A0A087XPP7_POEFO Loading...

F-box protein 3

AlphaFold DB , UniProt , Accession A0A087XPP7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 452 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
1M44.4Very low63.2Low244 Ų244120.5 Ų120.5100%1.20270%0.695SS**  097.90-75.2-168.7-97.400107.6A3M1-A3 PolarHBondContact O-N 3.11Å
2A45.5Very low64.9Low107 Ų107114 Ų11488%0.88466%0.655SS**  trans-76.7112.2171.100000106.7S4A2-S4 PolarHBondContact O-N 3.06Å
3A50.3Low66.8Low95 Ų95111.5 Ų111.579%0.78565%0.646SS**  trans-59.8122.3172.900000107.8M1 S5M1-A3 PolarHBondContact O-N 3.11Å; A3-S5 VanDerWaalsContact C-N 3.29Å; A3-S5 PolarHBondContact O-N 3.03Å
4S55.3Low68.5Low113 Ų113107.4 Ų107.479%0.7963%0.626SS**  trans-59.997.5164.7166.50000106.9A2 E6A2-S4 PolarHBondContact O-N 3.06Å; S4-E6 PolarHBondContact O-N 3.2Å; S4-E6 VanDerWaalsContact O-N 3.09Å
5S61.6Low70Confident94 Ų94108.7 Ų108.766%0.65763%0.63SS**  trans-62111.6170.953.40000107.2A3 L7A3-S5 VanDerWaalsContact C-N 3.29Å; A3-S5 PolarHBondContact O-N 3.03Å; S5-L7 PolarHBondContact O-N 3.06Å
6E66.2Low71.3Confident154 Ų154105.4 Ų105.472%0.7261%0.614SS**  trans-54.6114.7170.5-79.1-175.415600108.3S4 Q8S4-E6 PolarHBondContact O-N 3.2Å; S4-E6 VanDerWaalsContact O-N 3.09Å; E6-Q8 PolarHBondContact O-N 2.88Å
7L69.4Low72.4Confident137 Ų13799.4 Ų99.472%0.71758%0.578SS**  trans-73.396.3-179-127.6149000107.3S5 L12S5-L7 PolarHBondContact O-N 3.06Å; L7-L12 HydrophobicContact CD2-CD2 3.49Å; L7-L12 VanDerWaalsContact CD2-CD2 3.49Å; L7-L12 HydrophobicContact CD2-CG 4.24Å
8Q75.8Confident73.6Confident93 Ų9395.3 Ų95.344%0.43555%0.554SS.*  trans-80.8140.9178-62.3-172.4-15.600110.2E6 D10 Q11E6-Q8 PolarHBondContact O-N 2.88Å; Q8-D10 WeakPolarHBondContact CB-OD1 3.27Å; Q8-D10 PolarHBondContact O-N 2.85Å; Q8-Q11 HydrophobicContact CB-CG 4.14Å; Q8-Q11 WeakPolarHBondContact O-CB 3.49Å; Q8-Q11 PolarHBondContact O-N 3.3Å
9L74.6Confident74.5Confident97 Ų9795.9 Ų95.951%0.50855%0.551SS.*G310 helixtrans-58.4-36.1-174.9-169.873000111.8Q11 L12 L17L9-Q11 PolarHBondContact O-N 3.19Å; L9-L12 HydrophobicContact CD1-CD1 3.88Å; L9-L12 PolarHBondContact O-N 2.99Å; L9-L17 HydrophobicContact CD1-CD2 3.91Å; L9-L17 HydrophobicContact CG-CD2 3.84Å; L9-L17 WeakPolarHBondContact O-CD2 3.46Å
10D71.1Confident75.4Confident74 Ų7494.6 Ų94.640%0.39654%0.544SS..G310 helixtrans-70-14.4178.166.4-31000114.4Q8 R38Q8-D10 WeakPolarHBondContact CB-OD1 3.27Å; Q8-D10 PolarHBondContact O-N 2.85Å; D10-R38 PolarHBondContact O-NH1 2.88Å
11Q80.7Confident76.2Confident117 Ų11790.4 Ų90.455%0.54752%0.52SS..G310 helixtrans-92.2-12.6178-61.4-179.37.500113.3Q8 L9Q8-Q11 HydrophobicContact CB-CG 4.14Å; Q8-Q11 WeakPolarHBondContact O-CB 3.49Å; Q8-Q11 PolarHBondContact O-N 3.3Å; L9-Q11 PolarHBondContact O-N 3.19Å
12L84.4Confident78.5Confident43 Ų4380.8 Ų80.823%0.22548%0.477CS..SBendtrans-61.9150.8176.2-73.3176.3000111.7L7 L9 L17 R38L7-L12 HydrophobicContact CD2-CD2 3.49Å; L7-L12 VanDerWaalsContact CD2-CD2 3.49Å; L7-L12 HydrophobicContact CD2-CG 4.24Å; L9-L12 HydrophobicContact CD1-CD1 3.88Å; L9-L12 PolarHBondContact O-N 2.99Å; L12-L17 HydrophobicContact CB-CD1 3.99Å; L12-L17 HydrophobicContact CB-CD2 4.13Å; L12-L17 HydrophobicContact CB-CG 3.69Å; L12-L17 HydrophobicContact CD1-CD2 4.05Å; L12-L17 HydrophobicContact CD1-CG 4.37Å; L12-L17 WeakPolarHBondContact O-CD1 3.37Å; L12-R38 VanDerWaalsContact O-CZ 3.29Å; L12-R38 PolarHBondContact O-NH1 2.75Å; L12-R38 PolarHBondContact O-NH2 3.33Å
13P89.6Confident80.8Confident82 Ų8283.3 Ų83.353%0.53247%0.465SS..  trans-60.6161.2169.6-19.931.6000112D15 P16 L17P13-D15 PolarHBondContact O-N 3.27Å; P13-P16 HydrophobicContact CB-CG 4.33Å; P13-P16 HydrophobicContact CG-CG 4.48Å; P13-P16 WeakPolarHBondContact O-CD 3.48Å; P13-L17 PolarHBondContact O-N 2.92Å
14S90.5Very high82.9Confident53 Ų5381.1 Ų81.137%0.37144%0.439SS..Hα-helixtrans-62.8-39.2-176.3-60.50000113.2L17 L18S14-L17 PolarHBondContact O-N 3.5Å; S14-L18 WeakPolarHBondContact O-CB 3.16Å; S14-L18 VanDerWaalsContact O-CG 3.27Å; S14-L18 WeakPolarHBondContact O-CG 3.27Å; S14-L18 PolarHBondContact O-N 2.9Å
15D90.3Very high84.7Confident127 Ų12778 Ų7868%0.67942%0.417SS*.Hα-helixtrans-67.3-47.8-175.7-59.1-25.4000113.2P13 L17 L18 H19P13-D15 PolarHBondContact O-N 3.27Å; D15-L17 VanDerWaalsContact C-N 3.29Å; D15-L17 PolarHBondContact O-N 2.9Å; D15-L18 PolarHBondContact O-N 2.83Å; D15-H19 PolarHBondContact O-N 2.64Å
16P90.9Very high86.2Confident57 Ų5774.6 Ų74.637%0.3739%0.391SS..Hα-helixtrans-58.1-39.6171.4-2635.2000113P13 H19 V20P13-P16 HydrophobicContact CB-CG 4.33Å; P13-P16 HydrophobicContact CG-CG 4.48Å; P13-P16 WeakPolarHBondContact O-CD 3.48Å; P16-H19 WeakPolarHBondContact O-CB 3.22Å; P16-H19 PolarHBondContact O-N 3.34Å; P16-V20 WeakPolarHBondContact O-CG2 3.33Å; P16-V20 PolarHBondContact O-N 3.47Å
17L90.6Very high87.6Confident2 Ų273.6 Ų73.61%0.0138%0.38CS..Hα-helixtrans-65.5-45.1177.2-79170.9000112.3L9 L12 P13 S14 D15 H19 V20 L21 L42L9-L17 HydrophobicContact CD1-CD2 3.91Å; L9-L17 HydrophobicContact CG-CD2 3.84Å; L9-L17 WeakPolarHBondContact O-CD2 3.46Å; L12-L17 HydrophobicContact CB-CD1 3.99Å; L12-L17 HydrophobicContact CB-CD2 4.13Å; L12-L17 HydrophobicContact CB-CG 3.69Å; L12-L17 HydrophobicContact CD1-CD2 4.05Å; L12-L17 HydrophobicContact CD1-CG 4.37Å; L12-L17 WeakPolarHBondContact O-CD1 3.37Å; P13-L17 PolarHBondContact O-N 2.92Å; S14-L17 PolarHBondContact O-N 3.5Å; D15-L17 VanDerWaalsContact C-N 3.29Å; D15-L17 PolarHBondContact O-N 2.9Å; L17-H19 VanDerWaalsContact C-N 3.25Å; L17-H19 PolarHBondContact O-N 3.32Å; L17-V20 PolarHBondContact O-N 3.18Å; L17-L21 WeakPolarHBondContact O-CB 3.34Å; L17-L21 VanDerWaalsContact O-CG 3.23Å; L17-L21 WeakPolarHBondContact O-CG 3.31Å; L17-L21 PolarHBondContact O-N 2.84Å; L17-L42 HydrophobicContact CB-CD1 4.08Å; L17-L42 HydrophobicContact CD1-CD1 3.87Å
18L93.2Very high88.8Confident26 Ų2670.3 Ų70.314%0.13636%0.364CS..Hα-helixtrans-61.5-37.2175.5-73.1172.6000111.4S14 D15 L21 S22 L42 H45 L48S14-L18 WeakPolarHBondContact O-CB 3.16Å; S14-L18 VanDerWaalsContact O-CG 3.27Å; S14-L18 WeakPolarHBondContact O-CG 3.27Å; S14-L18 PolarHBondContact O-N 2.9Å; D15-L18 PolarHBondContact O-N 2.83Å; L18-L21 PolarHBondContact O-N 2.88Å; L18-S22 WeakPolarHBondContact O-CB 3.28Å; L18-S22 PolarHBondContact O-N 2.87Å; L18-L42 HydrophobicContact CD1-CD2 4.46Å; L18-L42 HydrophobicContact CD2-CB 4.25Å; L18-L42 HydrophobicContact CD2-CD2 4.11Å; L18-L42 HydrophobicContact CG-CD2 4.17Å; L18-H45 HydrophobicContact CD2-CB 3.5Å; L18-H45 VanDerWaalsContact CD2-CB 3.5Å; L18-L48 HydrophobicContact CD2-CD1 4Å; L18-L48 HydrophobicContact CD2-CG 4.44Å; L18-L48 WeakPolarHBondContact O-CD2 3.4Å
19H91.8Very high89.7Confident108 Ų10866 Ų6650%0.534%0.343SS..Hα-helixtrans-63-46.8173.6-173.757.4000111.7D15 P16 L17 L21 S22 Y23D15-H19 PolarHBondContact O-N 2.64Å; P16-H19 WeakPolarHBondContact O-CB 3.22Å; P16-H19 PolarHBondContact O-N 3.34Å; L17-H19 VanDerWaalsContact C-N 3.25Å; L17-H19 PolarHBondContact O-N 3.32Å; H19-L21 PolarHBondContact O-N 3.09Å; H19-S22 WeakPolarHBondContact O-CB 3.41Å; H19-S22 PolarHBondContact O-N 2.87Å; H19-S22 VanDerWaalsContact O-N 3.17Å; H19-S22 PolarHBondContact O-OG 3.04Å; H19-Y23 AromaticContact CE1-CE2 3.63Å; H19-Y23 AromaticContact CE1-CZ 3.81Å; H19-Y23 PolarHBondContact CE1-OH 3.32Å; H19-Y23 AromaticContact NE2-CE2 3.63Å; H19-Y23 AromaticContact NE2-CZ 3.97Å; H19-Y23 PolarHBondContact NE2-OH 2.84Å; H19-Y23 WeakPolarHBondContact O-CD2 3.27Å; H19-Y23 WeakPolarHBondContact O-CE2 3.42Å
20V91.8Very high90.5Very high68 Ų6863.6 Ų63.641%0.41233%0.333SS..Hα-helixtrans-59.2-48.8174.6171.40000111.3P16 L17 S22 Y23P16-V20 WeakPolarHBondContact O-CG2 3.33Å; P16-V20 PolarHBondContact O-N 3.47Å; L17-V20 PolarHBondContact O-N 3.18Å; V20-S22 PolarHBondContact O-N 2.9Å; V20-Y23 PolarHBondContact O-N 3.11Å
21L92.8Very high91.6Very high7 Ų765.5 Ų65.54%0.03734%0.339CS..Hα-helixtrans-60.7-27.4178.6-67.5176.9000112.2L17 L18 H19 Y23 L24 L29 C32 L42 L48L17-L21 WeakPolarHBondContact O-CB 3.34Å; L17-L21 VanDerWaalsContact O-CG 3.23Å; L17-L21 WeakPolarHBondContact O-CG 3.31Å; L17-L21 PolarHBondContact O-N 2.84Å; L18-L21 PolarHBondContact O-N 2.88Å; H19-L21 PolarHBondContact O-N 3.09Å; L21-Y23 PolarHBondContact O-N 2.83Å; L21-L24 HydrophobicContact CD2-CD1 3.58Å; L21-L24 WeakPolarHBondContact O-CB 3.32Å; L21-L24 PolarHBondContact O-N 2.81Å; L21-L24 VanDerWaalsContact O-N 3.08Å; L21-L29 HydrophobicContact CB-CD2 3.91Å; L21-L29 HydrophobicContact CD2-CD2 4.23Å; L21-L29 WeakPolarHBondContact O-CD2 3.18Å; L21-C32 HydrophobicContact CD2-CB 4.38Å; L21-L42 HydrophobicContact CD1-CB 3.92Å; L21-L48 HydrophobicContact CB-CD1 3.96Å; L21-L48 HydrophobicContact CB-CD2 4.19Å; L21-L48 HydrophobicContact CD1-CD1 4.26Å
22S92.9Very high92.1Very high43 Ų4361.3 Ų61.330%0.30132%0.322SS..THydrogen-bonded Turntrans-65.9-18.3179.781.10000114.6L18 H19 V20L18-S22 WeakPolarHBondContact O-CB 3.28Å; L18-S22 PolarHBondContact O-N 2.87Å; H19-S22 WeakPolarHBondContact O-CB 3.41Å; H19-S22 PolarHBondContact O-N 2.87Å; H19-S22 VanDerWaalsContact O-N 3.17Å; H19-S22 PolarHBondContact O-OG 3.04Å; V20-S22 PolarHBondContact O-N 2.9Å
23Y93Very high92.5Very high160 Ų16060.3 Ų60.363%0.62732%0.319SS*.THydrogen-bonded Turntrans-87-12.7175.2-65.2-78.7000113.4H19 V20 L21H19-Y23 AromaticContact CE1-CE2 3.63Å; H19-Y23 AromaticContact CE1-CZ 3.81Å; H19-Y23 PolarHBondContact CE1-OH 3.32Å; H19-Y23 AromaticContact NE2-CE2 3.63Å; H19-Y23 AromaticContact NE2-CZ 3.97Å; H19-Y23 PolarHBondContact NE2-OH 2.84Å; H19-Y23 WeakPolarHBondContact O-CD2 3.27Å; H19-Y23 WeakPolarHBondContact O-CE2 3.42Å; V20-Y23 PolarHBondContact O-N 3.11Å; L21-Y23 PolarHBondContact O-N 2.83Å
24L94Very high92.6Very high48 Ų4865.2 Ų65.225%0.25133%0.328SS..SBendtrans-76.6151-175.3-64.7-172.7000112.8L21 D28 L29 H52L21-L24 HydrophobicContact CD2-CD1 3.58Å; L21-L24 WeakPolarHBondContact O-CB 3.32Å; L21-L24 PolarHBondContact O-N 2.81Å; L21-L24 VanDerWaalsContact O-N 3.08Å; L24-D28 HydrophobicContact CB-CB 4.05Å; L24-D28 HydrophobicContact CD1-CB 4.26Å; L24-D28 HydrophobicContact CD2-CB 4.3Å; L24-D28 HydrophobicContact CG-CB 4.44Å; L24-L29 HydrophobicContact CB-CD2 4.09Å; L24-L29 HydrophobicContact CB-CG 4Å; L24-L29 HydrophobicContact CD1-CD2 4.28Å; L24-H52 PolarHBondContact O-CE1 2.83Å; L24-H52 PolarHBondContact O-NE2 2.85Å
25S93.6Very high92.6Very high47 Ų4767.7 Ų67.733%0.32934%0.341SS..  trans-67159.9167.380.50000110.2R27 D28 L29S25-R27 PolarHBondContact O-N 3.42Å; S25-R27 PolarHBondContact OG-N 3.41Å; S25-D28 WeakPolarHBondContact CB-OD2 3.4Å; S25-D28 PolarHBondContact O-N 2.84Å; S25-D28 PolarHBondContact OG-N 2.85Å; S25-D28 VanDerWaalsContact OG-N 3.16Å; S25-D28 PolarHBondContact OG-OD2 3.08Å; S25-L29 WeakPolarHBondContact O-CG 3.33Å; S25-L29 PolarHBondContact O-N 2.93Å
26F94Very high92.6Very high24 Ų2463.7 Ų63.711%0.10532%0.323CS..Hα-helixtrans-60-31.5175.679-91.2000112.1V30 W49 H52 F75 F79 I86F26-V30 VanDerWaalsContact O-CG2 3.32Å; F26-V30 WeakPolarHBondContact O-CG2 3.34Å; F26-V30 PolarHBondContact O-N 3.29Å; F26-W49 HydrophobicContact CB-CH2 4.33Å; F26-W49 HydrophobicContact CB-CZ3 3.89Å; F26-H52 PolarHBondContact N-CE1 2.8Å; F26-F75 HydrophobicContact CB-CE1 4.31Å; F26-F75 HydrophobicContact CB-CZ 3.9Å; F26-F75 HydrophobicContact CD1-CZ 4.23Å; F26-F75 AromaticContact CD2-CE1 3.83Å; F26-F75 HydrophobicContact CD2-CE1 3.83Å; F26-F75 AromaticContact CD2-CZ 3.73Å; F26-F75 HydrophobicContact CD2-CZ 3.73Å; F26-F75 HydrophobicContact CE2-CE1 4.45Å; F26-F75 HydrophobicContact CE2-CZ 4.32Å; F26-F75 HydrophobicContact CG-CE1 4.18Å; F26-F75 AromaticContact CG-CZ 3.68Å; F26-F75 HydrophobicContact CG-CZ 3.68Å; F26-F79 HydrophobicContact CE2-CD2 4.36Å; F26-F79 AromaticContact CE2-CE2 3.7Å; F26-F79 HydrophobicContact CE2-CE2 3.7Å; F26-F79 HydrophobicContact CE2-CZ 4.33Å; F26-F79 HydrophobicContact CZ-CE2 4.04Å; F26-I86 HydrophobicContact CD1-CD1 4.24Å; F26-I86 HydrophobicContact CE1-CD1 3.59Å; F26-I86 HydrophobicContact CE2-CD1 4.26Å; F26-I86 HydrophobicContact CZ-CD1 3.6Å
27R94.3Very high92.6Very high132 Ų13269 Ų6950%0.49834%0.34SS..Hα-helixtrans-66.4-44.9177.1-66.6-176.1174.8-173.8-5.5110.7S25 V30 H31S25-R27 PolarHBondContact O-N 3.42Å; S25-R27 PolarHBondContact OG-N 3.41Å; R27-V30 WeakPolarHBondContact O-CB 3.34Å; R27-V30 PolarHBondContact O-N 3.13Å; R27-H31 VanDerWaalsContact O-CG 3.3Å; R27-H31 PolarHBondContact O-N 2.79Å
28D94.9Very high92.6Very high69 Ų6973.5 Ų73.537%0.36936%0.357SS..Hα-helixtrans-68.5-37178.9-56.4-42.1000111.2L24 S25 V30 H31 C32L24-D28 HydrophobicContact CB-CB 4.05Å; L24-D28 HydrophobicContact CD1-CB 4.26Å; L24-D28 HydrophobicContact CD2-CB 4.3Å; L24-D28 HydrophobicContact CG-CB 4.44Å; S25-D28 WeakPolarHBondContact CB-OD2 3.4Å; S25-D28 PolarHBondContact O-N 2.84Å; S25-D28 PolarHBondContact OG-N 2.85Å; S25-D28 VanDerWaalsContact OG-N 3.16Å; S25-D28 PolarHBondContact OG-OD2 3.08Å; D28-V30 VanDerWaalsContact C-N 3.3Å; D28-V30 PolarHBondContact O-N 2.9Å; D28-H31 PolarHBondContact O-N 3.24Å; D28-C32 WeakPolarHBondContact O-CB 3.29Å; D28-C32 PolarHBondContact O-N 2.72Å; D28-C32 PolarHBondContact O-SG 3.38Å
29L94Very high92.4Very high1 Ų173 Ų731%0.00535%0.354CS..Hα-helixtrans-59-41.7171.5-73.5174.7000112.3L21 L24 S25 S33 S43 L48 W49L21-L29 HydrophobicContact CB-CD2 3.91Å; L21-L29 HydrophobicContact CD2-CD2 4.23Å; L21-L29 WeakPolarHBondContact O-CD2 3.18Å; L24-L29 HydrophobicContact CB-CD2 4.09Å; L24-L29 HydrophobicContact CB-CG 4Å; L24-L29 HydrophobicContact CD1-CD2 4.28Å; S25-L29 WeakPolarHBondContact O-CG 3.33Å; S25-L29 PolarHBondContact O-N 2.93Å; L29-S33 PolarHBondContact O-N 3.11Å; L29-S43 WeakPolarHBondContact O-CB 3.23Å; L29-S43 PolarHBondContact O-OG 3.23Å; L29-L48 HydrophobicContact CD1-CB 4.34Å; L29-L48 HydrophobicContact CD2-CD1 4.18Å; L29-W49 HydrophobicContact CB-CH2 4.29Å; L29-W49 HydrophobicContact CB-CZ2 3.98Å; L29-W49 HydrophobicContact CD1-CZ2 4.28Å
30V92.6Very high92.4Very high48 Ų4868.8 Ų68.829%0.29134%0.337SS..Hα-helixtrans-65.1-44.9174169.90000110.4F26 R27 D28 C32 S33 Y34 W49F26-V30 VanDerWaalsContact O-CG2 3.32Å; F26-V30 WeakPolarHBondContact O-CG2 3.34Å; F26-V30 PolarHBondContact O-N 3.29Å; R27-V30 WeakPolarHBondContact O-CB 3.34Å; R27-V30 PolarHBondContact O-N 3.13Å; D28-V30 VanDerWaalsContact C-N 3.3Å; D28-V30 PolarHBondContact O-N 2.9Å; V30-C32 PolarHBondContact O-N 2.88Å; V30-S33 VanDerWaalsContact O-CB 3.27Å; V30-S33 WeakPolarHBondContact O-CB 3.39Å; V30-S33 PolarHBondContact O-N 2.79Å; V30-S33 PolarHBondContact O-OG 3.34Å; V30-Y34 HydrophobicContact CG1-CD2 4.44Å; V30-Y34 HydrophobicContact CG1-CE2 3.62Å; V30-Y34 WeakPolarHBondContact O-CD2 3.13Å; V30-W49 HydrophobicContact CG2-CH2 3.96Å
31H94.3Very high92.3Very high113 Ų11370.2 Ų70.252%0.52334%0.343SS..Hα-helixtrans-60.5-44.6176.3-65.6161.2000112.5R27 D28 S33 Y34R27-H31 VanDerWaalsContact O-CG 3.3Å; R27-H31 PolarHBondContact O-N 2.79Å; D28-H31 PolarHBondContact O-N 3.24Å; H31-S33 PolarHBondContact O-N 3.02Å; H31-S33 VanDerWaalsContact O-N 3.16Å; H31-Y34 PolarHBondContact O-N 3.14Å
32C91.7Very high92.3Very high29 Ų2970.9 Ų70.920%0.19635%0.346CS..Hα-helixtrans-55.6-32.8173.6-71.30000112L21 D28 V30 Y34 V35 L39L21-C32 HydrophobicContact CD2-CB 4.38Å; D28-C32 WeakPolarHBondContact O-CB 3.29Å; D28-C32 PolarHBondContact O-N 2.72Å; D28-C32 PolarHBondContact O-SG 3.38Å; V30-C32 PolarHBondContact O-N 2.88Å; C32-Y34 PolarHBondContact O-N 3.38Å; C32-V35 PolarHBondContact O-N 3.04Å; C32-L39 VanDerWaalsContact O-CB 3.26Å; C32-L39 WeakPolarHBondContact O-CB 3.3Å
33S91.3Very high92.2Very high23 Ų2368.9 Ų68.916%0.16133%0.332CS..Hα-helixtrans-65.9-20.1178.185.70000114L29 V30 H31 S40 S43L29-S33 PolarHBondContact O-N 3.11Å; V30-S33 VanDerWaalsContact O-CB 3.27Å; V30-S33 WeakPolarHBondContact O-CB 3.39Å; V30-S33 PolarHBondContact O-N 2.79Å; V30-S33 PolarHBondContact O-OG 3.34Å; H31-S33 PolarHBondContact O-N 3.02Å; H31-S33 VanDerWaalsContact O-N 3.16Å; S33-S40 WeakPolarHBondContact O-CB 3.23Å; S33-S43 VanDerWaalsContact CB-OG 3.29Å; S33-S43 WeakPolarHBondContact CB-OG 3.27Å
34Y92.4Very high92.1Very high185 Ų18565.1 Ų65.173%0.72532%0.319SS*.THydrogen-bonded Turntrans-91.3-8177.4-62.6-66.3000113.7V30 H31 C32V30-Y34 HydrophobicContact CG1-CD2 4.44Å; V30-Y34 HydrophobicContact CG1-CE2 3.62Å; V30-Y34 WeakPolarHBondContact O-CD2 3.13Å; H31-Y34 PolarHBondContact O-N 3.14Å; C32-Y34 PolarHBondContact O-N 3.38Å
35V90.9Very high92Very high105 Ų10566.8 Ų66.864%0.63633%0.325SS*.THydrogen-bonded Turntrans-81.1-45.9-173.5178.60000112.2C32 L39C32-V35 PolarHBondContact O-N 3.04Å; V35-L39 HydrophobicContact CB-CD1 3.91Å; V35-L39 HydrophobicContact CG1-CD1 3.86Å
