-helixtrans-57.3-29.2177.681-87000113.6I142 L145 R146 L149 A173 Y174 S179 D180 F181I142-F176 HydrophobicContact CD1-CE1 4.44Å; I142-F176 HydrophobicContact CG2-CD1 4.43Å; I142-F176 HydrophobicContact CG2-CE1 3.67Å; I142-F176 HydrophobicContact CG2-CZ 4.17Å; L145-F176 HydrophobicContact CB-CZ 4.38Å; R146-F176 HydrophobicContact CB-CE2 3.81Å; R146-F176 HydrophobicContact CB-CZ 4.12Å; R146-F176 HydrophobicContact CG-CE2 4.35Å; L149-F176 HydrophobicContact CD1-CE2 4.34Å; A173-F176 WeakPolarHBondContact O-CD1 3.45Å; A173-F176 WeakPolarHBondContact O-CE1 3.41Å; Y174-F176 PolarHBondContact O-N 2.82Å; F176-S179 WeakPolarHBondContact CA-OG 3.44Å; F176-D180 WeakPolarHBondContact O-CA 3.33Å; F176-D180 WeakPolarHBondContact O-CB 3.22Å; F176-D180 PolarHBondContact O-N 3.03Å; F176-F181 HydrophobicContact CD2-CD2 4.02Å; F176-F181 AromaticContact CD2-CE2 3.81Å; F176-F181 HydrophobicContact CD2-CE2 3.81Å; F176-F181 HydrophobicContact CE2-CD2 4.33Å; F176-F181 HydrophobicContact CE2-CE2 4.03Å
177I97.3Very high97.4Very high0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-67.7-40.8179.7-63.2178.9000110.4L145 L149 F159 Y174 N175 F181 H182 R183 L185L145-I177 HydrophobicContact CB-CD1 4.29Å; L145-I177 HydrophobicContact CD1-CD1 4.04Å; L149-I177 HydrophobicContact CD1-CB 4.34Å; L149-I177 HydrophobicContact CD1-CD1 4.3Å; L149-I177 HydrophobicContact CD1-CG1 3.79Å; L149-I177 HydrophobicContact CD1-CG2 4.05Å; F159-I177 HydrophobicContact CD2-CG2 3.75Å; F159-I177 HydrophobicContact CE2-CG2 3.91Å; Y174-I177 HydrophobicContact CD1-CD1 4.31Å; Y174-I177 WeakPolarHBondContact O-CB 3.24Å; Y174-I177 PolarHBondContact O-N 2.91Å; N175-I177 PolarHBondContact O-N 3.27Å; N175-I177 VanDerWaalsContact O-N 3.17Å; I177-F181 CarbonylContact O-C 3.52Å; I177-F181 WeakPolarHBondContact O-CB 3.39Å; I177-F181 PolarHBondContact O-N 2.82Å; I177-H182 PolarHBondContact O-N 3.35Å; I177-R183 HydrophobicContact CG2-CB 3.86Å; I177-R183 PolarHBondContact O-N 3.39Å; I177-R183 VanDerWaalsContact O-N 3.11Å; I177-L185 HydrophobicContact CB-CD1 4.41Å; I177-L185 HydrophobicContact CD1-CD1 3.54Å; I177-L185 HydrophobicContact CG1-CD1 4.5Å; I177-L185 HydrophobicContact CG2-CD1 4.34Å
178A97.3Very high97.4Very high11 Ų1132.6 Ų32.69%0.09117%0.174CC..Hα-helixtrans-78.8-41.5177.500000112N175 H182 R183 V213N175-A178 PolarHBondContact O-N 2.93Å; N175-A178 VanDerWaalsContact O-N 3.11Å; A178-H182 WeakPolarHBondContact O-CA 3.35Å; A178-H182 PolarHBondContact O-N 3.02Å; A178-H182 PolarHBondContact O-ND1 3.09Å; A178-R183 WeakPolarHBondContact CA-O 3.25Å; A178-V213 HydrophobicContact CB-CG2 4.29Å
179S96.8Very high97.4Very high69 Ų6932.6 Ų32.648%0.48317%0.174SC..Hα-helixtrans-75.7-46.6-176.261.40000113.4N175 F176 H182N175-S179 PolarHBondContact O-N 3.19Å; N175-S179 PolarHBondContact O-OG 2.95Å; F176-S179 WeakPolarHBondContact CA-OG 3.44Å; S179-H182 PolarHBondContact O-CE1 2.87Å; S179-H182 PolarHBondContact O-ND1 2.89Å
180D96.6Very high97.2Very high91 Ų9135.1 Ų35.149%0.48718%0.184SC..THydrogen-bonded Turntrans-94.6-35.5-168.5-50-8.8000111R146 F176R146-D180 IonicContact NH1-OD2 3.94Å; R146-D180 IonicContact NH2-OD2 3.9Å; F176-D180 WeakPolarHBondContact O-CA 3.33Å; F176-D180 WeakPolarHBondContact O-CB 3.22Å; F176-D180 PolarHBondContact O-N 3.03Å
181F96.3Very high97.1Very high48 Ų4839.6 Ų39.621%0.21120%0.204CC..SBendtrans-107.5-5.4-175.8-63.8-83.8000114L149 E150 F176 I177 R183L149-F181 HydrophobicContact CB-CD1 3.72Å; L149-F181 HydrophobicContact CB-CD2 4.24Å; L149-F181 HydrophobicContact CB-CE1 3.66Å; L149-F181 HydrophobicContact CB-CE2 4.2Å; L149-F181 HydrophobicContact CB-CG 4.01Å; L149-F181 HydrophobicContact CB-CZ 3.91Å; L149-F181 HydrophobicContact CD1-CB 4.29Å; L149-F181 HydrophobicContact CD1-CD2 3.85Å; L149-F181 HydrophobicContact CD1-CE2 4.31Å; L149-F181 HydrophobicContact CD1-CG 3.98Å; L149-F181 HydrophobicContact CD2-CB 4.23Å; L149-F181 HydrophobicContact CD2-CD1 4.36Å; L149-F181 HydrophobicContact CD2-CG 4.28Å; L149-F181 HydrophobicContact CG-CD1 4.44Å; L149-F181 HydrophobicContact CG-CG 4.33Å; E150-F181 HydrophobicContact CG-CE1 4.04Å; E150-F181 HydrophobicContact CG-CZ 3.76Å; F176-F181 HydrophobicContact CD2-CD2 4.02Å; F176-F181 AromaticContact CD2-CE2 3.81Å; F176-F181 HydrophobicContact CD2-CE2 3.81Å; F176-F181 HydrophobicContact CE2-CD2 4.33Å; F176-F181 HydrophobicContact CE2-CE2 4.03Å; I177-F181 CarbonylContact O-C 3.52Å; I177-F181 WeakPolarHBondContact O-CB 3.39Å; I177-F181 PolarHBondContact O-N 2.82Å; F181-R183 HydrophobicContact CB-CG 4.25Å; F181-R183 WeakPolarHBondContact O-CG 3.44Å; F181-R183 PolarHBondContact O-N 3.19Å
182H96.3Very high97Very high136 Ų13640.6 Ų40.663%0.6321%0.211SC*.  trans50.843.8-180-53.4-50.7000113.2I177 A178 S179 S211I177-H182 PolarHBondContact O-N 3.35Å; A178-H182 WeakPolarHBondContact O-CA 3.35Å; A178-H182 PolarHBondContact O-N 3.02Å; A178-H182 PolarHBondContact O-ND1 3.09Å; S179-H182 PolarHBondContact O-CE1 2.87Å; S179-H182 PolarHBondContact O-ND1 2.89Å; H182-S211 PolarHBondContact O-OG 2.86Å
183R97.2Very high97Very high62 Ų6242.5 Ų42.523%0.23422%0.221CC..  trans-111.1130.2173.2-55.2-58.1178.6158.7-0.9109.9L149 I156 D157 F159 I177 A178 F181 S211L149-R183 HydrophobicContact CD2-CG 4.12Å; I156-R183 WeakPolarHBondContact O-CD 3.43Å; I156-R183 PolarHBondContact O-NE 3.13Å; I156-R183 PolarHBondContact O-NH1 2.93Å; D157-R183 IonicContact OD1-NH1 3.8Å; F159-R183 HydrophobicContact CD2-CB 4.24Å; F159-R183 HydrophobicContact CE2-CB 4.11Å; F159-R183 HydrophobicContact CE2-CG 4.36Å; I177-R183 HydrophobicContact CG2-CB 3.86Å; I177-R183 PolarHBondContact O-N 3.39Å; I177-R183 VanDerWaalsContact O-N 3.11Å; A178-R183 WeakPolarHBondContact CA-O 3.25Å; F181-R183 HydrophobicContact CB-CG 4.25Å; F181-R183 WeakPolarHBondContact O-CG 3.44Å; F181-R183 PolarHBondContact O-N 3.19Å; R183-S211 PolarHBondContact N-OG 2.96Å
184P98.2Very high97.1Very high0 Ų041.3 Ų41.30%021%0.209CC..  trans-67.9144.2173.530.4-36000110.1D157 A158 F159 L202 Q205 K206 S211D157-P184 WeakPolarHBondContact O-CD 3.04Å; A158-P184 WeakPolarHBondContact CA-O 3.46Å; A158-P184 HydrophobicContact CB-CG 3.76Å; F159-P184 PolarHBondContact N-O 3.5Å; P184-L202 HydrophobicContact CB-CD2 3.9Å; P184-L202 HydrophobicContact CG-CD2 4.26Å; P184-Q205 HydrophobicContact CB-CB 3.81Å; P184-Q205 HydrophobicContact CB-CG 4.38Å; P184-Q205 HydrophobicContact CG-CB 4.49Å; P184-K206 HydrophobicContact CG-CD 4.38Å; P184-K206 HydrophobicContact CG-CG 4.26Å; P184-S211 WeakPolarHBondContact CD-OG 3.01Å
185L98.4Very high97Very high0 Ų041.3 Ų41.30%021%0.21CC..EExtended strand (participates in β ladder)trans-137.9134.1179.1179.9148.7000110.1F159 A161 Y174 I177 V187 K212 V213 E214F159-L185 HydrophobicContact CB-CB 4.22Å; F159-L185 HydrophobicContact CB-CD1 3.79Å; F159-L185 HydrophobicContact CB-CG 3.94Å; F159-L185 HydrophobicContact CG-CD1 4.43Å; F159-L185 WeakPolarHBondContact O-CA 3.48Å; A161-L185 HydrophobicContact CB-CD1 4.08Å; A161-L185 HydrophobicContact CB-CD2 3.72Å; A161-L185 HydrophobicContact CB-CG 3.96Å; Y174-L185 HydrophobicContact CD1-CD1 3.94Å; Y174-L185 HydrophobicContact CD2-CD2 4.1Å; Y174-L185 HydrophobicContact CG-CD1 3.91Å; Y174-L185 HydrophobicContact CG-CD2 3.96Å; I177-L185 HydrophobicContact CB-CD1 4.41Å; I177-L185 HydrophobicContact CD1-CD1 3.54Å; I177-L185 HydrophobicContact CG1-CD1 4.5Å; I177-L185 HydrophobicContact CG2-CD1 4.34Å; L185-V187 HydrophobicContact CD2-CG2 4.15Å; L185-K212 PolarHBondContact N-O 3.04Å; L185-V213 HydrophobicContact CB-CG2 4.39Å; L185-V213 HydrophobicContact CD2-CB 4.42Å; L185-V213 HydrophobicContact CD2-CG1 3.77Å; L185-V213 HydrophobicContact CD2-CG2 4.22Å; L185-V213 CarbonylContact O-C 3.56Å; L185-V213 WeakPolarHBondContact O-CA 3.48Å; L185-E214 PolarHBondContact O-N 2.78Å
186V98.7Very high97Very high0 Ų040.4 Ų40.40%020%0.204CC..EExtended strand (participates in β ladder)trans-126.6124.6175175.90000109.3F159 L160 A161 M201 L202 E214 Q216F159-V186 PolarHBondContact O-N 3.43Å; L160-V186 CarbonylContact C-O 3.53Å; L160-V186 WeakPolarHBondContact CA-O 3.36Å; L160-V186 HydrophobicContact CD2-CB 4.36Å; A161-V186 PolarHBondContact N-O 3.08Å; V186-M201 HydrophobicContact CG1-CE 4.19Å; V186-M201 HydrophobicContact CG1-SD 4.21Å; V186-M201 HydrophobicContact CG2-CB 3.79Å; V186-M201 HydrophobicContact CG2-CE 4.35Å; V186-L202 HydrophobicContact CB-CD2 4.03Å; V186-L202 HydrophobicContact CB-CG 4.09Å; V186-L202 HydrophobicContact CG2-CD2 3.5Å; V186-L202 HydrophobicContact CG2-CG 3.69Å; V186-E214 CarbonylContact C-O 3.5Å; V186-E214 VanDerWaalsContact CA-O 3.31Å; V186-E214 WeakPolarHBondContact CA-O 3.32Å; V186-E214 HydrophobicContact CG2-CB 4.17Å; V186-Q216 HydrophobicContact CG1-CB 3.63Å
187V98.6Very high97.1Very high0 Ų044.4 Ų44.40%022%0.223CC..EExtended strand (participates in β ladder)trans-78.2121.3168.8177.50000108.9A161 T171 Y174 L185 E214 Q216 Y217 V221A161-V187 HydrophobicContact CB-CG2 3.83Å; T171-V187 HydrophobicContact CG2-CB 4.47Å; T171-V187 HydrophobicContact CG2-CG2 3.93Å; Y174-V187 HydrophobicContact CD2-CG2 4.19Å; Y174-V187 HydrophobicContact CE2-CG2 4Å; L185-V187 HydrophobicContact CD2-CG2 4.15Å; V187-E214 PolarHBondContact N-O 2.81Å; V187-Q216 WeakPolarHBondContact O-CA 3.23Å; V187-Q216 WeakPolarHBondContact O-CB 3.37Å; V187-Q216 PolarHBondContact O-N 3.16Å; V187-Y217 PolarHBondContact O-N 3.41Å; V187-V221 HydrophobicContact CG1-CG1 4.32Å; V187-V221 HydrophobicContact CG1-CG2 4.07Å
188A98.2Very high97.1Very high0 Ų044.4 Ų44.40%022%0.223CC..EExtended strand (participates in β ladder)trans-129.2153.6-175.800000112.8H7 L160 A161 G163H7-A188 PolarHBondContact NE2-O 2.98Å; H7-A188 VanDerWaalsContact NE2-O 3.1Å; L160-A188 HydrophobicContact CD2-CB 4.16Å; A161-A188 PolarHBondContact O-N 3.36Å; G163-A188 WeakPolarHBondContact CA-O 3.49Å; G163-A188 PolarHBondContact N-O 3.23Å; G163-A188 VanDerWaalsContact N-O 3.09Å
189G96.9Very high97.1Very high1 Ų144.4 Ų44.41%0.0122%0.222CC..  trans-71.6-171.9166.600000112.6H7 D194H7-G189 PolarHBondContact CD2-O 3.17Å; H7-G189 VanDerWaalsContact CD2-O 3.22Å; H7-G189 PolarHBondContact NE2-O 3.09Å; G189-D194 WeakPolarHBondContact CA-OD2 3.47Å
190F93.4Very high97.2Very high85 Ų8544.8 Ų44.837%0.37322%0.221SC..SBendtrans-108.8-6.3-179.157.7-94.8000113.3A10 H164A10-F190 WeakPolarHBondContact CB-O 3.49Å; H164-F190 AromaticContact CE1-CD1 3.77Å; H164-F190 AromaticContact CE1-CE1 3.51Å; H164-F190 AromaticContact NE2-CE1 3.79Å
191E95.9Very high97.3Very high94 Ų9441.6 Ų41.644%0.43920%0.204SC..SBendtrans-68.3146.9173.6-66.5-63.9152.600109.7L193 D194 L195E191-L193 PolarHBondContact O-N 3.04Å; E191-L193 VanDerWaalsContact O-N 3.12Å; E191-D194 WeakPolarHBondContact O-CB 3.25Å; E191-D194 PolarHBondContact O-N 2.9Å; E191-L195 PolarHBondContact O-N 3.17Å; E191-L195 VanDerWaalsContact O-N 3.11Å
192P95.5Very high97.4Very high30 Ų3040 Ų4020%0.19520%0.198CC..Hα-helixtrans-51-41.1-178.7-30.435.8000114.1F14 L16 L195 L196F14-P192 HydrophobicContact CB-CG 4.33Å; F14-P192 HydrophobicContact CD1-CG 3.97Å; F14-P192 HydrophobicContact CD2-CG 3.51Å; F14-P192 HydrophobicContact CE1-CG 4.07Å; F14-P192 HydrophobicContact CE2-CG 3.63Å; F14-P192 HydrophobicContact CG-CG 3.69Å; F14-P192 HydrophobicContact CZ-CG 3.91Å; L16-P192 HydrophobicContact CD2-CB 4.33Å; P192-L195 PolarHBondContact O-N 3.33Å; P192-L196 WeakPolarHBondContact O-CB 3.41Å; P192-L196 VanDerWaalsContact O-CG 3.31Å; P192-L196 WeakPolarHBondContact O-CG 3.36Å; P192-L196 PolarHBondContact O-N 3.35Å
193L96.4Very high97.4Very high138 Ų13836.3 Ų36.372%0.72318%0.184SC*.Hα-helixtrans-69.8-32.9179.1-66.7178.9000112.6E191 Q197E191-L193 PolarHBondContact O-N 3.04Å; E191-L193 VanDerWaalsContact O-N 3.12Å; L193-Q197 VanDerWaalsContact O-CB 3.22Å; L193-Q197 WeakPolarHBondContact O-CB 3.42Å; L193-Q197 PolarHBondContact O-N 3.34Å