36S90.5Very high91.7Very high42 Ų4267 Ų6729%0.29432%0.323SS..  trans-155.4161.4178.779.50000111.5R38 L39 S40S36-R38 VanDerWaalsContact C-N 3.3Å; S36-R38 PolarHBondContact O-N 2.85Å; S36-L39 PolarHBondContact O-N 2.83Å; S36-L39 PolarHBondContact OG-N 2.76Å; S36-S40 WeakPolarHBondContact O-CB 3.39Å; S36-S40 PolarHBondContact O-N 3.04Å
37K89.6Confident91.5Very high170 Ų17069.7 Ų69.774%0.73934%0.342SS*.Hα-helixtrans-57.4-44176.5-172.9177.7179.1-1790111.8L39 S40 D41K37-L39 PolarHBondContact O-N 3.4Å; K37-S40 WeakPolarHBondContact O-CB 3.27Å; K37-S40 PolarHBondContact O-N 3.01Å; K37-D41 VanDerWaalsContact O-CG 3.31Å; K37-D41 PolarHBondContact O-N 3.11Å
38R90.9Very high91.4Very high96 Ų9664 Ų6436%0.36232%0.322SS..Hα-helixtrans-60.9-45.7178.6-175.3176.4-176.8167.43.9111.7D10 L12 S36 D41 L42D10-R38 PolarHBondContact O-NH1 2.88Å; L12-R38 VanDerWaalsContact O-CZ 3.29Å; L12-R38 PolarHBondContact O-NH1 2.75Å; L12-R38 PolarHBondContact O-NH2 3.33Å; S36-R38 VanDerWaalsContact C-N 3.3Å; S36-R38 PolarHBondContact O-N 2.85Å; R38-D41 PolarHBondContact O-N 2.99Å; R38-L42 HydrophobicContact CG-CD1 4.12Å; R38-L42 WeakPolarHBondContact O-CG 3.3Å; R38-L42 PolarHBondContact O-N 3.47Å
39L89.7Confident91.5Very high15 Ų1560.9 Ų60.98%0.07931%0.305CS..Hα-helixtrans-70.1-33178.2-69.7174.1000112.3C32 V35 S36 K37 D41 S43C32-L39 VanDerWaalsContact O-CB 3.26Å; C32-L39 WeakPolarHBondContact O-CB 3.3Å; V35-L39 HydrophobicContact CB-CD1 3.91Å; V35-L39 HydrophobicContact CG1-CD1 3.86Å; S36-L39 PolarHBondContact O-N 2.83Å; S36-L39 PolarHBondContact OG-N 2.76Å; K37-L39 PolarHBondContact O-N 3.4Å; L39-D41 VanDerWaalsContact C-N 3.34Å; L39-D41 PolarHBondContact O-N 2.95Å; L39-S43 WeakPolarHBondContact O-CB 3.44Å; L39-S43 PolarHBondContact O-N 3.02Å; L39-S43 PolarHBondContact O-OG 2.8Å; L39-S43 VanDerWaalsContact O-OG 3.11Å
40S90.8Very high91.5Very high20 Ų2064.8 Ų64.814%0.1432%0.322CS..Hα-helixtrans-57.5-45169.5154.20000112.5S33 S36 K37 S43 K44S33-S40 WeakPolarHBondContact O-CB 3.23Å; S36-S40 WeakPolarHBondContact O-CB 3.39Å; S36-S40 PolarHBondContact O-N 3.04Å; K37-S40 WeakPolarHBondContact O-CB 3.27Å; K37-S40 PolarHBondContact O-N 3.01Å; S40-S43 PolarHBondContact O-OG 3.3Å; S40-K44 VanDerWaalsContact O-CD 3.31Å; S40-K44 WeakPolarHBondContact O-CD 3.29Å; S40-K44 VanDerWaalsContact O-CG 3.3Å; S40-K44 WeakPolarHBondContact O-CG 3.29Å; S40-K44 PolarHBondContact OG-NZ 2.87Å
41D90.6Very high91.5Very high98 Ų9869.9 Ų69.952%0.52434%0.336SS..Hα-helixtrans-72.4-42.5-176.5-63.9-18.6000110.6K37 R38 L39K37-D41 VanDerWaalsContact O-CG 3.31Å; K37-D41 PolarHBondContact O-N 3.11Å; R38-D41 PolarHBondContact O-N 2.99Å; L39-D41 VanDerWaalsContact C-N 3.34Å; L39-D41 PolarHBondContact O-N 2.95Å
42L92.1Very high91.5Very high20 Ų2065.2 Ų65.211%0.10531%0.314CS..Hα-helixtrans-70.9-38178.1-67.9176.1000113.1L17 L18 L21 R38 K44 H45 L48L17-L42 HydrophobicContact CB-CD1 4.08Å; L17-L42 HydrophobicContact CD1-CD1 3.87Å; L18-L42 HydrophobicContact CD1-CD2 4.46Å; L18-L42 HydrophobicContact CD2-CB 4.25Å; L18-L42 HydrophobicContact CD2-CD2 4.11Å; L18-L42 HydrophobicContact CG-CD2 4.17Å; L21-L42 HydrophobicContact CD1-CB 3.92Å; R38-L42 HydrophobicContact CG-CD1 4.12Å; R38-L42 WeakPolarHBondContact O-CG 3.3Å; R38-L42 PolarHBondContact O-N 3.47Å; L42-K44 PolarHBondContact O-N 3.03Å; L42-H45 WeakPolarHBondContact O-CB 3.35Å; L42-H45 PolarHBondContact O-N 2.84Å; L42-L48 VanDerWaalsContact O-CD1 3.28Å; L42-L48 WeakPolarHBondContact O-CD1 3.44Å
43S91.9Very high91.7Very high2 Ų263.9 Ų63.91%0.01431%0.305CS..Hα-helixtrans-68.3-20.7-178.673.70000112.8L29 S33 L39 S40 H45 W49L29-S43 WeakPolarHBondContact O-CB 3.23Å; L29-S43 PolarHBondContact O-OG 3.23Å; S33-S43 VanDerWaalsContact CB-OG 3.29Å; S33-S43 WeakPolarHBondContact CB-OG 3.27Å; L39-S43 WeakPolarHBondContact O-CB 3.44Å; L39-S43 PolarHBondContact O-N 3.02Å; L39-S43 PolarHBondContact O-OG 2.8Å; L39-S43 VanDerWaalsContact O-OG 3.11Å; S40-S43 PolarHBondContact O-OG 3.3Å; S43-H45 VanDerWaalsContact C-N 3.3Å; S43-W49 PolarHBondContact O-NE1 2.91Å
44K91.1Very high91.9Very high80 Ų8065 Ų6535%0.34831%0.313SS..THydrogen-bonded Turntrans-86.50174.3-65.2168.8-1701560113S40 L42 N46 Y72S40-K44 VanDerWaalsContact O-CD 3.31Å; S40-K44 WeakPolarHBondContact O-CD 3.29Å; S40-K44 VanDerWaalsContact O-CG 3.3Å; S40-K44 WeakPolarHBondContact O-CG 3.29Å; S40-K44 PolarHBondContact OG-NZ 2.87Å; L42-K44 PolarHBondContact O-N 3.03Å; K44-N46 PolarHBondContact O-N 2.89Å; K44-Y72 HydrophobicContact CB-CD1 4.21Å; K44-Y72 HydrophobicContact CB-CE1 4.31Å; K44-Y72 HydrophobicContact CD-CE1 3.98Å; K44-Y72 HydrophobicContact CG-CD1 4.13Å; K44-Y72 HydrophobicContact CG-CE1 3.73Å; K44-Y72 HydrophobicContact CG-CE2 4.34Å
45H92.1Very high92Very high83 Ų8362.5 Ų62.538%0.38431%0.305SS..  trans-59.2127.6-178-170.3-110.7000111.2L18 L42 S43 P47 L48L18-H45 HydrophobicContact CD2-CB 3.5Å; L18-H45 VanDerWaalsContact CD2-CB 3.5Å; L42-H45 WeakPolarHBondContact O-CB 3.35Å; L42-H45 PolarHBondContact O-N 2.84Å; S43-H45 VanDerWaalsContact C-N 3.3Å; H45-P47 VanDerWaalsContact CE1-CD 3.49Å; H45-P47 WeakPolarHBondContact CE1-CD 3.46Å; H45-P47 WeakPolarHBondContact ND1-CD 3.36Å; H45-L48 HydrophobicContact CB-CD1 4.09Å; H45-L48 HydrophobicContact CB-CG 4.32Å; H45-L48 WeakPolarHBondContact O-CB 3.36Å; H45-L48 PolarHBondContact O-N 2.9Å
46N86.9Confident92.2Very high52 Ų5258.8 Ų58.828%0.27828%0.281SS..Hα-helixtrans-57.1-45.3-162.2-173.556.2000114.8K44 L48 W49 S70 W71K44-N46 PolarHBondContact O-N 2.89Å; N46-L48 VanDerWaalsContact C-N 3.26Å; N46-L48 PolarHBondContact O-N 2.87Å; N46-W49 PolarHBondContact O-N 3.36Å; N46-S70 WeakPolarHBondContact OD1-CA 3.31Å; N46-S70 WeakPolarHBondContact OD1-CB 3.49Å; N46-W71 VanDerWaalsContact OD1-CB 3.29Å; N46-W71 WeakPolarHBondContact OD1-CB 3.36Å; N46-W71 PolarHBondContact OD1-N 2.93Å
47P88.9Confident92.4Very high80 Ų8057 Ų5752%0.51927%0.268SS..Hα-helixtrans-53.9-32.1173.8-30.534.7000116.2H45 W49 K50H45-P47 VanDerWaalsContact CE1-CD 3.49Å; H45-P47 WeakPolarHBondContact CE1-CD 3.46Å; H45-P47 WeakPolarHBondContact ND1-CD 3.36Å; P47-W49 PolarHBondContact O-N 3.03Å; P47-K50 PolarHBondContact O-N 2.83Å
48L93.4Very high92.7Very high13 Ų1351.5 Ų51.57%0.06825%0.247CC..Hα-helixtrans-63.1-33.6-178.9-60.2177.4000111.5L18 L21 L29 L42 H45 N46 H52L18-L48 HydrophobicContact CD2-CD1 4Å; L18-L48 HydrophobicContact CD2-CG 4.44Å; L18-L48 WeakPolarHBondContact O-CD2 3.4Å; L21-L48 HydrophobicContact CB-CD1 3.96Å; L21-L48 HydrophobicContact CB-CD2 4.19Å; L21-L48 HydrophobicContact CD1-CD1 4.26Å; L29-L48 HydrophobicContact CD1-CB 4.34Å; L29-L48 HydrophobicContact CD2-CD1 4.18Å; L42-L48 VanDerWaalsContact O-CD1 3.28Å; L42-L48 WeakPolarHBondContact O-CD1 3.44Å; H45-L48 HydrophobicContact CB-CD1 4.09Å; H45-L48 HydrophobicContact CB-CG 4.32Å; H45-L48 WeakPolarHBondContact O-CB 3.36Å; H45-L48 PolarHBondContact O-N 2.9Å; N46-L48 VanDerWaalsContact C-N 3.26Å; N46-L48 PolarHBondContact O-N 2.87Å; L48-H52 PolarHBondContact O-CD2 2.67Å
49W95.3Very high92.9Very high3 Ų347.2 Ų47.21%0.01123%0.231CC..Hα-helixtrans-88.7-18.1-175-66.191.2000113.6F26 L29 V30 S43 N46 P47 R51 H52 C53 W71 Y72 F75F26-W49 HydrophobicContact CB-CH2 4.33Å; F26-W49 HydrophobicContact CB-CZ3 3.89Å; L29-W49 HydrophobicContact CB-CH2 4.29Å; L29-W49 HydrophobicContact CB-CZ2 3.98Å; L29-W49 HydrophobicContact CD1-CZ2 4.28Å; V30-W49 HydrophobicContact CG2-CH2 3.96Å; S43-W49 PolarHBondContact O-NE1 2.91Å; N46-W49 PolarHBondContact O-N 3.36Å; P47-W49 PolarHBondContact O-N 3.03Å; W49-R51 VanDerWaalsContact C-N 3.33Å; W49-R51 PolarHBondContact O-N 3.17Å; W49-H52 PolarHBondContact O-N 3Å; W49-C53 PolarHBondContact O-N 2.98Å; W49-W71 HydrophobicContact CB-CB 3.79Å; W49-Y72 AromaticContact CD1-CD2 3.93Å; W49-Y72 AromaticContact CD2-CD2 3.62Å; W49-Y72 HydrophobicContact CD2-CD2 3.62Å; W49-Y72 HydrophobicContact CD2-CE2 4.44Å; W49-Y72 HydrophobicContact CD2-CG 4.49Å; W49-Y72 AromaticContact CE2-CD2 3.31Å; W49-Y72 AromaticContact CE2-CE2 3.83Å; W49-Y72 HydrophobicContact CE3-CD2 4.18Å; W49-Y72 HydrophobicContact CG-CD2 4.01Å; W49-Y72 HydrophobicContact CG-CG 4.44Å; W49-Y72 HydrophobicContact CH2-CD2 4.18Å; W49-Y72 HydrophobicContact CH2-CE2 4.06Å; W49-Y72 AromaticContact CZ2-CD2 3.63Å; W49-Y72 HydrophobicContact CZ2-CD2 3.63Å; W49-Y72 AromaticContact CZ2-CE2 3.63Å; W49-Y72 HydrophobicContact CZ2-CE2 3.63Å; W49-Y72 HydrophobicContact CZ3-CD2 4.42Å; W49-Y72 AromaticContact NE1-CD2 3.52Å; W49-F75 HydrophobicContact CE3-CB 3.8Å; W49-F75 AromaticContact CE3-CD1 3.73Å; W49-F75 HydrophobicContact CE3-CD1 3.73Å; W49-F75 HydrophobicContact CE3-CD2 4.04Å; W49-F75 HydrophobicContact CE3-CE1 4.34Å; W49-F75 AromaticContact CE3-CG 3.55Å; W49-F75 HydrophobicContact CE3-CG 3.55Å; W49-F75 HydrophobicContact CH2-CD1 4.46Å; W49-F75 HydrophobicContact CZ3-CB 4.33Å; W49-F75 AromaticContact CZ3-CD1 3.38Å; W49-F75 HydrophobicContact CZ3-CD1 3.38Å; W49-F75 HydrophobicContact CZ3-CD2 4.31Å; W49-F75 AromaticContact CZ3-CE1 3.68Å; W49-F75 HydrophobicContact CZ3-CE1 3.68Å; W49-F75 AromaticContact CZ3-CG 3.73Å; W49-F75 HydrophobicContact CZ3-CG 3.73Å; W49-F75 HydrophobicContact CZ3-CZ 4.25Å
50K94.6Very high93.1Very high83 Ų8349.8 Ų49.836%0.36125%0.247SC..Hα-helixtrans-54.7-50.5176.4178.7168.4174.1169.70111P47 H52 C53 C54 D61 W71P47-K50 PolarHBondContact O-N 2.83Å; K50-H52 VanDerWaalsContact C-N 3.31Å; K50-H52 PolarHBondContact O-N 3.5Å; K50-C53 PolarHBondContact O-N 2.77Å; K50-C54 PolarHBondContact O-N 3.01Å; K50-C54 PolarHBondContact O-SG 2.86Å; K50-D61 WeakPolarHBondContact CE-OD2 3.35Å; K50-D61 IonicContact NZ-OD2 2.77Å; K50-D61 PolarHBondContact NZ-OD2 3.39Å; K50-W71 HydrophobicContact CB-CD2 3.92Å; K50-W71 HydrophobicContact CB-CG 3.89Å; K50-W71 HydrophobicContact CB-CZ2 4.41Å; K50-W71 HydrophobicContact CD-CZ2 3.92Å; K50-W71 HydrophobicContact CG-CD2 4.13Å; K50-W71 HydrophobicContact CG-CH2 4.37Å; K50-W71 HydrophobicContact CG-CZ2 3.72Å
51R93Very high93.2Very high156 Ų15651.7 Ų51.759%0.58926%0.256SS*.Hα-helixtrans-57-44.6179.4-177.6-178.1179.4-175.61.3111.9W49 K55W49-R51 VanDerWaalsContact C-N 3.33Å; W49-R51 PolarHBondContact O-N 3.17Å; R51-K55 WeakPolarHBondContact O-CB 3.49Å; R51-K55 PolarHBondContact O-N 2.96Å
52H94.9Very high93.2Very high15 Ų1550.4 Ų50.47%0.06926%0.258CS..Hα-helixtrans-69.5-40.4-178.6-66.1-59.2000112L24 F26 L48 W49 K50 K55 H56 F75L24-H52 PolarHBondContact O-CE1 2.83Å; L24-H52 PolarHBondContact O-NE2 2.85Å; F26-H52 PolarHBondContact N-CE1 2.8Å; L48-H52 PolarHBondContact O-CD2 2.67Å; W49-H52 PolarHBondContact O-N 3Å; K50-H52 VanDerWaalsContact C-N 3.31Å; K50-H52 PolarHBondContact O-N 3.5Å; H52-K55 PolarHBondContact O-N 2.69Å; H52-H56 WeakPolarHBondContact O-CB 3.34Å; H52-H56 PolarHBondContact O-CD2 2.44Å; H52-H56 PolarHBondContact O-N 2.75Å; H52-F75 HydrophobicContact CB-CD2 3.95Å; H52-F75 HydrophobicContact CB-CE2 3.76Å
53C95.7Very high93.1Very high0 Ų052.9 Ų52.90%027%0.269CS..Hα-helixtrans-62.1-48173.4-75.30000112.6W49 K50 K55 W57 L58 L59 W71W49-C53 PolarHBondContact O-N 2.98Å; K50-C53 PolarHBondContact O-N 2.77Å; C53-K55 VanDerWaalsContact C-N 3.34Å; C53-K55 PolarHBondContact O-N 2.76Å; C53-W57 CarbonylContact O-C 3.56Å; C53-W57 WeakPolarHBondContact O-CA 3.39Å; C53-W57 WeakPolarHBondContact O-CB 3.45Å; C53-W57 PolarHBondContact O-N 3.43Å; C53-L58 PolarHBondContact O-N 2.68Å; C53-L59 HydrophobicContact CB-CB 4.36Å; C53-L59 HydrophobicContact CB-CD1 4.23Å; C53-L59 PolarHBondContact O-N 2.77Å; C53-W71 HydrophobicContact CB-CE3 3.47Å; C53-W71 VanDerWaalsContact CB-CE3 3.47Å; C53-W71 HydrophobicContact CB-CZ3 3.66Å; C53-W71 PolarHBondContact SG-O 2.75Å
54C94.2Very high93.1Very high48 Ų4855.2 Ų55.232%0.32428%0.278SS..Hα-helixtrans-63.3-41.8177.7-61.80000111.3K50 L58 L59K50-C54 PolarHBondContact O-N 3.01Å; K50-C54 PolarHBondContact O-SG 2.86Å; C54-L58 VanDerWaalsContact O-CA 3.31Å; C54-L58 WeakPolarHBondContact O-CA 3.31Å; C54-L58 PolarHBondContact O-N 2.8Å; C54-L59 PolarHBondContact SG-O 2.64Å
55K94.2Very high93.1Very high131 Ų13157 Ų5757%0.5729%0.291SS*.Hα-helixtrans-67.7-48.8-178.5-179.8-178.5176.2-174.80112.8R51 H52 C53 A90R51-K55 WeakPolarHBondContact O-CB 3.49Å; R51-K55 PolarHBondContact O-N 2.96Å; H52-K55 PolarHBondContact O-N 2.69Å; C53-K55 VanDerWaalsContact C-N 3.34Å; C53-K55 PolarHBondContact O-N 2.76Å; K55-A90 VanDerWaalsContact O-CB 3.32Å; K55-A90 WeakPolarHBondContact O-CB 3.43Å
56H95.9Very high93.1Very high28 Ų2860.8 Ų60.813%0.1331%0.308CS..Hα-helixtrans-93.8-29.9-169-69.9-69.9000113.5H52 I86 Y89H52-H56 WeakPolarHBondContact O-CB 3.34Å; H52-H56 PolarHBondContact O-CD2 2.44Å; H52-H56 PolarHBondContact O-N 2.75Å; H56-I86 HydrophobicContact CB-CD1 4.42Å; H56-I86 HydrophobicContact CB-CG1 3.99Å; H56-I86 WeakPolarHBondContact ND1-CG1 3.38Å; H56-I86 PolarHBondContact ND1-O 2.94Å; H56-Y89 WeakPolarHBondContact O-CD1 3.28Å
57W95.8Very high93.3Very high5 Ų565.5 Ų65.52%0.01932%0.322CS..Hα-helixtrans-119.3-1.1-172.1-46.1132.9000113C53 L59 F75 Y78 F79 L82 I86 Y89C53-W57 CarbonylContact O-C 3.56Å; C53-W57 WeakPolarHBondContact O-CA 3.39Å; C53-W57 WeakPolarHBondContact O-CB 3.45Å; C53-W57 PolarHBondContact O-N 3.43Å; W57-L59 HydrophobicContact CB-CD1 3.91Å; W57-L59 HydrophobicContact CB-CG 3.75Å; W57-L59 PolarHBondContact O-N 2.67Å; W57-L59 VanDerWaalsContact O-N 3.16Å; W57-F75 AromaticContact CD1-CD2 3.97Å; W57-F75 HydrophobicContact CZ2-CE2 4.44Å; W57-F75 HydrophobicContact CZ2-CZ 4.49Å; W57-F75 AromaticContact NE1-CD2 3.35Å; W57-F75 AromaticContact NE1-CE2 3.43Å; W57-Y78 HydrophobicContact CB-CD1 3.93Å; W57-Y78 HydrophobicContact CB-CG 4.41Å; W57-Y78 HydrophobicContact CD2-CD1 4.39Å; W57-Y78 HydrophobicContact CG-CD1 4.05Å; W57-Y78 HydrophobicContact CG-CG 4.19Å; W57-F79 HydrophobicContact CZ2-CB 4.37Å; W57-F79 HydrophobicContact CZ2-CD2 4.21Å; W57-L82 HydrophobicContact CE3-CB 4.33Å; W57-L82 HydrophobicContact CH2-CB 4.21Å; W57-L82 HydrophobicContact CZ3-CB 3.75Å; W57-I86 HydrophobicContact CH2-CB 3.63Å; W57-I86 HydrophobicContact CH2-CD1 3.92Å; W57-I86 HydrophobicContact CH2-CG1 3.56Å; W57-I86 HydrophobicContact CZ2-CB 4.32Å; W57-I86 HydrophobicContact CZ2-CD1 3.7Å; W57-I86 HydrophobicContact CZ2-CG1 3.82Å; W57-I86 HydrophobicContact CZ3-CB 4.34Å; W57-I86 HydrophobicContact CZ3-CG1 4.29Å; W57-Y89 AromaticContact CE3-CD1 3.82Å; W57-Y89 HydrophobicContact CE3-CD1 3.82Å; W57-Y89 HydrophobicContact CE3-CE1 4.37Å; W57-Y89 HydrophobicContact CE3-CG 4.28Å; W57-Y89 HydrophobicContact CZ3-CD1 4.35Å; W57-Y89 HydrophobicContact CZ3-CG 4.37Å
58L95.9Very high93.4Very high54 Ų5465 Ų6528%0.28333%0.332SS..  trans57.824.2-178.6-53.4174.2000114C53 C54 A90 K93 N94C53-L58 PolarHBondContact O-N 2.68Å; C54-L58 VanDerWaalsContact O-CA 3.31Å; C54-L58 WeakPolarHBondContact O-CA 3.31Å; C54-L58 PolarHBondContact O-N 2.8Å; L58-A90 HydrophobicContact CD2-CB 4.12Å; L58-A90 HydrophobicContact CG-CB 4.25Å; L58-K93 HydrophobicContact CD1-CB 3.83Å; L58-K93 HydrophobicContact CD1-CG 3.68Å; L58-N94 VanDerWaalsContact CD1-OD1 3.25Å; L58-N94 WeakPolarHBondContact CD1-OD1 3.32Å
59L94.4Very high93.3Very high6 Ų667.6 Ų67.63%0.03135%0.345CS..  trans-74.6143.7-175.9-64.8174.4000112.5C53 C54 W57 E63 W71 L74 Y78C53-L59 HydrophobicContact CB-CB 4.36Å; C53-L59 HydrophobicContact CB-CD1 4.23Å; C53-L59 PolarHBondContact O-N 2.77Å; C54-L59 PolarHBondContact SG-O 2.64Å; W57-L59 HydrophobicContact CB-CD1 3.91Å; W57-L59 HydrophobicContact CB-CG 3.75Å; W57-L59 PolarHBondContact O-N 2.67Å; W57-L59 VanDerWaalsContact O-N 3.16Å; L59-E63 WeakPolarHBondContact CA-OE2 3.15Å; L59-W71 HydrophobicContact CB-CZ3 3.95Å; L59-L74 HydrophobicContact CD1-CB 4.31Å; L59-L74 HydrophobicContact CD1-CD1 4.43Å; L59-Y78 HydrophobicContact CD1-CD1 4.46Å; L59-Y78 HydrophobicContact CD1-CD2 3.99Å; L59-Y78 HydrophobicContact CD1-CE1 4.42Å; L59-Y78 HydrophobicContact CD1-CE2 3.94Å; L59-Y78 HydrophobicContact CD1-CG 4.26Å; L59-Y78 HydrophobicContact CD2-CE1 3.97Å; L59-Y78 HydrophobicContact CD2-CE2 4.15Å
60T93.4Very high93.2Very high68 Ų6870 Ų7042%0.41736%0.363SS..  trans-108.6163.1179.564.60000111.9A62 E63 R64 W71T60-A62 PolarHBondContact O-N 2.75Å; T60-E63 PolarHBondContact N-OE2 3.07Å; T60-E63 PolarHBondContact O-N 2.59Å; T60-E63 WeakPolarHBondContact OG1-CG 3.47Å; T60-E63 PolarHBondContact OG1-N 2.78Å; T60-E63 PolarHBondContact OG1-OE2 2.66Å; T60-R64 PolarHBondContact O-N 2.71Å; T60-R64 VanDerWaalsContact O-N 3.15Å; T60-W71 WeakPolarHBondContact O-CH2 3.17Å
61D92.1Very high93.3Very high61 Ų6166.3 Ų66.333%0.32635%0.346SS..Hα-helixtrans-61.1-31.5174.2-89.7-66.5000112.2K50 R64 L65 W71K50-D61 WeakPolarHBondContact CE-OD2 3.35Å; K50-D61 IonicContact NZ-OD2 2.77Å; K50-D61 PolarHBondContact NZ-OD2 3.39Å; D61-R64 PolarHBondContact O-N 2.73Å; D61-R64 IonicContact OD1-CZ 2.85Å; D61-R64 IonicContact OD1-NE 3.66Å; D61-R64 PolarHBondContact OD1-NE 3.39Å; D61-R64 IonicContact OD1-NH2 3.35Å; D61-L65 WeakPolarHBondContact O-CB 3.36Å; D61-L65 VanDerWaalsContact O-CG 3.25Å; D61-L65 WeakPolarHBondContact O-CG 3.46Å; D61-L65 PolarHBondContact O-N 2.82Å; D61-W71 WeakPolarHBondContact OD1-CZ2 3.27Å
62A91.5Very high93.3Very high70 Ų7061.1 Ų61.158%0.57933%0.327SS*.Hα-helixtrans-63.1-48.4177.500000111.6T60 R64 L65 Q66T60-A62 PolarHBondContact O-N 2.75Å; A62-R64 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 2.71Å; A62-L65 PolarHBondContact O-N 2.81Å; A62-Q66 WeakPolarHBondContact O-CB 3.28Å; A62-Q66 PolarHBondContact O-N 2.76Å
63E89.6Confident93.2Very high72 Ų7261.5 Ų61.534%0.33634%0.335SS..Hα-helixtrans-63.5-37.1177.3-69.4164.4122.700111.7L59 T60 Q66 R67L59-E63 WeakPolarHBondContact CA-OE2 3.15Å; T60-E63 PolarHBondContact N-OE2 3.07Å; T60-E63 PolarHBondContact O-N 2.59Å; T60-E63 WeakPolarHBondContact OG1-CG 3.47Å; T60-E63 PolarHBondContact OG1-N 2.78Å; T60-E63 PolarHBondContact OG1-OE2 2.66Å; E63-Q66 PolarHBondContact O-N 3.01Å; E63-R67 VanDerWaalsContact O-CG 3.31Å; E63-R67 WeakPolarHBondContact O-CG 3.37Å; E63-R67 PolarHBondContact O-N 2.76Å; E63-R67 VanDerWaalsContact O-N 3.11Å
64R92.4Very high93.2Very high52 Ų5261.6 Ų61.620%0.19634%0.335CS..Hα-helixtrans-63.1-47.9174.6179.8-174.272.576.72.9112.3T60 D61 A62 Q66 R67 G68 L69 W71 L74T60-R64 PolarHBondContact O-N 2.71Å; T60-R64 VanDerWaalsContact O-N 3.15Å; D61-R64 PolarHBondContact O-N 2.73Å; D61-R64 IonicContact OD1-CZ 2.85Å; D61-R64 IonicContact OD1-NE 3.66Å; D61-R64 PolarHBondContact OD1-NE 3.39Å; D61-R64 IonicContact OD1-NH2 3.35Å; A62-R64 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 2.71Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 2.89Å; R64-R67 PolarHBondContact O-N 3.02Å; R64-G68 PolarHBondContact O-N 2.83Å; R64-G68 VanDerWaalsContact O-N 3.08Å; R64-L69 WeakPolarHBondContact CG-O 3.21Å; R64-W71 HydrophobicContact CB-CH2 4.19Å; R64-W71 HydrophobicContact CB-CZ2 4.3Å; R64-W71 HydrophobicContact CB-CZ3 4.35Å; R64-W71 VanDerWaalsContact CD-CD2 3.5Å; R64-L74 HydrophobicContact CB-CD1 3.57Å; R64-L74 HydrophobicContact CG-CD1 3.56Å
65L91.3Very high93.3Very high117 Ų11759.7 Ų59.761%0.61332%0.321SS*.Hα-helixtrans-62.1-40.2179.4-72.1169.8000111D61 A62 R67 G68D61-L65 WeakPolarHBondContact O-CB 3.36Å; D61-L65 VanDerWaalsContact O-CG 3.25Å; D61-L65 WeakPolarHBondContact O-CG 3.46Å; D61-L65 PolarHBondContact O-N 2.82Å; A62-L65 PolarHBondContact O-N 2.81Å; L65-R67 VanDerWaalsContact C-N 3.33Å; L65-R67 PolarHBondContact O-N 3.32Å; L65-G68 PolarHBondContact O-N 2.81Å
66Q91.8Very high93.3Very high162 Ų16259.2 Ų59.276%0.75732%0.32SS*.Hα-helixtrans-61.6-39176.6-172.8-177.4600112.8A62 E63 R64A62-Q66 WeakPolarHBondContact O-CB 3.28Å; A62-Q66 PolarHBondContact O-N 2.76Å; E63-Q66 PolarHBondContact O-N 3.01Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 2.89Å
67R90.3Very high93.2Very high152 Ų15262.2 Ų62.257%0.57434%0.336SS*.Hα-helixtrans-79-17.7178.9-67.6-85.1-171.8-132.7-0.7113.3E63 R64 L65 L69 L74E63-R67 VanDerWaalsContact O-CG 3.31Å; E63-R67 WeakPolarHBondContact O-CG 3.37Å; E63-R67 PolarHBondContact O-N 2.76Å; E63-R67 VanDerWaalsContact O-N 3.11Å; R64-R67 PolarHBondContact O-N 3.02Å; L65-R67 VanDerWaalsContact C-N 3.33Å; L65-R67 PolarHBondContact O-N 3.32Å; R67-L69 HydrophobicContact CB-CG 4.44Å; R67-L69 PolarHBondContact O-N 3.28Å; R67-L74 HydrophobicContact CB-CD2 4.05Å; R67-L74 HydrophobicContact CG-CD2 4.14Å
68G91.6Very high93.2Very high69 Ų6963.8 Ų63.871%0.71134%0.342SS*.THydrogen-bonded Turntrans66.619-177.700000114.7R64 L65R64-G68 PolarHBondContact O-N 2.83Å; R64-G68 VanDerWaalsContact O-N 3.08Å; L65-G68 PolarHBondContact O-N 2.81Å
69L91.9Very high93.3Very high67 Ų6765.3 Ų65.335%0.35135%0.347SS..  trans-104.5159.5-176.7-66.5177.3000112.3R64 R67 L74 L77R64-L69 WeakPolarHBondContact CG-O 3.21Å; R67-L69 HydrophobicContact CB-CG 4.44Å; R67-L69 PolarHBondContact O-N 3.28Å; L69-L74 HydrophobicContact CB-CD2 4.09Å; L69-L74 HydrophobicContact CB-CG 3.98Å; L69-L74 HydrophobicContact CD1-CD2 4.01Å; L69-L77 HydrophobicContact CD1-CD1 4.19Å
70S93.7Very high93.3Very high54 Ų5469.2 Ų69.238%0.37838%0.38SS..  trans-71.2156.116567.50000110.3N46 Y72 G73 L74N46-S70 WeakPolarHBondContact OD1-CA 3.31Å; N46-S70 WeakPolarHBondContact OD1-CB 3.49Å; S70-Y72 PolarHBondContact O-N 3.37Å; S70-G73 WeakPolarHBondContact O-CA 3.02Å; S70-G73 PolarHBondContact O-N 3.23Å; S70-G73 PolarHBondContact OG-N 2.81Å; S70-L74 PolarHBondContact O-N 2.92Å
71W95.2Very high93.4Very high5 Ų570.1 Ų70.12%0.01938%0.382CS..Hα-helixtrans-54-39.7170.2-71.6116.9000112N46 W49 K50 C53 L59 T60 D61 R64 L74 F75N46-W71 VanDerWaalsContact OD1-CB 3.29Å; N46-W71 WeakPolarHBondContact OD1-CB 3.36Å; N46-W71 PolarHBondContact OD1-N 2.93Å; W49-W71 HydrophobicContact CB-CB 3.79Å; K50-W71 HydrophobicContact CB-CD2 3.92Å; K50-W71 HydrophobicContact CB-CG 3.89Å; K50-W71 HydrophobicContact CB-CZ2 4.41Å; K50-W71 HydrophobicContact CD-CZ2 3.92Å; K50-W71 HydrophobicContact CG-CD2 4.13Å; K50-W71 HydrophobicContact CG-CH2 4.37Å; K50-W71 HydrophobicContact CG-CZ2 3.72Å; C53-W71 HydrophobicContact CB-CE3 3.47Å; C53-W71 VanDerWaalsContact CB-CE3 3.47Å; C53-W71 HydrophobicContact CB-CZ3 3.66Å; C53-W71 PolarHBondContact SG-O 2.75Å; L59-W71 HydrophobicContact CB-CZ3 3.95Å; T60-W71 WeakPolarHBondContact O-CH2 3.17Å; D61-W71 WeakPolarHBondContact OD1-CZ2 3.27Å; R64-W71 HydrophobicContact CB-CH2 4.19Å; R64-W71 HydrophobicContact CB-CZ2 4.3Å; R64-W71 HydrophobicContact CB-CZ3 4.35Å; R64-W71 VanDerWaalsContact CD-CD2 3.5Å; W71-L74 HydrophobicContact CE3-CD1 4.07Å; W71-L74 HydrophobicContact CZ3-CD1 4.29Å; W71-L74 PolarHBondContact O-N 3.42Å; W71-F75 WeakPolarHBondContact O-CB 3.42Å; W71-F75 PolarHBondContact O-N 2.95Å
72Y93.8Very high93.6Very high48 Ų4867.7 Ų67.719%0.18837%0.369CS..Hα-helixtrans-63.4-44.8173.8177.9-120000112K44 W49 S70 L74 F75 K76K44-Y72 HydrophobicContact CB-CD1 4.21Å; K44-Y72 HydrophobicContact CB-CE1 4.31Å; K44-Y72 HydrophobicContact CD-CE1 3.98Å; K44-Y72 HydrophobicContact CG-CD1 4.13Å; K44-Y72 HydrophobicContact CG-CE1 3.73Å; K44-Y72 HydrophobicContact CG-CE2 4.34Å; W49-Y72 AromaticContact CD1-CD2 3.93Å; W49-Y72 AromaticContact CD2-CD2 3.62Å; W49-Y72 HydrophobicContact CD2-CD2 3.62Å; W49-Y72 HydrophobicContact CD2-CE2 4.44Å; W49-Y72 HydrophobicContact CD2-CG 4.49Å; W49-Y72 AromaticContact CE2-CD2 3.31Å; W49-Y72 AromaticContact CE2-CE2 3.83Å; W49-Y72 HydrophobicContact CE3-CD2 4.18Å; W49-Y72 HydrophobicContact CG-CD2 4.01Å; W49-Y72 HydrophobicContact CG-CG 4.44Å; W49-Y72 HydrophobicContact CH2-CD2 4.18Å; W49-Y72 HydrophobicContact CH2-CE2 4.06Å; W49-Y72 AromaticContact CZ2-CD2 3.63Å; W49-Y72 HydrophobicContact CZ2-CD2 3.63Å; W49-Y72 AromaticContact CZ2-CE2 3.63Å; W49-Y72 HydrophobicContact CZ2-CE2 3.63Å; W49-Y72 HydrophobicContact CZ3-CD2 4.42Å; W49-Y72 AromaticContact NE1-CD2 3.52Å; S70-Y72 PolarHBondContact O-N 3.37Å; Y72-L74 PolarHBondContact O-N 2.94Å; Y72-F75 PolarHBondContact O-N 2.83Å; Y72-K76 HydrophobicContact CD1-CD 4.4Å; Y72-K76 HydrophobicContact CD2-CG 4.45Å; Y72-K76 HydrophobicContact CE1-CD 3.76Å; Y72-K76 HydrophobicContact CE1-CG 4.48Å; Y72-K76 HydrophobicContact CE2-CD 4.12Å; Y72-K76 HydrophobicContact CE2-CG 4.06Å; Y72-K76 WeakPolarHBondContact O-CG 3.24Å; Y72-K76 PolarHBondContact O-N 2.77Å
73G93.5Very high93.8Very high22 Ų2265 Ų6523%0.22735%0.347CS..Hα-helixtrans-61.3-43.1176.300000112.5S70 K76 L77S70-G73 WeakPolarHBondContact O-CA 3.02Å; S70-G73 PolarHBondContact O-N 3.23Å; S70-G73 PolarHBondContact OG-N 2.81Å; G73-K76 PolarHBondContact O-N 2.91Å; G73-L77 WeakPolarHBondContact O-CB 3.12Å; G73-L77 PolarHBondContact O-N 3.37Å
74L94.8Very high94.1Very high3 Ų366.3 Ų66.32%0.01635%0.35CS..Hα-helixtrans-63-46174-74.6175.9000112.2L59 R64 R67 L69 S70 W71 Y72 K76 L77 Y78L59-L74 HydrophobicContact CD1-CB 4.31Å; L59-L74 HydrophobicContact CD1-CD1 4.43Å; R64-L74 HydrophobicContact CB-CD1 3.57Å; R64-L74 HydrophobicContact CG-CD1 3.56Å; R67-L74 HydrophobicContact CB-CD2 4.05Å; R67-L74 HydrophobicContact CG-CD2 4.14Å; L69-L74 HydrophobicContact CB-CD2 4.09Å; L69-L74 HydrophobicContact CB-CG 3.98Å; L69-L74 HydrophobicContact CD1-CD2 4.01Å; S70-L74 PolarHBondContact O-N 2.92Å; W71-L74 HydrophobicContact CE3-CD1 4.07Å; W71-L74 HydrophobicContact CZ3-CD1 4.29Å; W71-L74 PolarHBondContact O-N 3.42Å; Y72-L74 PolarHBondContact O-N 2.94Å; L74-K76 VanDerWaalsContact C-N 3.28Å; L74-K76 PolarHBondContact O-N 2.94Å; L74-L77 PolarHBondContact O-N 3.24Å; L74-Y78 WeakPolarHBondContact O-CD2 3.33Å; L74-Y78 PolarHBondContact O-N 2.82Å
75F95.7Very high94.4Very high7 Ų763.9 Ų63.93%0.03134%0.34CS..Hα-helixtrans-57.7-46.3177.9-169.7-87.1000110.4F26 W49 H52 W57 W71 Y72 L77 Y78 F79 I86F26-F75 HydrophobicContact CB-CE1 4.31Å; F26-F75 HydrophobicContact CB-CZ 3.9Å; F26-F75 HydrophobicContact CD1-CZ 4.23Å; F26-F75 AromaticContact CD2-CE1 3.83Å; F26-F75 HydrophobicContact CD2-CE1 3.83Å; F26-F75 AromaticContact CD2-CZ 3.73Å; F26-F75 HydrophobicContact CD2-CZ 3.73Å; F26-F75 HydrophobicContact CE2-CE1 4.45Å; F26-F75 HydrophobicContact CE2-CZ 4.32Å; F26-F75 HydrophobicContact CG-CE1 4.18Å; F26-F75 AromaticContact CG-CZ 3.68Å; F26-F75 HydrophobicContact CG-CZ 3.68Å; W49-F75 HydrophobicContact CE3-CB 3.8Å; W49-F75 AromaticContact CE3-CD1 3.73Å; W49-F75 HydrophobicContact CE3-CD1 3.73Å; W49-F75 HydrophobicContact CE3-CD2 4.04Å; W49-F75 HydrophobicContact CE3-CE1 4.34Å; W49-F75 AromaticContact CE3-CG 3.55Å; W49-F75 HydrophobicContact CE3-CG 3.55Å; W49-F75 HydrophobicContact CH2-CD1 4.46Å; W49-F75 HydrophobicContact CZ3-CB 4.33Å; W49-F75 AromaticContact CZ3-CD1 3.38Å; W49-F75 HydrophobicContact CZ3-CD1 3.38Å; W49-F75 HydrophobicContact CZ3-CD2 4.31Å; W49-F75 AromaticContact CZ3-CE1 3.68Å; W49-F75 HydrophobicContact CZ3-CE1 3.68Å; W49-F75 AromaticContact CZ3-CG 3.73Å; W49-F75 HydrophobicContact CZ3-CG 3.73Å; W49-F75 HydrophobicContact CZ3-CZ 4.25Å; H52-F75 HydrophobicContact CB-CD2 3.95Å; H52-F75 HydrophobicContact CB-CE2 3.76Å; W57-F75 AromaticContact CD1-CD2 3.97Å; W57-F75 HydrophobicContact CZ2-CE2 4.44Å; W57-F75 HydrophobicContact CZ2-CZ 4.49Å; W57-F75 AromaticContact NE1-CD2 3.35Å; W57-F75 AromaticContact NE1-CE2 3.43Å; W71-F75 WeakPolarHBondContact O-CB 3.42Å; W71-F75 PolarHBondContact O-N 2.95Å; Y72-F75 PolarHBondContact O-N 2.83Å; F75-L77 PolarHBondContact O-N 3.41Å; F75-Y78 PolarHBondContact O-N 2.88Å; F75-F79 HydrophobicContact CD1-CB 4.27Å; F75-F79 HydrophobicContact CE1-CB 4.12Å; F75-F79 AromaticContact CE1-CD2 3.83Å; F75-F79 HydrophobicContact CE1-CD2 3.83Å; F75-F79 HydrophobicContact CE1-CG 4.21Å; F75-F79 HydrophobicContact CZ-CD2 4.14Å; F75-F79 WeakPolarHBondContact O-CB 3.26Å; F75-F79 PolarHBondContact O-N 2.89Å; F75-I86 HydrophobicContact CZ-CD1 3.98Å
76K94.6Very high94.6Very high122 Ų12259 Ų5953%0.5332%0.315SS..Hα-helixtrans-60.3-43.7176.4-74.7-171.272-177.50112.7Y72 G73 L74 F79 A80Y72-K76 HydrophobicContact CD1-CD 4.4Å; Y72-K76 HydrophobicContact CD2-CG 4.45Å; Y72-K76 HydrophobicContact CE1-CD 3.76Å; Y72-K76 HydrophobicContact CE1-CG 4.48Å; Y72-K76 HydrophobicContact CE2-CD 4.12Å; Y72-K76 HydrophobicContact CE2-CG 4.06Å; Y72-K76 WeakPolarHBondContact O-CG 3.24Å; Y72-K76 PolarHBondContact O-N 2.77Å; G73-K76 PolarHBondContact O-N 2.91Å; L74-K76 VanDerWaalsContact C-N 3.28Å; L74-K76 PolarHBondContact O-N 2.94Å; K76-F79 PolarHBondContact O-N 3.06Å; K76-A80 WeakPolarHBondContact O-CB 3.17Å; K76-A80 PolarHBondContact O-N 2.86Å
77L95.1Very high94.8Very high90 Ų9060 Ų6047%0.47131%0.312SS..Hα-helixtrans-63.5-49.4-179.6-176.7146000111.1L69 G73 L74 F75 A80 D81L69-L77 HydrophobicContact CD1-CD1 4.19Å; G73-L77 WeakPolarHBondContact O-CB 3.12Å; G73-L77 PolarHBondContact O-N 3.37Å; L74-L77 PolarHBondContact O-N 3.24Å; F75-L77 PolarHBondContact O-N 3.41Å; L77-A80 PolarHBondContact O-N 2.71Å; L77-D81 PolarHBondContact O-N 3.48Å
78Y95.6Very high95.2Very high38 Ų3855.9 Ų55.915%0.14930%0.296CS..Hα-helixtrans-68.4-35177.4-85.3-108.6000112W57 L59 L74 F75 A80 D81 L82W57-Y78 HydrophobicContact CB-CD1 3.93Å; W57-Y78 HydrophobicContact CB-CG 4.41Å; W57-Y78 HydrophobicContact CD2-CD1 4.39Å; W57-Y78 HydrophobicContact CG-CD1 4.05Å; W57-Y78 HydrophobicContact CG-CG 4.19Å; L59-Y78 HydrophobicContact CD1-CD1 4.46Å; L59-Y78 HydrophobicContact CD1-CD2 3.99Å; L59-Y78 HydrophobicContact CD1-CE1 4.42Å; L59-Y78 HydrophobicContact CD1-CE2 3.94Å; L59-Y78 HydrophobicContact CD1-CG 4.26Å; L59-Y78 HydrophobicContact CD2-CE1 3.97Å; L59-Y78 HydrophobicContact CD2-CE2 4.15Å; L74-Y78 WeakPolarHBondContact O-CD2 3.33Å; L74-Y78 PolarHBondContact O-N 2.82Å; F75-Y78 PolarHBondContact O-N 2.88Å; Y78-A80 VanDerWaalsContact C-N 3.32Å; Y78-A80 PolarHBondContact O-N 2.85Å; Y78-D81 PolarHBondContact O-N 2.98Å; Y78-L82 HydrophobicContact CD1-CD1 3.95Å; Y78-L82 HydrophobicContact CE1-CD1 4.42Å; Y78-L82 WeakPolarHBondContact O-CA 2.91Å; Y78-L82 WeakPolarHBondContact O-CB 3.31Å; Y78-L82 PolarHBondContact O-N 2.99Å
79F96.4Very high95.5Very high87 Ų8754 Ų5438%0.38227%0.268SS..Hα-helixtrans-67.5-33.2176-170-87000112.1F26 W57 F75 K76 D81 G83 I86F26-F79 HydrophobicContact CE2-CD2 4.36Å; F26-F79 AromaticContact CE2-CE2 3.7Å; F26-F79 HydrophobicContact CE2-CE2 3.7Å; F26-F79 HydrophobicContact CE2-CZ 4.33Å; F26-F79 HydrophobicContact CZ-CE2 4.04Å; W57-F79 HydrophobicContact CZ2-CB 4.37Å; W57-F79 HydrophobicContact CZ2-CD2 4.21Å; F75-F79 HydrophobicContact CD1-CB 4.27Å; F75-F79 HydrophobicContact CE1-CB 4.12Å; F75-F79 AromaticContact CE1-CD2 3.83Å; F75-F79 HydrophobicContact CE1-CD2 3.83Å; F75-F79 HydrophobicContact CE1-CG 4.21Å; F75-F79 HydrophobicContact CZ-CD2 4.14Å; F75-F79 WeakPolarHBondContact O-CB 3.26Å; F75-F79 PolarHBondContact O-N 2.89Å; K76-F79 PolarHBondContact O-N 3.06Å; F79-D81 VanDerWaalsContact C-N 3.29Å; F79-D81 PolarHBondContact O-N 2.95Å; F79-G83 WeakPolarHBondContact O-CA 3.22Å; F79-G83 PolarHBondContact O-N 2.9Å; F79-I86 HydrophobicContact CD2-CD1 3.94Å; F79-I86 HydrophobicContact CE2-CD1 3.93Å
80A95.8Very high95.8Very high88 Ų8851.8 Ų51.873%0.72726%0.259SS*.Hα-helixtrans-65.1-35175.600000112.4K76 L77 Y78K76-A80 WeakPolarHBondContact O-CB 3.17Å; K76-A80 PolarHBondContact O-N 2.86Å; L77-A80 PolarHBondContact O-N 2.71Å; Y78-A80 VanDerWaalsContact C-N 3.32Å; Y78-A80 PolarHBondContact O-N 2.85Å
81D94.6Very high96Very high87 Ų8753.7 Ų53.747%0.46526%0.262SS..Hα-helixtrans-91.4-47.9-178.2178.433.7000113.2L77 Y78 F79 R143L77-D81 PolarHBondContact O-N 3.48Å; Y78-D81 PolarHBondContact O-N 2.98Å; F79-D81 VanDerWaalsContact C-N 3.29Å; F79-D81 PolarHBondContact O-N 2.95Å; D81-R143 PolarHBondContact O-NH1 2.89Å; D81-R143 IonicContact OD1-CZ 2.75Å; D81-R143 IonicContact OD1-NH1 2.74Å; D81-R143 PolarHBondContact OD1-NH1 3.09Å; D81-R143 IonicContact OD1-NH2 3.39Å; D81-R143 PolarHBondContact OD1-NH2 3.02Å; D81-R143 IonicContact OD2-NH2 3.49Å; D81-R143 PolarHBondContact OD2-NH2 2.83Å
82L95.8Very high96.2Very high10 Ų1053.4 Ų53.45%0.05226%0.261CS..Hα-helixtrans-112.13.9-171.9-66.1166.1000113.3W57 Y78 R84 Y85 I86 Y89 R143W57-L82 HydrophobicContact CE3-CB 4.33Å; W57-L82 HydrophobicContact CH2-CB 4.21Å; W57-L82 HydrophobicContact CZ3-CB 3.75Å; Y78-L82 HydrophobicContact CD1-CD1 3.95Å; Y78-L82 HydrophobicContact CE1-CD1 4.42Å; Y78-L82 WeakPolarHBondContact O-CA 2.91Å; Y78-L82 WeakPolarHBondContact O-CB 3.31Å; Y78-L82 PolarHBondContact O-N 2.99Å; L82-R84 PolarHBondContact O-N 3.35Å; L82-R84 VanDerWaalsContact O-N 3.16Å; L82-Y85 HydrophobicContact CD2-CD2 4.16Å; L82-Y85 CarbonylContact O-C 3.59Å; L82-Y85 PolarHBondContact O-N 2.78Å; L82-I86 PolarHBondContact O-N 3.18Å; L82-Y89 HydrophobicContact CD1-CD2 4.01Å; L82-Y89 HydrophobicContact CD1-CE1 4.29Å; L82-Y89 HydrophobicContact CD1-CE2 3.57Å; L82-Y89 HydrophobicContact CD2-CD2 3.94Å; L82-Y89 HydrophobicContact CD2-CE2 3.92Å; L82-Y89 HydrophobicContact CG-CD2 4.48Å; L82-Y89 HydrophobicContact CG-CE2 4.37Å; L82-R143 VanDerWaalsContact CD2-CZ 3.42Å
83G96.4Very high96.4Very high12 Ų1253.6 Ų53.612%0.12426%0.263CS..G310 helixtrans-56.8-32.2-177.100000113.8F79 Y85 I86F79-G83 WeakPolarHBondContact O-CA 3.22Å; F79-G83 PolarHBondContact O-N 2.9Å; G83-Y85 PolarHBondContact O-N 2.05Å; G83-I86 WeakPolarHBondContact O-CB 3.31Å; G83-I86 WeakPolarHBondContact O-CG2 3.49Å; G83-I86 PolarHBondContact O-N 2.64Å
84R96.4Very high96.6Very high101 Ų10156 Ų5638%0.38127%0.27SS..G310 helixtrans-53.5-38.9171.7-178.2175.4175.7174.9-0.7111.8L82 E127 D136 R139L82-R84 PolarHBondContact O-N 3.35Å; L82-R84 VanDerWaalsContact O-N 3.16Å; R84-E127 IonicContact NH2-OE1 3.83Å; R84-D136 IonicContact CZ-OD1 3.35Å; R84-D136 IonicContact NE-OD1 3.9Å; R84-D136 PolarHBondContact NE-OD1 2.93Å; R84-D136 IonicContact NH2-OD1 3.99Å; R84-D136 PolarHBondContact NH2-OD1 3.44Å; R84-R139 VanDerWaalsContact NH1-NE 3.11Å