194D97.6Very high97.5Very high8 Ų838.9 Ų38.94%0.04320%0.199CC..Hα-helixtrans-65.7-44.8175.3-67.7-35.7000111.2G189 E191 G198 Q216 R219G189-D194 WeakPolarHBondContact CA-OD2 3.47Å; E191-D194 WeakPolarHBondContact O-CB 3.25Å; E191-D194 PolarHBondContact O-N 2.9Å; D194-G198 PolarHBondContact O-N 2.76Å; D194-Q216 PolarHBondContact OD1-NE2 3.11Å; D194-R219 VanDerWaalsContact CG-NH2 3.28Å; D194-R219 IonicContact OD1-CZ 3.96Å; D194-R219 IonicContact OD1-NH1 2.72Å; D194-R219 PolarHBondContact OD1-NH1 3.49Å; D194-R219 IonicContact OD1-NH2 2.72Å; D194-R219 PolarHBondContact OD1-NH2 2.67Å; D194-R219 VanDerWaalsContact OD1-NH2 3.13Å; D194-R219 IonicContact OD2-CZ 3.95Å; D194-R219 IonicContact OD2-NH1 3.9Å; D194-R219 IonicContact OD2-NH2 3.19Å; D194-R219 PolarHBondContact OD2-NH2 2.99Å
195L97.6Very high97.5Very high1 Ų138.9 Ų38.91%0.00520%0.199CC..Hα-helixtrans-63.5-50.3178.4-70.2170.1000111.2H7 A10 I11 L16 L160 E191 P192 Q197 G198 V199H7-L195 HydrophobicContact CB-CD2 3.99Å; H7-L195 VanDerWaalsContact CD2-CD2 3.5Å; H7-L195 WeakPolarHBondContact CD2-CD2 3.33Å; A10-L195 HydrophobicContact CB-CD1 3.64Å; I11-L195 HydrophobicContact CG1-CD1 4.19Å; L16-L195 HydrophobicContact CD1-CB 3.88Å; L16-L195 HydrophobicContact CD1-CD1 3.78Å; L160-L195 HydrophobicContact CD1-CD2 4.41Å; E191-L195 PolarHBondContact O-N 3.17Å; E191-L195 VanDerWaalsContact O-N 3.11Å; P192-L195 PolarHBondContact O-N 3.33Å; L195-Q197 PolarHBondContact O-N 2.94Å; L195-G198 PolarHBondContact O-N 3.02Å; L195-V199 WeakPolarHBondContact O-CG2 3.41Å; L195-V199 PolarHBondContact O-N 3.23Å
196L97.4Very high97.4Very high53 Ų5342.9 Ų42.928%0.27722%0.216SC..Hα-helixtrans-62.7-42.8179.5-71.6172.7000112L16 L20 P192 G198 V199 V200L16-L196 HydrophobicContact CD2-CD1 4.25Å; L16-L196 HydrophobicContact CD2-CD2 4.39Å; L16-L196 HydrophobicContact CD2-CG 4.3Å; L20-L196 HydrophobicContact CD2-CD2 4.03Å; L20-L196 HydrophobicContact CG-CD2 4.48Å; P192-L196 WeakPolarHBondContact O-CB 3.41Å; P192-L196 VanDerWaalsContact O-CG 3.31Å; P192-L196 WeakPolarHBondContact O-CG 3.36Å; P192-L196 PolarHBondContact O-N 3.35Å; L196-G198 VanDerWaalsContact C-N 3.33Å; L196-G198 PolarHBondContact O-N 3.38Å; L196-V199 PolarHBondContact O-N 2.66Å; L196-V200 WeakPolarHBondContact O-CG2 3.49Å; L196-V200 PolarHBondContact O-N 2.78Å
197Q97.9Very high97.3Very high105 Ų10549.5 Ų49.549%0.49125%0.251SS..Hα-helixtrans-63.8-40.9175-173178.823.200111.2L193 L195 V199 V200 M201 Q216L193-Q197 VanDerWaalsContact O-CB 3.22Å; L193-Q197 WeakPolarHBondContact O-CB 3.42Å; L193-Q197 PolarHBondContact O-N 3.34Å; L195-Q197 PolarHBondContact O-N 2.94Å; Q197-V199 VanDerWaalsContact C-N 3.32Å; Q197-V199 PolarHBondContact O-N 2.81Å; Q197-V200 PolarHBondContact O-N 2.97Å; Q197-M201 HydrophobicContact CG-SD 4.27Å; Q197-M201 VanDerWaalsContact O-CG 3.3Å; Q197-M201 WeakPolarHBondContact O-CG 3.07Å; Q197-M201 PolarHBondContact O-N 3.41Å; Q197-Q216 HydrophobicContact CB-CG 4.05Å; Q197-Q216 HydrophobicContact CG-CG 3.93Å
198G98.2Very high97.3Very high0 Ų052.5 Ų52.50%028%0.275CS..Hα-helixtrans-60.1-41.717500000112.5D194 L195 L196 M201 L202D194-G198 PolarHBondContact O-N 2.76Å; L195-G198 PolarHBondContact O-N 3.02Å; L196-G198 VanDerWaalsContact C-N 3.33Å; L196-G198 PolarHBondContact O-N 3.38Å; G198-M201 PolarHBondContact O-N 3.18Å; G198-L202 WeakPolarHBondContact O-CG 3.36Å; G198-L202 PolarHBondContact O-N 3.5Å
199V97.9Very high97.2Very high12 Ų1257.1 Ų57.17%0.07331%0.314CS..Hα-helixtrans-63.1-45.7174.1172.60000111.4L20 V24 F26 L160 L195 L196 Q197 M201 L202 V203L20-V199 HydrophobicContact CD1-CG1 4Å; L20-V199 HydrophobicContact CD1-CG2 4.46Å; V24-V199 HydrophobicContact CG1-CG1 4.12Å; F26-V199 HydrophobicContact CE1-CG2 3.74Å; F26-V199 HydrophobicContact CZ-CG2 3.83Å; L160-V199 HydrophobicContact CD1-CG2 4.06Å; L195-V199 WeakPolarHBondContact O-CG2 3.41Å; L195-V199 PolarHBondContact O-N 3.23Å; L196-V199 PolarHBondContact O-N 2.66Å; Q197-V199 VanDerWaalsContact C-N 3.32Å; Q197-V199 PolarHBondContact O-N 2.81Å; V199-M201 VanDerWaalsContact C-N 3.31Å; V199-M201 PolarHBondContact O-N 3.02Å; V199-L202 PolarHBondContact O-N 3.42Å; V199-L202 VanDerWaalsContact O-N 3.16Å; V199-V203 HydrophobicContact CG1-CG2 4.17Å; V199-V203 WeakPolarHBondContact O-CG2 3.38Å; V199-V203 PolarHBondContact O-N 2.99Å
200V97.9Very high97.2Very high76 Ų7660.8 Ų60.846%0.46133%0.33SS..Hα-helixtrans-56.1-47.4176.4169.20000110.6L196 Q197 L202 V203 E204L196-V200 WeakPolarHBondContact O-CG2 3.49Å; L196-V200 PolarHBondContact O-N 2.78Å; Q197-V200 PolarHBondContact O-N 2.97Å; V200-L202 VanDerWaalsContact C-N 3.33Å; V200-L202 PolarHBondContact O-N 3.09Å; V200-V203 PolarHBondContact O-N 3.36Å; V200-E204 HydrophobicContact CG1-CG 4.35Å; V200-E204 WeakPolarHBondContact O-CG 3.49Å; V200-E204 PolarHBondContact O-N 2.66Å
201M98.5Very high97.4Very high24 Ų2458.6 Ų58.612%0.11833%0.326CS..Hα-helixtrans-59.9-41.7177.9-68.1169.666.300112.1V186 Q197 G198 V199 Q205 E214 Q216V186-M201 HydrophobicContact CG1-CE 4.19Å; V186-M201 HydrophobicContact CG1-SD 4.21Å; V186-M201 HydrophobicContact CG2-CB 3.79Å; V186-M201 HydrophobicContact CG2-CE 4.35Å; Q197-M201 HydrophobicContact CG-SD 4.27Å; Q197-M201 VanDerWaalsContact O-CG 3.3Å; Q197-M201 WeakPolarHBondContact O-CG 3.07Å; Q197-M201 PolarHBondContact O-N 3.41Å; G198-M201 PolarHBondContact O-N 3.18Å; V199-M201 VanDerWaalsContact C-N 3.31Å; V199-M201 PolarHBondContact O-N 3.02Å; M201-Q205 WeakPolarHBondContact O-CG 3.31Å; M201-Q205 PolarHBondContact O-N 3.35Å; M201-E214 HydrophobicContact CE-CB 3.46Å; M201-E214 VanDerWaalsContact CE-CB 3.46Å; M201-E214 HydrophobicContact CE-CG 4.17Å; M201-Q216 HydrophobicContact CE-CB 4.36Å; M201-Q216 HydrophobicContact SD-CB 3.71Å; M201-Q216 HydrophobicContact SD-CG 3.93Å
202L98.4Very high97.5Very high16 Ų1658 Ų588%0.08432%0.322CS..Hα-helixtrans-65.4-41.3175.6-69.9174.3000112.6A158 L160 P184 V186 G198 V199 V200 Q205 K206A158-L202 HydrophobicContact CB-CB 4.43Å; A158-L202 HydrophobicContact CB-CD1 4.13Å; A158-L202 HydrophobicContact CB-CD2 4.09Å; A158-L202 HydrophobicContact CB-CG 4.45Å; L160-L202 HydrophobicContact CD2-CD1 3.68Å; L160-L202 HydrophobicContact CG-CD1 3.76Å; P184-L202 HydrophobicContact CB-CD2 3.9Å; P184-L202 HydrophobicContact CG-CD2 4.26Å; V186-L202 HydrophobicContact CB-CD2 4.03Å; V186-L202 HydrophobicContact CB-CG 4.09Å; V186-L202 HydrophobicContact CG2-CD2 3.5Å; V186-L202 HydrophobicContact CG2-CG 3.69Å; G198-L202 WeakPolarHBondContact O-CG 3.36Å; G198-L202 PolarHBondContact O-N 3.5Å; V199-L202 PolarHBondContact O-N 3.42Å; V199-L202 VanDerWaalsContact O-N 3.16Å; V200-L202 VanDerWaalsContact C-N 3.33Å; V200-L202 PolarHBondContact O-N 3.09Å; L202-Q205 WeakPolarHBondContact O-CB 3.43Å; L202-Q205 PolarHBondContact O-N 2.94Å; L202-K206 PolarHBondContact O-N 3.36Å
203V97.5Very high97.7Very high57 Ų5757.9 Ų57.935%0.34532%0.32SS..Hα-helixtrans-65.7-44.4178.2170.10000110.7V24 V199 V200 Q205 K206 I207V24-V203 HydrophobicContact CG2-CG2 4.48Å; V199-V203 HydrophobicContact CG1-CG2 4.17Å; V199-V203 WeakPolarHBondContact O-CG2 3.38Å; V199-V203 PolarHBondContact O-N 2.99Å; V200-V203 PolarHBondContact O-N 3.36Å; V203-Q205 VanDerWaalsContact C-N 3.28Å; V203-Q205 PolarHBondContact O-N 2.82Å; V203-K206 PolarHBondContact O-N 2.93Å; V203-I207 HydrophobicContact CG1-CD1 3.75Å; V203-I207 HydrophobicContact CG1-CG1 4.34Å; V203-I207 WeakPolarHBondContact O-CG1 3.49Å; V203-I207 PolarHBondContact O-N 3.12Å
204E98.1Very high97.7Very high116 Ų11653 Ų5354%0.54229%0.293SS..Hα-helixtrans-58.3-41.6174.3-73.5177.316300111.4V200 I207 A208V200-E204 HydrophobicContact CG1-CG 4.35Å; V200-E204 WeakPolarHBondContact O-CG 3.49Å; V200-E204 PolarHBondContact O-N 2.66Å; E204-I207 PolarHBondContact O-N 2.92Å; E204-A208 WeakPolarHBondContact O-CB 3.38Å; E204-A208 PolarHBondContact O-N 3.46Å
205Q98.3Very high97.8Very high1 Ų152.9 Ų52.91%0.00529%0.293CS..Hα-helixtrans-60.7-45.9174.5-76.2-16954.400113P184 M201 L202 V203 A208 A209 H210 K212 E214P184-Q205 HydrophobicContact CB-CB 3.81Å; P184-Q205 HydrophobicContact CB-CG 4.38Å; P184-Q205 HydrophobicContact CG-CB 4.49Å; M201-Q205 WeakPolarHBondContact O-CG 3.31Å; M201-Q205 PolarHBondContact O-N 3.35Å; L202-Q205 WeakPolarHBondContact O-CB 3.43Å; L202-Q205 PolarHBondContact O-N 2.94Å; V203-Q205 VanDerWaalsContact C-N 3.28Å; V203-Q205 PolarHBondContact O-N 2.82Å; Q205-A208 CarbonylContact O-C 3.46Å; Q205-A208 PolarHBondContact O-N 3.48Å; Q205-A209 PolarHBondContact O-N 2.67Å; Q205-A209 VanDerWaalsContact O-N 3.11Å; Q205-H210 CarbonylContact C-O 3.46Å; Q205-H210 VanDerWaalsContact CA-CE1 3.44Å; Q205-H210 WeakPolarHBondContact CA-CE1 3.44Å; Q205-H210 PolarHBondContact O-N 2.64Å; Q205-H210 VanDerWaalsContact O-N 3.14Å; Q205-H210 PolarHBondContact O-ND1 3.48Å; Q205-H210 VanDerWaalsContact O-ND1 3.12Å; Q205-H210 VanDerWaalsContact O-O 3.13Å; Q205-K212 HydrophobicContact CG-CG 4.18Å; Q205-K212 PolarHBondContact NE2-O 3.37Å; Q205-K212 PolarHBondContact OE1-O 2.91Å; Q205-K212 VanDerWaalsContact OE1-O 3.04Å; Q205-E214 PolarHBondContact NE2-OE2 3.23Å
206K96.6Very high97.8Very high83 Ų8353.8 Ų53.836%0.36130%0.297SS..Hα-helixtrans-62.3-44.7176.7-77.8-72.4-177.8169.70112.8D157 P184 L202 V203 A208 A209D157-K206 WeakPolarHBondContact O-CE 3.38Å; D157-K206 PolarHBondContact O-NZ 3.29Å; D157-K206 IonicContact OD1-NZ 2.91Å; D157-K206 PolarHBondContact OD1-NZ 2.87Å; P184-K206 HydrophobicContact CG-CD 4.38Å; P184-K206 HydrophobicContact CG-CG 4.26Å; L202-K206 PolarHBondContact O-N 3.36Å; V203-K206 PolarHBondContact O-N 2.93Å; K206-A208 VanDerWaalsContact C-N 3.29Å; K206-A208 PolarHBondContact O-N 3.16Å; K206-A209 PolarHBondContact O-N 3.36Å; K206-A209 VanDerWaalsContact O-N 3.08Å
207I97.3Very high97.8Very high140 Ų14052 Ų5272%0.71829%0.287SS*.Hα-helixtrans-60.4-42.1177.4-69.8167.8000110.7V203 E204 A209V203-I207 HydrophobicContact CG1-CD1 3.75Å; V203-I207 HydrophobicContact CG1-CG1 4.34Å; V203-I207 WeakPolarHBondContact O-CG1 3.49Å; V203-I207 PolarHBondContact O-N 3.12Å; E204-I207 PolarHBondContact O-N 2.92Å; I207-A209 PolarHBondContact O-N 3.13Å
208A97.8Very high97.7Very high63 Ų6355.5 Ų55.552%0.52130%0.295SS..THydrogen-bonded Turntrans-82.17.1178.400000114E204 Q205 K206 H210E204-A208 WeakPolarHBondContact O-CB 3.38Å; E204-A208 PolarHBondContact O-N 3.46Å; Q205-A208 CarbonylContact O-C 3.46Å; Q205-A208 PolarHBondContact O-N 3.48Å; K206-A208 VanDerWaalsContact C-N 3.29Å; K206-A208 PolarHBondContact O-N 3.16Å; A208-H210 VanDerWaalsContact CB-CE1 3.49Å; A208-H210 WeakPolarHBondContact CB-CE1 3.43Å; A208-H210 VanDerWaalsContact CB-ND1 3.27Å; A208-H210 WeakPolarHBondContact CB-ND1 3.38Å; A208-H210 PolarHBondContact O-N 3.47Å; A208-H210 VanDerWaalsContact O-N 3.16Å
209A96.9Very high97.6Very high97 Ų9762.7 Ų62.780%0.80232%0.323SS*.THydrogen-bonded Turntrans5039.4178.200000114Q205 K206 I207Q205-A209 PolarHBondContact O-N 2.67Å; Q205-A209 VanDerWaalsContact O-N 3.11Å; K206-A209 PolarHBondContact O-N 3.36Å; K206-A209 VanDerWaalsContact O-N 3.08Å; I207-A209 PolarHBondContact O-N 3.13Å
210H96.2Very high97.6Very high77 Ų7764.7 Ų64.736%0.35634%0.335SS..  trans-130.8155.2178.373.3-56.1000110.8Q205 A208 K212Q205-H210 CarbonylContact C-O 3.46Å; Q205-H210 VanDerWaalsContact CA-CE1 3.44Å; Q205-H210 WeakPolarHBondContact CA-CE1 3.44Å; Q205-H210 PolarHBondContact O-N 2.64Å; Q205-H210 VanDerWaalsContact O-N 3.14Å; Q205-H210 PolarHBondContact O-ND1 3.48Å; Q205-H210 VanDerWaalsContact O-ND1 3.12Å; Q205-H210 VanDerWaalsContact O-O 3.13Å; A208-H210 VanDerWaalsContact CB-CE1 3.49Å; A208-H210 WeakPolarHBondContact CB-CE1 3.43Å; A208-H210 VanDerWaalsContact CB-ND1 3.27Å; A208-H210 WeakPolarHBondContact CB-ND1 3.38Å; A208-H210 PolarHBondContact O-N 3.47Å; A208-H210 VanDerWaalsContact O-N 3.16Å; H210-K212 WeakPolarHBondContact NE2-CE 3.33Å
211S98Very high97.6Very high40 Ų4061.1 Ų61.128%0.2831%0.313SS..  trans-127.5123.7178.7-660000109.9H182 R183 P184H182-S211 PolarHBondContact O-OG 2.86Å; R183-S211 PolarHBondContact N-OG 2.96Å; P184-S211 WeakPolarHBondContact CD-OG 3.01Å
212K98.1Very high97.5Very high82 Ų8262.9 Ų62.936%0.35733%0.326SS..  trans-141.7154.5173.652.5168.4169163.90109.7L185 Q205 H210 E214L185-K212 PolarHBondContact N-O 3.04Å; Q205-K212 HydrophobicContact CG-CG 4.18Å; Q205-K212 PolarHBondContact NE2-O 3.37Å; Q205-K212 PolarHBondContact OE1-O 2.91Å; Q205-K212 VanDerWaalsContact OE1-O 3.04Å; H210-K212 WeakPolarHBondContact NE2-CE 3.33Å; K212-E214 HydrophobicContact CD-CG 3.6Å; K212-E214 WeakPolarHBondContact CE-OE1 3.45Å; K212-E214 WeakPolarHBondContact CE-OE2 3.48Å; K212-E214 HydrophobicContact CG-CG 3.87Å; K212-E214 IonicContact NZ-OE1 2.71Å; K212-E214 PolarHBondContact NZ-OE1 3.45Å; K212-E214 IonicContact NZ-OE2 3.29Å; K212-E214 PolarHBondContact NZ-OE2 3.27Å
213V98.4Very high97.4Very high27 Ų2766.3 Ų66.316%0.16435%0.345CS..EExtended strand (participates in β ladder)trans-79.5125.2164.41760000107.8A178 L185A178-V213 HydrophobicContact CB-CG2 4.29Å; L185-V213 HydrophobicContact CB-CG2 4.39Å; L185-V213 HydrophobicContact CD2-CB 4.42Å; L185-V213 HydrophobicContact CD2-CG1 3.77Å; L185-V213 HydrophobicContact CD2-CG2 4.22Å; L185-V213 CarbonylContact O-C 3.56Å; L185-V213 WeakPolarHBondContact O-CA 3.48Å
214E98.3Very high97.3Very high34 Ų3466.3 Ų66.316%0.15935%0.351CS..EExtended strand (participates in β ladder)trans-123.5151.5172.2-64.9-170.797.900112L185 V186 V187 M201 Q205 K212L185-E214 PolarHBondContact O-N 2.78Å; V186-E214 CarbonylContact C-O 3.5Å; V186-E214 VanDerWaalsContact CA-O 3.31Å; V186-E214 WeakPolarHBondContact CA-O 3.32Å; V186-E214 HydrophobicContact CG2-CB 4.17Å; V187-E214 PolarHBondContact N-O 2.81Å; M201-E214 HydrophobicContact CE-CB 3.46Å; M201-E214 VanDerWaalsContact CE-CB 3.46Å; M201-E214 HydrophobicContact CE-CG 4.17Å; Q205-E214 PolarHBondContact NE2-OE2 3.23Å; K212-E214 HydrophobicContact CD-CG 3.6Å; K212-E214 WeakPolarHBondContact CE-OE1 3.45Å; K212-E214 WeakPolarHBondContact CE-OE2 3.48Å; K212-E214 HydrophobicContact CG-CG 3.87Å; K212-E214 IonicContact NZ-OE1 2.71Å; K212-E214 PolarHBondContact NZ-OE1 3.45Å; K212-E214 IonicContact NZ-OE2 3.29Å; K212-E214 PolarHBondContact NZ-OE2 3.27Å
215N98.4Very high97.3Very high7 Ų761.1 Ų61.14%0.03733%0.328CS..EExtended strand (participates in β ladder)trans-108.1102.7177.8-169.7-7.6000108.4T171 Y217 R218 V221 D223T171-N215 HydrophobicContact CG2-CB 4.01Å; N215-Y217 VanDerWaalsContact OD1-C 3.26Å; N215-Y217 PolarHBondContact OD1-N 3.33Å; N215-R218 HydrophobicContact CB-CG 3.94Å; N215-R218 WeakPolarHBondContact O-CG 3.16Å; N215-R218 PolarHBondContact O-NE 2.82Å; N215-R218 VanDerWaalsContact O-NE 3.07Å; N215-R218 PolarHBondContact OD1-N 3.36Å; N215-V221 PolarHBondContact ND2-O 3.34Å; N215-D223 PolarHBondContact ND2-OD1 3.41Å
216Q98.2Very high97.3Very high19 Ų1964 Ų649%0.08934%0.344CS..SBendtrans-78.2-35169.5-177.9-79.7-27.600109.7V186 V187 D194 Q197 M201 R218V186-Q216 HydrophobicContact CG1-CB 3.63Å; V187-Q216 WeakPolarHBondContact O-CA 3.23Å; V187-Q216 WeakPolarHBondContact O-CB 3.37Å; V187-Q216 PolarHBondContact O-N 3.16Å; D194-Q216 PolarHBondContact OD1-NE2 3.11Å; Q197-Q216 HydrophobicContact CB-CG 4.05Å; Q197-Q216 HydrophobicContact CG-CG 3.93Å; M201-Q216 HydrophobicContact CE-CB 4.36Å; M201-Q216 HydrophobicContact SD-CB 3.71Å; M201-Q216 HydrophobicContact SD-CG 3.93Å; Q216-R218 VanDerWaalsContact C-N 3.26Å; Q216-R218 PolarHBondContact O-N 3.29Å; Q216-R218 VanDerWaalsContact O-N 3.13Å
217Y97.5Very high97.4Very high16 Ų1664.9 Ų64.96%0.06335%0.352CS..  trans-88.535.3-173.7-158.6-161.3000114.5V187 N215 R219 V220 V221V187-Y217 PolarHBondContact O-N 3.41Å; N215-Y217 VanDerWaalsContact OD1-C 3.26Å; N215-Y217 PolarHBondContact OD1-N 3.33Å; Y217-R219 HydrophobicContact CD2-CG 3.91Å; Y217-R219 HydrophobicContact CE2-CG 4.01Å; Y217-R219 VanDerWaalsContact CE2-NH2 3.31Å; Y217-R219 PolarHBondContact O-N 3.35Å; Y217-V220 HydrophobicContact CD1-CB 4.22Å; Y217-V220 HydrophobicContact CD1-CG1 4.48Å; Y217-V220 HydrophobicContact CD2-CB 4.12Å; Y217-V220 HydrophobicContact CD2-CG2 4.34Å; Y217-V220 HydrophobicContact CE1-CB 3.92Å; Y217-V220 HydrophobicContact CE1-CG1 3.97Å; Y217-V220 HydrophobicContact CE1-CG2 4.36Å; Y217-V220 HydrophobicContact CE2-CB 3.76Å; Y217-V220 HydrophobicContact CE2-CG2 3.59Å; Y217-V220 HydrophobicContact CG-CB 4.34Å; Y217-V220 PolarHBondContact O-N 2.78Å; Y217-V221 HydrophobicContact CD1-CG2 3.84Å; Y217-V221 HydrophobicContact CG-CG2 4.26Å; Y217-V221 PolarHBondContact O-N 3.02Å
218R95.7Very high97.4Very high178 Ų17864.4 Ų64.467%0.67235%0.35SS*.THydrogen-bonded Turntrans-55.9-26.3-174.2-62.6-176.6-176.4-167.4-4.5114.8N215 Q216 V220N215-R218 HydrophobicContact CB-CG 3.94Å; N215-R218 WeakPolarHBondContact O-CG 3.16Å; N215-R218 PolarHBondContact O-NE 2.82Å; N215-R218 VanDerWaalsContact O-NE 3.07Å; N215-R218 PolarHBondContact OD1-N 3.36Å; Q216-R218 VanDerWaalsContact C-N 3.26Å; Q216-R218 PolarHBondContact O-N 3.29Å; Q216-R218 VanDerWaalsContact O-N 3.13Å; R218-V220 PolarHBondContact O-N 3.27Å
219R96.3Very high97.4Very high151 Ų15161.9 Ų61.957%0.5733%0.329SS*.THydrogen-bonded Turntrans-64.9-19177.763.2173.5-169.5-76.11.5113.4D194 Y217D194-R219 VanDerWaalsContact CG-NH2 3.28Å; D194-R219 IonicContact OD1-CZ 3.96Å; D194-R219 IonicContact OD1-NH1 2.72Å; D194-R219 PolarHBondContact OD1-NH1 3.49Å; D194-R219 IonicContact OD1-NH2 2.72Å; D194-R219 PolarHBondContact OD1-NH2 2.67Å; D194-R219 VanDerWaalsContact OD1-NH2 3.13Å; D194-R219 IonicContact OD2-CZ 3.95Å; D194-R219 IonicContact OD2-NH1 3.9Å; D194-R219 IonicContact OD2-NH2 3.19Å; D194-R219 PolarHBondContact OD2-NH2 2.99Å; Y217-R219 HydrophobicContact CD2-CG 3.91Å; Y217-R219 HydrophobicContact CE2-CG 4.01Å; Y217-R219 VanDerWaalsContact CE2-NH2 3.31Å; Y217-R219 PolarHBondContact O-N 3.35Å
220V96.7Very high97.5Very high54 Ų5460.2 Ų60.233%0.32731%0.305SS..THydrogen-bonded Turntrans-124.7-35.1-179.9169.70000111.8M167 Y217 R218 P222M167-V220 HydrophobicContact CG-CG1 4.44Å; M167-V220 HydrophobicContact SD-CG1 4.32Å; Y217-V220 HydrophobicContact CD1-CB 4.22Å; Y217-V220 HydrophobicContact CD1-CG1 4.48Å; Y217-V220 HydrophobicContact CD2-CB 4.12Å; Y217-V220 HydrophobicContact CD2-CG2 4.34Å; Y217-V220 HydrophobicContact CE1-CB 3.92Å; Y217-V220 HydrophobicContact CE1-CG1 3.97Å; Y217-V220 HydrophobicContact CE1-CG2 4.36Å; Y217-V220 HydrophobicContact CE2-CB 3.76Å; Y217-V220 HydrophobicContact CE2-CG2 3.59Å; Y217-V220 HydrophobicContact CG-CB 4.34Å; Y217-V220 PolarHBondContact O-N 2.78Å; R218-V220 PolarHBondContact O-N 3.27Å; V220-P222 WeakPolarHBondContact O-CD 3.33Å
221V97.9Very high97.6Very high2 Ų262.4 Ų62.41%0.01232%0.315CS..  trans-99108.5-174-179.20000110.8G163 T171 V187 N215 Y217G163-V221 WeakPolarHBondContact O-CG2 2.83Å; T171-V221 HydrophobicContact CG2-CG1 4Å; V187-V221 HydrophobicContact CG1-CG1 4.32Å; V187-V221 HydrophobicContact CG1-CG2 4.07Å; N215-V221 PolarHBondContact ND2-O 3.34Å; Y217-V221 HydrophobicContact CD1-CG2 3.84Å; Y217-V221 HydrophobicContact CG-CG2 4.26Å; Y217-V221 PolarHBondContact O-N 3.02Å
222P97.1Very high97.6Very high60 Ų6061 Ų6139%0.3931%0.306SS..  trans-73.7144.3165.330.5-33.6000110.7V220 A224 G225V220-P222 WeakPolarHBondContact O-CD 3.33Å; P222-A224 VanDerWaalsContact C-N 3.31Å; P222-A224 PolarHBondContact O-N 3.34Å; P222-G225 WeakPolarHBondContact CG-O 3.42Å; P222-G225 PolarHBondContact O-N 3.12Å
223D95.7Very high97.7Very high89 Ų8958.3 Ų58.348%0.47630%0.295SS..THydrogen-bonded Turntrans-61.9-37.2-175.1-62.3-17.7000112.7G170 T171 N215 G225G170-D223 CarbonylContact C-O 3.55Å; G170-D223 WeakPolarHBondContact CA-O 3.41Å; T171-D223 PolarHBondContact N-O 2.98Å; T171-D223 WeakPolarHBondContact OG1-CA 3.46Å; T171-D223 PolarHBondContact OG1-O 3.38Å; N215-D223 PolarHBondContact ND2-OD1 3.41Å; D223-G225 VanDerWaalsContact C-N 3.25Å; D223-G225 PolarHBondContact O-N 3.18Å
224A96.8Very high97.6Very high56 Ų5660.4 Ų60.446%0.46332%0.316SS..THydrogen-bonded Turntrans-78-5.517500000114.1P222 Q230P222-A224 VanDerWaalsContact C-N 3.31Å; P222-A224 PolarHBondContact O-N 3.34Å; A224-Q230 PolarHBondContact O-NE2 2.99Å
225G97.7Very high97.6Very high7 Ų762 Ų627%0.07233%0.325CS..  trans71.7-167.3-171.200000113M167 G170 P222 D223 L227M167-G225 CarbonylContact O-C 3.59Å; G170-G225 VanDerWaalsContact CA-CA 3.45Å; P222-G225 WeakPolarHBondContact CG-O 3.42Å; P222-G225 PolarHBondContact O-N 3.12Å; D223-G225 VanDerWaalsContact C-N 3.25Å; D223-G225 PolarHBondContact O-N 3.18Å; G225-L227 PolarHBondContact O-N 3.09Å
226N98Very high97.7Very high63 Ų6361.7 Ų61.734%0.33732%0.324SS..  trans-94.997.9-179.6-176.6-24.1000110.1M167 V168 L228 A229 Q230M167-N226 WeakPolarHBondContact O-CB 2.87Å; M167-N226 PolarHBondContact O-N 3.1Å; V168-N226 PolarHBondContact O-N 2.94Å; V168-N226 VanDerWaalsContact O-N 3.13Å; N226-L228 VanDerWaalsContact C-N 3.26Å; N226-L228 PolarHBondContact O-N 3.47Å; N226-L228 PolarHBondContact OD1-N 2.66Å; N226-L228 VanDerWaalsContact OD1-N 3.15Å; N226-A229 HydrophobicContact CB-CB 3.83Å; N226-A229 WeakPolarHBondContact O-CB 3.39Å; N226-A229 PolarHBondContact O-N 2.73Å; N226-A229 PolarHBondContact OD1-N 2.79Å; N226-Q230 WeakPolarHBondContact O-CG 2.85Å; N226-Q230 PolarHBondContact O-N 2.88Å
227L98Very high97.7Very high100 Ų10061.2 Ų61.252%0.52432%0.321SS..Hα-helixtrans-57.9-35.2-177.3-60-178.1000113.2G225 Q230 Q231G225-L227 PolarHBondContact O-N 3.09Å; L227-Q230 PolarHBondContact O-N 3.12Å; L227-Q231 WeakPolarHBondContact O-CB 3.48Å; L227-Q231 WeakPolarHBondContact O-CG 3.38Å; L227-Q231 PolarHBondContact O-N 2.82Å
228L98.2Very high97.6Very high131 Ų13162.2 Ų62.269%0.68633%0.33SS*.Hα-helixtrans-69.3-39.9177.3-66.4175.1000111.5N226 Q231 A232N226-L228 VanDerWaalsContact C-N 3.26Å; N226-L228 PolarHBondContact O-N 3.47Å; N226-L228 PolarHBondContact OD1-N 2.66Å; N226-L228 VanDerWaalsContact OD1-N 3.15Å; L228-Q231 PolarHBondContact O-N 2.95Å; L228-A232 PolarHBondContact O-N 3.28Å
229A98.2Very high97.5Very high10 Ų1057.1 Ų57.18%0.08332%0.319CS..Hα-helixtrans-65.8-43.7175.200000111.2P115 V168 N226 Q231 A232 I233P115-A229 HydrophobicContact CB-CB 3.97Å; P115-A229 HydrophobicContact CG-CB 3.81Å; V168-A229 HydrophobicContact CG1-CB 4.21Å; N226-A229 HydrophobicContact CB-CB 3.83Å; N226-A229 WeakPolarHBondContact O-CB 3.39Å; N226-A229 PolarHBondContact O-N 2.73Å; N226-A229 PolarHBondContact OD1-N 2.79Å; A229-Q231 VanDerWaalsContact C-N 3.33Å; A229-Q231 PolarHBondContact O-N 3.37Å; A229-A232 PolarHBondContact O-N 3.45Å; A229-I233 VanDerWaalsContact O-CG1 3.31Å; A229-I233 WeakPolarHBondContact O-CG1 3.32Å; A229-I233 PolarHBondContact O-N 3.28Å
230Q98.4Very high97Very high61 Ų6154.6 Ų54.629%0.28532%0.317SS..Hα-helixtrans-60.2-41.9175.4-68.2169.48.400111.8V168 A224 N226 L227 I233 A234V168-Q230 WeakPolarHBondContact O-CG 3.48Å; V168-Q230 PolarHBondContact O-NE2 2.87Å; A224-Q230 PolarHBondContact O-NE2 2.99Å; N226-Q230 WeakPolarHBondContact O-CG 2.85Å; N226-Q230 PolarHBondContact O-N 2.88Å; L227-Q230 PolarHBondContact O-N 3.12Å; Q230-I233 PolarHBondContact O-N 2.9Å; Q230-A234 WeakPolarHBondContact O-CB 3.27Å; Q230-A234 PolarHBondContact O-N 3.1Å
231Q98.4Very high96.5Very high124 Ų12454.1 Ų54.158%0.57932%0.322SS*.Hα-helixtrans-62.8-44.3175-75.9169.2100112.3L227 L228 A229 I233 A234 D235L227-Q231 WeakPolarHBondContact O-CB 3.48Å; L227-Q231 WeakPolarHBondContact O-CG 3.38Å; L227-Q231 PolarHBondContact O-N 2.82Å; L228-Q231 PolarHBondContact O-N 2.95Å; A229-Q231 VanDerWaalsContact C-N 3.33Å; A229-Q231 PolarHBondContact O-N 3.37Å; Q231-I233 VanDerWaalsContact C-N 3.33Å; Q231-I233 PolarHBondContact O-N 2.84Å; Q231-A234 PolarHBondContact O-N 3.4Å; Q231-D235 PolarHBondContact O-N 3.22Å
232A98.5Very high96.2Very high11 Ų1158.5 Ų58.59%0.09135%0.346CS..Hα-helixtrans-62.8-40.9176.400000111.9A118 I119 L228 A229 D235 V236A118-A232 HydrophobicContact CB-CB 4.25Å; A118-A232 WeakPolarHBondContact CB-O 3.33Å; I119-A232 HydrophobicContact CG1-CB 4.4Å; L228-A232 PolarHBondContact O-N 3.28Å; A229-A232 PolarHBondContact O-N 3.45Å; A232-D235 PolarHBondContact O-N 3.03Å; A232-V236 PolarHBondContact O-N 3.17Å