85Y97.9Very high96.8Very high0 Ų056.1 Ų56.10%027%0.272CS..G310 helixtrans-104.116.4-173.9-43.1-63.3000114.2L82 G83 R87 Y88 Y89 E120 D136 R139 C140 R143L82-Y85 HydrophobicContact CD2-CD2 4.16Å; L82-Y85 CarbonylContact O-C 3.59Å; L82-Y85 PolarHBondContact O-N 2.78Å; G83-Y85 PolarHBondContact O-N 2.05Å; Y85-R87 PolarHBondContact O-N 3.33Å; Y85-Y88 PolarHBondContact O-N 3.19Å; Y85-Y89 WeakPolarHBondContact O-CB 3.47Å; Y85-Y89 PolarHBondContact O-N 2.98Å; Y85-E120 WeakPolarHBondContact CE2-OE1 3.37Å; Y85-E120 VanDerWaalsContact CZ-OE1 3.22Å; Y85-E120 VanDerWaalsContact OH-CD 3.25Å; Y85-E120 PolarHBondContact OH-OE1 2.66Å; Y85-E120 PolarHBondContact OH-OE2 3.37Å; Y85-E120 VanDerWaalsContact OH-OE2 3.07Å; Y85-D136 HydrophobicContact CD1-CB 4.12Å; Y85-D136 WeakPolarHBondContact CD1-O 3.33Å; Y85-D136 HydrophobicContact CE1-CB 4.31Å; Y85-D136 WeakPolarHBondContact CE1-O 3.39Å; Y85-R139 HydrophobicContact CE1-CB 3.63Å; Y85-R139 PolarHBondContact OH-NE 2.64Å; Y85-C140 VanDerWaalsContact CB-SG 3.53Å; Y85-C140 HydrophobicContact CD1-CB 3.68Å; Y85-C140 HydrophobicContact CD2-CB 4.28Å; Y85-C140 HydrophobicContact CE1-CB 4.39Å; Y85-C140 HydrophobicContact CG-CB 3.61Å; Y85-R143 VanDerWaalsContact CE2-CD 3.46Å
86I96.7Very high96.9Very high16 Ų1655.8 Ų55.88%0.08227%0.271CS..THydrogen-bonded Turntrans-53.9-23.4-175.1-167163.7000114.5F26 H56 W57 F75 F79 L82 G83F26-I86 HydrophobicContact CD1-CD1 4.24Å; F26-I86 HydrophobicContact CE1-CD1 3.59Å; F26-I86 HydrophobicContact CE2-CD1 4.26Å; F26-I86 HydrophobicContact CZ-CD1 3.6Å; H56-I86 HydrophobicContact CB-CD1 4.42Å; H56-I86 HydrophobicContact CB-CG1 3.99Å; H56-I86 WeakPolarHBondContact ND1-CG1 3.38Å; H56-I86 PolarHBondContact ND1-O 2.94Å; W57-I86 HydrophobicContact CH2-CB 3.63Å; W57-I86 HydrophobicContact CH2-CD1 3.92Å; W57-I86 HydrophobicContact CH2-CG1 3.56Å; W57-I86 HydrophobicContact CZ2-CB 4.32Å; W57-I86 HydrophobicContact CZ2-CD1 3.7Å; W57-I86 HydrophobicContact CZ2-CG1 3.82Å; W57-I86 HydrophobicContact CZ3-CB 4.34Å; W57-I86 HydrophobicContact CZ3-CG1 4.29Å; F75-I86 HydrophobicContact CZ-CD1 3.98Å; F79-I86 HydrophobicContact CD2-CD1 3.94Å; F79-I86 HydrophobicContact CE2-CD1 3.93Å; L82-I86 PolarHBondContact O-N 3.18Å; G83-I86 WeakPolarHBondContact O-CB 3.31Å; G83-I86 WeakPolarHBondContact O-CG2 3.49Å; G83-I86 PolarHBondContact O-N 2.64Å
87R96.3Very high97Very high182 Ų18253.5 Ų53.569%0.68726%0.262SS*.THydrogen-bonded Turntrans-80.3-27177.7-66.7-176.8173.4-177.5-3.1113.7Y85Y85-R87 PolarHBondContact O-N 3.33Å
88Y97.6Very high97.2Very high65 Ų6554 Ų5426%0.25526%0.262SS..THydrogen-bonded Turntrans-112.9-31.5-169.3-48.3-68.4000112.7Y85 A90 E91 L92 D136 D137 L242Y85-Y88 PolarHBondContact O-N 3.19Å; Y88-A90 PolarHBondContact O-N 3Å; Y88-E91 PolarHBondContact O-N 3.4Å; Y88-L92 PolarHBondContact O-N 3.41Å; Y88-D136 HydrophobicContact CD2-CB 4.16Å; Y88-D136 HydrophobicContact CE2-CB 3.68Å; Y88-D137 HydrophobicContact CD1-CB 3.77Å; Y88-D137 HydrophobicContact CD2-CB 4.27Å; Y88-D137 HydrophobicContact CE1-CB 4.06Å; Y88-D137 HydrophobicContact CG-CB 3.87Å; Y88-L242 HydrophobicContact CD1-CD2 4.03Å
89Y98.1Very high97.3Very high31 Ų3152.2 Ų52.212%0.12226%0.255CS..Hα-helixtrans-54.6-51.6-167.3-179.3-94.8000113.8H56 W57 L82 Y85 E91 L92 K93 C140 I144H56-Y89 WeakPolarHBondContact O-CD1 3.28Å; W57-Y89 AromaticContact CE3-CD1 3.82Å; W57-Y89 HydrophobicContact CE3-CD1 3.82Å; W57-Y89 HydrophobicContact CE3-CE1 4.37Å; W57-Y89 HydrophobicContact CE3-CG 4.28Å; W57-Y89 HydrophobicContact CZ3-CD1 4.35Å; W57-Y89 HydrophobicContact CZ3-CG 4.37Å; L82-Y89 HydrophobicContact CD1-CD2 4.01Å; L82-Y89 HydrophobicContact CD1-CE1 4.29Å; L82-Y89 HydrophobicContact CD1-CE2 3.57Å; L82-Y89 HydrophobicContact CD2-CD2 3.94Å; L82-Y89 HydrophobicContact CD2-CE2 3.92Å; L82-Y89 HydrophobicContact CG-CD2 4.48Å; L82-Y89 HydrophobicContact CG-CE2 4.37Å; Y85-Y89 WeakPolarHBondContact O-CB 3.47Å; Y85-Y89 PolarHBondContact O-N 2.98Å; Y89-E91 VanDerWaalsContact C-N 3.3Å; Y89-E91 PolarHBondContact O-N 2.89Å; Y89-L92 PolarHBondContact O-N 3.08Å; Y89-K93 HydrophobicContact CE1-CB 4.33Å; Y89-K93 HydrophobicContact CE1-CG 4.4Å; Y89-K93 WeakPolarHBondContact O-CB 3.46Å; Y89-K93 PolarHBondContact O-N 3.44Å; Y89-C140 WeakPolarHBondContact CA-SG 3.11Å; Y89-I144 HydrophobicContact CE2-CD1 4.49Å; Y89-I144 HydrophobicContact CE2-CG1 4.38Å
90A97.8Very high97.3Very high19 Ų1950.1 Ų50.116%0.15725%0.246CC..Hα-helixtrans-60.3-40.8-177.200000112.2K55 L58 Y88 N94K55-A90 VanDerWaalsContact O-CB 3.32Å; K55-A90 WeakPolarHBondContact O-CB 3.43Å; L58-A90 HydrophobicContact CD2-CB 4.12Å; L58-A90 HydrophobicContact CG-CB 4.25Å; Y88-A90 PolarHBondContact O-N 3Å; A90-N94 WeakPolarHBondContact O-CB 3.44Å; A90-N94 VanDerWaalsContact O-CG 3.26Å; A90-N94 PolarHBondContact O-N 3.08Å; A90-N94 PolarHBondContact O-ND2 3.08Å; A90-N94 VanDerWaalsContact O-ND2 3.1Å
91E98.3Very high97.4Very high94 Ų9449.4 Ų49.444%0.43924%0.235SC..Hα-helixtrans-71.9-49.4-178.5-165.1179.6142.700111.5Y88 Y89 K93 N94 A95 L242 S246Y88-E91 PolarHBondContact O-N 3.4Å; Y89-E91 VanDerWaalsContact C-N 3.3Å; Y89-E91 PolarHBondContact O-N 2.89Å; E91-K93 VanDerWaalsContact C-N 3.33Å; E91-K93 PolarHBondContact O-N 2.91Å; E91-N94 PolarHBondContact O-N 3.48Å; E91-A95 PolarHBondContact O-N 3.23Å; E91-L242 HydrophobicContact CB-CD1 3.97Å; E91-L242 HydrophobicContact CG-CD1 3.89Å; E91-S246 PolarHBondContact OE1-OG 2.87Å
92L98.6Very high97.5Very high0 Ų046.9 Ų46.90%022%0.22CC..Hα-helixtrans-61.4-41.3177.2-72.2167.7000112Y88 Y89 A95 W96 D137 C140 I144 F241 L242 F245Y88-L92 PolarHBondContact O-N 3.41Å; Y89-L92 PolarHBondContact O-N 3.08Å; L92-A95 PolarHBondContact O-N 3.09Å; L92-W96 WeakPolarHBondContact O-CB 3.39Å; L92-W96 VanDerWaalsContact O-CD1 3.23Å; L92-W96 PolarHBondContact O-N 3.49Å; L92-D137 VanDerWaalsContact CD1-O 3.26Å; L92-D137 WeakPolarHBondContact CD1-O 3.48Å; L92-C140 HydrophobicContact CD1-CB 3.71Å; L92-I144 HydrophobicContact CB-CD1 3.92Å; L92-F241 HydrophobicContact CD2-CD1 4.25Å; L92-F241 HydrophobicContact CD2-CE1 4.28Å; L92-L242 HydrophobicContact CD1-CD1 4.5Å; L92-L242 HydrophobicContact CD2-CD1 3.62Å; L92-L242 HydrophobicContact CG-CD1 3.64Å; L92-F245 HydrophobicContact CD2-CD1 4.29Å
93K98.1Very high97.5Very high52 Ų5246.5 Ų46.523%0.22622%0.218CC..Hα-helixtrans-62.9-44.6177.4-177.357.6170.9166.40110.9L58 Y89 E91 W96 E97 I144L58-K93 HydrophobicContact CD1-CB 3.83Å; L58-K93 HydrophobicContact CD1-CG 3.68Å; Y89-K93 HydrophobicContact CE1-CB 4.33Å; Y89-K93 HydrophobicContact CE1-CG 4.4Å; Y89-K93 WeakPolarHBondContact O-CB 3.46Å; Y89-K93 PolarHBondContact O-N 3.44Å; E91-K93 VanDerWaalsContact C-N 3.33Å; E91-K93 PolarHBondContact O-N 2.91Å; K93-W96 PolarHBondContact O-N 2.88Å; K93-E97 HydrophobicContact CD-CG 4.3Å; K93-E97 WeakPolarHBondContact CE-OE1 3.45Å; K93-E97 IonicContact NZ-OE1 3.96Å; K93-E97 PolarHBondContact NZ-OE1 2.63Å; K93-E97 WeakPolarHBondContact O-CG 3.14Å; K93-E97 PolarHBondContact O-N 2.73Å; K93-I144 HydrophobicContact CB-CD1 4.04Å; K93-I144 HydrophobicContact CD-CD1 4.4Å; K93-I144 HydrophobicContact CD-CG2 4.09Å
94N98.2Very high97.4Very high71 Ų7151.1 Ų51.138%0.3824%0.237SC..Hα-helixtrans-61.4-45.4174.2-79.3-31.6000112L58 A90 E91 W96 E97 Q98L58-N94 VanDerWaalsContact CD1-OD1 3.25Å; L58-N94 WeakPolarHBondContact CD1-OD1 3.32Å; A90-N94 WeakPolarHBondContact O-CB 3.44Å; A90-N94 VanDerWaalsContact O-CG 3.26Å; A90-N94 PolarHBondContact O-N 3.08Å; A90-N94 PolarHBondContact O-ND2 3.08Å; A90-N94 VanDerWaalsContact O-ND2 3.1Å; E91-N94 PolarHBondContact O-N 3.48Å; N94-W96 PolarHBondContact O-N 3.32Å; N94-E97 PolarHBondContact O-N 2.76Å; N94-Q98 WeakPolarHBondContact O-CB 3.41Å; N94-Q98 VanDerWaalsContact O-CG 3.26Å; N94-Q98 WeakPolarHBondContact O-CG 3.14Å; N94-Q98 PolarHBondContact O-N 3.35Å
95A98.5Very high97.2Very high7 Ų753.7 Ų53.76%0.05825%0.253CS..Hα-helixtrans-59.1-47.6177.700000111.5E91 L92 E97 Q98 L99 F245 V249E91-A95 PolarHBondContact O-N 3.23Å; L92-A95 PolarHBondContact O-N 3.09Å; A95-E97 PolarHBondContact O-N 3.5Å; A95-Q98 PolarHBondContact O-N 3.1Å; A95-L99 WeakPolarHBondContact O-CB 3.28Å; A95-L99 PolarHBondContact O-N 3.14Å; A95-F245 HydrophobicContact CB-CD1 4.27Å; A95-F245 HydrophobicContact CB-CE1 4.19Å; A95-V249 HydrophobicContact CB-CB 4.33Å; A95-V249 HydrophobicContact CB-CG1 4.32Å; A95-V249 HydrophobicContact CB-CG2 4.2Å; A95-V249 WeakPolarHBondContact O-CG1 3.38Å
96W98.3Very high97Very high0 Ų059.9 Ų59.90%028%0.276CS..Hα-helixtrans-61.1-44.1175.8-83.9115.3000113.1L92 K93 N94 L99 K100 L114 S141 I144 H145 L155 L170 F245L92-W96 WeakPolarHBondContact O-CB 3.39Å; L92-W96 VanDerWaalsContact O-CD1 3.23Å; L92-W96 PolarHBondContact O-N 3.49Å; K93-W96 PolarHBondContact O-N 2.88Å; N94-W96 PolarHBondContact O-N 3.32Å; W96-L99 HydrophobicContact CE3-CD2 4.25Å; W96-L99 HydrophobicContact CZ3-CD2 4.09Å; W96-L99 PolarHBondContact O-N 2.89Å; W96-K100 WeakPolarHBondContact O-CB 3.44Å; W96-K100 VanDerWaalsContact O-CG 3.28Å; W96-K100 WeakPolarHBondContact O-CG 3.49Å; W96-K100 PolarHBondContact O-N 3.28Å; W96-L114 HydrophobicContact CZ3-CD1 4.36Å; W96-L114 HydrophobicContact CZ3-CD2 4.19Å; W96-S141 PolarHBondContact NE1-OG 2.67Å; W96-I144 HydrophobicContact CB-CG2 4Å; W96-I144 HydrophobicContact CG-CG2 3.91Å; W96-H145 HydrophobicContact CD2-CB 4.25Å; W96-H145 AromaticContact CD2-CD2 3.74Å; W96-H145 HydrophobicContact CE3-CB 4.27Å; W96-H145 AromaticContact CE3-CD2 3.66Å; W96-H145 HydrophobicContact CH2-CB 3.95Å; W96-H145 HydrophobicContact CZ2-CB 3.91Å; W96-H145 HydrophobicContact CZ3-CB 4.12Å; W96-L155 HydrophobicContact CH2-CD2 3.91Å; W96-L155 HydrophobicContact CZ3-CD2 3.97Å; W96-L170 HydrophobicContact CH2-CD2 3.86Å; W96-L170 HydrophobicContact CZ2-CD2 4.13Å; W96-F245 AromaticContact CD1-CE1 3.88Å; W96-F245 AromaticContact CD2-CE1 3.69Å; W96-F245 HydrophobicContact CD2-CE1 3.69Å; W96-F245 AromaticContact CD2-CZ 3.55Å; W96-F245 HydrophobicContact CD2-CZ 3.55Å; W96-F245 AromaticContact CE2-CE1 3.5Å; W96-F245 VanDerWaalsContact CE2-CE1 3.5Å; W96-F245 AromaticContact CE2-CZ 3.37Å; W96-F245 HydrophobicContact CE3-CE1 4.28Å; W96-F245 AromaticContact CE3-CZ 3.71Å; W96-F245 HydrophobicContact CE3-CZ 3.71Å; W96-F245 AromaticContact CG-CE1 3.94Å; W96-F245 HydrophobicContact CG-CE1 3.94Å; W96-F245 HydrophobicContact CG-CZ 4.29Å; W96-F245 AromaticContact CH2-CE2 3.92Å; W96-F245 HydrophobicContact CH2-CE2 3.92Å; W96-F245 AromaticContact CH2-CZ 3.58Å; W96-F245 HydrophobicContact CH2-CZ 3.58Å; W96-F245 AromaticContact CZ2-CE1 3.95Å; W96-F245 HydrophobicContact CZ2-CE1 3.95Å; W96-F245 AromaticContact CZ2-CE2 3.87Å; W96-F245 HydrophobicContact CZ2-CE2 3.87Å; W96-F245 AromaticContact CZ2-CZ 3.4Å; W96-F245 HydrophobicContact CZ2-CZ 3.4Å; W96-F245 VanDerWaalsContact CZ2-CZ 3.4Å; W96-F245 HydrophobicContact CZ3-CE2 4.37Å; W96-F245 AromaticContact CZ3-CZ 3.73Å; W96-F245 HydrophobicContact CZ3-CZ 3.73Å; W96-F245 AromaticContact NE1-CE1 3.62Å; W96-F245 AromaticContact NE1-CZ 3.99Å
97E97.6Very high96.9Very high73 Ų7359.1 Ų59.134%0.34127%0.273SS..Hα-helixtrans-66.6-39.2178.6-68.9-51.7146.300112.4K93 N94 A95 K100 S101K93-E97 HydrophobicContact CD-CG 4.3Å; K93-E97 WeakPolarHBondContact CE-OE1 3.45Å; K93-E97 IonicContact NZ-OE1 3.96Å; K93-E97 PolarHBondContact NZ-OE1 2.63Å; K93-E97 WeakPolarHBondContact O-CG 3.14Å; K93-E97 PolarHBondContact O-N 2.73Å; N94-E97 PolarHBondContact O-N 2.76Å; A95-E97 PolarHBondContact O-N 3.5Å; E97-K100 VanDerWaalsContact CD-CE 3.48Å; E97-K100 VanDerWaalsContact CD-NZ 3.35Å; E97-K100 PolarHBondContact O-N 3.21Å; E97-K100 WeakPolarHBondContact OE1-CE 3.43Å; E97-K100 IonicContact OE1-NZ 3.91Å; E97-K100 PolarHBondContact OE1-NZ 3.36Å; E97-K100 WeakPolarHBondContact OE2-CE 2.94Å; E97-K100 IonicContact OE2-NZ 3.84Å; E97-K100 PolarHBondContact OE2-NZ 2.77Å; E97-S101 VanDerWaalsContact O-CB 3.27Å; E97-S101 WeakPolarHBondContact O-CB 3.37Å; E97-S101 PolarHBondContact O-N 3.49Å
98Q97.9Very high96.7Very high101 Ų10153 Ų5347%0.47226%0.256SS..Hα-helixtrans-62.8-48.5174.5-72.8175.723.300111.3N94 A95 K100 S101 F102 V249 V253N94-Q98 WeakPolarHBondContact O-CB 3.41Å; N94-Q98 VanDerWaalsContact O-CG 3.26Å; N94-Q98 WeakPolarHBondContact O-CG 3.14Å; N94-Q98 PolarHBondContact O-N 3.35Å; A95-Q98 PolarHBondContact O-N 3.1Å; Q98-K100 VanDerWaalsContact C-N 3.34Å; Q98-K100 PolarHBondContact O-N 2.97Å; Q98-S101 PolarHBondContact O-N 2.7Å; Q98-F102 VanDerWaalsContact O-CB 3.32Å; Q98-F102 WeakPolarHBondContact O-CB 3.38Å; Q98-F102 PolarHBondContact O-N 3.48Å; Q98-V249 HydrophobicContact CB-CG1 4.28Å; Q98-V253 HydrophobicContact CB-CG1 4.29Å
99L97.9Very high96.4Very high1 Ų158.5 Ų58.51%0.00528%0.277CS..Hα-helixtrans-58.7-47.2177.4-174.464.7000110.8A95 W96 F102 L103 L155 F245 V249 V252A95-L99 WeakPolarHBondContact O-CB 3.28Å; A95-L99 PolarHBondContact O-N 3.14Å; W96-L99 HydrophobicContact CE3-CD2 4.25Å; W96-L99 HydrophobicContact CZ3-CD2 4.09Å; W96-L99 PolarHBondContact O-N 2.89Å; L99-F102 PolarHBondContact O-N 2.69Å; L99-L103 HydrophobicContact CD1-CD1 3.69Å; L99-L103 HydrophobicContact CD1-CG 3.99Å; L99-L103 HydrophobicContact CD2-CD1 4.45Å; L99-L103 HydrophobicContact CG-CD1 3.8Å; L99-L103 HydrophobicContact CG-CG 4.33Å; L99-L103 WeakPolarHBondContact O-CB 3.37Å; L99-L103 WeakPolarHBondContact O-CG 3.31Å; L99-L103 PolarHBondContact O-N 3.2Å; L99-L155 HydrophobicContact CD2-CD1 4.14Å; L99-L155 HydrophobicContact CD2-CD2 4.48Å; L99-F245 HydrophobicContact CD2-CE2 4.36Å; L99-F245 HydrophobicContact CD2-CZ 3.95Å; L99-V249 HydrophobicContact CB-CG1 4.04Å; L99-V249 HydrophobicContact CB-CG2 3.97Å; L99-V249 HydrophobicContact CD1-CG2 4.34Å; L99-V249 HydrophobicContact CD2-CG2 4.05Å; L99-V249 HydrophobicContact CG-CG2 4.34Å; L99-V252 HydrophobicContact CD1-CB 4.23Å; L99-V252 HydrophobicContact CD1-CG1 3.95Å
100K97.3Very high96.2Very high42 Ų4257.1 Ų57.118%0.18327%0.271CS..Hα-helixtrans-61.5-49.4179.1-77.8-172.5-60.7-174.40112.2W96 E97 Q98 F102 L103 Q104 I111 L114 H145W96-K100 WeakPolarHBondContact O-CB 3.44Å; W96-K100 VanDerWaalsContact O-CG 3.28Å; W96-K100 WeakPolarHBondContact O-CG 3.49Å; W96-K100 PolarHBondContact O-N 3.28Å; E97-K100 VanDerWaalsContact CD-CE 3.48Å; E97-K100 VanDerWaalsContact CD-NZ 3.35Å; E97-K100 PolarHBondContact O-N 3.21Å; E97-K100 WeakPolarHBondContact OE1-CE 3.43Å; E97-K100 IonicContact OE1-NZ 3.91Å; E97-K100 PolarHBondContact OE1-NZ 3.36Å; E97-K100 WeakPolarHBondContact OE2-CE 2.94Å; E97-K100 IonicContact OE2-NZ 3.84Å; E97-K100 PolarHBondContact OE2-NZ 2.77Å; Q98-K100 VanDerWaalsContact C-N 3.34Å; Q98-K100 PolarHBondContact O-N 2.97Å; K100-F102 VanDerWaalsContact C-N 3.29Å; K100-F102 PolarHBondContact O-N 2.99Å; K100-L103 PolarHBondContact O-N 2.99Å; K100-Q104 WeakPolarHBondContact O-CB 3.23Å; K100-Q104 PolarHBondContact O-N 3.17Å; K100-I111 HydrophobicContact CB-CD1 4.16Å; K100-I111 HydrophobicContact CG-CD1 4.03Å; K100-L114 HydrophobicContact CD-CD1 4.37Å; K100-L114 HydrophobicContact CG-CD1 4.07Å; K100-H145 WeakPolarHBondContact CD-NE2 3.5Å; K100-H145 PolarHBondContact NZ-NE2 3.01Å; K100-H145 VanDerWaalsContact NZ-NE2 3.18Å
101S96.7Very high96Very high73 Ų7357.6 Ų57.651%0.5127%0.271SS..Hα-helixtrans-58.2-44.2179.6-173.30000111.5E97 Q98E97-S101 VanDerWaalsContact O-CB 3.27Å; E97-S101 WeakPolarHBondContact O-CB 3.37Å; E97-S101 PolarHBondContact O-N 3.49Å; Q98-S101 PolarHBondContact O-N 2.7Å
102F96.6Very high95.9Very high35 Ų3558.4 Ų58.415%0.15428%0.282CS..Hα-helixtrans-66.7-48.9179.2-174.7-92.6000112.4Q98 L99 K100 Q105 V252 V253 I259Q98-F102 VanDerWaalsContact O-CB 3.32Å; Q98-F102 WeakPolarHBondContact O-CB 3.38Å; Q98-F102 PolarHBondContact O-N 3.48Å; L99-F102 PolarHBondContact O-N 2.69Å; K100-F102 VanDerWaalsContact C-N 3.29Å; K100-F102 PolarHBondContact O-N 2.99Å; F102-Q105 PolarHBondContact O-N 2.72Å; F102-V252 HydrophobicContact CD1-CG1 3.79Å; F102-V252 HydrophobicContact CE1-CG1 3.75Å; F102-V252 WeakPolarHBondContact CE1-O 3.47Å; F102-V252 VanDerWaalsContact CZ-O 3.25Å; F102-V252 WeakPolarHBondContact CZ-O 3.36Å; F102-V253 HydrophobicContact CB-CG1 3.88Å; F102-V253 HydrophobicContact CD2-CB 4.24Å; F102-V253 HydrophobicContact CD2-CG1 4.4Å; F102-V253 HydrophobicContact CG-CB 4.42Å; F102-V253 HydrophobicContact CG-CG1 4.09Å; F102-I259 HydrophobicContact CE1-CD1 4.19Å; F102-I259 HydrophobicContact CE1-CG1 3.98Å; F102-I259 HydrophobicContact CZ-CG1 4.45Å