233I98.4Very high96Very high25 Ų2556.5 Ų56.513%0.12833%0.333CS..Hα-helixtrans-59.9-50.9173.4-67.9170.2000110M114 P115 V168 A229 Q230 Q231 D235 V236 F237M114-I233 HydrophobicContact CB-CD1 3.91Å; M114-I233 HydrophobicContact CB-CG1 3.77Å; M114-I233 HydrophobicContact SD-CD1 4.44Å; M114-I233 HydrophobicContact SD-CG2 4.25Å; P115-I233 HydrophobicContact CG-CD1 3.82Å; P115-I233 HydrophobicContact CG-CG1 4.08Å; V168-I233 HydrophobicContact CG1-CD1 3.71Å; A229-I233 VanDerWaalsContact O-CG1 3.31Å; A229-I233 WeakPolarHBondContact O-CG1 3.32Å; A229-I233 PolarHBondContact O-N 3.28Å; Q230-I233 PolarHBondContact O-N 2.9Å; Q231-I233 VanDerWaalsContact C-N 3.33Å; Q231-I233 PolarHBondContact O-N 2.84Å; I233-D235 VanDerWaalsContact C-N 3.26Å; I233-D235 PolarHBondContact O-N 3.39Å; I233-V236 PolarHBondContact O-N 3.35Å; I233-F237 HydrophobicContact CG2-CB 4.28Å; I233-F237 HydrophobicContact CG2-CD2 4.31Å; I233-F237 WeakPolarHBondContact O-CA 3.43Å; I233-F237 WeakPolarHBondContact O-CB 3.27Å; I233-F237 PolarHBondContact O-N 3.36Å
234A98Very high95.8Very high71 Ų7156.8 Ų56.859%0.58733%0.331SS*.Hα-helixtrans-64.4-27.7-175.900000114Q230 Q231Q230-A234 WeakPolarHBondContact O-CB 3.27Å; Q230-A234 PolarHBondContact O-N 3.1Å; Q231-A234 PolarHBondContact O-N 3.4Å
235D98.4Very high95.5Very high68 Ų6854.1 Ų54.136%0.36431%0.309SS..Hα-helixtrans-69.4-41.9174.6-179.149.2000111.9Q122 Q231 A232 I233 T259 Y262Q122-D235 PolarHBondContact NE2-OD2 2.8Å; Q231-D235 PolarHBondContact O-N 3.22Å; A232-D235 PolarHBondContact O-N 3.03Å; I233-D235 VanDerWaalsContact C-N 3.26Å; I233-D235 PolarHBondContact O-N 3.39Å; D235-T259 PolarHBondContact O-OG1 3.06Å; D235-Y262 WeakPolarHBondContact O-CE2 3.44Å; D235-Y262 PolarHBondContact OD2-OH 2.94Å
236V98.7Very high95.1Very high0 Ų054.2 Ų54.20%031%0.307CS..Hα-helixtrans-97.9-32.1-170.2-178.90000113.2A118 L121 Q122 A232 I233 L258 T259 Y262A118-V236 HydrophobicContact CB-CB 3.89Å; A118-V236 HydrophobicContact CB-CG1 4.42Å; A118-V236 HydrophobicContact CB-CG2 3.74Å; L121-V236 HydrophobicContact CB-CG1 4.02Å; L121-V236 HydrophobicContact CD1-CG1 3.51Å; L121-V236 HydrophobicContact CG-CG1 4.41Å; Q122-V236 HydrophobicContact CG-CG2 3.92Å; A232-V236 PolarHBondContact O-N 3.17Å; I233-V236 PolarHBondContact O-N 3.35Å; V236-L258 HydrophobicContact CG1-CD2 3.92Å; V236-L258 WeakPolarHBondContact O-CA 3.19Å; V236-T259 PolarHBondContact O-N 2.98Å; V236-T259 PolarHBondContact O-OG1 3.19Å; V236-Y262 HydrophobicContact CB-CD2 4.34Å; V236-Y262 HydrophobicContact CB-CE2 4.35Å; V236-Y262 HydrophobicContact CG1-CD1 4.26Å; V236-Y262 HydrophobicContact CG1-CD2 4.32Å; V236-Y262 HydrophobicContact CG1-CG 4.07Å; V236-Y262 HydrophobicContact CG2-CD1 4.36Å; V236-Y262 HydrophobicContact CG2-CD2 4.24Å; V236-Y262 HydrophobicContact CG2-CE1 3.98Å; V236-Y262 HydrophobicContact CG2-CE2 3.82Å; V236-Y262 HydrophobicContact CG2-CG 4.48Å
237F98.3Very high94.5Very high8 Ų852.8 Ų52.84%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-123.3145.9-171.4-58.4-63.3000112.2M114 T117 A118 L121 F134 I233 V256 H257 L258M114-F237 HydrophobicContact CB-CD2 4.21Å; M114-F237 HydrophobicContact CB-CE2 4.1Å; T117-F237 HydrophobicContact CG2-CZ 3.77Å; A118-F237 HydrophobicContact CB-CD2 4.28Å; A118-F237 HydrophobicContact CB-CE2 3.81Å; L121-F237 HydrophobicContact CD1-CE1 4.23Å; L121-F237 HydrophobicContact CD1-CZ 4.03Å; F134-F237 AromaticContact CE1-CE1 3.76Å; F134-F237 HydrophobicContact CE1-CE1 3.76Å; F134-F237 HydrophobicContact CE1-CZ 4.22Å; F134-F237 HydrophobicContact CZ-CE1 4.33Å; F134-F237 HydrophobicContact CZ-CZ 4.4Å; I233-F237 HydrophobicContact CG2-CB 4.28Å; I233-F237 HydrophobicContact CG2-CD2 4.31Å; I233-F237 WeakPolarHBondContact O-CA 3.43Å; I233-F237 WeakPolarHBondContact O-CB 3.27Å; I233-F237 PolarHBondContact O-N 3.36Å; F237-V256 HydrophobicContact CB-CG1 3.82Å; F237-V256 HydrophobicContact CD1-CG1 3.95Å; F237-V256 HydrophobicContact CG-CG1 4Å; F237-H257 CarbonylContact C-O 3.43Å; F237-H257 VanDerWaalsContact CA-O 3.24Å; F237-H257 WeakPolarHBondContact CA-O 3.21Å; F237-L258 HydrophobicContact CD1-CD2 4.01Å; F237-L258 HydrophobicContact CE1-CD2 3.65Å
238C96.5Very high94.1Very high37 Ų3750.2 Ų50.225%0.2529%0.294CS..EExtended strand (participates in β ladder)trans-124.2139.9165.758.80000109.9N240 H257 T259C238-N240 PolarHBondContact O-N 3.3Å; C238-H257 PolarHBondContact N-O 3.09Å; C238-H257 PolarHBondContact O-N 3.11Å; C238-T259 HydrophobicContact CB-CG2 4.32Å
239V92.8Very high93.7Very high72 Ų7245.7 Ų45.744%0.43628%0.279SS..EExtended strand (participates in β ladder)trans-88.7104.6173.1-1770000106.8T140 S253 G255 V256T140-V239 HydrophobicContact CG2-CG1 4.13Å; T140-V239 HydrophobicContact CG2-CG2 3.69Å; V239-S253 WeakPolarHBondContact CG1-O 3.42Å; V239-G255 WeakPolarHBondContact CA-O 3.37Å; V239-V256 HydrophobicContact CG2-CG2 4.4Å
240N85.8Confident93.4Very high98 Ų9849.8 Ų49.852%0.52430%0.303SS..  trans-143.6141.4-177.8-80.7-22.8000108.7C238 G255 H257C238-N240 PolarHBondContact O-N 3.3Å; N240-G255 PolarHBondContact N-O 3.48Å; N240-G255 VanDerWaalsContact N-O 3.09Å; N240-H257 PolarHBondContact O-CD2 2.93Å; N240-H257 PolarHBondContact O-NE2 3.25Å
241G87.9Confident93.1Very high43 Ų4347.1 Ų47.144%0.44329%0.291SS..SBendtrans70.1-168.9175.800000114.4S253 S254 G255G241-S253 CarbonylContact O-C 3.52Å; G241-S253 WeakPolarHBondContact O-CA 3.09Å; G241-S253 PolarHBondContact O-N 2.91Å; G241-S253 VanDerWaalsContact O-N 3.12Å; G241-S254 PolarHBondContact O-N 2.99Å; G241-G255 PolarHBondContact O-N 3.19Å
242D91.2Very high92.8Very high95 Ų9548.2 Ų48.251%0.50830%0.296SS..  trans-107.8152.7-168.1-43.9-31.7000110.1V250 E252 S253D242-V250 HydrophobicContact CB-CG1 3.46Å; D242-V250 VanDerWaalsContact CB-CG1 3.46Å; D242-E252 VanDerWaalsContact OD1-CA 3.29Å; D242-E252 WeakPolarHBondContact OD1-CA 3.36Å; D242-S253 PolarHBondContact OD1-N 3.33Å
243S91.6Very high92.4Very high17 Ų1751 Ų5112%0.11932%0.315CS..EExtended strand (participates in β ladder)trans-126.3144.9174.6-166.90000109.9W245 V250 I251 S254S243-W245 VanDerWaalsContact O-CD1 3.28Å; S243-V250 WeakPolarHBondContact O-CA 3.33Å; S243-I251 PolarHBondContact N-O 3.13Å; S243-I251 PolarHBondContact O-N 2.94Å; S243-S254 WeakPolarHBondContact CB-OG 3.47Å; S243-S254 PolarHBondContact N-OG 2.8Å
244E91.7Very high92.2Very high95 Ų9549.9 Ų49.944%0.44431%0.309SS..EExtended strand (participates in β ladder)trans-80.4134.3169.2-172.7-173.7-177.400109.7P38P38-E244 HydrophobicContact CB-CG 4.25Å; P38-E244 HydrophobicContact CG-CB 3.97Å; P38-E244 HydrophobicContact CG-CG 3.96Å; P38-E244 WeakPolarHBondContact CG-O 3.3Å
245W91.2Very high91.9Very high1 Ų146.6 Ų46.60%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-121.3122.1175.9-69.166.1000108.5V36 F110 I139 T140 T144 S243 G247 L248 G249 I251 S254V36-W245 HydrophobicContact CB-CE3 3.71Å; V36-W245 HydrophobicContact CB-CZ3 4.45Å; V36-W245 HydrophobicContact CG1-CE3 3.94Å; V36-W245 HydrophobicContact CG1-CZ3 4.47Å; V36-W245 HydrophobicContact CG2-CD2 4.43Å; V36-W245 HydrophobicContact CG2-CE3 3.56Å; V36-W245 HydrophobicContact CG2-CZ3 3.92Å; F110-W245 HydrophobicContact CD1-CH2 4.49Å; F110-W245 AromaticContact CE1-CH2 3.46Å; F110-W245 HydrophobicContact CE1-CH2 3.46Å; F110-W245 VanDerWaalsContact CE1-CH2 3.46Å; F110-W245 HydrophobicContact CE1-CZ2 4.46Å; F110-W245 AromaticContact CE1-CZ3 3.77Å; F110-W245 HydrophobicContact CE1-CZ3 3.77Å; F110-W245 HydrophobicContact CZ-CH2 4.12Å; F110-W245 AromaticContact CZ-CZ3 3.94Å; F110-W245 HydrophobicContact CZ-CZ3 3.94Å; I139-W245 HydrophobicContact CB-CH2 4.16Å; I139-W245 HydrophobicContact CB-CZ2 3.55Å; I139-W245 HydrophobicContact CD1-CD2 3.99Å; I139-W245 HydrophobicContact CD1-CE3 3.84Å; I139-W245 HydrophobicContact CD1-CH2 3.57Å; I139-W245 HydrophobicContact CD1-CZ2 3.65Å; I139-W245 HydrophobicContact CD1-CZ3 3.63Å; I139-W245 HydrophobicContact CG1-CH2 3.88Å; I139-W245 HydrophobicContact CG1-CZ2 3.79Å; I139-W245 HydrophobicContact CG1-CZ3 4.42Å; I139-W245 HydrophobicContact CG2-CZ2 4.25Å; T140-W245 WeakPolarHBondContact O-CH2 3.41Å; T140-W245 WeakPolarHBondContact O-CZ2 3.5Å; T144-W245 HydrophobicContact CG2-CE3 4.15Å; T144-W245 HydrophobicContact CG2-CH2 3.87Å; T144-W245 HydrophobicContact CG2-CZ3 3.71Å; T144-W245 WeakPolarHBondContact OG1-CH2 3.4Å; T144-W245 WeakPolarHBondContact OG1-CZ2 3.42Å; S243-W245 VanDerWaalsContact O-CD1 3.28Å; W245-G247 PolarHBondContact O-N 3.02Å; W245-L248 HydrophobicContact CB-CB 3.85Å; W245-L248 HydrophobicContact CB-CD1 4.31Å; W245-L248 HydrophobicContact CB-CG 4.43Å; W245-L248 HydrophobicContact CE3-CD1 4.08Å; W245-L248 PolarHBondContact O-N 3.49Å; W245-G249 PolarHBondContact N-O 2.9Å; W245-G249 PolarHBondContact O-N 3.26Å; W245-I251 HydrophobicContact CB-CD1 4.22Å; W245-I251 HydrophobicContact CD2-CD1 3.87Å; W245-I251 HydrophobicContact CE3-CD1 4.43Å; W245-I251 HydrophobicContact CG-CD1 3.75Å; W245-I251 HydrophobicContact CG-CG1 4.19Å; W245-S254 PolarHBondContact NE1-OG 2.95Å
246R88.9Confident91.9Very high8 Ų843.7 Ų43.73%0.0327%0.267CS..THydrogen-bonded Turntrans-58.6124.8179-167.6174-178.3175.61.3110.1V36 L37 M39 L248 D280 L290 F312V36-R246 WeakPolarHBondContact O-CB 3.45Å; V36-R246 PolarHBondContact O-N 3.46Å; L37-R246 VanDerWaalsContact O-CD 3.23Å; L37-R246 WeakPolarHBondContact O-CD 3.45Å; M39-R246 VanDerWaalsContact CG-CZ 3.49Å; M39-R246 PolarHBondContact SD-NH2 2.89Å; R246-L248 VanDerWaalsContact C-N 3.25Å; R246-L248 PolarHBondContact O-N 3.45Å; R246-D280 WeakPolarHBondContact CG-OD2 3.33Å; R246-D280 IonicContact CZ-OD1 2.67Å; R246-D280 IonicContact NE-OD1 3.68Å; R246-D280 PolarHBondContact NE-OD1 2.98Å; R246-D280 IonicContact NE-OD2 2.66Å; R246-D280 PolarHBondContact NE-OD2 2.92Å; R246-D280 IonicContact NH2-OD1 3.13Å; R246-D280 PolarHBondContact NH2-OD1 2.84Å; R246-L290 WeakPolarHBondContact O-CD1 3.36Å; R246-F312 PolarHBondContact NH2-O 2.87Å
247G86.4Confident91.8Very high33 Ų3348 Ų4834%0.3429%0.287SS..THydrogen-bonded Turntrans80.4-10.3-177.500000115.7W245 G287W245-G247 PolarHBondContact O-N 3.02Å; G247-G287 WeakPolarHBondContact O-CA 3.43Å
248L88.7Confident91.8Very high46 Ų4647.9 Ų47.924%0.24129%0.287CS..THydrogen-bonded Turntrans-115.7-13.3177.6-55.3178.5000113.3P30 T144 W245 R246 I251 L290 T291P30-L248 HydrophobicContact CB-CD1 3.7Å; P30-L248 HydrophobicContact CG-CD1 4.2Å; T144-L248 HydrophobicContact CG2-CD1 3.95Å; W245-L248 HydrophobicContact CB-CB 3.85Å; W245-L248 HydrophobicContact CB-CD1 4.31Å; W245-L248 HydrophobicContact CB-CG 4.43Å; W245-L248 HydrophobicContact CE3-CD1 4.08Å; W245-L248 PolarHBondContact O-N 3.49Å; R246-L248 VanDerWaalsContact C-N 3.25Å; R246-L248 PolarHBondContact O-N 3.45Å; L248-I251 HydrophobicContact CB-CD1 4.15Å; L248-I251 HydrophobicContact CD1-CD1 4.09Å; L248-L290 HydrophobicContact CD2-CB 4.22Å; L248-T291 HydrophobicContact CD2-CG2 3.36Å
249G89.1Confident91.8Very high36 Ų3647.1 Ų47.137%0.37128%0.281SS..EExtended strand (participates in β ladder)trans80.3-155.4-177.200000112.1W245W245-G249 PolarHBondContact N-O 2.9Å; W245-G249 PolarHBondContact O-N 3.26Å
250V91.9Very high92.1Very high97 Ų9749.1 Ų49.159%0.58830%0.296SS*.EExtended strand (participates in β ladder)trans-84.9127.4180178.30000109.4D242 S243D242-V250 HydrophobicContact CB-CG1 3.46Å; D242-V250 VanDerWaalsContact CB-CG1 3.46Å; S243-V250 WeakPolarHBondContact O-CA 3.33Å
251I92.2Very high92.6Very high5 Ų549.4 Ų49.43%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-112.6120.9177.7-59-177.9000108.6P143 T144 S243 W245 L248 S254P143-I251 HydrophobicContact CB-CG2 4.2Å; T144-I251 HydrophobicContact CG2-CD1 3.75Å; T144-I251 WeakPolarHBondContact OG1-CD1 3.39Å; S243-I251 PolarHBondContact N-O 3.13Å; S243-I251 PolarHBondContact O-N 2.94Å; W245-I251 HydrophobicContact CB-CD1 4.22Å; W245-I251 HydrophobicContact CD2-CD1 3.87Å; W245-I251 HydrophobicContact CE3-CD1 4.43Å; W245-I251 HydrophobicContact CG-CD1 3.75Å; W245-I251 HydrophobicContact CG-CG1 4.19Å; L248-I251 HydrophobicContact CB-CD1 4.15Å; L248-I251 HydrophobicContact CD1-CD1 4.09Å; I251-S254 PolarHBondContact O-OG 2.88Å
252E91.8Very high93.1Very high146 Ų14647.9 Ų47.968%0.68228%0.278SS*.THydrogen-bonded Turntrans-62.3145.2179.8-65.5-174.7-178.500112D242 S254D242-E252 VanDerWaalsContact OD1-CA 3.29Å; D242-E252 WeakPolarHBondContact OD1-CA 3.36Å; E252-S254 PolarHBondContact O-N 3.32Å
253S91.6Very high93.5Very high71 Ų7147.1 Ų47.150%0.49727%0.271SS..THydrogen-bonded Turntrans56.722.4176.3-54.20000114.6P143 V239 G241 D242P143-S253 VanDerWaalsContact CG-O 3.32Å; P143-S253 WeakPolarHBondContact CG-O 3.19Å; V239-S253 WeakPolarHBondContact CG1-O 3.42Å; G241-S253 CarbonylContact O-C 3.52Å; G241-S253 WeakPolarHBondContact O-CA 3.09Å; G241-S253 PolarHBondContact O-N 2.91Å; G241-S253 VanDerWaalsContact O-N 3.12Å; D242-S253 PolarHBondContact OD1-N 3.33Å
254S93Very high93.8Very high0 Ų051.2 Ų51.20%028%0.284CS..  trans-102.9-9.2179.171.40000113.7I139 T140 G241 S243 W245 I251 E252I139-S254 WeakPolarHBondContact CA-O 3.36Å; T140-S254 PolarHBondContact N-O 3.29Å; T140-S254 WeakPolarHBondContact OG1-CA 3.36Å; G241-S254 PolarHBondContact O-N 2.99Å; S243-S254 WeakPolarHBondContact CB-OG 3.47Å; S243-S254 PolarHBondContact N-OG 2.8Å; W245-S254 PolarHBondContact NE1-OG 2.95Å; I251-S254 PolarHBondContact O-OG 2.88Å; E252-S254 PolarHBondContact O-N 3.32Å
255G93.4Very high94.1Very high3 Ų346.9 Ų46.93%0.03126%0.264CS..BIsolated β-bridgetrans-74.4139.7179.200000112.8V239 N240 G241V239-G255 WeakPolarHBondContact CA-O 3.37Å; N240-G255 PolarHBondContact N-O 3.48Å; N240-G255 VanDerWaalsContact N-O 3.09Å; G241-G255 PolarHBondContact O-N 3.19Å
256V96.8Very high94.4Very high7 Ų748.2 Ų48.24%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-121.6126178.9179.30000109M114 C136 H138 T140 F237 V239M114-V256 HydrophobicContact CE-CB 4.47Å; M114-V256 HydrophobicContact CE-CG1 4.36Å; M114-V256 HydrophobicContact CE-CG2 3.59Å; C136-V256 PolarHBondContact SG-O 3.43Å; H138-V256 HydrophobicContact CB-CB 3.93Å; H138-V256 HydrophobicContact CB-CG1 3.96Å; H138-V256 HydrophobicContact CB-CG2 4.25Å; H138-V256 WeakPolarHBondContact O-CB 3.31Å; T140-V256 HydrophobicContact CG2-CG2 3.84Å; F237-V256 HydrophobicContact CB-CG1 3.82Å; F237-V256 HydrophobicContact CD1-CG1 3.95Å; F237-V256 HydrophobicContact CG-CG1 4Å; V239-V256 HydrophobicContact CG2-CG2 4.4Å
257H96.5Very high94.9Very high91 Ų9147.8 Ų47.842%0.42127%0.27SS..EExtended strand (participates in β ladder)trans-125.9159.4-177.7-61.2-79.6000111.3F237 C238 N240F237-H257 CarbonylContact C-O 3.43Å; F237-H257 VanDerWaalsContact CA-O 3.24Å; F237-H257 WeakPolarHBondContact CA-O 3.21Å; C238-H257 PolarHBondContact N-O 3.09Å; C238-H257 PolarHBondContact O-N 3.11Å; N240-H257 PolarHBondContact O-CD2 2.93Å; N240-H257 PolarHBondContact O-NE2 3.25Å
258L97.9Very high95.4Very high5 Ų549.1 Ų49.13%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-70.7139.6172.1-67.9170000110.6L121 F134 V236 F237 Q263 F265 D266L121-L258 HydrophobicContact CD1-CD2 3.63Å; F134-L258 HydrophobicContact CD1-CD1 4.19Å; F134-L258 HydrophobicContact CD1-CD2 4.04Å; F134-L258 HydrophobicContact CD1-CG 4.29Å; F134-L258 HydrophobicContact CE1-CD2 4.43Å; V236-L258 HydrophobicContact CG1-CD2 3.92Å; V236-L258 WeakPolarHBondContact O-CA 3.19Å; F237-L258 HydrophobicContact CD1-CD2 4.01Å; F237-L258 HydrophobicContact CE1-CD2 3.65Å; L258-Q263 PolarHBondContact O-NE2 2.95Å; L258-F265 HydrophobicContact CD1-CB 4.46Å; L258-D266 HydrophobicContact CD1-CB 3.98Å
259T98.2Very high95.8Very high20 Ų2049.7 Ų49.712%0.12328%0.278CS..  trans-66.2158.6168.9610000110.2D235 V236 C238 D261 Y262 Q263D235-T259 PolarHBondContact O-OG1 3.06Å; V236-T259 PolarHBondContact O-N 2.98Å; V236-T259 PolarHBondContact O-OG1 3.19Å; C238-T259 HydrophobicContact CB-CG2 4.32Å; T259-D261 PolarHBondContact O-N 3.23Å; T259-Y262 PolarHBondContact O-N 2.7Å; T259-Y262 WeakPolarHBondContact OG1-CD2 3.32Å; T259-Q263 PolarHBondContact O-N 3.01Å
260P97.8Very high96.2Very high115 Ų11551.6 Ų51.675%0.74728%0.277SS*.G310 helixtrans-49.9-36.4-177.8-30.937.1000114.2Y262 Q263P260-Y262 PolarHBondContact O-N 3.06Å; P260-Q263 WeakPolarHBondContact O-CB 3.45Å; P260-Q263 PolarHBondContact O-N 3.15Å
261D97.9Very high96.5Very high104 Ų10448.1 Ų48.156%0.55625%0.254SS*.G310 helixtrans-66.7-14.2-178.7-102.346.2000115.2K125 T259K125-D261 PolarHBondContact NZ-O 3.48Å; K125-D261 IonicContact NZ-OD2 2.64Å; K125-D261 PolarHBondContact NZ-OD2 2.95Å; T259-D261 PolarHBondContact O-N 3.23Å
262Y98.5Very high96.7Very high11 Ų1157.6 Ų57.64%0.04329%0.29CS..G310 helixtrans-122.50-178.6-66.4-89.3000113.1L121 Q122 K125 D235 V236 T259 P260 R264 F265L121-Y262 HydrophobicContact CB-CD1 4.02Å; L121-Y262 HydrophobicContact CB-CE1 4.36Å; Q122-Y262 HydrophobicContact CG-CE1 4.2Å; Q122-Y262 VanDerWaalsContact CG-OH 3.23Å; Q122-Y262 WeakPolarHBondContact CG-OH 3.31Å; K125-Y262 HydrophobicContact CB-CE1 4.1Å; K125-Y262 HydrophobicContact CD-CD1 4.16Å; K125-Y262 HydrophobicContact CD-CE1 3.64Å; D235-Y262 WeakPolarHBondContact O-CE2 3.44Å; D235-Y262 PolarHBondContact OD2-OH 2.94Å; V236-Y262 HydrophobicContact CB-CD2 4.34Å; V236-Y262 HydrophobicContact CB-CE2 4.35Å; V236-Y262 HydrophobicContact CG1-CD1 4.26Å; V236-Y262 HydrophobicContact CG1-CD2 4.32Å; V236-Y262 HydrophobicContact CG1-CG 4.07Å; V236-Y262 HydrophobicContact CG2-CD1 4.36Å; V236-Y262 HydrophobicContact CG2-CD2 4.24Å; V236-Y262 HydrophobicContact CG2-CE1 3.98Å; V236-Y262 HydrophobicContact CG2-CE2 3.82Å; V236-Y262 HydrophobicContact CG2-CG 4.48Å; T259-Y262 PolarHBondContact O-N 2.7Å; T259-Y262 WeakPolarHBondContact OG1-CD2 3.32Å; P260-Y262 PolarHBondContact O-N 3.06Å; Y262-R264 PolarHBondContact O-N 3.25Å; Y262-F265 HydrophobicContact CD1-CD2 4.1Å; Y262-F265 AromaticContact CD1-CE2 3.98Å; Y262-F265 HydrophobicContact CD1-CE2 3.98Å; Y262-F265 WeakPolarHBondContact O-CB 3.22Å; Y262-F265 WeakPolarHBondContact O-CD2 3.33Å; Y262-F265 PolarHBondContact O-N 3.45Å
263Q97.8Very high96.8Very high79 Ų7951.8 Ų51.837%0.36927%0.265SS..G310 helixtrans-54.8-25.3-179.8-77.3-69.8-34.600114.3L258 T259 P260 F265 D266L258-Q263 PolarHBondContact O-NE2 2.95Å; T259-Q263 PolarHBondContact O-N 3.01Å; P260-Q263 WeakPolarHBondContact O-CB 3.45Å; P260-Q263 PolarHBondContact O-N 3.15Å; Q263-F265 PolarHBondContact O-N 2.91Å; Q263-F265 VanDerWaalsContact O-N 3.11Å; Q263-D266 VanDerWaalsContact O-CB 3.27Å; Q263-D266 WeakPolarHBondContact O-CB 3.29Å; Q263-D266 PolarHBondContact O-N 3.01Å
264R98Very high96.7Very high103 Ų10350.8 Ų50.839%0.38926%0.261SS..G310 helixtrans-59.8-21.3175.175.8-178.3-165.3166.39.3114A124 K125 D128 Y262A124-R264 PolarHBondContact O-NH2 3.09Å; K125-R264 PolarHBondContact O-NH2 3.01Å; D128-R264 IonicContact OD1-CZ 3.83Å; D128-R264 IonicContact OD1-NH1 3.51Å; D128-R264 PolarHBondContact OD1-NH1 2.65Å; D128-R264 IonicContact OD1-NH2 3.78Å; D128-R264 PolarHBondContact OD1-NH2 3.21Å; Y262-R264 PolarHBondContact O-N 3.25Å
265F98.7Very high96.4Very high3 Ų357 Ų571%0.01330%0.3CS..G310 helixtrans-90.9-4.3177.4-58-64.7000112.7L121 A124 K125 F132 Y133 F134 L258 Y262 Q263 A267L121-F265 HydrophobicContact CD2-CB 3.77Å; L121-F265 HydrophobicContact CD2-CD1 4.44Å; L121-F265 HydrophobicContact CD2-CD2 3.86Å; L121-F265 HydrophobicContact CD2-CG 3.77Å; A124-F265 HydrophobicContact CB-CE1 3.72Å; A124-F265 HydrophobicContact CB-CZ 3.72Å; K125-F265 HydrophobicContact CB-CE2 4.02Å; K125-F265 HydrophobicContact CB-CZ 4.12Å; F132-F265 HydrophobicContact CD1-CD1 4.36Å; F132-F265 WeakPolarHBondContact O-CD1 3.44Å; Y133-F265 CarbonylContact C-O 3.58Å; Y133-F265 VanDerWaalsContact CA-O 3.32Å; Y133-F265 WeakPolarHBondContact CA-O 3.21Å; F134-F265 HydrophobicContact CB-CB 4.48Å; F134-F265 PolarHBondContact N-O 3.25Å; L258-F265 HydrophobicContact CD1-CB 4.46Å; Y262-F265 HydrophobicContact CD1-CD2 4.1Å; Y262-F265 AromaticContact CD1-CE2 3.98Å; Y262-F265 HydrophobicContact CD1-CE2 3.98Å; Y262-F265 WeakPolarHBondContact O-CB 3.22Å; Y262-F265 WeakPolarHBondContact O-CD2 3.33Å; Y262-F265 PolarHBondContact O-N 3.45Å; Q263-F265 PolarHBondContact O-N 2.91Å; Q263-F265 VanDerWaalsContact O-N 3.11Å; F265-A267 PolarHBondContact O-N 2.84Å; F265-A267 VanDerWaalsContact O-N 3.14Å
266D98.3Very high95.9Very high29 Ų2959.1 Ų59.116%0.15531%0.31CS..BIsolated β-bridgetrans-66.7113.1-176.2-168.5-43.1000111.3L258 Q263 E268 A269 H270L258-D266 HydrophobicContact CD1-CB 3.98Å; Q263-D266 VanDerWaalsContact O-CB 3.27Å; Q263-D266 WeakPolarHBondContact O-CB 3.29Å; Q263-D266 PolarHBondContact O-N 3.01Å; D266-E268 WeakPolarHBondContact OD1-CA 3.32Å; D266-E268 WeakPolarHBondContact OD1-CB 3.17Å; D266-E268 PolarHBondContact OD1-N 3.34Å; D266-A269 HydrophobicContact CB-CB 3.91Å; D266-A269 PolarHBondContact OD1-N 3.28Å; D266-H270 WeakPolarHBondContact O-CB 3.47Å; D266-H270 PolarHBondContact O-N 3.07Å
267A98.4Very high94.9Very high0 Ų067.4 Ų67.40%035%0.348CS..Hα-helixtrans-68.8-34.5178.600000112.2V104 F134 F135 F265 H270 F271V104-A267 HydrophobicContact CG1-CB 3.94Å; F134-A267 WeakPolarHBondContact O-CB 3.37Å; F134-A267 PolarHBondContact O-N 3.02Å; F135-A267 HydrophobicContact CB-CB 3.95Å; F265-A267 PolarHBondContact O-N 2.84Å; F265-A267 VanDerWaalsContact O-N 3.14Å; A267-H270 PolarHBondContact O-N 3.47Å; A267-F271 HydrophobicContact CB-CD2 4.29Å; A267-F271 WeakPolarHBondContact O-CB 3.41Å; A267-F271 VanDerWaalsContact O-CD2 3.26Å; A267-F271 WeakPolarHBondContact O-CD2 3.33Å; A267-F271 PolarHBondContact O-N 3.45Å
268E96.2Very high93.8Very high61 Ų6164.8 Ų64.829%0.28534%0.338SS..Hα-helixtrans-68.8-43.8-179.2-59.2-167.970.800111.1R41 F135 D266 H270 R272R41-E268 IonicContact CZ-OE1 3.5Å; R41-E268 IonicContact CZ-OE2 3.44Å; R41-E268 IonicContact NH1-OE1 3.23Å; R41-E268 PolarHBondContact NH1-OE1 3.34Å; R41-E268 IonicContact NH1-OE2 2.81Å; R41-E268 PolarHBondContact NH1-OE2 3.1Å; R41-E268 IonicContact NH2-OE1 3.23Å; R41-E268 IonicContact NH2-OE2 3.61Å; R41-E268 PolarHBondContact NH2-OE2 3.04Å; F135-E268 HydrophobicContact CD2-CG 3.4Å; F135-E268 VanDerWaalsContact CD2-CG 3.4Å; F135-E268 HydrophobicContact CE2-CG 3.35Å; D266-E268 WeakPolarHBondContact OD1-CA 3.32Å; D266-E268 WeakPolarHBondContact OD1-CB 3.17Å; D266-E268 PolarHBondContact OD1-N 3.34Å; E268-H270 PolarHBondContact O-N 3.3Å; E268-R272 VanDerWaalsContact O-CA 3.27Å; E268-R272 WeakPolarHBondContact O-CA 3.38Å; E268-R272 PolarHBondContact O-N 2.81Å
269A97.2Very high92.6Very high57 Ų5770 Ų7047%0.47137%0.374SS..Hα-helixtrans-62.1-35.1176.300000112D266 R272D266-A269 HydrophobicContact CB-CB 3.91Å; D266-A269 PolarHBondContact OD1-N 3.28Å; A269-R272 WeakPolarHBondContact O-CG 3.35Å
270H98Very high91.6Very high76 Ų7670.9 Ų70.935%0.35238%0.378SS..Hα-helixtrans-77.4-50.8-179.1-176.179.9000113.4K102 Y133 D266 A267 E268K102-H270 WeakPolarHBondContact CE-NE2 3.37Å; K102-H270 PolarHBondContact NZ-NE2 2.96Å; Y133-H270 HydrophobicContact CD1-CB 3.95Å; Y133-H270 AromaticContact CD1-CG 3.98Å; Y133-H270 HydrophobicContact CE1-CB 3.76Å; Y133-H270 AromaticContact CE1-CD2 3.68Å; Y133-H270 AromaticContact CE1-CE1 3.84Å; Y133-H270 AromaticContact CE1-CG 3.38Å; Y133-H270 AromaticContact CE1-ND1 3.52Å; Y133-H270 AromaticContact CE1-NE2 3.93Å; Y133-H270 AromaticContact CZ-CD2 3.77Å; Y133-H270 AromaticContact CZ-CE1 3.62Å; Y133-H270 AromaticContact CZ-CG 3.87Å; Y133-H270 AromaticContact CZ-ND1 3.8Å; Y133-H270 AromaticContact CZ-NE2 3.58Å; Y133-H270 PolarHBondContact OH-CE1 3.19Å; Y133-H270 PolarHBondContact OH-NE2 3.06Å; D266-H270 WeakPolarHBondContact O-CB 3.47Å; D266-H270 PolarHBondContact O-N 3.07Å; A267-H270 PolarHBondContact O-N 3.47Å; E268-H270 PolarHBondContact O-N 3.3Å