103L95.8Very high95.8Very high1 Ų158.7 Ų58.71%0.00528%0.284CS..Hα-helixtrans-74.3-26-177.8-65.4-178.8000112.8L99 K100 Q105 R106 C107 M110 I111 L155 V252 I259 I264L99-L103 HydrophobicContact CD1-CD1 3.69Å; L99-L103 HydrophobicContact CD1-CG 3.99Å; L99-L103 HydrophobicContact CD2-CD1 4.45Å; L99-L103 HydrophobicContact CG-CD1 3.8Å; L99-L103 HydrophobicContact CG-CG 4.33Å; L99-L103 WeakPolarHBondContact O-CB 3.37Å; L99-L103 WeakPolarHBondContact O-CG 3.31Å; L99-L103 PolarHBondContact O-N 3.2Å; K100-L103 PolarHBondContact O-N 2.99Å; L103-Q105 PolarHBondContact O-N 2.71Å; L103-Q105 VanDerWaalsContact O-N 3.17Å; L103-R106 PolarHBondContact O-N 2.99Å; L103-R106 VanDerWaalsContact O-N 3.15Å; L103-C107 HydrophobicContact CB-CB 4.26Å; L103-C107 HydrophobicContact CD2-CB 3.89Å; L103-C107 CarbonylContact O-C 3.52Å; L103-C107 WeakPolarHBondContact O-CA 3.44Å; L103-C107 PolarHBondContact O-N 2.65Å; L103-M110 HydrophobicContact CD1-CB 4.47Å; L103-M110 HydrophobicContact CD1-SD 4.26Å; L103-M110 HydrophobicContact CD2-SD 4.46Å; L103-I111 HydrophobicContact CB-CD1 3.79Å; L103-I111 HydrophobicContact CB-CG1 4.08Å; L103-L155 HydrophobicContact CD1-CD1 3.78Å; L103-V252 HydrophobicContact CD2-CG1 4.22Å; L103-I259 HydrophobicContact CD2-CD1 4.49Å; L103-I264 HydrophobicContact CD1-CD1 4.21Å; L103-I264 HydrophobicContact CD2-CD1 3.87Å; L103-I264 HydrophobicContact CD2-CG1 4.11Å
104Q95.2Very high95.7Very high110 Ų11057.1 Ų57.151%0.51428%0.278SS..Hα-helixtrans-57.6-32.3175.4-176.661.858.200112.2K100 I111K100-Q104 WeakPolarHBondContact O-CB 3.23Å; K100-Q104 PolarHBondContact O-N 3.17Å; Q104-I111 HydrophobicContact CB-CG1 4.48Å
105Q92.4Very high95.7Very high155 Ų15556.4 Ų56.472%0.72427%0.271SS*.Hα-helixtrans-87.8-21.9-179.1-60.6177.41500113.3F102 L103F102-Q105 PolarHBondContact O-N 2.72Å; L103-Q105 PolarHBondContact O-N 2.71Å; L103-Q105 VanDerWaalsContact O-N 3.17Å
106R93.4Very high95.7Very high129 Ų12962.7 Ų62.749%0.48730%0.304SS..Hα-helixtrans-122-29-167.3-59.7-176.1-174.4-86.41114.7L103 I259L103-R106 PolarHBondContact O-N 2.99Å; L103-R106 VanDerWaalsContact O-N 3.15Å; R106-I259 HydrophobicContact CB-CG2 4.42Å
107C93.7Very high95.7Very high1 Ų164.2 Ų64.21%0.00732%0.32CS..  trans-144.656.6-171.7-61.10000111.1L103 R109 M110 E262L103-C107 HydrophobicContact CB-CB 4.26Å; L103-C107 HydrophobicContact CD2-CB 3.89Å; L103-C107 CarbonylContact O-C 3.52Å; L103-C107 WeakPolarHBondContact O-CA 3.44Å; L103-C107 PolarHBondContact O-N 2.65Å; C107-R109 PolarHBondContact O-N 3.22Å; C107-R109 VanDerWaalsContact O-N 3.09Å; C107-M110 HydrophobicContact CB-CB 4.42Å; C107-M110 HydrophobicContact CB-CG 4.24Å; C107-M110 HydrophobicContact CB-SD 3.89Å; C107-M110 WeakPolarHBondContact O-CB 3.25Å; C107-M110 PolarHBondContact O-N 3.36Å; C107-E262 PolarHBondContact SG-O 3.26Å
108P92.3Very high95.7Very high52 Ų5261 Ų6134%0.33831%0.305SS..Hα-helixtrans-60.4-27.9-171.624.2-34.7000113.5M110 I111 V112P108-M110 VanDerWaalsContact C-N 3.3Å; P108-M110 PolarHBondContact O-N 3.19Å; P108-I111 PolarHBondContact O-N 3.21Å; P108-V112 WeakPolarHBondContact O-CG2 3.21Å; P108-V112 PolarHBondContact O-N 3.43Å
109R91.9Very high95.7Very high182 Ų18259.6 Ų59.669%0.68730%0.304SS*.Hα-helixtrans-62.5-35176.6-59.6-176.583.2176.94.3112.6C107 S113C107-R109 PolarHBondContact O-N 3.22Å; C107-R109 VanDerWaalsContact O-N 3.09Å; R109-S113 PolarHBondContact O-N 3.31Å
110M93.4Very high95.7Very high1 Ų161.9 Ų61.91%0.00532%0.315CS..Hα-helixtrans-66.9-39.7175.8-68.9178.6-17500111.1L103 C107 P108 V112 S113 L114 P153 Q263 I264L103-M110 HydrophobicContact CD1-CB 4.47Å; L103-M110 HydrophobicContact CD1-SD 4.26Å; L103-M110 HydrophobicContact CD2-SD 4.46Å; C107-M110 HydrophobicContact CB-CB 4.42Å; C107-M110 HydrophobicContact CB-CG 4.24Å; C107-M110 HydrophobicContact CB-SD 3.89Å; C107-M110 WeakPolarHBondContact O-CB 3.25Å; C107-M110 PolarHBondContact O-N 3.36Å; P108-M110 VanDerWaalsContact C-N 3.3Å; P108-M110 PolarHBondContact O-N 3.19Å; M110-V112 PolarHBondContact O-N 3.19Å; M110-S113 WeakPolarHBondContact CA-OG 3.37Å; M110-S113 PolarHBondContact O-N 3.08Å; M110-S113 VanDerWaalsContact O-N 3.15Å; M110-S113 PolarHBondContact O-OG 3.19Å; M110-L114 PolarHBondContact O-N 3.17Å; M110-P153 HydrophobicContact CE-CB 3.69Å; M110-P153 HydrophobicContact CE-CG 3.58Å; M110-P153 HydrophobicContact CG-CG 4.17Å; M110-Q263 HydrophobicContact CE-CB 4.44Å; M110-I264 HydrophobicContact CE-CD1 4.36Å; M110-I264 HydrophobicContact CE-CG1 4.22Å; M110-I264 HydrophobicContact SD-CD1 3.86Å; M110-I264 HydrophobicContact SD-CG1 4.21Å
111I94.8Very high95.7Very high30 Ų3062.7 Ų62.715%0.15433%0.329CS..Hα-helixtrans-61.5-46.3177.3-61.4-62000111.5K100 L103 Q104 P108 S113 L114K100-I111 HydrophobicContact CB-CD1 4.16Å; K100-I111 HydrophobicContact CG-CD1 4.03Å; L103-I111 HydrophobicContact CB-CD1 3.79Å; L103-I111 HydrophobicContact CB-CG1 4.08Å; Q104-I111 HydrophobicContact CB-CG1 4.48Å; P108-I111 PolarHBondContact O-N 3.21Å; I111-S113 PolarHBondContact O-N 3.04Å; I111-S113 VanDerWaalsContact O-N 3.14Å; I111-L114 HydrophobicContact CD1-CD1 4.21Å; I111-L114 WeakPolarHBondContact O-CB 3.33Å; I111-L114 PolarHBondContact O-N 3.09Å; I111-L114 VanDerWaalsContact O-N 3.07Å
112V94.8Very high95.8Very high110 Ų11063.7 Ų63.767%0.66733%0.326SS*.Hα-helixtrans-62.5-22.6179174.90000112.6P108 M110P108-V112 WeakPolarHBondContact O-CG2 3.21Å; P108-V112 PolarHBondContact O-N 3.43Å; M110-V112 PolarHBondContact O-N 3.19Å
113S96.2Very high95.8Very high6 Ų662 Ų624%0.04232%0.319CS..Hα-helixtrans-86.9-11.8178.169.70000114.4R109 M110 I111 Q148 K149R109-S113 PolarHBondContact O-N 3.31Å; M110-S113 WeakPolarHBondContact CA-OG 3.37Å; M110-S113 PolarHBondContact O-N 3.08Å; M110-S113 VanDerWaalsContact O-N 3.15Å; M110-S113 PolarHBondContact O-OG 3.19Å; I111-S113 PolarHBondContact O-N 3.04Å; I111-S113 VanDerWaalsContact O-N 3.14Å; S113-Q148 WeakPolarHBondContact OG-CG 3.48Å; S113-Q148 PolarHBondContact OG-NE2 3.29Å; S113-K149 WeakPolarHBondContact O-CG 3.29Å; S113-K149 PolarHBondContact O-N 2.87Å
114L97.4Very high96Very high19 Ų1965.3 Ų65.310%0.09934%0.336CS..BIsolated β-bridgetrans-63.9138.8175.2-61-179.1000110.1W96 K100 M110 I111 L155W96-L114 HydrophobicContact CZ3-CD1 4.36Å; W96-L114 HydrophobicContact CZ3-CD2 4.19Å; K100-L114 HydrophobicContact CD-CD1 4.37Å; K100-L114 HydrophobicContact CG-CD1 4.07Å; M110-L114 PolarHBondContact O-N 3.17Å; I111-L114 HydrophobicContact CD1-CD1 4.21Å; I111-L114 WeakPolarHBondContact O-CB 3.33Å; I111-L114 PolarHBondContact O-N 3.09Å; I111-L114 VanDerWaalsContact O-N 3.07Å; L114-L155 HydrophobicContact CD2-CD1 4.13Å; L114-L155 HydrophobicContact CD2-CD2 3.64Å; L114-L155 HydrophobicContact CD2-CG 4.44Å
115K98Very high96.1Very high56 Ų5665.3 Ų65.324%0.24334%0.34CS..PPolyproline II helixtrans-88.1152.9171.9-59.917893.6-1770109.3H145 N146 G147 K149 D172K115-H145 PolarHBondContact O-ND1 3.23Å; K115-H145 VanDerWaalsContact O-ND1 3.11Å; K115-N146 HydrophobicContact CB-CB 4.22Å; K115-N146 WeakPolarHBondContact CB-O 3.39Å; K115-N146 WeakPolarHBondContact CD-O 3.37Å; K115-N146 PolarHBondContact O-N 2.78Å; K115-G147 PolarHBondContact N-O 3.48Å; K115-K149 HydrophobicContact CG-CG 4.14Å; K115-D172 HydrophobicContact CD-CB 3.68Å; K115-D172 IonicContact NZ-OD1 3.05Å; K115-D172 IonicContact NZ-OD2 2.69Å; K115-D172 PolarHBondContact NZ-OD2 3.41Å
116D97.9Very high96.4Very high139 Ų13958.5 Ų58.574%0.74331%0.308SS*.PPolyproline II helixtrans-63.2161.7171.5-67.2-41000110.6N146D116-N146 WeakPolarHBondContact O-CB 3.5Å; D116-N146 PolarHBondContact O-N 3.28Å; D116-N146 VanDerWaalsContact O-N 3.11Å
117G98Very high96.6Very high32 Ų3252.7 Ų52.733%0.3329%0.286SS..PPolyproline II helixtrans-61.7140.9-18000000112.7Y142 R143G117-Y142 CarbonylContact C-O 3.32Å; G117-Y142 WeakPolarHBondContact CA-O 3.2Å; G117-R143 WeakPolarHBondContact CA-O 3.45Å
118A98.1Very high96.8Very high5 Ų556.5 Ų56.54%0.04132%0.318CS..PPolyproline II helixtrans-71.1148.9171.700000111E122 L123 Y142 R143 N146A118-E122 WeakPolarHBondContact CA-OE2 3.44Å; A118-L123 HydrophobicContact CB-CD2 4.06Å; A118-L123 HydrophobicContact CB-CG 4.07Å; A118-Y142 PolarHBondContact N-O 2.72Å; A118-R143 WeakPolarHBondContact O-CA 3.27Å; A118-R143 WeakPolarHBondContact O-CG 3.32Å; A118-N146 HydrophobicContact CB-CB 4.2Å
119T97.8Very high97Very high73 Ų7360 Ų6045%0.44833%0.33SS..PPolyproline II helixtrans-81159.8172.4650000111.3A121 E122 L123T119-A121 PolarHBondContact O-N 2.92Å; T119-E122 PolarHBondContact N-OE2 3.44Å; T119-E122 PolarHBondContact O-N 3.44Å; T119-E122 VanDerWaalsContact OG1-CG 3.25Å; T119-E122 WeakPolarHBondContact OG1-CG 3.5Å; T119-E122 PolarHBondContact OG1-N 2.82Å; T119-E122 PolarHBondContact OG1-OE2 2.8Å; T119-L123 WeakPolarHBondContact O-CG 3.48Å; T119-L123 PolarHBondContact O-N 2.84Å; T119-L123 VanDerWaalsContact O-N 3.11Å
120E97.1Very high97.3Very high48 Ų4851.8 Ų51.822%0.22430%0.299CS..Hα-helixtrans-58.1-39.5173.4-73.4-68.8157.800112Y85 L123 D124 R139 R143Y85-E120 WeakPolarHBondContact CE2-OE1 3.37Å; Y85-E120 VanDerWaalsContact CZ-OE1 3.22Å; Y85-E120 VanDerWaalsContact OH-CD 3.25Å; Y85-E120 PolarHBondContact OH-OE1 2.66Å; Y85-E120 PolarHBondContact OH-OE2 3.37Å; Y85-E120 VanDerWaalsContact OH-OE2 3.07Å; E120-L123 PolarHBondContact O-N 2.88Å; E120-D124 WeakPolarHBondContact O-CB 3.17Å; E120-D124 PolarHBondContact O-N 3.32Å; E120-R139 IonicContact OE2-CZ 2.73Å; E120-R139 IonicContact OE2-NE 2.65Å; E120-R139 IonicContact OE2-NH2 2.64Å; E120-R139 PolarHBondContact OE2-NH2 3.4Å; E120-R143 WeakPolarHBondContact OE1-CD 3.44Å; E120-R143 IonicContact OE1-CZ 2.76Å; E120-R143 IonicContact OE1-NE 3.67Å; E120-R143 IonicContact OE1-NH1 3.57Å; E120-R143 PolarHBondContact OE1-NH1 2.9Å
121A97.9Very high97.4Very high59 Ų5954.3 Ų54.349%0.48833%0.326SS..Hα-helixtrans-62.6-46.8179.200000111.6T119 L123 D124 D125T119-A121 PolarHBondContact O-N 2.92Å; A121-L123 VanDerWaalsContact C-N 3.32Å; A121-L123 PolarHBondContact O-N 2.9Å; A121-D124 PolarHBondContact O-N 2.7Å; A121-D125 WeakPolarHBondContact O-CB 3.16Å; A121-D125 VanDerWaalsContact O-CG 3.26Å; A121-D125 PolarHBondContact O-N 2.83Å
122E98.3Very high97.4Very high95 Ų9553.2 Ų53.244%0.44432%0.321SS..Hα-helixtrans-59.9-42.8175.6-72.3163.9147.400111.4A118 T119 D125 I126A118-E122 WeakPolarHBondContact CA-OE2 3.44Å; T119-E122 PolarHBondContact N-OE2 3.44Å; T119-E122 PolarHBondContact O-N 3.44Å; T119-E122 VanDerWaalsContact OG1-CG 3.25Å; T119-E122 WeakPolarHBondContact OG1-CG 3.5Å; T119-E122 PolarHBondContact OG1-N 2.82Å; T119-E122 PolarHBondContact OG1-OE2 2.8Å; E122-D125 PolarHBondContact O-N 2.83Å; E122-I126 VanDerWaalsContact O-CG1 3.32Å; E122-I126 WeakPolarHBondContact O-CG1 3.38Å; E122-I126 PolarHBondContact O-N 3.19Å
123L98.3Very high97.4Very high0 Ų054.3 Ų54.30%032%0.317CS..Hα-helixtrans-66.9-36.8177.9-66.2173.1000112.5A118 T119 E120 A121 I126 E127 L134 R139 R143 V173A118-L123 HydrophobicContact CB-CD2 4.06Å; A118-L123 HydrophobicContact CB-CG 4.07Å; T119-L123 WeakPolarHBondContact O-CG 3.48Å; T119-L123 PolarHBondContact O-N 2.84Å; T119-L123 VanDerWaalsContact O-N 3.11Å; E120-L123 PolarHBondContact O-N 2.88Å; A121-L123 VanDerWaalsContact C-N 3.32Å; A121-L123 PolarHBondContact O-N 2.9Å; L123-I126 PolarHBondContact O-N 3.42Å; L123-E127 WeakPolarHBondContact O-CG 3.48Å; L123-E127 PolarHBondContact O-N 3.38Å; L123-L134 HydrophobicContact CD2-CD1 4.27Å; L123-R139 VanDerWaalsContact CB-CZ 3.49Å; L123-R139 HydrophobicContact CD1-CB 4.05Å; L123-R139 HydrophobicContact CD1-CG 4.25Å; L123-R143 HydrophobicContact CD1-CG 3.75Å; L123-V173 HydrophobicContact CD2-CB 4.42Å; L123-V173 HydrophobicContact CD2-CG1 4.17Å; L123-V173 HydrophobicContact CD2-CG2 4.02Å
124D98.3Very high97.5Very high69 Ų6954.2 Ų54.237%0.36932%0.316SS..Hα-helixtrans-69-38.9176.5-70.6-13.9000111.8E120 A121 I126 E127 A128 R139E120-D124 WeakPolarHBondContact O-CB 3.17Å; E120-D124 PolarHBondContact O-N 3.32Å; A121-D124 PolarHBondContact O-N 2.7Å; D124-I126 VanDerWaalsContact C-N 3.32Å; D124-I126 PolarHBondContact O-N 3.48Å; D124-E127 PolarHBondContact O-N 3.37Å; D124-A128 WeakPolarHBondContact O-CB 3.07Å; D124-A128 PolarHBondContact O-N 3.32Å; D124-R139 IonicContact OD1-CZ 3.47Å; D124-R139 IonicContact OD1-NH1 3.53Å; D124-R139 PolarHBondContact OD1-NH1 3.39Å; D124-R139 VanDerWaalsContact OD1-NH1 3.09Å; D124-R139 IonicContact OD1-NH2 2.72Å; D124-R139 PolarHBondContact OD1-NH2 3.31Å
125D98.4Very high97.5Very high111 Ų11154 Ų5459%0.59432%0.315SS*.Hα-helixtrans-62.4-40.9173.9-71.8-21.1000110.9A121 E122 A128 Q129A121-D125 WeakPolarHBondContact O-CB 3.16Å; A121-D125 VanDerWaalsContact O-CG 3.26Å; A121-D125 PolarHBondContact O-N 2.83Å; E122-D125 PolarHBondContact O-N 2.83Å; D125-A128 PolarHBondContact O-N 3.17Å; D125-Q129 WeakPolarHBondContact O-CB 3.2Å; D125-Q129 PolarHBondContact O-N 3.5Å
126I98.3Very high97.5Very high12 Ų1253.9 Ų53.96%0.06232%0.318CS..Hα-helixtrans-62.8-46.4173.7-66.4-58.1000111.5E122 L123 D124 A128 Q129 I130 L134 V173 E174 A177E122-I126 VanDerWaalsContact O-CG1 3.32Å; E122-I126 WeakPolarHBondContact O-CG1 3.38Å; E122-I126 PolarHBondContact O-N 3.19Å; L123-I126 PolarHBondContact O-N 3.42Å; D124-I126 VanDerWaalsContact C-N 3.32Å; D124-I126 PolarHBondContact O-N 3.48Å; I126-A128 VanDerWaalsContact C-N 3.26Å; I126-A128 PolarHBondContact O-N 2.98Å; I126-Q129 WeakPolarHBondContact O-CB 3.38Å; I126-Q129 PolarHBondContact O-N 3.47Å; I126-Q129 VanDerWaalsContact O-N 3.14Å; I126-I130 HydrophobicContact CG2-CD1 4.46Å; I126-I130 HydrophobicContact CG2-CG2 4.44Å; I126-I130 WeakPolarHBondContact O-CG1 3.32Å; I126-I130 PolarHBondContact O-N 2.63Å; I126-L134 HydrophobicContact CG2-CD1 4.4Å; I126-V173 HydrophobicContact CB-CG2 4.41Å; I126-V173 HydrophobicContact CG1-CG1 4.22Å; I126-V173 HydrophobicContact CG1-CG2 4.19Å; I126-V173 HydrophobicContact CG2-CG2 4.03Å; I126-E174 HydrophobicContact CD1-CB 4.43Å; I126-A177 HydrophobicContact CD1-CB 3.86Å; I126-A177 HydrophobicContact CG2-CB 3.7Å
127E98.2Very high97.5Very high6 Ų647.7 Ų47.73%0.02828%0.284CS..Hα-helixtrans-59-39.4176.5-74.9-177.2171.100112R84 L123 D124 G131 C132 K133 L134 R139R84-E127 IonicContact NH2-OE1 3.83Å; L123-E127 WeakPolarHBondContact O-CG 3.48Å; L123-E127 PolarHBondContact O-N 3.38Å; D124-E127 PolarHBondContact O-N 3.37Å; E127-G131 WeakPolarHBondContact O-CA 3.31Å; E127-G131 PolarHBondContact O-N 3.3Å; E127-C132 WeakPolarHBondContact CA-O 3.37Å; E127-C132 WeakPolarHBondContact CB-O 3.08Å; E127-C132 WeakPolarHBondContact CG-O 3.15Å; E127-C132 PolarHBondContact O-N 3.21Å; E127-K133 VanDerWaalsContact CD-CD 3.5Å; E127-K133 HydrophobicContact CG-CD 4.43Å; E127-K133 WeakPolarHBondContact OE2-CD 3.39Å; E127-K133 WeakPolarHBondContact OE2-CE 3.25Å; E127-K133 IonicContact OE2-NZ 3.76Å; E127-K133 PolarHBondContact OE2-NZ 3.41Å; E127-L134 HydrophobicContact CG-CB 4.29Å; E127-L134 HydrophobicContact CG-CD1 4.12Å; E127-L134 HydrophobicContact CG-CG 3.79Å; E127-L134 PolarHBondContact OE1-N 2.91Å; E127-R139 IonicContact OE1-CZ 2.71Å; E127-R139 IonicContact OE1-NH1 3.33Å; E127-R139 PolarHBondContact OE1-NH1 3.15Å; E127-R139 IonicContact OE2-NH1 3.49Å; E127-R139 PolarHBondContact OE2-NH1 2.95Å
128A97.9Very high97.5Very high82 Ų8246.2 Ų46.268%0.67827%0.269SS*.Hα-helixtrans-65.3-40.8175.200000111.8D124 D125 I126D124-A128 WeakPolarHBondContact O-CB 3.07Å; D124-A128 PolarHBondContact O-N 3.32Å; D125-A128 PolarHBondContact O-N 3.17Å; I126-A128 VanDerWaalsContact C-N 3.26Å; I126-A128 PolarHBondContact O-N 2.98Å
129Q96.8Very high97.5Very high126 Ų12646 Ų4659%0.58927%0.267SS*.Hα-helixtrans-63.4-48.6176.8177.4-174.4-24.100112.3D125 I126 G131D125-Q129 WeakPolarHBondContact O-CB 3.2Å; D125-Q129 PolarHBondContact O-N 3.5Å; I126-Q129 WeakPolarHBondContact O-CB 3.38Å; I126-Q129 PolarHBondContact O-N 3.47Å; I126-Q129 VanDerWaalsContact O-N 3.14Å; Q129-G131 VanDerWaalsContact C-N 3.33Å
130I96.6Very high97.6Very high8 Ų842.5 Ų42.54%0.04125%0.246CC..Hα-helixtrans-82.8-12.6-176.870.4-179000112.9I126 C132 L134 A177 F180 L206I126-I130 HydrophobicContact CG2-CD1 4.46Å; I126-I130 HydrophobicContact CG2-CG2 4.44Å; I126-I130 WeakPolarHBondContact O-CG1 3.32Å; I126-I130 PolarHBondContact O-N 2.63Å; I130-C132 VanDerWaalsContact C-N 3.31Å; I130-C132 HydrophobicContact CD1-CB 4.16Å; I130-C132 HydrophobicContact CG1-CB 3.97Å; I130-C132 PolarHBondContact O-N 2.93Å; I130-L134 HydrophobicContact CD1-CD2 4.03Å; I130-A177 HydrophobicContact CG2-CB 3.84Å; I130-F180 HydrophobicContact CB-CD1 3.71Å; I130-F180 HydrophobicContact CB-CE1 3.94Å; I130-F180 HydrophobicContact CB-CG 4Å; I130-F180 HydrophobicContact CB-CZ 4.45Å; I130-F180 HydrophobicContact CG2-CB 3.99Å; I130-F180 HydrophobicContact CG2-CD1 4.13Å; I130-F180 HydrophobicContact CG2-CG 4.02Å; I130-F180 VanDerWaalsContact O-CE1 3.32Å; I130-F180 WeakPolarHBondContact O-CE1 3.43Å; I130-L206 HydrophobicContact CD1-CD1 3.57Å