271F97.9Very high90.6Very high25 Ų2567.4 Ų67.411%0.1135%0.353CS..Hα-helixtrans-85.9-22.6-175.8-69.8-79.5000113.4I48 V54 K102 V104 Y133 A267I48-F271 HydrophobicContact CD1-CB 4.48Å; I48-F271 HydrophobicContact CG1-CB 4.06Å; I48-F271 HydrophobicContact CG1-CD2 4.43Å; I48-F271 HydrophobicContact CG1-CG 4.25Å; I48-F271 HydrophobicContact CG2-CD1 4.41Å; I48-F271 HydrophobicContact CG2-CD2 3.84Å; I48-F271 HydrophobicContact CG2-CE2 3.98Å; I48-F271 HydrophobicContact CG2-CG 4.1Å; I48-F271 HydrophobicContact CG2-CZ 4.31Å; V54-F271 HydrophobicContact CG2-CE1 3.53Å; V54-F271 HydrophobicContact CG2-CZ 3.48Å; V54-F271 VanDerWaalsContact CG2-CZ 3.48Å; K102-F271 HydrophobicContact CB-CZ 4.17Å; K102-F271 HydrophobicContact CD-CE1 3.96Å; K102-F271 HydrophobicContact CD-CZ 3.68Å; V104-F271 HydrophobicContact CG2-CD2 4.46Å; V104-F271 HydrophobicContact CG2-CE2 3.52Å; V104-F271 HydrophobicContact CG2-CZ 3.93Å; Y133-F271 HydrophobicContact CD2-CE2 4.47Å; Y133-F271 HydrophobicContact CG-CE2 4.39Å; A267-F271 HydrophobicContact CB-CD2 4.29Å; A267-F271 WeakPolarHBondContact O-CB 3.41Å; A267-F271 VanDerWaalsContact O-CD2 3.26Å; A267-F271 WeakPolarHBondContact O-CD2 3.33Å; A267-F271 PolarHBondContact O-N 3.45Å
272R96.7Very high89.7Confident204 Ų20468.8 Ų68.877%0.7737%0.368SS*.  trans48.756-179.9-56.3-179.5-176.2-176.8-0.3112.9E268 A269E268-R272 VanDerWaalsContact O-CA 3.27Å; E268-R272 WeakPolarHBondContact O-CA 3.38Å; E268-R272 PolarHBondContact O-N 2.81Å; A269-R272 WeakPolarHBondContact O-CG 3.35Å
273P94.1Very high89.1Confident24 Ų2475.1 Ų75.116%0.15639%0.392CS..PPolyproline II helixtrans-61.9153-176.528.4-35.3000111.6T44 E47T44-P273 HydrophobicContact CG2-CB 3.64Å; T44-P273 HydrophobicContact CG2-CG 3.42Å; T44-P273 VanDerWaalsContact CG2-CG 3.42Å; E47-P273 VanDerWaalsContact OE1-CA 3.29Å; E47-P273 WeakPolarHBondContact OE1-CA 3.48Å
274A89.9Confident88.6Confident50 Ų5072.6 Ų72.641%0.41338%0.384SS..PPolyproline II helixtrans-66.1141.7178.700000111.3E47 Q276E47-A274 PolarHBondContact OE1-N 3.45Å; E47-A274 VanDerWaalsContact OE1-N 3.12Å; E47-A274 PolarHBondContact OE2-N 3.12Å; A274-Q276 WeakPolarHBondContact O-CG 3.17Å; A274-Q276 PolarHBondContact O-N 2.87Å; A274-Q276 PolarHBondContact O-NE2 2.88Å
275P85.3Confident88.3Confident129 Ų12971.1 Ų71.184%0.83838%0.378SS*.PPolyproline II helixtrans-57.3126.5172.1-24.433.8000111.6
276Q84Confident88Confident49 Ų4971.8 Ų71.823%0.22938%0.383CS..  trans-101.7109.5-178.6-58.5-63-28.800109.6D43 E47 A274 V278D43-Q276 HydrophobicContact CB-CB 4.39Å; D43-Q276 HydrophobicContact CB-CG 3.84Å; E47-Q276 PolarHBondContact OE2-NE2 3.32Å; A274-Q276 WeakPolarHBondContact O-CG 3.17Å; A274-Q276 PolarHBondContact O-N 2.87Å; A274-Q276 PolarHBondContact O-NE2 2.88Å; Q276-V278 HydrophobicContact CB-CG2 4.24Å
277Q75Confident87.6Confident181 Ų18171.1 Ų71.185%0.84638%0.384SS*.  trans-91.4108.9169.4-74.6-173.2-13.300109.6
278V74.2Confident87.3Confident35 Ų3574.3 Ų74.321%0.21240%0.399CS..  trans-133.7144.8179.8-156.60000109.4M39 D43 K68 Q276M39-V278 HydrophobicContact CB-CB 4.06Å; M39-V278 HydrophobicContact CB-CG1 3.79Å; M39-V278 HydrophobicContact CB-CG2 4.46Å; M39-V278 HydrophobicContact CE-CB 4.36Å; M39-V278 HydrophobicContact CE-CG1 3.54Å; M39-V278 HydrophobicContact SD-CG1 4.06Å; D43-V278 WeakPolarHBondContact OD2-CG2 3.35Å; K68-V278 HydrophobicContact CB-CG1 3.96Å; K68-V278 HydrophobicContact CB-CG2 4.33Å; K68-V278 HydrophobicContact CD-CG1 4.39Å; Q276-V278 HydrophobicContact CB-CG2 4.24Å
279C73.7Confident87.1Confident115 Ų11571.7 Ų71.778%0.77739%0.386SS*.  trans-132.3142.3173.8-171.40000108.6M39M39-C279 VanDerWaalsContact CE-O 3.27Å; M39-C279 WeakPolarHBondContact CE-O 3.31Å
280D75.2Confident86.8Confident39 Ų3969 Ų6921%0.20937%0.365CS..  trans-59.8158.1173.1-82.4-48.6000111.6M39 R246M39-D280 HydrophobicContact CE-CB 4.3Å; M39-D280 VanDerWaalsContact CE-OD1 3.28Å; M39-D280 WeakPolarHBondContact CE-OD1 3.46Å; R246-D280 WeakPolarHBondContact CG-OD2 3.33Å; R246-D280 IonicContact CZ-OD1 2.67Å; R246-D280 IonicContact NE-OD1 3.68Å; R246-D280 PolarHBondContact NE-OD1 2.98Å; R246-D280 IonicContact NE-OD2 2.66Å; R246-D280 PolarHBondContact NE-OD2 2.92Å; R246-D280 IonicContact NH2-OD1 3.13Å; R246-D280 PolarHBondContact NH2-OD1 2.84Å
281D76.7Confident86.3Confident41 Ų4166.8 Ų66.822%0.21936%0.356CS..  trans-57.6126.3172.2-173.1-50.4000108.8R283 A284 F312D281-R283 PolarHBondContact O-N 2.8Å; D281-R283 VanDerWaalsContact OD1-CB 3.26Å; D281-R283 WeakPolarHBondContact OD1-CB 3.41Å; D281-R283 WeakPolarHBondContact OD1-CG 3.16Å; D281-R283 IonicContact OD1-CZ 3.89Å; D281-R283 PolarHBondContact OD1-N 3Å; D281-R283 IonicContact OD1-NE 2.73Å; D281-R283 PolarHBondContact OD1-NE 3.25Å; D281-R283 IonicContact OD1-NH2 3.84Å; D281-R283 IonicContact OD2-CZ 3.96Å; D281-R283 IonicContact OD2-NE 2.97Å; D281-R283 PolarHBondContact OD2-NE 2.87Å; D281-R283 IonicContact OD2-NH2 2.8Å; D281-R283 PolarHBondContact OD2-NH2 2.94Å; D281-A284 HydrophobicContact CB-CB 4.38Å; D281-A284 VanDerWaalsContact O-CB 3.26Å; D281-A284 WeakPolarHBondContact O-CB 3.49Å; D281-A284 PolarHBondContact O-N 3.45Å; D281-F312 HydrophobicContact CB-CD1 4.39Å
282P80.6Confident85.9Confident134 Ų13467 Ų6787%0.8737%0.365SS*.THydrogen-bonded Turntrans-63.6-14-175.425.5-35.4000113.6
283R84.9Confident85.6Confident144 Ų14462 Ų6254%0.54335%0.35SS..THydrogen-bonded Turntrans-85.8-14174.3-57.2170.4-66.1171.61.2112.6D281 L301D281-R283 PolarHBondContact O-N 2.8Å; D281-R283 VanDerWaalsContact OD1-CB 3.26Å; D281-R283 WeakPolarHBondContact OD1-CB 3.41Å; D281-R283 WeakPolarHBondContact OD1-CG 3.16Å; D281-R283 IonicContact OD1-CZ 3.89Å; D281-R283 PolarHBondContact OD1-N 3Å; D281-R283 IonicContact OD1-NE 2.73Å; D281-R283 PolarHBondContact OD1-NE 3.25Å; D281-R283 IonicContact OD1-NH2 3.84Å; D281-R283 IonicContact OD2-CZ 3.96Å; D281-R283 IonicContact OD2-NE 2.97Å; D281-R283 PolarHBondContact OD2-NE 2.87Å; D281-R283 IonicContact OD2-NH2 2.8Å; D281-R283 PolarHBondContact OD2-NH2 2.94Å; R283-L301 HydrophobicContact CB-CD1 4.21Å; R283-L301 HydrophobicContact CB-CD2 4.16Å; R283-L301 HydrophobicContact CB-CG 4.28Å
284A87.8Confident85.5Confident25 Ų2561.2 Ų61.221%0.20734%0.344CS..  trans-76.6126.318000000110.3D281 C286 L301D281-A284 HydrophobicContact CB-CB 4.38Å; D281-A284 VanDerWaalsContact O-CB 3.26Å; D281-A284 WeakPolarHBondContact O-CB 3.49Å; D281-A284 PolarHBondContact O-N 3.45Å; A284-C286 VanDerWaalsContact C-N 3.32Å; A284-C286 PolarHBondContact O-N 2.88Å; A284-L301 HydrophobicContact CB-CD1 3.88Å
285R91.8Very high85.5Confident72 Ų7260.8 Ų60.827%0.27233%0.333SS..  trans-96.328.7177.3-58.3-177.271.8-167.42.4112.4G287 E288 V289 Q298 C299R285-G287 VanDerWaalsContact C-N 3.34Å; R285-G287 PolarHBondContact O-N 2.85Å; R285-E288 HydrophobicContact CB-CB 4.24Å; R285-E288 WeakPolarHBondContact CG-OE1 3.3Å; R285-E288 IonicContact CZ-OE1 3.36Å; R285-E288 IonicContact CZ-OE2 2.66Å; R285-E288 VanDerWaalsContact CZ-OE2 3.23Å; R285-E288 VanDerWaalsContact NE-CD 3.29Å; R285-E288 IonicContact NE-OE1 2.67Å; R285-E288 PolarHBondContact NE-OE1 3.39Å; R285-E288 IonicContact NE-OE2 3.15Å; R285-E288 PolarHBondContact NE-OE2 3.49Å; R285-E288 IonicContact NH2-OE1 2.65Å; R285-E288 IonicContact NH2-OE2 2.7Å; R285-E288 PolarHBondContact NH2-OE2 2.92Å; R285-E288 WeakPolarHBondContact O-CB 3.4Å; R285-E288 PolarHBondContact O-N 3.29Å; R285-E288 VanDerWaalsContact O-N 3.14Å; R285-V289 PolarHBondContact O-N 3.03Å; R285-Q298 PolarHBondContact NH1-O 2.94Å; R285-C299 HydrophobicContact CB-CB 4.14Å
286C91.5Very high85.9Confident17 Ų1754.9 Ų54.912%0.11530%0.295CS..Hα-helixtrans-59.6-42.4-175.1-67.40000112.6A284 E288 V289 L290 L315A284-C286 VanDerWaalsContact C-N 3.32Å; A284-C286 PolarHBondContact O-N 2.88Å; C286-E288 VanDerWaalsContact C-N 3.32Å; C286-E288 PolarHBondContact O-N 2.84Å; C286-V289 PolarHBondContact O-N 3.2Å; C286-L290 WeakPolarHBondContact O-CG 3.19Å; C286-L290 PolarHBondContact O-N 2.92Å; C286-L315 HydrophobicContact CB-CD1 3.84Å; C286-L315 WeakPolarHBondContact O-CD1 3.42Å
287G90.7Very high86.3Confident16 Ų1656.1 Ų56.117%0.16530%0.3CS..Hα-helixtrans-62.5-38.1175.500000113.1G247 R285 V289 L290 T291G247-G287 WeakPolarHBondContact O-CA 3.43Å; R285-G287 VanDerWaalsContact C-N 3.34Å; R285-G287 PolarHBondContact O-N 2.85Å; G287-V289 VanDerWaalsContact C-N 3.34Å; G287-V289 PolarHBondContact O-N 3.39Å; G287-L290 PolarHBondContact O-N 3.3Å; G287-T291 WeakPolarHBondContact O-CB 3.34Å; G287-T291 WeakPolarHBondContact O-CG2 3.46Å; G287-T291 PolarHBondContact O-N 3.13Å; G287-T291 PolarHBondContact O-OG1 3.17Å
288E91.6Very high87.1Confident67 Ų6752 Ų5231%0.31328%0.281SS..Hα-helixtrans-67.5-35176.5-63.8-178.8-115.400112.3R285 C286 T291 G292 K293 C294R285-E288 HydrophobicContact CB-CB 4.24Å; R285-E288 WeakPolarHBondContact CG-OE1 3.3Å; R285-E288 IonicContact CZ-OE1 3.36Å; R285-E288 IonicContact CZ-OE2 2.66Å; R285-E288 VanDerWaalsContact CZ-OE2 3.23Å; R285-E288 VanDerWaalsContact NE-CD 3.29Å; R285-E288 IonicContact NE-OE1 2.67Å; R285-E288 PolarHBondContact NE-OE1 3.39Å; R285-E288 IonicContact NE-OE2 3.15Å; R285-E288 PolarHBondContact NE-OE2 3.49Å; R285-E288 IonicContact NH2-OE1 2.65Å; R285-E288 IonicContact NH2-OE2 2.7Å; R285-E288 PolarHBondContact NH2-OE2 2.92Å; R285-E288 WeakPolarHBondContact O-CB 3.4Å; R285-E288 PolarHBondContact O-N 3.29Å; R285-E288 VanDerWaalsContact O-N 3.14Å; C286-E288 VanDerWaalsContact C-N 3.32Å; C286-E288 PolarHBondContact O-N 2.84Å; E288-T291 WeakPolarHBondContact CA-OG1 3.38Å; E288-T291 PolarHBondContact O-OG1 3.07Å; E288-G292 CarbonylContact O-C 3.46Å; E288-G292 PolarHBondContact O-N 2.8Å; E288-G292 VanDerWaalsContact O-N 3.11Å; E288-K293 HydrophobicContact CB-CB 4.01Å; E288-K293 HydrophobicContact CG-CB 4.39Å; E288-K293 PolarHBondContact O-N 3.2Å; E288-C294 HydrophobicContact CB-CB 4.41Å; E288-C294 VanDerWaalsContact CB-SG 3.56Å; E288-C294 PolarHBondContact O-N 3.2Å
289V92.7Very high88Confident5 Ų551 Ų513%0.0328%0.276CS..Hα-helixtrans-67-42.8172.61760000111.1R285 C286 G287 T291 G292 C294 P296 L315 A322R285-V289 PolarHBondContact O-N 3.03Å; C286-V289 PolarHBondContact O-N 3.2Å; G287-V289 VanDerWaalsContact C-N 3.34Å; G287-V289 PolarHBondContact O-N 3.39Å; V289-T291 VanDerWaalsContact C-N 3.25Å; V289-T291 PolarHBondContact O-N 3.19Å; V289-G292 PolarHBondContact O-N 2.94Å; V289-C294 WeakPolarHBondContact CA-O 3.45Å; V289-P296 HydrophobicContact CG1-CG 4.08Å; V289-L315 HydrophobicContact CB-CD1 3.93Å; V289-L315 HydrophobicContact CG1-CD1 3.98Å; V289-A322 HydrophobicContact CG1-CB 3.86Å
290L90.5Very high88.9Confident2 Ų249.6 Ų49.61%0.0127%0.265CS..Hα-helixtrans-66.3-24.8178.4-76.5164.2000113.9P30 C35 V36 R246 L248 C286 G287 L315P30-L290 HydrophobicContact CB-CD2 4.48Å; C35-L290 HydrophobicContact CB-CD2 4.32Å; V36-L290 HydrophobicContact CG1-CD1 4.14Å; V36-L290 HydrophobicContact CG1-CD2 4.09Å; R246-L290 WeakPolarHBondContact O-CD1 3.36Å; L248-L290 HydrophobicContact CD2-CB 4.22Å; C286-L290 WeakPolarHBondContact O-CG 3.19Å; C286-L290 PolarHBondContact O-N 2.92Å; G287-L290 PolarHBondContact O-N 3.3Å; L290-L315 HydrophobicContact CD2-CD2 3.82Å; L290-L315 HydrophobicContact CG-CD1 4.2Å; L290-L315 HydrophobicContact CG-CD2 4.11Å; L290-L315 HydrophobicContact CG-CG 4.42Å
291T88.5Confident89.7Confident28 Ų2848.2 Ų48.217%0.17226%0.257CS..THydrogen-bonded Turntrans-102.10.9-179.653.20000113L148 L248 G287 E288 V289 K293L148-T291 HydrophobicContact CD1-CG2 3.88Å; L248-T291 HydrophobicContact CD2-CG2 3.36Å; G287-T291 WeakPolarHBondContact O-CB 3.34Å; G287-T291 WeakPolarHBondContact O-CG2 3.46Å; G287-T291 PolarHBondContact O-N 3.13Å; G287-T291 PolarHBondContact O-OG1 3.17Å; E288-T291 WeakPolarHBondContact CA-OG1 3.38Å; E288-T291 PolarHBondContact O-OG1 3.07Å; V289-T291 VanDerWaalsContact C-N 3.25Å; V289-T291 PolarHBondContact O-N 3.19Å; T291-K293 VanDerWaalsContact C-N 3.28Å; T291-K293 PolarHBondContact O-N 3.29Å
292G88.8Confident90.5Very high30 Ų3047.1 Ų47.131%0.30925%0.251SS..THydrogen-bonded Turntrans74.610.4-179.900000116E288 V289 C294E288-G292 CarbonylContact O-C 3.46Å; E288-G292 PolarHBondContact O-N 2.8Å; E288-G292 VanDerWaalsContact O-N 3.11Å; V289-G292 PolarHBondContact O-N 2.94Å; G292-C294 VanDerWaalsContact C-N 3.29Å
293K89.8Confident91Very high100 Ų10042.1 Ų42.144%0.43522%0.223SC..SBendtrans-73.9-21.6177.8-61.9-175.1-174.4-160.90112.8D153 E288 T291D153-K293 IonicContact OD1-NZ 3.45Å; D153-K293 PolarHBondContact OD1-NZ 3.16Å; D153-K293 WeakPolarHBondContact OD2-CE 3.39Å; D153-K293 IonicContact OD2-NZ 3.75Å; D153-K293 PolarHBondContact OD2-NZ 3.41Å; E288-K293 HydrophobicContact CB-CB 4.01Å; E288-K293 HydrophobicContact CG-CB 4.39Å; E288-K293 PolarHBondContact O-N 3.2Å; T291-K293 VanDerWaalsContact C-N 3.28Å; T291-K293 PolarHBondContact O-N 3.29Å