131G95.9Very high97.6Very high54 Ų5440.2 Ų40.256%0.55724%0.235SC*.THydrogen-bonded Turntrans63.236-177.900000112.9E127 Q129 R188E127-G131 WeakPolarHBondContact O-CA 3.31Å; E127-G131 PolarHBondContact O-N 3.3Å; Q129-G131 VanDerWaalsContact C-N 3.33Å; G131-R188 PolarHBondContact O-NH1 3.44Å
132C94.4Very high97.7Very high8 Ų837.4 Ų37.45%0.05421%0.212CC..SBendtrans-151.6148.1-177.2-167.60000110.2E127 I130 F180 L206E127-C132 WeakPolarHBondContact CA-O 3.37Å; E127-C132 WeakPolarHBondContact CB-O 3.08Å; E127-C132 WeakPolarHBondContact CG-O 3.15Å; E127-C132 PolarHBondContact O-N 3.21Å; I130-C132 VanDerWaalsContact C-N 3.31Å; I130-C132 HydrophobicContact CD1-CB 4.16Å; I130-C132 HydrophobicContact CG1-CB 3.97Å; I130-C132 PolarHBondContact O-N 2.93Å; C132-F180 HydrophobicContact CB-CZ 4.1Å; C132-L206 HydrophobicContact CB-CD1 3.99Å; C132-L206 WeakPolarHBondContact SG-CB 3.33Å
133K96.6Very high97.7Very high132 Ų13235.1 Ų35.157%0.57420%0.199SC*.PPolyproline II helixtrans-80.2140.3174.8-68-60.9-177.8-179.50111.3E127E127-K133 VanDerWaalsContact CD-CD 3.5Å; E127-K133 HydrophobicContact CG-CD 4.43Å; E127-K133 WeakPolarHBondContact OE2-CD 3.39Å; E127-K133 WeakPolarHBondContact OE2-CE 3.25Å; E127-K133 IonicContact OE2-NZ 3.76Å; E127-K133 PolarHBondContact OE2-NZ 3.41Å
134L97.8Very high97.6Very high4 Ų436 Ų362%0.02120%0.204CC..PPolyproline II helixtrans-84.8140.3171.8-64173.7000109.2L123 I126 E127 I130 Y138 R139 V173 L190 L206L123-L134 HydrophobicContact CD2-CD1 4.27Å; I126-L134 HydrophobicContact CG2-CD1 4.4Å; E127-L134 HydrophobicContact CG-CB 4.29Å; E127-L134 HydrophobicContact CG-CD1 4.12Å; E127-L134 HydrophobicContact CG-CG 3.79Å; E127-L134 PolarHBondContact OE1-N 2.91Å; I130-L134 HydrophobicContact CD1-CD2 4.03Å; L134-Y138 HydrophobicContact CB-CD1 4.35Å; L134-Y138 HydrophobicContact CD1-CD1 4.31Å; L134-Y138 HydrophobicContact CD1-CE1 4.21Å; L134-Y138 HydrophobicContact CD2-CD1 4.4Å; L134-Y138 HydrophobicContact CD2-CE1 4.3Å; L134-R139 HydrophobicContact CB-CG 3.65Å; L134-R139 HydrophobicContact CD1-CG 4.27Å; L134-V173 HydrophobicContact CD1-CG2 4.13Å; L134-L190 HydrophobicContact CD2-CD2 3.73Å; L134-L206 HydrophobicContact CD2-CD1 4.19Å; L134-L206 HydrophobicContact CD2-CD2 4.13Å
135P97.4Very high97.6Very high14 Ų1433.8 Ų33.89%0.09119%0.191CC..PPolyproline II helixtrans-54141.4171.5-2835.6000112.5D137 Y138 R139 L206P135-D137 VanDerWaalsContact C-N 3.3Å; P135-D137 WeakPolarHBondContact CB-OD1 3.41Å; P135-D137 PolarHBondContact O-N 3.39Å; P135-Y138 WeakPolarHBondContact O-CB 3.23Å; P135-Y138 PolarHBondContact O-N 3Å; P135-R139 PolarHBondContact O-N 2.91Å; P135-L206 HydrophobicContact CG-CD2 4.47Å
136D97.9Very high97.6Very high55 Ų5529.4 Ų29.429%0.29417%0.168SC..Hα-helixtrans-65.4-32.4-175.1-81.4-11.3000112.8R84 Y85 Y88 C140R84-D136 IonicContact CZ-OD1 3.35Å; R84-D136 IonicContact NE-OD1 3.9Å; R84-D136 PolarHBondContact NE-OD1 2.93Å; R84-D136 IonicContact NH2-OD1 3.99Å; R84-D136 PolarHBondContact NH2-OD1 3.44Å; Y85-D136 HydrophobicContact CD1-CB 4.12Å; Y85-D136 WeakPolarHBondContact CD1-O 3.33Å; Y85-D136 HydrophobicContact CE1-CB 4.31Å; Y85-D136 WeakPolarHBondContact CE1-O 3.39Å; Y88-D136 HydrophobicContact CD2-CB 4.16Å; Y88-D136 HydrophobicContact CE2-CB 3.68Å; D136-C140 WeakPolarHBondContact O-CB 3.17Å; D136-C140 PolarHBondContact O-N 2.73Å
137D98Very high97.6Very high9 Ų928.9 Ų28.95%0.04817%0.165CC..Hα-helixtrans-69.2-41.1174.362.4-25.3000112.1Y88 L92 P135 C140 S141 S240 F241 L242Y88-D137 HydrophobicContact CD1-CB 3.77Å; Y88-D137 HydrophobicContact CD2-CB 4.27Å; Y88-D137 HydrophobicContact CE1-CB 4.06Å; Y88-D137 HydrophobicContact CG-CB 3.87Å; L92-D137 VanDerWaalsContact CD1-O 3.26Å; L92-D137 WeakPolarHBondContact CD1-O 3.48Å; P135-D137 VanDerWaalsContact C-N 3.3Å; P135-D137 WeakPolarHBondContact CB-OD1 3.41Å; P135-D137 PolarHBondContact O-N 3.39Å; D137-C140 PolarHBondContact O-N 2.97Å; D137-S141 PolarHBondContact O-N 2.83Å; D137-S240 WeakPolarHBondContact OD2-CB 3.31Å; D137-F241 WeakPolarHBondContact OD2-CA 3.31Å; D137-F241 WeakPolarHBondContact OD2-CB 3.26Å; D137-F241 PolarHBondContact OD2-N 2.77Å; D137-L242 HydrophobicContact CB-CB 4.12Å; D137-L242 PolarHBondContact OD2-N 3.43Å
138Y98.2Very high97.4Very high0 Ų028.6 Ų28.60%016%0.163CC..Hα-helixtrans-58.1-54.4171-178.9-80.9000110.4L134 P135 C140 S141 Y142 V173 L192 F241L134-Y138 HydrophobicContact CB-CD1 4.35Å; L134-Y138 HydrophobicContact CD1-CD1 4.31Å; L134-Y138 HydrophobicContact CD1-CE1 4.21Å; L134-Y138 HydrophobicContact CD2-CD1 4.4Å; L134-Y138 HydrophobicContact CD2-CE1 4.3Å; P135-Y138 WeakPolarHBondContact O-CB 3.23Å; P135-Y138 PolarHBondContact O-N 3Å; Y138-C140 VanDerWaalsContact C-N 3.31Å; Y138-C140 PolarHBondContact O-N 3.45Å; Y138-S141 PolarHBondContact O-N 2.89Å; Y138-S141 VanDerWaalsContact O-N 3.15Å; Y138-Y142 AromaticContact CD1-CD2 3.93Å; Y138-Y142 HydrophobicContact CD1-CD2 3.93Å; Y138-Y142 HydrophobicContact CD1-CE2 4.27Å; Y138-Y142 HydrophobicContact CD1-CG 4.42Å; Y138-Y142 HydrophobicContact CD2-CD2 4.22Å; Y138-Y142 AromaticContact CD2-CE2 3.86Å; Y138-Y142 HydrophobicContact CD2-CE2 3.86Å; Y138-Y142 HydrophobicContact CE1-CD1 4.31Å; Y138-Y142 AromaticContact CE1-CD2 3.68Å; Y138-Y142 HydrophobicContact CE1-CD2 3.68Å; Y138-Y142 HydrophobicContact CE1-CE1 4.43Å; Y138-Y142 AromaticContact CE1-CE2 3.8Å; Y138-Y142 HydrophobicContact CE1-CE2 3.8Å; Y138-Y142 AromaticContact CE1-CG 3.95Å; Y138-Y142 HydrophobicContact CE1-CG 3.95Å; Y138-Y142 AromaticContact CE2-CD2 4Å; Y138-Y142 HydrophobicContact CE2-CD2 4Å; Y138-Y142 AromaticContact CE2-CE2 3.34Å; Y138-Y142 HydrophobicContact CE2-CE2 3.34Å; Y138-Y142 AromaticContact CE2-CZ 3.78Å; Y138-Y142 HydrophobicContact CG-CD2 4.18Å; Y138-Y142 HydrophobicContact CG-CE2 4.29Å; Y138-Y142 AromaticContact CZ-CD2 3.72Å; Y138-Y142 AromaticContact CZ-CE1 4Å; Y138-Y142 AromaticContact CZ-CE2 3.3Å; Y138-Y142 AromaticContact CZ-CZ 3.47Å; Y138-Y142 VanDerWaalsContact CZ-CZ 3.47Å; Y138-Y142 VanDerWaalsContact O-CD2 3.29Å; Y138-Y142 WeakPolarHBondContact O-CD2 3.43Å; Y138-Y142 PolarHBondContact O-N 2.78Å; Y138-Y142 PolarHBondContact OH-OH 3.29Å; Y138-V173 HydrophobicContact CE1-CG2 4.03Å; Y138-L192 HydrophobicContact CD2-CD1 4.44Å; Y138-L192 HydrophobicContact CE2-CD1 3.91Å; Y138-F241 AromaticContact CD2-CD2 3.53Å; Y138-F241 HydrophobicContact CD2-CD2 3.53Å; Y138-F241 AromaticContact CD2-CE2 3.98Å; Y138-F241 HydrophobicContact CD2-CE2 3.98Å; Y138-F241 HydrophobicContact CD2-CG 4.27Å; Y138-F241 HydrophobicContact CE2-CD2 4.22Å; Y138-F241 HydrophobicContact CE2-CE2 4.3Å; Y138-F241 HydrophobicContact CG-CD2 4.34Å
139R98.2Very high97.3Very high0 Ų029.7 Ų29.70%015%0.153CC..Hα-helixtrans-56-46.9177.8-71.3-178.668.3103.40.3111.7R84 Y85 E120 L123 D124 E127 L134 P135 S141 Y142 R143R84-R139 VanDerWaalsContact NH1-NE 3.11Å; Y85-R139 HydrophobicContact CE1-CB 3.63Å; Y85-R139 PolarHBondContact OH-NE 2.64Å; E120-R139 IonicContact OE2-CZ 2.73Å; E120-R139 IonicContact OE2-NE 2.65Å; E120-R139 IonicContact OE2-NH2 2.64Å; E120-R139 PolarHBondContact OE2-NH2 3.4Å; L123-R139 VanDerWaalsContact CB-CZ 3.49Å; L123-R139 HydrophobicContact CD1-CB 4.05Å; L123-R139 HydrophobicContact CD1-CG 4.25Å; D124-R139 IonicContact OD1-CZ 3.47Å; D124-R139 IonicContact OD1-NH1 3.53Å; D124-R139 PolarHBondContact OD1-NH1 3.39Å; D124-R139 VanDerWaalsContact OD1-NH1 3.09Å; D124-R139 IonicContact OD1-NH2 2.72Å; D124-R139 PolarHBondContact OD1-NH2 3.31Å; E127-R139 IonicContact OE1-CZ 2.71Å; E127-R139 IonicContact OE1-NH1 3.33Å; E127-R139 PolarHBondContact OE1-NH1 3.15Å; E127-R139 IonicContact OE2-NH1 3.49Å; E127-R139 PolarHBondContact OE2-NH1 2.95Å; L134-R139 HydrophobicContact CB-CG 3.65Å; L134-R139 HydrophobicContact CD1-CG 4.27Å; P135-R139 PolarHBondContact O-N 2.91Å; R139-S141 VanDerWaalsContact C-N 3.31Å; R139-S141 PolarHBondContact O-N 3.04Å; R139-Y142 PolarHBondContact O-N 3.42Å; R139-R143 WeakPolarHBondContact O-CG 3.44Å; R139-R143 PolarHBondContact O-N 3.27Å
140C98.5Very high97.2Very high1 Ų127.6 Ų27.61%0.00715%0.145CC..Hα-helixtrans-57.3-44.7178.9-175.40000112.1Y85 Y89 L92 D136 D137 Y138 R143 I144Y85-C140 VanDerWaalsContact CB-SG 3.53Å; Y85-C140 HydrophobicContact CD1-CB 3.68Å; Y85-C140 HydrophobicContact CD2-CB 4.28Å; Y85-C140 HydrophobicContact CE1-CB 4.39Å; Y85-C140 HydrophobicContact CG-CB 3.61Å; Y89-C140 WeakPolarHBondContact CA-SG 3.11Å; L92-C140 HydrophobicContact CD1-CB 3.71Å; D136-C140 WeakPolarHBondContact O-CB 3.17Å; D136-C140 PolarHBondContact O-N 2.73Å; D137-C140 PolarHBondContact O-N 2.97Å; Y138-C140 VanDerWaalsContact C-N 3.31Å; Y138-C140 PolarHBondContact O-N 3.45Å; C140-R143 PolarHBondContact O-N 3.45Å; C140-I144 WeakPolarHBondContact O-CG1 3.3Å; C140-I144 PolarHBondContact O-N 2.8Å
141S98.4Very high97Very high0 Ų030.3 Ų30.30%016%0.162CC..Hα-helixtrans-64.8-44.9178.6-173.90000111.3W96 D137 Y138 R139 R143 I144 H145 F241W96-S141 PolarHBondContact NE1-OG 2.67Å; D137-S141 PolarHBondContact O-N 2.83Å; Y138-S141 PolarHBondContact O-N 2.89Å; Y138-S141 VanDerWaalsContact O-N 3.15Å; R139-S141 VanDerWaalsContact C-N 3.31Å; R139-S141 PolarHBondContact O-N 3.04Å; S141-R143 VanDerWaalsContact C-N 3.28Å; S141-R143 PolarHBondContact O-N 2.96Å; S141-I144 WeakPolarHBondContact O-CA 3.09Å; S141-I144 WeakPolarHBondContact O-CB 3.07Å; S141-I144 PolarHBondContact O-N 3.35Å; S141-H145 PolarHBondContact O-N 3.04Å; S141-F241 WeakPolarHBondContact OG-CE1 3.25Å; S141-F241 WeakPolarHBondContact OG-CZ 3.42Å
142Y98.5Very high96.7Very high0 Ų031.3 Ų31.30%015%0.154CC..Hα-helixtrans-68.6-25.4-179-84.8-107.2000113.3G117 A118 Y138 R139 I144 H145 N146 L171 V173 F241G117-Y142 CarbonylContact C-O 3.32Å; G117-Y142 WeakPolarHBondContact CA-O 3.2Å; A118-Y142 PolarHBondContact N-O 2.72Å; Y138-Y142 AromaticContact CD1-CD2 3.93Å; Y138-Y142 HydrophobicContact CD1-CD2 3.93Å; Y138-Y142 HydrophobicContact CD1-CE2 4.27Å; Y138-Y142 HydrophobicContact CD1-CG 4.42Å; Y138-Y142 HydrophobicContact CD2-CD2 4.22Å; Y138-Y142 AromaticContact CD2-CE2 3.86Å; Y138-Y142 HydrophobicContact CD2-CE2 3.86Å; Y138-Y142 HydrophobicContact CE1-CD1 4.31Å; Y138-Y142 AromaticContact CE1-CD2 3.68Å; Y138-Y142 HydrophobicContact CE1-CD2 3.68Å; Y138-Y142 HydrophobicContact CE1-CE1 4.43Å; Y138-Y142 AromaticContact CE1-CE2 3.8Å; Y138-Y142 HydrophobicContact CE1-CE2 3.8Å; Y138-Y142 AromaticContact CE1-CG 3.95Å; Y138-Y142 HydrophobicContact CE1-CG 3.95Å; Y138-Y142 AromaticContact CE2-CD2 4Å; Y138-Y142 HydrophobicContact CE2-CD2 4Å; Y138-Y142 AromaticContact CE2-CE2 3.34Å; Y138-Y142 HydrophobicContact CE2-CE2 3.34Å; Y138-Y142 AromaticContact CE2-CZ 3.78Å; Y138-Y142 HydrophobicContact CG-CD2 4.18Å; Y138-Y142 HydrophobicContact CG-CE2 4.29Å; Y138-Y142 AromaticContact CZ-CD2 3.72Å; Y138-Y142 AromaticContact CZ-CE1 4Å; Y138-Y142 AromaticContact CZ-CE2 3.3Å; Y138-Y142 AromaticContact CZ-CZ 3.47Å; Y138-Y142 VanDerWaalsContact CZ-CZ 3.47Å; Y138-Y142 VanDerWaalsContact O-CD2 3.29Å; Y138-Y142 WeakPolarHBondContact O-CD2 3.43Å; Y138-Y142 PolarHBondContact O-N 2.78Å; Y138-Y142 PolarHBondContact OH-OH 3.29Å; R139-Y142 PolarHBondContact O-N 3.42Å; Y142-I144 PolarHBondContact O-N 3.08Å; Y142-H145 WeakPolarHBondContact CA-O 3.26Å; Y142-H145 CarbonylContact O-C 3.59Å; Y142-N146 HydrophobicContact CD1-CB 4.49Å; Y142-N146 VanDerWaalsContact CD1-OD1 3.24Å; Y142-N146 WeakPolarHBondContact CD1-OD1 3.39Å; Y142-N146 PolarHBondContact O-N 2.67Å; Y142-L171 VanDerWaalsContact CE1-O 3.24Å; Y142-L171 WeakPolarHBondContact CE1-O 3.49Å; Y142-L171 PolarHBondContact OH-O 3.28Å; Y142-V173 HydrophobicContact CD1-CB 3.84Å; Y142-V173 HydrophobicContact CE1-CB 4.1Å; Y142-F241 HydrophobicContact CD2-CE2 4.44Å; Y142-F241 AromaticContact CE2-CE2 3.72Å; Y142-F241 HydrophobicContact CE2-CE2 3.72Å; Y142-F241 HydrophobicContact CE2-CZ 4.04Å
143R98.1Very high96.6Very high47 Ų4731.8 Ų31.818%0.17716%0.157CC..Hα-helixtrans-67.9-21.6166.8-75.1-167.463.7-177.4-7.2114.2D81 L82 Y85 G117 A118 E120 L123 R139 C140 S141D81-R143 PolarHBondContact O-NH1 2.89Å; D81-R143 IonicContact OD1-CZ 2.75Å; D81-R143 IonicContact OD1-NH1 2.74Å; D81-R143 PolarHBondContact OD1-NH1 3.09Å; D81-R143 IonicContact OD1-NH2 3.39Å; D81-R143 PolarHBondContact OD1-NH2 3.02Å; D81-R143 IonicContact OD2-NH2 3.49Å; D81-R143 PolarHBondContact OD2-NH2 2.83Å; L82-R143 VanDerWaalsContact CD2-CZ 3.42Å; Y85-R143 VanDerWaalsContact CE2-CD 3.46Å; G117-R143 WeakPolarHBondContact CA-O 3.45Å; A118-R143 WeakPolarHBondContact O-CA 3.27Å; A118-R143 WeakPolarHBondContact O-CG 3.32Å; E120-R143 WeakPolarHBondContact OE1-CD 3.44Å; E120-R143 IonicContact OE1-CZ 2.76Å; E120-R143 IonicContact OE1-NE 3.67Å; E120-R143 IonicContact OE1-NH1 3.57Å; E120-R143 PolarHBondContact OE1-NH1 2.9Å; L123-R143 HydrophobicContact CD1-CG 3.75Å; R139-R143 WeakPolarHBondContact O-CG 3.44Å; R139-R143 PolarHBondContact O-N 3.27Å; C140-R143 PolarHBondContact O-N 3.45Å; S141-R143 VanDerWaalsContact C-N 3.28Å; S141-R143 PolarHBondContact O-N 2.96Å
144I97.9Very high96.5Very high19 Ų1925.5 Ų25.510%0.09713%0.13CC..Hα-helixtrans-86.8-49.4174.9-59.1162.1000109.1Y89 L92 K93 W96 C140 S141 Y142Y89-I144 HydrophobicContact CE2-CD1 4.49Å; Y89-I144 HydrophobicContact CE2-CG1 4.38Å; L92-I144 HydrophobicContact CB-CD1 3.92Å; K93-I144 HydrophobicContact CB-CD1 4.04Å; K93-I144 HydrophobicContact CD-CD1 4.4Å; K93-I144 HydrophobicContact CD-CG2 4.09Å; W96-I144 HydrophobicContact CB-CG2 4Å; W96-I144 HydrophobicContact CG-CG2 3.91Å; C140-I144 WeakPolarHBondContact O-CG1 3.3Å; C140-I144 PolarHBondContact O-N 2.8Å; S141-I144 WeakPolarHBondContact O-CA 3.09Å; S141-I144 WeakPolarHBondContact O-CB 3.07Å; S141-I144 PolarHBondContact O-N 3.35Å; Y142-I144 PolarHBondContact O-N 3.08Å
145H98.1Very high96.4Very high22 Ų2225.3 Ų25.310%0.10213%0.129CC..  trans-147121.4174.8-76.2-65.8000111W96 K100 K115 S141 Y142 G147W96-H145 HydrophobicContact CD2-CB 4.25Å; W96-H145 AromaticContact CD2-CD2 3.74Å; W96-H145 HydrophobicContact CE3-CB 4.27Å; W96-H145 AromaticContact CE3-CD2 3.66Å; W96-H145 HydrophobicContact CH2-CB 3.95Å; W96-H145 HydrophobicContact CZ2-CB 3.91Å; W96-H145 HydrophobicContact CZ3-CB 4.12Å; K100-H145 WeakPolarHBondContact CD-NE2 3.5Å; K100-H145 PolarHBondContact NZ-NE2 3.01Å; K100-H145 VanDerWaalsContact NZ-NE2 3.18Å; K115-H145 PolarHBondContact O-ND1 3.23Å; K115-H145 VanDerWaalsContact O-ND1 3.11Å; S141-H145 PolarHBondContact O-N 3.04Å; Y142-H145 WeakPolarHBondContact CA-O 3.26Å; Y142-H145 CarbonylContact O-C 3.59Å; H145-G147 PolarHBondContact O-N 2.89Å
146N98.1Very high96.4Very high19 Ų1924.7 Ų24.710%0.10213%0.125CC..  trans-80.759-179-174.411.3000112.2K115 D116 A118 Y142 D172 V173K115-N146 HydrophobicContact CB-CB 4.22Å; K115-N146 WeakPolarHBondContact CB-O 3.39Å; K115-N146 WeakPolarHBondContact CD-O 3.37Å; K115-N146 PolarHBondContact O-N 2.78Å; D116-N146 WeakPolarHBondContact O-CB 3.5Å; D116-N146 PolarHBondContact O-N 3.28Å; D116-N146 VanDerWaalsContact O-N 3.11Å; A118-N146 HydrophobicContact CB-CB 4.2Å; Y142-N146 HydrophobicContact CD1-CB 4.49Å; Y142-N146 VanDerWaalsContact CD1-OD1 3.24Å; Y142-N146 WeakPolarHBondContact CD1-OD1 3.39Å; Y142-N146 PolarHBondContact O-N 2.67Å; N146-D172 WeakPolarHBondContact O-CA 3.4Å; N146-D172 WeakPolarHBondContact O-CB 3.04Å; N146-V173 WeakPolarHBondContact OD1-CG1 3.39Å; N146-V173 PolarHBondContact OD1-N 3.29Å
147G96.9Very high96.1Very high0 Ų022.2 Ų22.20%011%0.112CC..  trans66-153.3-178.900000113.9K115 H145K115-G147 PolarHBondContact N-O 3.48Å; H145-G147 PolarHBondContact O-N 2.89Å
148Q95.8Very high95.9Very high0 Ų022 Ų220%011%0.111CC..BIsolated β-bridgetrans-124.6146.3-174.7-168.5-166.6900109.9S113 P153 V169 L170S113-Q148 WeakPolarHBondContact OG-CG 3.48Å; S113-Q148 PolarHBondContact OG-NE2 3.29Å; Q148-P153 PolarHBondContact NE2-O 2.67Å; Q148-P153 VanDerWaalsContact NE2-O 3.15Å; Q148-V169 HydrophobicContact CB-CG1 3.93Å; Q148-V169 HydrophobicContact CG-CG1 4.36Å; Q148-L170 PolarHBondContact N-O 3.23Å
149K95.9Very high95.5Very high106 Ų10622.4 Ų22.446%0.46111%0.113SC..  trans-54.9143.9164.1-65.7171.9-172.7162.50109S113 K115 V151S113-K149 WeakPolarHBondContact O-CG 3.29Å; S113-K149 PolarHBondContact O-N 2.87Å; K115-K149 HydrophobicContact CG-CG 4.14Å; K149-V151 HydrophobicContact CB-CG1 4.32Å; K149-V151 PolarHBondContact O-N 2.8Å
150L93.1Very high94.9Very high81 Ų8125 Ų2542%0.42413%0.131SC..SBendtrans-67.673.4178.3-74.3-174.9000112V169 L171 T175 F196L150-V169 HydrophobicContact CD2-CG1 4.05Å; L150-L171 HydrophobicContact CD2-CD2 3.77Å; L150-T175 HydrophobicContact CD1-CG2 4.38Å; L150-F196 HydrophobicContact CB-CE1 4.49Å; L150-F196 HydrophobicContact CB-CZ 3.79Å; L150-F196 HydrophobicContact CD2-CZ 4.01Å; L150-F196 HydrophobicContact CG-CZ 4.4Å