294C91.6Very high91.2Very high7 Ų741 Ų415%0.04723%0.228CC..SBendtrans-151.6165.2171.777.80000112.2E288 V289 G292 Q298E288-C294 HydrophobicContact CB-CB 4.41Å; E288-C294 VanDerWaalsContact CB-SG 3.56Å; E288-C294 PolarHBondContact O-N 3.2Å; V289-C294 WeakPolarHBondContact CA-O 3.45Å; G292-C294 VanDerWaalsContact C-N 3.29Å; C294-Q298 HydrophobicContact CB-CB 4.17Å; C294-Q298 VanDerWaalsContact CB-OE1 3.26Å
295K91.7Very high91.3Very high40 Ų4043 Ų4317%0.17424%0.238CC..  trans-89.6157170.9-61.9-60.9-171.4-167.70111.3E25 F26 H297 Q298 W326E25-K295 WeakPolarHBondContact OE1-CE 3.47Å; E25-K295 IonicContact OE1-NZ 3.01Å; E25-K295 PolarHBondContact OE1-NZ 3.26Å; F26-K295 PolarHBondContact O-NZ 3.11Å; K295-H297 VanDerWaalsContact C-N 3.3Å; K295-H297 WeakPolarHBondContact CB-CE1 3.4Å; K295-H297 WeakPolarHBondContact CB-ND1 3.47Å; K295-H297 PolarHBondContact O-N 3.4Å; K295-Q298 HydrophobicContact CB-CG 4.27Å; K295-Q298 WeakPolarHBondContact O-CB 2.94Å; K295-Q298 PolarHBondContact O-N 3.31Å; K295-W326 HydrophobicContact CB-CH2 4.33Å; K295-W326 HydrophobicContact CB-CZ3 4.27Å; K295-W326 HydrophobicContact CD-CH2 4.5Å; K295-W326 HydrophobicContact CD-CZ3 4.05Å; K295-W326 HydrophobicContact CG-CH2 4.4Å; K295-W326 HydrophobicContact CG-CZ3 4.37Å
296P93Very high91.3Very high5 Ų540.2 Ų40.23%0.03223%0.229CC..G310 helixtrans-48.9-44.7176.8-31.336.7000115V289 Q298 C299 F302 A322 C323 W326V289-P296 HydrophobicContact CG1-CG 4.08Å; P296-Q298 PolarHBondContact O-N 3.03Å; P296-C299 VanDerWaalsContact O-CB 3.3Å; P296-C299 WeakPolarHBondContact O-CB 3.38Å; P296-C299 PolarHBondContact O-N 2.96Å; P296-C299 VanDerWaalsContact O-N 3.09Å; P296-F302 HydrophobicContact CB-CD2 3.9Å; P296-F302 HydrophobicContact CB-CE2 3.72Å; P296-F302 HydrophobicContact CB-CG 4.48Å; P296-F302 HydrophobicContact CB-CZ 4.18Å; P296-F302 WeakPolarHBondContact O-CB 3.5Å; P296-F302 VanDerWaalsContact O-CG 3.3Å; P296-F302 WeakPolarHBondContact O-CG 3.38Å; P296-A322 HydrophobicContact CG-CB 4.15Å; P296-C323 HydrophobicContact CB-CB 4.44Å; P296-W326 HydrophobicContact CB-CB 3.89Å; P296-W326 HydrophobicContact CB-CD2 4.18Å; P296-W326 HydrophobicContact CB-CE3 4.46Å; P296-W326 HydrophobicContact CB-CG 3.9Å; P296-W326 HydrophobicContact CG-CB 3.91Å; P296-W326 HydrophobicContact CG-CD2 4.14Å; P296-W326 HydrophobicContact CG-CE3 3.95Å; P296-W326 HydrophobicContact CG-CG 4.14Å
297H91.7Very high91.4Very high76 Ų7640.6 Ų40.635%0.35223%0.23SC..G310 helixtrans-67.3-16.9-179.469.3-90.2000114K295 C299 W326K295-H297 VanDerWaalsContact C-N 3.3Å; K295-H297 WeakPolarHBondContact CB-CE1 3.4Å; K295-H297 WeakPolarHBondContact CB-ND1 3.47Å; K295-H297 PolarHBondContact O-N 3.4Å; H297-C299 VanDerWaalsContact C-N 3.26Å; H297-W326 HydrophobicContact CB-CZ2 4.44Å; H297-W326 AromaticContact CE1-CH2 3.81Å; H297-W326 AromaticContact CE1-CZ2 3.68Å; H297-W326 AromaticContact CG-CZ2 3.97Å; H297-W326 AromaticContact ND1-CE2 3.54Å; H297-W326 AromaticContact ND1-CH2 3.46Å; H297-W326 WeakPolarHBondContact ND1-CH2 3.33Å; H297-W326 AromaticContact ND1-CZ2 3.01Å; H297-W326 WeakPolarHBondContact ND1-CZ2 3.44Å
298Q92.9Very high91.3Very high95 Ų9542.6 Ų42.644%0.44424%0.24SC..G310 helixtrans-83.9-3.3176.2-58.6176.9-46.200112.3R285 C294 K295 P296R285-Q298 PolarHBondContact NH1-O 2.94Å; C294-Q298 HydrophobicContact CB-CB 4.17Å; C294-Q298 VanDerWaalsContact CB-OE1 3.26Å; K295-Q298 HydrophobicContact CB-CG 4.27Å; K295-Q298 WeakPolarHBondContact O-CB 2.94Å; K295-Q298 PolarHBondContact O-N 3.31Å; P296-Q298 PolarHBondContact O-N 3.03Å
299C93.2Very high91.1Very high14 Ų1448.1 Ų48.110%0.09527%0.266CS..SBendtrans-84.7124.2171.8179.70000110R285 P296 H297 L301 F302R285-C299 HydrophobicContact CB-CB 4.14Å; P296-C299 VanDerWaalsContact O-CB 3.3Å; P296-C299 WeakPolarHBondContact O-CB 3.38Å; P296-C299 PolarHBondContact O-N 2.96Å; P296-C299 VanDerWaalsContact O-N 3.09Å; H297-C299 VanDerWaalsContact C-N 3.26Å; C299-L301 PolarHBondContact O-N 3.26Å; C299-L301 VanDerWaalsContact O-N 3.09Å; C299-F302 HydrophobicContact CB-CB 4.07Å; C299-F302 WeakPolarHBondContact O-CB 3.36Å; C299-F302 PolarHBondContact O-N 2.98Å
300P92.1Very high90.9Very high84 Ų8451.5 Ų51.555%0.54529%0.286SS..THydrogen-bonded Turntrans-63.6-21.6-176.425.6-35000113.8N304P300-N304 PolarHBondContact O-ND2 2.86Å
301L92.7Very high90.8Very high10 Ų1052.5 Ų52.55%0.05230%0.295CS..THydrogen-bonded Turntrans-83.6-20.7178.1-54.9-176.7000112.9R283 A284 C299 G303 N304 T305 C306R283-L301 HydrophobicContact CB-CD1 4.21Å; R283-L301 HydrophobicContact CB-CD2 4.16Å; R283-L301 HydrophobicContact CB-CG 4.28Å; A284-L301 HydrophobicContact CB-CD1 3.88Å; C299-L301 PolarHBondContact O-N 3.26Å; C299-L301 VanDerWaalsContact O-N 3.09Å; L301-G303 PolarHBondContact O-N 2.79Å; L301-N304 PolarHBondContact O-N 2.98Å; L301-T305 PolarHBondContact O-N 3.21Å; L301-C306 HydrophobicContact CB-CB 4.03Å; L301-C306 WeakPolarHBondContact O-CA 3.34Å; L301-C306 VanDerWaalsContact O-CB 3.25Å; L301-C306 WeakPolarHBondContact O-CB 3.35Å; L301-C306 PolarHBondContact O-N 3.04Å
302F93.4Very high90.6Very high19 Ų1955 Ų558%0.08330%0.304CS..BIsolated β-bridgetrans-64.5132.4-172.6179.1-92.4000111.6P296 C299 N304 M316 C323 W326 Y327P296-F302 HydrophobicContact CB-CD2 3.9Å; P296-F302 HydrophobicContact CB-CE2 3.72Å; P296-F302 HydrophobicContact CB-CG 4.48Å; P296-F302 HydrophobicContact CB-CZ 4.18Å; P296-F302 WeakPolarHBondContact O-CB 3.5Å; P296-F302 VanDerWaalsContact O-CG 3.3Å; P296-F302 WeakPolarHBondContact O-CG 3.38Å; C299-F302 HydrophobicContact CB-CB 4.07Å; C299-F302 WeakPolarHBondContact O-CB 3.36Å; C299-F302 PolarHBondContact O-N 2.98Å; F302-N304 PolarHBondContact O-N 2.93Å; F302-M316 HydrophobicContact CD2-CE 3.62Å; F302-M316 HydrophobicContact CE2-CE 3.47Å; F302-M316 VanDerWaalsContact CE2-CE 3.47Å; F302-M316 HydrophobicContact CZ-CE 4.37Å; F302-C323 HydrophobicContact CD2-CB 4.03Å; F302-C323 HydrophobicContact CE2-CB 3.83Å; F302-C323 VanDerWaalsContact CE2-O 3.3Å; F302-C323 WeakPolarHBondContact CE2-O 3.46Å; F302-W326 AromaticContact CE1-CD1 3.82Å; F302-W326 HydrophobicContact CE2-CB 4.41Å; F302-W326 HydrophobicContact CZ-CB 4.02Å; F302-W326 AromaticContact CZ-CD1 3.61Å; F302-W326 HydrophobicContact CZ-CG 4.06Å; F302-Y327 HydrophobicContact CZ-CD2 4.19Å
303G90.4Very high90.4Very high28 Ų2853.6 Ų53.629%0.28929%0.289SS..THydrogen-bonded Turntrans74-2817900000114.9L301 C306L301-G303 PolarHBondContact O-N 2.79Å; G303-C306 PolarHBondContact N-O 3.07Å
304N88.6Confident90.2Very high122 Ų12248.9 Ų48.965%0.65227%0.269SS*.THydrogen-bonded Turntrans-79.4-97174.5-64.4-44.1000110.3P300 L301 F302 N307P300-N304 PolarHBondContact O-ND2 2.86Å; L301-N304 PolarHBondContact O-N 2.98Å; F302-N304 PolarHBondContact O-N 2.93Å; N304-N307 PolarHBondContact O-ND2 3.06Å
305T90.9Very high90.2Very high67 Ų6748.7 Ų48.741%0.41127%0.267SS..THydrogen-bonded Turntrans-80.5-26-178.856.50000112.7L301 T310 F312L301-T305 PolarHBondContact O-N 3.21Å; T305-T310 PolarHBondContact O-OG1 3.39Å; T305-F312 WeakPolarHBondContact O-CD2 3.28Å; T305-F312 VanDerWaalsContact O-CE2 3.27Å; T305-F312 WeakPolarHBondContact O-CE2 3.3Å
306C92.2Very high90.3Very high12 Ų1247 Ų478%0.08126%0.26CS..BIsolated β-bridgetrans-102.5104.3175.3-172.30000110L301 G303 T310 F312 M316L301-C306 HydrophobicContact CB-CB 4.03Å; L301-C306 WeakPolarHBondContact O-CA 3.34Å; L301-C306 VanDerWaalsContact O-CB 3.25Å; L301-C306 WeakPolarHBondContact O-CB 3.35Å; L301-C306 PolarHBondContact O-N 3.04Å; G303-C306 PolarHBondContact N-O 3.07Å; C306-T310 WeakPolarHBondContact CA-O 3.38Å; C306-F312 HydrophobicContact CB-CB 4.16Å; C306-F312 HydrophobicContact CB-CD2 4.08Å; C306-F312 HydrophobicContact CB-CG 4.45Å; C306-F312 PolarHBondContact SG-N 2.98Å; C306-F312 VanDerWaalsContact SG-N 3.42Å; C306-M316 WeakPolarHBondContact O-CE 3.11Å
307N92.4Very high90.2Very high26 Ų2647.3 Ų47.314%0.13926%0.262CS..SBendtrans-143.8174.5178.964.458.2000109.5N304 Q309 T310 A311 M316 Y327N304-N307 PolarHBondContact O-ND2 3.06Å; N307-Q309 PolarHBondContact O-N 3.26Å; N307-Q309 WeakPolarHBondContact OD1-CA 3.33Å; N307-Q309 WeakPolarHBondContact OD1-CB 3.5Å; N307-Q309 PolarHBondContact OD1-N 3.06Å; N307-T310 PolarHBondContact N-O 2.88Å; N307-T310 PolarHBondContact ND2-OG1 3.16Å; N307-T310 CarbonylContact O-C 3.59Å; N307-T310 PolarHBondContact O-N 3.18Å; N307-T310 VanDerWaalsContact O-N 3.13Å; N307-T310 PolarHBondContact OD1-N 3.18Å; N307-T310 PolarHBondContact OD1-OG1 3.06Å; N307-A311 WeakPolarHBondContact O-CA 3.34Å; N307-A311 PolarHBondContact O-N 3.39Å; N307-M316 VanDerWaalsContact C-CG 3.41Å; N307-M316 WeakPolarHBondContact O-CG 3.41Å; N307-Y327 HydrophobicContact CB-CE2 4.15Å
308P89.6Confident90.1Very high57 Ų5744 Ų4437%0.3725%0.248SC..SBendtrans-59.8-20.2-176.5-28.236.9000115.8M316 Y327P308-M316 HydrophobicContact CG-SD 3.96Å; P308-Y327 HydrophobicContact CG-CD1 3.68Å; P308-Y327 HydrophobicContact CG-CE1 3.87Å; P308-Y327 HydrophobicContact CG-CG 4.26Å
309Q87.1Confident89.8Confident184 Ų18443.3 Ų43.386%0.8625%0.253SS*.SBendtrans-89.1-36176.7-59.9178-3.100111.8N307N307-Q309 PolarHBondContact O-N 3.26Å; N307-Q309 WeakPolarHBondContact OD1-CA 3.33Å; N307-Q309 WeakPolarHBondContact OD1-CB 3.5Å; N307-Q309 PolarHBondContact OD1-N 3.06Å
310T88.4Confident89.6Confident75 Ų7546.1 Ų46.146%0.4627%0.265SS..SBendtrans-124.863.6179.857.70000111T305 C306 N307 F312T305-T310 PolarHBondContact O-OG1 3.39Å; C306-T310 WeakPolarHBondContact CA-O 3.38Å; N307-T310 PolarHBondContact N-O 2.88Å; N307-T310 PolarHBondContact ND2-OG1 3.16Å; N307-T310 CarbonylContact O-C 3.59Å; N307-T310 PolarHBondContact O-N 3.18Å; N307-T310 VanDerWaalsContact O-N 3.13Å; N307-T310 PolarHBondContact OD1-N 3.18Å; N307-T310 PolarHBondContact OD1-OG1 3.06Å; T310-F312 PolarHBondContact O-N 3.33Å
311A88.4Confident89.6Confident23 Ų2342.1 Ų42.119%0.1924%0.239CC..  trans-72.6121-177.600000111.2N307 M316 V317N307-A311 WeakPolarHBondContact O-CA 3.34Å; N307-A311 PolarHBondContact O-N 3.39Å; A311-M316 HydrophobicContact CB-CB 3.96Å; A311-M316 HydrophobicContact CB-CG 3.98Å; A311-V317 HydrophobicContact CB-CG2 3.39Å
312F83.9Confident89.6Confident81 Ų8141.8 Ų41.836%0.35524%0.238SC..SBendtrans-79.2-38.8172.4-85.4-110.5000111.7R246 D281 T305 C306 T310R246-F312 PolarHBondContact NH2-O 2.87Å; D281-F312 HydrophobicContact CB-CD1 4.39Å; T305-F312 WeakPolarHBondContact O-CD2 3.28Å; T305-F312 VanDerWaalsContact O-CE2 3.27Å; T305-F312 WeakPolarHBondContact O-CE2 3.3Å; C306-F312 HydrophobicContact CB-CB 4.16Å; C306-F312 HydrophobicContact CB-CD2 4.08Å; C306-F312 HydrophobicContact CB-CG 4.45Å; C306-F312 PolarHBondContact SG-N 2.98Å; C306-F312 VanDerWaalsContact SG-N 3.42Å; T310-F312 PolarHBondContact O-N 3.33Å
313G83.6Confident89.6Confident1 Ų141.3 Ų41.31%0.0124%0.237CC..SBendtrans-119.3154.6-176.900000112.8L315 M316G313-L315 PolarHBondContact O-N 3.45Å; G313-M316 PolarHBondContact O-N 3.24Å; G313-M316 VanDerWaalsContact O-N 3.13Å
314A86.2Confident89.8Confident1 Ų140.6 Ų40.61%0.00823%0.228CC..Hα-helixtrans-64.4-24.7-178.700000113.8V34 V65 M316 V317 S318V34-A314 WeakPolarHBondContact O-CB 3.36Å; V65-A314 HydrophobicContact CG1-CB 4.12Å; A314-M316 PolarHBondContact O-N 3.48Å; A314-V317 PolarHBondContact O-N 2.91Å; A314-S318 PolarHBondContact O-N 3.48Å
315L91.5Very high90Very high2 Ų234.8 Ų34.81%0.0120%0.197CC..Hα-helixtrans-57.5-26.5172.6-74.8171.8000114.2C35 C286 V289 L290 G313 G321 C323 A324C35-L315 HydrophobicContact CB-CD2 3.88Å; C35-L315 HydrophobicContact CB-CG 4.48Å; C286-L315 HydrophobicContact CB-CD1 3.84Å; C286-L315 WeakPolarHBondContact O-CD1 3.42Å; V289-L315 HydrophobicContact CB-CD1 3.93Å; V289-L315 HydrophobicContact CG1-CD1 3.98Å; L290-L315 HydrophobicContact CD2-CD2 3.82Å; L290-L315 HydrophobicContact CG-CD1 4.2Å; L290-L315 HydrophobicContact CG-CD2 4.11Å; L290-L315 HydrophobicContact CG-CG 4.42Å; G313-L315 PolarHBondContact O-N 3.45Å; L315-G321 CarbonylContact O-C 3.58Å; L315-G321 WeakPolarHBondContact O-CA 3.48Å; L315-C323 HydrophobicContact CB-CB 3.95Å; L315-C323 WeakPolarHBondContact O-CB 3.21Å; L315-C323 PolarHBondContact O-N 3.19Å; L315-A324 PolarHBondContact O-N 3.04Å