151V92.3Very high94.2Very high65 Ų6525.9 Ų25.939%0.39414%0.136SC..  trans-137.1163-177.5-590000111.7K149 V169K149-V151 HydrophobicContact CB-CG1 4.32Å; K149-V151 PolarHBondContact O-N 2.8Å; V151-V169 VanDerWaalsContact O-CG2 3.27Å; V151-V169 WeakPolarHBondContact O-CG2 3.23Å
152I89.9Confident93.3Very high75 Ų7530.3 Ų30.339%0.38517%0.167SC..SBendtrans-112.3138.5176.6-63.1162.7000108.8Y165 F196 H197I152-Y165 HydrophobicContact CG2-CE1 4.46Å; I152-F196 HydrophobicContact CD1-CD2 4.01Å; I152-F196 HydrophobicContact CG1-CD2 3.9Å; I152-F196 HydrophobicContact CG1-CE2 4.27Å; I152-H197 VanDerWaalsContact CD1-CE1 3.46Å; I152-H197 WeakPolarHBondContact CD1-CE1 3.37Å
153P92.8Very high92.3Very high19 Ų1938.1 Ų38.112%0.12321%0.209CC..SBendcis-76.2144.11.834.2-37.5000112.9M110 Q148 Q263M110-P153 HydrophobicContact CE-CB 3.69Å; M110-P153 HydrophobicContact CE-CG 3.58Å; M110-P153 HydrophobicContact CG-CG 4.17Å; Q148-P153 PolarHBondContact NE2-O 2.67Å; Q148-P153 VanDerWaalsContact NE2-O 3.15Å; P153-Q263 HydrophobicContact CB-CB 4.34Å; P153-Q263 HydrophobicContact CB-CG 3.66Å; P153-Q263 HydrophobicContact CG-CG 4Å
154G94.8Very high91.7Very high0 Ų037.8 Ų37.80%021%0.209CC..  trans-77.3150178.100000112.8M156 G157 S167 E168G154-M156 VanDerWaalsContact C-N 3.26Å; G154-M156 PolarHBondContact O-N 2.91Å; G154-G157 PolarHBondContact O-N 2.62Å; G154-S167 PolarHBondContact N-OG 3.44Å; G154-E168 CarbonylContact C-O 3.52Å; G154-E168 WeakPolarHBondContact CA-O 3.36Å
155L96.3Very high91.3Very high0 Ų040 Ų400%022%0.217CC..THydrogen-bonded Turntrans-67.4-26.7-176.2-17369.1000112.4W96 L99 L103 L114 G157 E168 L170 Y248W96-L155 HydrophobicContact CH2-CD2 3.91Å; W96-L155 HydrophobicContact CZ3-CD2 3.97Å; L99-L155 HydrophobicContact CD2-CD1 4.14Å; L99-L155 HydrophobicContact CD2-CD2 4.48Å; L103-L155 HydrophobicContact CD1-CD1 3.78Å; L114-L155 HydrophobicContact CD2-CD1 4.13Å; L114-L155 HydrophobicContact CD2-CD2 3.64Å; L114-L155 HydrophobicContact CD2-CG 4.44Å; L155-G157 PolarHBondContact O-N 3.17Å; L155-E168 PolarHBondContact N-O 3.45Å; L155-L170 HydrophobicContact CD2-CB 4.33Å; L155-L170 HydrophobicContact CD2-CD2 4.17Å; L155-Y248 VanDerWaalsContact O-CZ 3.29Å; L155-Y248 PolarHBondContact O-OH 2.9Å
156M95.8Very high90.9Very high1 Ų139.8 Ų39.81%0.00522%0.215CC..THydrogen-bonded Turntrans-9117.2-175.5-62.4-66.6110.500112.7G154 E168 L170 T193 W244 F245 Y248 R266G154-M156 VanDerWaalsContact C-N 3.26Å; G154-M156 PolarHBondContact O-N 2.91Å; M156-E168 WeakPolarHBondContact CA-O 3.15Å; M156-E168 HydrophobicContact CB-CB 3.67Å; M156-E168 WeakPolarHBondContact CB-O 3.34Å; M156-E168 PolarHBondContact N-O 2.89Å; M156-L170 HydrophobicContact CE-CB 4.03Å; M156-L170 HydrophobicContact CE-CD2 4.22Å; M156-L170 HydrophobicContact CG-CB 3.86Å; M156-L170 HydrophobicContact SD-CB 4.4Å; M156-L170 HydrophobicContact SD-CD1 4.46Å; M156-T193 HydrophobicContact CB-CG2 4.23Å; M156-T193 HydrophobicContact CG-CG2 3.71Å; M156-T193 HydrophobicContact SD-CG2 4.46Å; M156-W244 HydrophobicContact CG-CH2 4.49Å; M156-W244 HydrophobicContact SD-CH2 3.41Å; M156-W244 WeakPolarHBondContact SD-CH2 3.25Å; M156-W244 HydrophobicContact SD-CZ2 3.64Å; M156-W244 HydrophobicContact SD-CZ3 4.43Å; M156-F245 HydrophobicContact CE-CD2 4.48Å; M156-F245 HydrophobicContact CE-CE2 4.09Å; M156-Y248 HydrophobicContact CE-CD1 4.07Å; M156-Y248 HydrophobicContact CE-CE1 3.76Å; M156-Y248 HydrophobicContact SD-CD1 4.46Å; M156-Y248 HydrophobicContact SD-CE1 4.39Å; M156-R266 VanDerWaalsContact O-CD 3.23Å; M156-R266 WeakPolarHBondContact O-CD 3.28Å
157G92.9Very high90.6Very high3 Ų338.9 Ų38.93%0.03121%0.21CC..  trans92.6163.717000000114.3G154 L155 S167 E168 I264G154-G157 PolarHBondContact O-N 2.62Å; L155-G157 PolarHBondContact O-N 3.17Å; G157-S167 WeakPolarHBondContact O-CA 3.36Å; G157-E168 PolarHBondContact O-N 2.81Å; G157-I264 CarbonylContact C-O 3.6Å; G157-I264 WeakPolarHBondContact CA-O 3.38Å
158S92.9Very high90.6Very high4 Ų439 Ų393%0.02821%0.211CC..EExtended strand (participates in β ladder)trans-124.7164.9-177.7-630000110.5R166 S167 Q263 I264 F265S158-R166 CarbonylContact C-O 3.58Å; S158-R166 WeakPolarHBondContact CA-O 3.43Å; S158-R166 WeakPolarHBondContact CB-O 3.41Å; S158-S167 WeakPolarHBondContact OG-CB 3.4Å; S158-S167 PolarHBondContact OG-OG 2.85Å; S158-Q263 PolarHBondContact OG-OE1 3.16Å; S158-I264 PolarHBondContact N-O 3.47Å; S158-F265 WeakPolarHBondContact O-CA 3.26Å
159M89.6Confident90.6Very high8 Ų839 Ų394%0.03921%0.211CC..EExtended strand (participates in β ladder)trans-151.1147167.1174.7-174.150.600108.7Y165 R166 L289 E291 T303M159-Y165 WeakPolarHBondContact O-CA 3Å; M159-Y165 VanDerWaalsContact O-CD2 3.22Å; M159-Y165 WeakPolarHBondContact O-CD2 3.43Å; M159-R166 HydrophobicContact CB-CG 3.98Å; M159-R166 HydrophobicContact CE-CG 3.72Å; M159-R166 PolarHBondContact N-O 3.38Å; M159-R166 PolarHBondContact O-N 3.05Å; M159-L289 HydrophobicContact CE-CD1 4.03Å; M159-L289 HydrophobicContact CE-CD2 3.28Å; M159-L289 HydrophobicContact CE-CG 3.4Å; M159-L289 HydrophobicContact SD-CD1 3.43Å; M159-L289 WeakPolarHBondContact SD-CD1 3.15Å; M159-L289 HydrophobicContact SD-CD2 3.52Å; M159-L289 VanDerWaalsContact SD-CD2 3.52Å; M159-L289 HydrophobicContact SD-CG 3.53Å; M159-L289 VanDerWaalsContact SD-CG 3.53Å; M159-E291 WeakPolarHBondContact CE-OE1 3.3Å; M159-T303 HydrophobicContact SD-CG2 3.97Å
160S86.4Confident90.7Very high55 Ų5534 Ų3439%0.38519%0.189SC..EExtended strand (participates in β ladder)trans-140.1127.8177.4-1680000109.4H164S160-H164 CarbonylContact C-O 3.51Å; S160-H164 WeakPolarHBondContact CA-O 3.34Å
161L84.4Confident91Very high20 Ų2030.5 Ų30.511%0.10517%0.171CC..EExtended strand (participates in β ladder)trans-147.4116.4173.4-176.777.1000109.6N163 H164 T303 A360 C362L161-N163 PolarHBondContact O-N 2.95Å; L161-H164 PolarHBondContact N-O 3.48Å; L161-H164 PolarHBondContact O-N 2.83Å; L161-T303 HydrophobicContact CD2-CG2 3.99Å; L161-A360 HydrophobicContact CD1-CB 4.19Å; L161-C362 HydrophobicContact CD2-CB 3.51Å
162S78.6Confident91.2Very high93 Ų9327.8 Ų27.865%0.6515%0.154SC*.THydrogen-bonded Turntrans45.5-100.7-179.2-690000113.6
163N78.6Confident91.6Very high163 Ų16324.4 Ų24.487%0.87214%0.137SC*.THydrogen-bonded Turntrans-100.54.2-178.264.4-21.4000113.7L161L161-N163 PolarHBondContact O-N 2.95Å
164H84.6Confident91.8Very high40 Ų4029.8 Ų29.819%0.18516%0.16CC..EExtended strand (participates in β ladder)trans-112.6116.6-179.5-168.285.4000110S160 L161 E291S160-H164 CarbonylContact C-O 3.51Å; S160-H164 WeakPolarHBondContact CA-O 3.34Å; L161-H164 PolarHBondContact N-O 3.48Å; L161-H164 PolarHBondContact O-N 2.83Å; H164-E291 IonicContact NE2-OE1 3Å
165Y88.9Confident92Very high66 Ų6632.4 Ų32.426%0.25918%0.176SC..EExtended strand (participates in β ladder)trans-126.5137.5171.5174.9-108.6000109.1I152 M159 H197 Q263I152-Y165 HydrophobicContact CG2-CE1 4.46Å; M159-Y165 WeakPolarHBondContact O-CA 3Å; M159-Y165 VanDerWaalsContact O-CD2 3.22Å; M159-Y165 WeakPolarHBondContact O-CD2 3.43Å; Y165-H197 AromaticContact CD1-CD2 3.75Å; Y165-H197 AromaticContact CD1-CE1 3.51Å; Y165-H197 AromaticContact CD1-NE2 3.31Å; Y165-H197 VanDerWaalsContact CD1-NE2 3.31Å; Y165-H197 WeakPolarHBondContact CD1-NE2 3.48Å; Y165-H197 AromaticContact CE1-CE1 3.31Å; Y165-H197 WeakPolarHBondContact CE1-CE1 3.2Å; Y165-H197 AromaticContact CE1-NE2 3.41Å; Y165-H197 WeakPolarHBondContact CE1-NE2 3.38Å; Y165-H197 WeakPolarHBondContact O-CB 3.36Å; Y165-H197 VanDerWaalsContact O-CG 3.31Å; Y165-Q263 PolarHBondContact OH-OE1 3.09Å
166R89.9Confident92Very high17 Ų1732.4 Ų32.46%0.06418%0.176CC..EExtended strand (participates in β ladder)trans-139.1154.517161.6179.1-90.9-140.111.8111.6S158 M159 E168 C195 T198 Y219 E291S158-R166 CarbonylContact C-O 3.58Å; S158-R166 WeakPolarHBondContact CA-O 3.43Å; S158-R166 WeakPolarHBondContact CB-O 3.41Å; M159-R166 HydrophobicContact CB-CG 3.98Å; M159-R166 HydrophobicContact CE-CG 3.72Å; M159-R166 PolarHBondContact N-O 3.38Å; M159-R166 PolarHBondContact O-N 3.05Å; R166-E168 IonicContact CZ-OE1 2.81Å; R166-E168 IonicContact NH2-OE1 3.62Å; R166-E168 PolarHBondContact NH2-OE1 2.61Å; R166-E168 IonicContact NH2-OE2 3.28Å; R166-C195 VanDerWaalsContact CB-SG 3.51Å; R166-T198 HydrophobicContact CB-CG2 4.4Å; R166-Y219 PolarHBondContact NH2-OH 2.95Å; R166-E291 WeakPolarHBondContact CD-OE1 3.39Å; R166-E291 IonicContact CZ-OE1 2.68Å; R166-E291 IonicContact CZ-OE2 2.75Å; R166-E291 VanDerWaalsContact CZ-OE2 3.3Å; R166-E291 IonicContact NE-OE1 2.79Å; R166-E291 IonicContact NH1-OE1 2.9Å; R166-E291 PolarHBondContact NH1-OE1 3.4Å; R166-E291 IonicContact NH1-OE2 2.79Å; R166-E291 PolarHBondContact NH1-OE2 2.87Å; R166-E291 IonicContact NH2-OE2 3.21Å
167S93.2Very high92.1Very high0 Ų032.7 Ų32.70%018%0.179CC..EExtended strand (participates in β ladder)trans-151.5121.4175.9-161.70000107.8G154 G157 S158G154-S167 PolarHBondContact N-OG 3.44Å; G157-S167 WeakPolarHBondContact O-CA 3.36Å; S158-S167 WeakPolarHBondContact OG-CB 3.4Å; S158-S167 PolarHBondContact OG-OG 2.85Å
168E95.3Very high92.3Very high3 Ų335.7 Ų35.71%0.01421%0.21CC..EExtended strand (participates in β ladder)trans-101.3129.3-172.5-66.1-162.8144.500112G154 L155 M156 G157 R166 C195 Y219 R266G154-E168 CarbonylContact C-O 3.52Å; G154-E168 WeakPolarHBondContact CA-O 3.36Å; L155-E168 PolarHBondContact N-O 3.45Å; M156-E168 WeakPolarHBondContact CA-O 3.15Å; M156-E168 HydrophobicContact CB-CB 3.67Å; M156-E168 WeakPolarHBondContact CB-O 3.34Å; M156-E168 PolarHBondContact N-O 2.89Å; G157-E168 PolarHBondContact O-N 2.81Å; R166-E168 IonicContact CZ-OE1 2.81Å; R166-E168 IonicContact NH2-OE1 3.62Å; R166-E168 PolarHBondContact NH2-OE1 2.61Å; R166-E168 IonicContact NH2-OE2 3.28Å; E168-C195 HydrophobicContact CG-CB 4.21Å; E168-Y219 WeakPolarHBondContact OE1-CE1 3.43Å; E168-Y219 PolarHBondContact OE1-OH 3.02Å; E168-Y219 PolarHBondContact OE2-OH 2.73Å; E168-R266 IonicContact OE2-NH1 3.08Å; E168-R266 PolarHBondContact OE2-NH1 3.22Å
169V97.2Very high92.4Very high0 Ų036.7 Ų36.70%022%0.221CC..EExtended strand (participates in β ladder)trans-99.8136.6177.8178.10000109.4Q148 L150 V151 L171 T193 F194 F196Q148-V169 HydrophobicContact CB-CG1 3.93Å; Q148-V169 HydrophobicContact CG-CG1 4.36Å; L150-V169 HydrophobicContact CD2-CG1 4.05Å; V151-V169 VanDerWaalsContact O-CG2 3.27Å; V151-V169 WeakPolarHBondContact O-CG2 3.23Å; V169-L171 PolarHBondContact O-N 2.94Å; V169-T193 CarbonylContact O-C 3.58Å; V169-T193 WeakPolarHBondContact O-CA 3.27Å; V169-T193 WeakPolarHBondContact O-CB 2.98Å; V169-F194 PolarHBondContact N-O 3.25Å; V169-F194 PolarHBondContact O-N 2.86Å; V169-F196 HydrophobicContact CG2-CD2 4.41Å; V169-F196 HydrophobicContact CG2-CE2 3.69Å
170L98Very high92.8Very high0 Ų037.2 Ų37.20%022%0.223CC..EExtended strand (participates in β ladder)trans-75.2117.1167.2179.265.2000108.5W96 Q148 L155 M156 L192 W244W96-L170 HydrophobicContact CH2-CD2 3.86Å; W96-L170 HydrophobicContact CZ2-CD2 4.13Å; Q148-L170 PolarHBondContact N-O 3.23Å; L155-L170 HydrophobicContact CD2-CB 4.33Å; L155-L170 HydrophobicContact CD2-CD2 4.17Å; M156-L170 HydrophobicContact CE-CB 4.03Å; M156-L170 HydrophobicContact CE-CD2 4.22Å; M156-L170 HydrophobicContact CG-CB 3.86Å; M156-L170 HydrophobicContact SD-CB 4.4Å; M156-L170 HydrophobicContact SD-CD1 4.46Å; L170-L192 HydrophobicContact CD1-CD1 4.03Å; L170-W244 HydrophobicContact CD1-CH2 3.94Å; L170-W244 HydrophobicContact CD1-CZ3 4.28Å
171L98.2Very high93.2Very high8 Ų836.2 Ų36.24%0.04221%0.212CC..PPolyproline II helixtrans-69.6144.8-175.7-67.4178.7000111.3Y142 L150 V169 T175 A176 P191 L192 F194Y142-L171 VanDerWaalsContact CE1-O 3.24Å; Y142-L171 WeakPolarHBondContact CE1-O 3.49Å; Y142-L171 PolarHBondContact OH-O 3.28Å; L150-L171 HydrophobicContact CD2-CD2 3.77Å; V169-L171 PolarHBondContact O-N 2.94Å; L171-T175 HydrophobicContact CD2-CG2 3.98Å; L171-A176 HydrophobicContact CB-CB 4.32Å; L171-P191 HydrophobicContact CD1-CB 3.88Å; L171-P191 HydrophobicContact CD1-CG 4.28Å; L171-L192 PolarHBondContact N-O 2.83Å; L171-F194 HydrophobicContact CD1-CB 4.2Å; L171-F194 HydrophobicContact CD2-CB 3.64Å; L171-F194 HydrophobicContact CG-CB 4.08Å
172D98Very high93.6Very high9 Ų941.3 Ų41.35%0.04824%0.235CC..PPolyproline II helixtrans-72.5156.9162.26768.2000111.2K115 N146 E174 T175 A176K115-D172 HydrophobicContact CD-CB 3.68Å; K115-D172 IonicContact NZ-OD1 3.05Å; K115-D172 IonicContact NZ-OD2 2.69Å; K115-D172 PolarHBondContact NZ-OD2 3.41Å; N146-D172 WeakPolarHBondContact O-CA 3.4Å; N146-D172 WeakPolarHBondContact O-CB 3.04Å; D172-E174 VanDerWaalsContact C-N 3.29Å; D172-E174 PolarHBondContact O-N 2.86Å; D172-E174 PolarHBondContact OD1-N 3.02Å; D172-T175 VanDerWaalsContact CG-OG1 3.24Å; D172-T175 PolarHBondContact O-N 3.18Å; D172-T175 WeakPolarHBondContact OD1-CB 3.22Å; D172-T175 PolarHBondContact OD1-N 3.32Å; D172-T175 PolarHBondContact OD1-OG1 3.41Å; D172-T175 PolarHBondContact OD2-OG1 3.4Å; D172-A176 WeakPolarHBondContact O-CB 3.38Å; D172-A176 PolarHBondContact O-N 2.86Å
173V97.6Very high94.3Very high3 Ų343.5 Ų43.52%0.01823%0.229CC..Hα-helixtrans-65.2-31-169.870.40000113.4L123 I126 L134 Y138 Y142 N146 A177L123-V173 HydrophobicContact CD2-CB 4.42Å; L123-V173 HydrophobicContact CD2-CG1 4.17Å; L123-V173 HydrophobicContact CD2-CG2 4.02Å; I126-V173 HydrophobicContact CB-CG2 4.41Å; I126-V173 HydrophobicContact CG1-CG1 4.22Å; I126-V173 HydrophobicContact CG1-CG2 4.19Å; I126-V173 HydrophobicContact CG2-CG2 4.03Å; L134-V173 HydrophobicContact CD1-CG2 4.13Å; Y138-V173 HydrophobicContact CE1-CG2 4.03Å; Y142-V173 HydrophobicContact CD1-CB 3.84Å; Y142-V173 HydrophobicContact CE1-CB 4.1Å; N146-V173 WeakPolarHBondContact OD1-CG1 3.39Å; N146-V173 PolarHBondContact OD1-N 3.29Å; V173-A177 WeakPolarHBondContact O-CB 3.45Å; V173-A177 PolarHBondContact O-N 3.34Å
174E97.7Very high95Very high133 Ų13341.6 Ų41.662%0.62121%0.213SC*.Hα-helixtrans-71.1-47.8178.5-177.1-177.9-173.900110.6I126 D172 A176 A177 G178I126-E174 HydrophobicContact CD1-CB 4.43Å; D172-E174 VanDerWaalsContact C-N 3.29Å; D172-E174 PolarHBondContact O-N 2.86Å; D172-E174 PolarHBondContact OD1-N 3.02Å; E174-A176 VanDerWaalsContact C-N 3.28Å; E174-A176 PolarHBondContact O-N 2.74Å; E174-A177 PolarHBondContact O-N 3.35Å; E174-G178 PolarHBondContact O-N 3.34Å; E174-G178 VanDerWaalsContact O-N 3.14Å
175T97.3Very high95.3Very high55 Ų5540.1 Ų40.134%0.33721%0.208SC..Hα-helixtrans-60.6-41.4174.2-55.90000110.8L150 L171 D172 G178L150-T175 HydrophobicContact CD1-CG2 4.38Å; L171-T175 HydrophobicContact CD2-CG2 3.98Å; D172-T175 VanDerWaalsContact CG-OG1 3.24Å; D172-T175 PolarHBondContact O-N 3.18Å; D172-T175 WeakPolarHBondContact OD1-CB 3.22Å; D172-T175 PolarHBondContact OD1-N 3.32Å; D172-T175 PolarHBondContact OD1-OG1 3.41Å; D172-T175 PolarHBondContact OD2-OG1 3.4Å; T175-G178 PolarHBondContact O-N 3.37Å
176A97.6Very high95.6Very high0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-60.9-45.7176.700000111.9L171 D172 E174 G178 G179 F180 L190 P191L171-A176 HydrophobicContact CB-CB 4.32Å; D172-A176 WeakPolarHBondContact O-CB 3.38Å; D172-A176 PolarHBondContact O-N 2.86Å; E174-A176 VanDerWaalsContact C-N 3.28Å; E174-A176 PolarHBondContact O-N 2.74Å; A176-G178 VanDerWaalsContact C-N 3.29Å; A176-G178 PolarHBondContact O-N 3.24Å; A176-G179 CarbonylContact O-C 3.57Å; A176-G179 PolarHBondContact O-N 3.02Å; A176-F180 PolarHBondContact O-N 2.92Å; A176-L190 HydrophobicContact CB-CD1 4.26Å; A176-L190 HydrophobicContact CB-CD2 4.3Å; A176-L190 HydrophobicContact CB-CG 4.1Å; A176-L190 WeakPolarHBondContact O-CD1 3.27Å; A176-P191 WeakPolarHBondContact CB-O 3.26Å; A176-P191 VanDerWaalsContact O-CD 3.27Å; A176-P191 WeakPolarHBondContact O-CD 3.32Å; A176-P191 VanDerWaalsContact O-CG 3.24Å; A176-P191 WeakPolarHBondContact O-CG 3.42Å
177A97.4Very high95.8Very high6 Ų642.1 Ų42.15%0.0522%0.215CC..Hα-helixtrans-60.3-37.3178.300000112.8I126 I130 V173 E174 G179 F180I126-A177 HydrophobicContact CD1-CB 3.86Å; I126-A177 HydrophobicContact CG2-CB 3.7Å; I130-A177 HydrophobicContact CG2-CB 3.84Å; V173-A177 WeakPolarHBondContact O-CB 3.45Å; V173-A177 PolarHBondContact O-N 3.34Å; E174-A177 PolarHBondContact O-N 3.35Å; A177-G179 PolarHBondContact O-N 3.2Å; A177-F180 VanDerWaalsContact O-CB 3.26Å; A177-F180 WeakPolarHBondContact O-CB 3.23Å; A177-F180 PolarHBondContact O-N 3.45Å; A177-F180 VanDerWaalsContact O-N 3.13Å
178G96.4Very high95.8Very high67 Ų6746 Ų4669%0.69123%0.23SC*.Hα-helixtrans-61.4-24.5174.400000114.1E174 T175 A176E174-G178 PolarHBondContact O-N 3.34Å; E174-G178 VanDerWaalsContact O-N 3.14Å; T175-G178 PolarHBondContact O-N 3.37Å; A176-G178 VanDerWaalsContact C-N 3.29Å; A176-G178 PolarHBondContact O-N 3.24Å