316M93.4Very high90Very high4 Ų432.9 Ų32.92%0.0218%0.182CC..Hα-helixtrans-92-17.9177-175.858.878.500112.1F302 C306 N307 P308 A311 G313 A314 C323 Y327F302-M316 HydrophobicContact CD2-CE 3.62Å; F302-M316 HydrophobicContact CE2-CE 3.47Å; F302-M316 VanDerWaalsContact CE2-CE 3.47Å; F302-M316 HydrophobicContact CZ-CE 4.37Å; C306-M316 WeakPolarHBondContact O-CE 3.11Å; N307-M316 VanDerWaalsContact C-CG 3.41Å; N307-M316 WeakPolarHBondContact O-CG 3.41Å; P308-M316 HydrophobicContact CG-SD 3.96Å; A311-M316 HydrophobicContact CB-CB 3.96Å; A311-M316 HydrophobicContact CB-CG 3.98Å; G313-M316 PolarHBondContact O-N 3.24Å; G313-M316 VanDerWaalsContact O-N 3.13Å; A314-M316 PolarHBondContact O-N 3.48Å; M316-C323 HydrophobicContact CB-CB 4.3Å; M316-C323 HydrophobicContact CE-CB 3.92Å; M316-C323 HydrophobicContact SD-CB 4.5Å; M316-Y327 HydrophobicContact CE-CD2 4.19Å; M316-Y327 HydrophobicContact CE-CG 4.38Å; M316-Y327 HydrophobicContact SD-CG 4.43Å
317V91.2Very high90Very high12 Ų1234.8 Ų34.87%0.07319%0.188CC..Hα-helixtrans-84.9-44.7-179.71770000111.8R64 V65 A311 A314R64-V317 HydrophobicContact CB-CG1 3.65Å; V65-V317 HydrophobicContact CG2-CG1 4.2Å; A311-V317 HydrophobicContact CB-CG2 3.39Å; A314-V317 PolarHBondContact O-N 2.91Å
318S90.8Very high89.9Confident7 Ų739.2 Ų39.25%0.04921%0.208CC..SBendtrans-72131.9-177.9179.90000110.4C32 A314 E320 G321 A324C32-S318 PolarHBondContact SG-OG 3.37Å; A314-S318 PolarHBondContact O-N 3.48Å; S318-E320 PolarHBondContact O-N 3.11Å; S318-E320 PolarHBondContact OG-N 2.96Å; S318-G321 PolarHBondContact O-N 2.95Å; S318-G321 PolarHBondContact OG-N 3.17Å; S318-A324 WeakPolarHBondContact O-CB 3.34Å
319S86.5Confident89.9Confident81 Ų8139.6 Ų39.657%0.56620%0.203SC*.THydrogen-bonded Turntrans-63.2-19.3171.450.10000113.3H9H9-S319 PolarHBondContact ND1-O 3.21Å; H9-S319 VanDerWaalsContact ND1-O 3.14Å
320E88.1Confident89.6Confident72 Ų7231.5 Ų31.534%0.33616%0.164SC..THydrogen-bonded Turntrans-96.1-0.8174.5-66.3-170.1174.400112.8G5 G6 C32 S318G5-E320 WeakPolarHBondContact CA-O 3.48Å; G6-E320 PolarHBondContact N-OE2 3.11Å; C32-E320 HydrophobicContact CB-CB 4.48Å; S318-E320 PolarHBondContact O-N 3.11Å; S318-E320 PolarHBondContact OG-N 2.96Å
321G92.2Very high88.5Confident0 Ų031.8 Ų31.80%016%0.16CC..SBendtrans-77.3137.5177.700000111.7C35 L315 S318 C323 A324 A325C35-G321 WeakPolarHBondContact SG-CA 3.44Å; L315-G321 CarbonylContact O-C 3.58Å; L315-G321 WeakPolarHBondContact O-CA 3.48Å; S318-G321 PolarHBondContact O-N 2.95Å; S318-G321 PolarHBondContact OG-N 3.17Å; G321-C323 PolarHBondContact O-N 3Å; G321-A324 PolarHBondContact O-N 3.27Å; G321-A324 VanDerWaalsContact O-N 3.15Å; G321-A325 PolarHBondContact O-N 3.33Å
322A92.8Very high87.1Confident3 Ų339 Ų393%0.02519%0.19CC..Hα-helixtrans-54.5-38.5-179.500000113.3T8 H28 V289 P296 W326T8-A322 HydrophobicContact CG2-CB 4.33Å; H28-A322 HydrophobicContact CB-CB 3.74Å; V289-A322 HydrophobicContact CG1-CB 3.86Å; P296-A322 HydrophobicContact CG-CB 4.15Å; A322-W326 WeakPolarHBondContact O-CB 3.44Å; A322-W326 PolarHBondContact O-N 2.87Å
323C94.3Very high85.8Confident9 Ų939.7 Ų39.76%0.06119%0.194CC..Hα-helixtrans-69.7-43.9179.3-62.60000111.9P296 F302 L315 M316 G321 W326 Y327P296-C323 HydrophobicContact CB-CB 4.44Å; F302-C323 HydrophobicContact CD2-CB 4.03Å; F302-C323 HydrophobicContact CE2-CB 3.83Å; F302-C323 VanDerWaalsContact CE2-O 3.3Å; F302-C323 WeakPolarHBondContact CE2-O 3.46Å; L315-C323 HydrophobicContact CB-CB 3.95Å; L315-C323 WeakPolarHBondContact O-CB 3.21Å; L315-C323 PolarHBondContact O-N 3.19Å; M316-C323 HydrophobicContact CB-CB 4.3Å; M316-C323 HydrophobicContact CE-CB 3.92Å; M316-C323 HydrophobicContact SD-CB 4.5Å; G321-C323 PolarHBondContact O-N 3Å; C323-W326 PolarHBondContact O-N 3.18Å; C323-Y327 VanDerWaalsContact O-CB 3.26Å; C323-Y327 WeakPolarHBondContact O-CB 3.42Å; C323-Y327 PolarHBondContact O-N 2.88Å
324A93.7Very high84.2Confident14 Ų1443.5 Ų43.512%0.11622%0.215CC..Hα-helixtrans-63.6-44.1177.400000111.5L315 S318 G321 Y327 Q328L315-A324 PolarHBondContact O-N 3.04Å; S318-A324 WeakPolarHBondContact O-CB 3.34Å; G321-A324 PolarHBondContact O-N 3.27Å; G321-A324 VanDerWaalsContact O-N 3.15Å; A324-Y327 PolarHBondContact O-N 3.44Å; A324-Q328 WeakPolarHBondContact O-CB 3.11Å; A324-Q328 PolarHBondContact O-N 3.12Å
325A92.3Very high82.1Confident0 Ų051.3 Ų51.30%025%0.251CS..Hα-helixtrans-62.7-46.6176.900000111.5F12 G321 Y327 Q328 Y329F12-A325 HydrophobicContact CB-CB 4.24Å; F12-A325 HydrophobicContact CD2-CB 3.65Å; F12-A325 HydrophobicContact CE2-CB 4.38Å; F12-A325 HydrophobicContact CG-CB 4.13Å; G321-A325 PolarHBondContact O-N 3.33Å; A325-Y327 PolarHBondContact O-N 3.38Å; A325-Q328 PolarHBondContact O-N 3.34Å; A325-Y329 WeakPolarHBondContact O-CD2 3.34Å; A325-Y329 PolarHBondContact O-N 2.74Å
326W91.8Very high79.6Confident26 Ų2658.3 Ų58.310%0.09831%0.309CS..Hα-helixtrans-60-45.7175.6-166.3-67.3000111.5F12 K295 P296 H297 F302 A322 C323 Q328 Y329 R330 Q331F12-W326 HydrophobicContact CE1-CD2 4.36Å; F12-W326 AromaticContact CE1-CE3 3.67Å; F12-W326 HydrophobicContact CE1-CE3 3.67Å; F12-W326 HydrophobicContact CE1-CZ3 4.01Å; F12-W326 HydrophobicContact CZ-CD2 4.47Å; F12-W326 AromaticContact CZ-CE3 3.51Å; F12-W326 HydrophobicContact CZ-CE3 3.51Å; F12-W326 AromaticContact CZ-CZ3 3.93Å; F12-W326 HydrophobicContact CZ-CZ3 3.93Å; K295-W326 HydrophobicContact CB-CH2 4.33Å; K295-W326 HydrophobicContact CB-CZ3 4.27Å; K295-W326 HydrophobicContact CD-CH2 4.5Å; K295-W326 HydrophobicContact CD-CZ3 4.05Å; K295-W326 HydrophobicContact CG-CH2 4.4Å; K295-W326 HydrophobicContact CG-CZ3 4.37Å; P296-W326 HydrophobicContact CB-CB 3.89Å; P296-W326 HydrophobicContact CB-CD2 4.18Å; P296-W326 HydrophobicContact CB-CE3 4.46Å; P296-W326 HydrophobicContact CB-CG 3.9Å; P296-W326 HydrophobicContact CG-CB 3.91Å; P296-W326 HydrophobicContact CG-CD2 4.14Å; P296-W326 HydrophobicContact CG-CE3 3.95Å; P296-W326 HydrophobicContact CG-CG 4.14Å; H297-W326 HydrophobicContact CB-CZ2 4.44Å; H297-W326 AromaticContact CE1-CH2 3.81Å; H297-W326 AromaticContact CE1-CZ2 3.68Å; H297-W326 AromaticContact CG-CZ2 3.97Å; H297-W326 AromaticContact ND1-CE2 3.54Å; H297-W326 AromaticContact ND1-CH2 3.46Å; H297-W326 WeakPolarHBondContact ND1-CH2 3.33Å; H297-W326 AromaticContact ND1-CZ2 3.01Å; H297-W326 WeakPolarHBondContact ND1-CZ2 3.44Å; F302-W326 AromaticContact CE1-CD1 3.82Å; F302-W326 HydrophobicContact CE2-CB 4.41Å; F302-W326 HydrophobicContact CZ-CB 4.02Å; F302-W326 AromaticContact CZ-CD1 3.61Å; F302-W326 HydrophobicContact CZ-CG 4.06Å; A322-W326 WeakPolarHBondContact O-CB 3.44Å; A322-W326 PolarHBondContact O-N 2.87Å; C323-W326 PolarHBondContact O-N 3.18Å; W326-Q328 VanDerWaalsContact C-N 3.3Å; W326-Q328 PolarHBondContact O-N 3.04Å; W326-Y329 PolarHBondContact O-N 3.29Å; W326-R330 HydrophobicContact CD2-CB 4.17Å; W326-R330 HydrophobicContact CD2-CG 4.28Å; W326-R330 HydrophobicContact CG-CB 4.03Å; W326-R330 HydrophobicContact CG-CG 4.4Å; W326-R330 HydrophobicContact CZ2-CB 4.46Å; W326-R330 CarbonylContact O-C 3.55Å; W326-R330 VanDerWaalsContact O-CA 3.31Å; W326-R330 WeakPolarHBondContact O-CA 3.37Å; W326-R330 VanDerWaalsContact O-CB 3.27Å; W326-R330 WeakPolarHBondContact O-CB 3.4Å; W326-R330 PolarHBondContact O-N 2.71Å; W326-Q331 PolarHBondContact O-N 3.42Å
327Y91.8Very high78.9Confident52 Ų5261 Ų6120%0.20432%0.323CS..Hα-helixtrans-61.5-41.4179.3-171.2-83.1000111.1F302 N307 P308 M316 C323 A324 A325 Q331F302-Y327 HydrophobicContact CZ-CD2 4.19Å; N307-Y327 HydrophobicContact CB-CE2 4.15Å; P308-Y327 HydrophobicContact CG-CD1 3.68Å; P308-Y327 HydrophobicContact CG-CE1 3.87Å; P308-Y327 HydrophobicContact CG-CG 4.26Å; M316-Y327 HydrophobicContact CE-CD2 4.19Å; M316-Y327 HydrophobicContact CE-CG 4.38Å; M316-Y327 HydrophobicContact SD-CG 4.43Å; C323-Y327 VanDerWaalsContact O-CB 3.26Å; C323-Y327 WeakPolarHBondContact O-CB 3.42Å; C323-Y327 PolarHBondContact O-N 2.88Å; A324-Y327 PolarHBondContact O-N 3.44Å; A325-Y327 PolarHBondContact O-N 3.38Å; Y327-Q331 VanDerWaalsContact O-CB 3.24Å; Y327-Q331 WeakPolarHBondContact O-CB 3.49Å
328Q90.4Very high78.2Confident120 Ų12063.6 Ų63.656%0.56134%0.336SS*.Hα-helixtrans-71.5-39.1-178.5-176.2174.3-7.500113.5A324 A325 W326A324-Q328 WeakPolarHBondContact O-CB 3.11Å; A324-Q328 PolarHBondContact O-N 3.12Å; A325-Q328 PolarHBondContact O-N 3.34Å; W326-Q328 VanDerWaalsContact C-N 3.3Å; W326-Q328 PolarHBondContact O-N 3.04Å
329Y89Confident77.5Confident65 Ų6566.7 Ų66.726%0.25535%0.352SS..Hα-helixtrans-111.5-11.4-167.9-60.6-67000114.6F12 K13 A325 W326F12-Y329 HydrophobicContact CB-CD2 3.73Å; F12-Y329 HydrophobicContact CB-CG 4.27Å; K13-Y329 HydrophobicContact CB-CE1 4.28Å; K13-Y329 HydrophobicContact CB-CE2 4.1Å; K13-Y329 HydrophobicContact CG-CE1 4.35Å; A325-Y329 WeakPolarHBondContact O-CD2 3.34Å; A325-Y329 PolarHBondContact O-N 2.74Å; W326-Y329 PolarHBondContact O-N 3.29Å
330R80.5Confident77Confident13 Ų1365.9 Ų65.95%0.04934%0.34CS..Hα-helixtrans-130.45.2-173.8-56.8-75.8173.3-91.3-0.4113.8F12 D17 W326 Q332 E333F12-R330 HydrophobicContact CD1-CG 3.83Å; F12-R330 HydrophobicContact CE1-CG 3.87Å; F12-R330 PolarHBondContact O-NH2 3.49Å; D17-R330 IonicContact OD1-CZ 3.31Å; D17-R330 IonicContact OD1-NH2 3.69Å; D17-R330 PolarHBondContact OD1-NH2 3.48Å; D17-R330 IonicContact OD2-CZ 2.99Å; D17-R330 IonicContact OD2-NE 2.83Å; D17-R330 PolarHBondContact OD2-NE 3.14Å; D17-R330 VanDerWaalsContact OD2-NE 3.08Å; D17-R330 IonicContact OD2-NH2 3.41Å; D17-R330 PolarHBondContact OD2-NH2 3.45Å; W326-R330 HydrophobicContact CD2-CB 4.17Å; W326-R330 HydrophobicContact CD2-CG 4.28Å; W326-R330 HydrophobicContact CG-CB 4.03Å; W326-R330 HydrophobicContact CG-CG 4.4Å; W326-R330 HydrophobicContact CZ2-CB 4.46Å; W326-R330 CarbonylContact O-C 3.55Å; W326-R330 VanDerWaalsContact O-CA 3.31Å; W326-R330 WeakPolarHBondContact O-CA 3.37Å; W326-R330 VanDerWaalsContact O-CB 3.27Å; W326-R330 WeakPolarHBondContact O-CB 3.4Å; W326-R330 PolarHBondContact O-N 2.71Å; R330-Q332 PolarHBondContact O-N 3.14Å; R330-E333 WeakPolarHBondContact CD-OE1 3.27Å; R330-E333 VanDerWaalsContact CD-OE2 3.31Å; R330-E333 WeakPolarHBondContact CD-OE2 3.47Å; R330-E333 PolarHBondContact O-N 3.11Å; R330-E333 VanDerWaalsContact O-N 3.14Å
331Q65.7Low76.3Confident81 Ų8165.5 Ų65.538%0.37934%0.34SS..G310 helixtrans-59.4-33.6-179.5-178.4175.89.100113.1W326 Y327 E333 N334W326-Q331 PolarHBondContact O-N 3.42Å; Y327-Q331 VanDerWaalsContact O-CB 3.24Å; Y327-Q331 WeakPolarHBondContact O-CB 3.49Å; Q331-E333 PolarHBondContact O-N 3.08Å; Q331-N334 PolarHBondContact O-N 3.16Å
332Q59.3Low75.2Confident176 Ų17669.9 Ų69.982%0.82236%0.363SS*.G310 helixtrans-67.6-16.2179.7-69-177.5-7.100114R330R330-Q332 PolarHBondContact O-N 3.14Å
333E56.5Low74Confident94 Ų9474.6 Ų74.644%0.43939%0.387SS..G310 helixtrans-81.6-22.1179.7-66.3173.918000112.7Q18 R330 Q331 E335Q18-E333 PolarHBondContact NE2-OE1 3.35Å; R330-E333 WeakPolarHBondContact CD-OE1 3.27Å; R330-E333 VanDerWaalsContact CD-OE2 3.31Å; R330-E333 WeakPolarHBondContact CD-OE2 3.47Å; R330-E333 PolarHBondContact O-N 3.11Å; R330-E333 VanDerWaalsContact O-N 3.14Å; Q331-E333 PolarHBondContact O-N 3.08Å; E333-E335 VanDerWaalsContact C-N 3.33Å
334N50.6Low72.4Confident81 Ų8179.7 Ų79.743%0.43341%0.412SS..THydrogen-bonded Turntrans-83.4-7.4-179.9-70.2-17.1000113.6Q331Q331-N334 PolarHBondContact O-N 3.16Å
335E42.3Very low70.6Confident166 Ų16685.2 Ų85.278%0.77644%0.437SS*.THydrogen-bonded Turntrans-90.5-3.4178.1-69.2-174.7170.100113.3E333E333-E335 VanDerWaalsContact C-N 3.33Å
336A37.7Very low68.7Low148 Ų14892.9 Ų92.9100%1.22348%0.476SS*.  trans-97.70177.500000112

Retrieved 336 of 336 residues in 70.1 ms (Link to these results)

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