179G95.4Very high95.9Very high25 Ų2545.9 Ų45.926%0.25823%0.229SC..THydrogen-bonded Turntrans-101.211.6176.400000114.7A176 A177 Q181 P191A176-G179 CarbonylContact O-C 3.57Å; A176-G179 PolarHBondContact O-N 3.02Å; A177-G179 PolarHBondContact O-N 3.2Å; G179-Q181 PolarHBondContact O-N 2.95Å; G179-Q181 PolarHBondContact O-NE2 3.4Å; G179-P191 WeakPolarHBondContact O-CD 3.39Å
180F97.3Very high95.9Very high18 Ų1845.9 Ų45.98%0.07923%0.229CC..  trans-59134.7-179.8-176.1-118.9000112.1I130 C132 A176 A177 H182 S189 L190 L206I130-F180 HydrophobicContact CB-CD1 3.71Å; I130-F180 HydrophobicContact CB-CE1 3.94Å; I130-F180 HydrophobicContact CB-CG 4Å; I130-F180 HydrophobicContact CB-CZ 4.45Å; I130-F180 HydrophobicContact CG2-CB 3.99Å; I130-F180 HydrophobicContact CG2-CD1 4.13Å; I130-F180 HydrophobicContact CG2-CG 4.02Å; I130-F180 VanDerWaalsContact O-CE1 3.32Å; I130-F180 WeakPolarHBondContact O-CE1 3.43Å; C132-F180 HydrophobicContact CB-CZ 4.1Å; A176-F180 PolarHBondContact O-N 2.92Å; A177-F180 VanDerWaalsContact O-CB 3.26Å; A177-F180 WeakPolarHBondContact O-CB 3.23Å; A177-F180 PolarHBondContact O-N 3.45Å; A177-F180 VanDerWaalsContact O-N 3.13Å; F180-H182 AromaticContact CD1-CE1 3.5Å; F180-H182 VanDerWaalsContact CD1-CE1 3.5Å; F180-H182 WeakPolarHBondContact CD1-CE1 3.48Å; F180-H182 AromaticContact CD1-NE2 3.41Å; F180-H182 WeakPolarHBondContact CD1-NE2 3.47Å; F180-H182 AromaticContact CE1-CE1 3.35Å; F180-H182 WeakPolarHBondContact CE1-CE1 3.37Å; F180-H182 AromaticContact CE1-ND1 3.94Å; F180-H182 AromaticContact CE1-NE2 3.79Å; F180-S189 WeakPolarHBondContact CD2-O 3.42Å; F180-L190 HydrophobicContact CB-CD1 4.08Å; F180-L190 HydrophobicContact CD2-CB 4.18Å; F180-L190 HydrophobicContact CD2-CD1 3.83Å; F180-L190 HydrophobicContact CG-CD1 4.36Å; F180-L206 HydrophobicContact CD2-CD1 4.19Å; F180-L206 HydrophobicContact CE2-CD1 3.5Å; F180-L206 VanDerWaalsContact CE2-CD1 3.5Å; F180-L206 HydrophobicContact CE2-CG 4.17Å; F180-L206 HydrophobicContact CZ-CD1 4.17Å
181Q96.1Very high95.9Very high35 Ų3546.1 Ų46.116%0.16423%0.231CC..BIsolated β-bridgetrans-100.6123.3-167.8-63-67.3-53.300112.6G179 R183 M186 R187 R188 S189 Y203G179-Q181 PolarHBondContact O-N 2.95Å; G179-Q181 PolarHBondContact O-NE2 3.4Å; Q181-R183 VanDerWaalsContact OE1-NE 3.15Å; Q181-M186 HydrophobicContact CB-CB 3.74Å; Q181-M186 WeakPolarHBondContact CB-O 3.45Å; Q181-M186 HydrophobicContact CG-CB 3.97Å; Q181-R187 CarbonylContact O-C 3.38Å; Q181-R188 PolarHBondContact O-N 2.9Å; Q181-S189 WeakPolarHBondContact CB-O 3.47Å; Q181-S189 PolarHBondContact N-O 3.42Å; Q181-Y203 HydrophobicContact CG-CD1 4.21Å; Q181-Y203 HydrophobicContact CG-CE1 3.62Å
182H93.1Very high95.9Very high127 Ų12745.8 Ų45.859%0.58823%0.229SC*.  trans-109.8-10173.1-62.9-76.4000113.8F180 R187F180-H182 AromaticContact CD1-CE1 3.5Å; F180-H182 VanDerWaalsContact CD1-CE1 3.5Å; F180-H182 WeakPolarHBondContact CD1-CE1 3.48Å; F180-H182 AromaticContact CD1-NE2 3.41Å; F180-H182 WeakPolarHBondContact CD1-NE2 3.47Å; F180-H182 AromaticContact CE1-CE1 3.35Å; F180-H182 WeakPolarHBondContact CE1-CE1 3.37Å; F180-H182 AromaticContact CE1-ND1 3.94Å; F180-H182 AromaticContact CE1-NE2 3.79Å; H182-R187 WeakPolarHBondContact O-CG 3.4Å
183R93.4Very high95.9Very high139 Ų13945.3 Ų45.353%0.52523%0.227SC..SBendtrans-72.7146.9-177.568.4-178.7-178.9132.42111.3Q181 M186 R187Q181-R183 VanDerWaalsContact OE1-NE 3.15Å; R183-M186 HydrophobicContact CG-CB 3.99Å; R183-M186 CarbonylContact O-C 3.48Å; R183-M186 PolarHBondContact O-N 2.89Å; R183-R187 VanDerWaalsContact O-CG 3.31Å; R183-R187 WeakPolarHBondContact O-CG 3.35Å; R183-R187 PolarHBondContact O-N 3.07Å
184K92.4Very high95.8Very high123 Ų12348 Ų4854%0.53524%0.238SC..THydrogen-bonded Turntrans-50.9139.6171.3-169.3-176.2170.7-155.70110.2M186 D228 S230K184-M186 PolarHBondContact O-N 3.34Å; K184-D228 IonicContact NZ-OD2 3.44Å; K184-D228 PolarHBondContact NZ-OD2 2.84Å; K184-S230 WeakPolarHBondContact CD-OG 3.38Å; K184-S230 VanDerWaalsContact CE-OG 3.32Å; K184-S230 WeakPolarHBondContact CE-OG 3.18Å; K184-S230 WeakPolarHBondContact CG-OG 3.07Å; K184-S230 PolarHBondContact NZ-OG 3.49Å; K184-S230 WeakPolarHBondContact O-CB 3.08Å
185G91.3Very high95.7Very high8 Ų841.6 Ų41.68%0.08221%0.209CC..THydrogen-bonded Turntrans86.9-28.8-173.600000113.9E210 R212 S230G185-E210 WeakPolarHBondContact CA-OE2 3.32Å; G185-E210 PolarHBondContact N-OE1 3.31Å; G185-E210 PolarHBondContact N-OE2 3.48Å; G185-R212 PolarHBondContact O-NH1 3.23Å; G185-S230 VanDerWaalsContact CA-O 3.26Å; G185-S230 WeakPolarHBondContact CA-O 3.28Å
186M94.3Very high95.1Very high0 Ų042.9 Ų42.90%021%0.209CC..SBendtrans-120.914.1179.2-66.8-61.2-69.900113.5Q181 R183 K184 R188 S189 Y203 E210 R212 F218 P220 I232Q181-M186 HydrophobicContact CB-CB 3.74Å; Q181-M186 WeakPolarHBondContact CB-O 3.45Å; Q181-M186 HydrophobicContact CG-CB 3.97Å; R183-M186 HydrophobicContact CG-CB 3.99Å; R183-M186 CarbonylContact O-C 3.48Å; R183-M186 PolarHBondContact O-N 2.89Å; K184-M186 PolarHBondContact O-N 3.34Å; M186-R188 PolarHBondContact O-N 3.48Å; M186-S189 VanDerWaalsContact O-CB 3.24Å; M186-S189 WeakPolarHBondContact O-CB 3.4Å; M186-S189 PolarHBondContact O-N 3.31Å; M186-S189 PolarHBondContact O-OG 3.46Å; M186-Y203 HydrophobicContact CE-CD1 3.79Å; M186-Y203 HydrophobicContact CE-CD2 3.53Å; M186-Y203 HydrophobicContact CE-CE1 3.93Å; M186-Y203 HydrophobicContact CE-CE2 3.65Å; M186-Y203 HydrophobicContact CE-CG 3.6Å; M186-E210 PolarHBondContact N-OE2 2.9Å; M186-R212 VanDerWaalsContact CA-NH1 3.32Å; M186-F218 HydrophobicContact CE-CE2 3.88Å; M186-F218 HydrophobicContact CE-CZ 3.97Å; M186-F218 HydrophobicContact SD-CE2 4.06Å; M186-F218 HydrophobicContact SD-CZ 4.39Å; M186-P220 HydrophobicContact CE-CB 4.02Å; M186-P220 HydrophobicContact CE-CG 4.19Å; M186-P220 HydrophobicContact SD-CB 3.82Å; M186-I232 HydrophobicContact CG-CD1 3.56Å; M186-I232 HydrophobicContact SD-CD1 3.95Å; M186-I232 HydrophobicContact SD-CG2 4.17Å
187R93.7Very high94.6Very high125 Ų12547 Ų4747%0.47223%0.228SC..THydrogen-bonded Turntrans-56.8141.7-172.7-74.6-173.5-72.5162.91.2111.7Q181 H182 R183 S189 E210 R212Q181-R187 CarbonylContact O-C 3.38Å; H182-R187 WeakPolarHBondContact O-CG 3.4Å; R183-R187 VanDerWaalsContact O-CG 3.31Å; R183-R187 WeakPolarHBondContact O-CG 3.35Å; R183-R187 PolarHBondContact O-N 3.07Å; R187-S189 PolarHBondContact O-N 2.53Å; R187-S189 VanDerWaalsContact O-N 3.16Å; R187-S189 PolarHBondContact O-OG 3.39Å; R187-E210 IonicContact CZ-OE1 3.91Å; R187-E210 PolarHBondContact N-OE2 3.46Å; R187-E210 IonicContact NE-OE1 3.77Å; R187-E210 PolarHBondContact NE-OE1 2.97Å; R187-E210 IonicContact NH2-OE1 2.88Å; R187-E210 PolarHBondContact NH2-OE1 3.1Å; R187-R212 PolarHBondContact O-NH2 2.76Å
188R95Very high94.2Very high82 Ų8248.7 Ų48.731%0.30924%0.239SC..THydrogen-bonded Turntrans59.225.5175.9-54.9-62.8-159.7-169.8-1.2113.7G131 Q181 M186 L206 E207G131-R188 PolarHBondContact O-NH1 3.44Å; Q181-R188 PolarHBondContact O-N 2.9Å; M186-R188 PolarHBondContact O-N 3.48Å; R188-L206 WeakPolarHBondContact O-CB 3.45Å; R188-L206 PolarHBondContact O-N 3.27Å; R188-E207 HydrophobicContact CB-CB 4.22Å; R188-E207 WeakPolarHBondContact CD-OE2 3.3Å; R188-E207 HydrophobicContact CG-CB 4.27Å; R188-E207 WeakPolarHBondContact CG-OE2 3.15Å; R188-E207 IonicContact CZ-OE2 2.8Å; R188-E207 IonicContact NE-OE2 2.66Å; R188-E207 PolarHBondContact NE-OE2 3.47Å; R188-E207 IonicContact NH2-OE2 3.09Å
189S96.8Very high93.9Very high0 Ų047.8 Ų47.80%023%0.229CC..EExtended strand (participates in β ladder)trans-103127.5178.2-58.40000110.5F180 Q181 M186 R187 V204 R212F180-S189 WeakPolarHBondContact CD2-O 3.42Å; Q181-S189 WeakPolarHBondContact CB-O 3.47Å; Q181-S189 PolarHBondContact N-O 3.42Å; M186-S189 VanDerWaalsContact O-CB 3.24Å; M186-S189 WeakPolarHBondContact O-CB 3.4Å; M186-S189 PolarHBondContact O-N 3.31Å; M186-S189 PolarHBondContact O-OG 3.46Å; R187-S189 PolarHBondContact O-N 2.53Å; R187-S189 VanDerWaalsContact O-N 3.16Å; R187-S189 PolarHBondContact O-OG 3.39Å; S189-V204 WeakPolarHBondContact CA-O 3.36Å; S189-R212 PolarHBondContact OG-NH1 3.18Å; S189-R212 VanDerWaalsContact OG-NH1 3.08Å
190L97.8Very high93.6Very high0 Ų049.7 Ų49.70%023%0.233CC..EExtended strand (participates in β ladder)trans-102.9128.4176.8-170.975.5000108.9L134 A176 F180 L192 Y203 V204 L206L134-L190 HydrophobicContact CD2-CD2 3.73Å; A176-L190 HydrophobicContact CB-CD1 4.26Å; A176-L190 HydrophobicContact CB-CD2 4.3Å; A176-L190 HydrophobicContact CB-CG 4.1Å; A176-L190 WeakPolarHBondContact O-CD1 3.27Å; F180-L190 HydrophobicContact CB-CD1 4.08Å; F180-L190 HydrophobicContact CD2-CB 4.18Å; F180-L190 HydrophobicContact CD2-CD1 3.83Å; F180-L190 HydrophobicContact CG-CD1 4.36Å; L190-L192 PolarHBondContact O-N 2.86Å; L190-Y203 CarbonylContact O-C 3.39Å; L190-Y203 VanDerWaalsContact O-CA 3.28Å; L190-Y203 WeakPolarHBondContact O-CA 3.43Å; L190-V204 HydrophobicContact CB-CG1 3.94Å; L190-V204 PolarHBondContact N-O 2.92Å; L190-V204 PolarHBondContact O-N 3.48Å; L190-L206 HydrophobicContact CB-CD1 4.14Å; L190-L206 HydrophobicContact CB-CD2 3.97Å; L190-L206 HydrophobicContact CB-CG 4.07Å; L190-L206 HydrophobicContact CD2-CD2 4.33Å
191P97.8Very high93.6Very high5 Ų549.5 Ų49.53%0.03223%0.234CC..EExtended strand (participates in β ladder)trans-65.3133175.326.6-32.5000109.9L171 A176 G179 Y203L171-P191 HydrophobicContact CD1-CB 3.88Å; L171-P191 HydrophobicContact CD1-CG 4.28Å; A176-P191 WeakPolarHBondContact CB-O 3.26Å; A176-P191 VanDerWaalsContact O-CD 3.27Å; A176-P191 WeakPolarHBondContact O-CD 3.32Å; A176-P191 VanDerWaalsContact O-CG 3.24Å; A176-P191 WeakPolarHBondContact O-CG 3.42Å; G179-P191 WeakPolarHBondContact O-CD 3.39Å; P191-Y203 HydrophobicContact CB-CD1 4.02Å; P191-Y203 HydrophobicContact CB-CE1 3.75Å; P191-Y203 HydrophobicContact CG-CE1 4.31Å
192L97.6Very high93.6Very high1 Ų147.8 Ų47.81%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-104.7-43.5-174.9176.660.7000111Y138 L170 L171 L190 Q202 F241 W244Y138-L192 HydrophobicContact CD2-CD1 4.44Å; Y138-L192 HydrophobicContact CE2-CD1 3.91Å; L170-L192 HydrophobicContact CD1-CD1 4.03Å; L171-L192 PolarHBondContact N-O 2.83Å; L190-L192 PolarHBondContact O-N 2.86Å; L192-Q202 PolarHBondContact N-O 2.94Å; L192-F241 HydrophobicContact CD1-CD2 3.9Å; L192-F241 HydrophobicContact CD1-CE2 3.66Å; L192-W244 HydrophobicContact CD1-CH2 4.22Å; L192-W244 HydrophobicContact CD1-CZ3 4.09Å; L192-W244 HydrophobicContact CD2-CD2 4.1Å; L192-W244 HydrophobicContact CD2-CE3 3.97Å; L192-W244 HydrophobicContact CD2-CH2 3.71Å; L192-W244 HydrophobicContact CD2-CZ2 3.86Å; L192-W244 HydrophobicContact CD2-CZ3 3.79Å; L192-W244 HydrophobicContact CG-CH2 3.9Å; L192-W244 HydrophobicContact CG-CZ2 4.36Å; L192-W244 HydrophobicContact CG-CZ3 4.17Å
193T97.7Very high93.8Very high0 Ų043 Ų430%020%0.203CC..EExtended strand (participates in β ladder)trans-129.5161.617873.80000110.4M156 V169 S201 Q202 W244M156-T193 HydrophobicContact CB-CG2 4.23Å; M156-T193 HydrophobicContact CG-CG2 3.71Å; M156-T193 HydrophobicContact SD-CG2 4.46Å; V169-T193 CarbonylContact O-C 3.58Å; V169-T193 WeakPolarHBondContact O-CA 3.27Å; V169-T193 WeakPolarHBondContact O-CB 2.98Å; T193-S201 WeakPolarHBondContact O-CA 3.41Å; T193-S201 WeakPolarHBondContact O-CB 3.43Å; T193-S201 PolarHBondContact O-OG 2.86Å; T193-Q202 HydrophobicContact CG2-CB 4.24Å; T193-Q202 PolarHBondContact N-O 3.29Å; T193-Q202 PolarHBondContact O-N 3.39Å; T193-Q202 WeakPolarHBondContact OG1-CB 3.45Å; T193-Q202 PolarHBondContact OG1-N 3.22Å; T193-W244 HydrophobicContact CG2-CH2 4.11Å; T193-W244 HydrophobicContact CG2-CZ2 4.01Å
194F96.4Very high94Very high58 Ų5836.5 Ų36.525%0.25418%0.178SC..EExtended strand (participates in β ladder)trans-140.1137.3174.2-178.1-109.6000111.9V169 L171 F196 S201V169-F194 PolarHBondContact N-O 3.25Å; V169-F194 PolarHBondContact O-N 2.86Å; L171-F194 HydrophobicContact CD1-CB 4.2Å; L171-F194 HydrophobicContact CD2-CB 3.64Å; L171-F194 HydrophobicContact CG-CB 4.08Å; F194-F196 HydrophobicContact CD1-CD1 4.17Å; F194-F196 HydrophobicContact CD1-CE1 4.2Å; F194-F196 HydrophobicContact CD1-CG 4.45Å; F194-F196 AromaticContact CE1-CD1 3.68Å; F194-F196 HydrophobicContact CE1-CD1 3.68Å; F194-F196 AromaticContact CE1-CE1 4Å; F194-F196 HydrophobicContact CE1-CE1 4Å; F194-F196 HydrophobicContact CE1-CG 4.16Å; F194-S201 WeakPolarHBondContact CD2-OG 3.36Å
195C94.1Very high94.2Very high0 Ų030.7 Ų30.70%015%0.153CC..EExtended strand (participates in β ladder)trans-109.8115.4172.7179.50000111R166 E168 H197 T198 G199 L200R166-C195 VanDerWaalsContact CB-SG 3.51Å; E168-C195 HydrophobicContact CG-CB 4.21Å; C195-H197 VanDerWaalsContact C-N 3.28Å; C195-H197 PolarHBondContact O-N 2.7Å; C195-T198 WeakPolarHBondContact CB-OG1 3.06Å; C195-T198 PolarHBondContact SG-OG1 3.3Å; C195-G199 WeakPolarHBondContact O-CA 3.31Å; C195-G199 PolarHBondContact O-N 3.2Å; C195-L200 PolarHBondContact N-O 3.37Å
196F84.8Confident94.4Very high81 Ų8130.3 Ų30.336%0.35515%0.149SC..THydrogen-bonded Turntrans-60-35.7178.3-65.6-78.5000114.1L150 I152 V169 F194L150-F196 HydrophobicContact CB-CE1 4.49Å; L150-F196 HydrophobicContact CB-CZ 3.79Å; L150-F196 HydrophobicContact CD2-CZ 4.01Å; L150-F196 HydrophobicContact CG-CZ 4.4Å; I152-F196 HydrophobicContact CD1-CD2 4.01Å; I152-F196 HydrophobicContact CG1-CD2 3.9Å; I152-F196 HydrophobicContact CG1-CE2 4.27Å; V169-F196 HydrophobicContact CG2-CD2 4.41Å; V169-F196 HydrophobicContact CG2-CE2 3.69Å; F194-F196 HydrophobicContact CD1-CD1 4.17Å; F194-F196 HydrophobicContact CD1-CE1 4.2Å; F194-F196 HydrophobicContact CD1-CG 4.45Å; F194-F196 AromaticContact CE1-CD1 3.68Å; F194-F196 HydrophobicContact CE1-CD1 3.68Å; F194-F196 AromaticContact CE1-CE1 4Å; F194-F196 HydrophobicContact CE1-CE1 4Å; F194-F196 HydrophobicContact CE1-CG 4.16Å
197H88.7Confident94.5Very high86 Ų8633.8 Ų33.840%0.39817%0.165SC..THydrogen-bonded Turntrans-77.2-34.1-171-53.891.8000112.2I152 Y165 C195I152-H197 VanDerWaalsContact CD1-CE1 3.46Å; I152-H197 WeakPolarHBondContact CD1-CE1 3.37Å; Y165-H197 AromaticContact CD1-CD2 3.75Å; Y165-H197 AromaticContact CD1-CE1 3.51Å; Y165-H197 AromaticContact CD1-NE2 3.31Å; Y165-H197 VanDerWaalsContact CD1-NE2 3.31Å; Y165-H197 WeakPolarHBondContact CD1-NE2 3.48Å; Y165-H197 AromaticContact CE1-CE1 3.31Å; Y165-H197 WeakPolarHBondContact CE1-CE1 3.2Å; Y165-H197 AromaticContact CE1-NE2 3.41Å; Y165-H197 WeakPolarHBondContact CE1-NE2 3.38Å; Y165-H197 WeakPolarHBondContact O-CB 3.36Å; Y165-H197 VanDerWaalsContact O-CG 3.31Å; C195-H197 VanDerWaalsContact C-N 3.28Å; C195-H197 PolarHBondContact O-N 2.7Å
198T87.7Confident94.4Very high43 Ų4333.7 Ų33.726%0.26417%0.174SC..THydrogen-bonded Turntrans-104.5-15.7-178.261.70000112.8R166 C195 L200 E291R166-T198 HydrophobicContact CB-CG2 4.4Å; C195-T198 WeakPolarHBondContact CB-OG1 3.06Å; C195-T198 PolarHBondContact SG-OG1 3.3Å; T198-L200 PolarHBondContact O-N 3.22Å; T198-L200 PolarHBondContact OG1-N 3.03Å; T198-E291 HydrophobicContact CG2-CG 4.46Å
199G89.7Confident94.2Very high47 Ų4730.7 Ų30.749%0.48517%0.167SC..  trans69.85.5-173.100000113.9C195C195-G199 WeakPolarHBondContact O-CA 3.31Å; C195-G199 PolarHBondContact O-N 3.2Å
200L90.9Very high93.9Very high65 Ų6532.7 Ų32.734%0.3418%0.176SC..  trans-89148.4-176.7-68.4168.2000111.5C195 T198 E291C195-L200 PolarHBondContact N-O 3.37Å; T198-L200 PolarHBondContact O-N 3.22Å; T198-L200 PolarHBondContact OG1-N 3.03Å; L200-E291 HydrophobicContact CD1-CB 3.08Å; L200-E291 HydrophobicContact CD1-CG 4.35Å
201S95.7Very high93.4Very high14 Ų1433.4 Ų33.410%0.09818%0.184CC..EExtended strand (participates in β ladder)trans-122.9143.9176.6-56.20000109.9T193 F194 Y203 P220T193-S201 WeakPolarHBondContact O-CA 3.41Å; T193-S201 WeakPolarHBondContact O-CB 3.43Å; T193-S201 PolarHBondContact O-OG 2.86Å; F194-S201 WeakPolarHBondContact CD2-OG 3.36Å; S201-Y203 WeakPolarHBondContact O-CD2 3.45Å; S201-Y203 WeakPolarHBondContact O-CE2 3.32Å; S201-P220 WeakPolarHBondContact O-CD 3.36Å
202Q96.2Very high93.1Very high0 Ų033.4 Ų33.40%018%0.184CC..EExtended strand (participates in β ladder)trans-82149.4157.6-163.1-176.18.300108.3L192 T193 F218 Y219 T237 W244L192-Q202 PolarHBondContact N-O 2.94Å; T193-Q202 HydrophobicContact CG2-CB 4.24Å; T193-Q202 PolarHBondContact N-O 3.29Å; T193-Q202 PolarHBondContact O-N 3.39Å; T193-Q202 WeakPolarHBondContact OG1-CB 3.45Å; T193-Q202 PolarHBondContact OG1-N 3.22Å; Q202-F218 VanDerWaalsContact CG-O 3.3Å; Q202-F218 WeakPolarHBondContact CG-O 3.44Å; Q202-Y219 HydrophobicContact CB-CD1 4.11Å; Q202-Y219 HydrophobicContact CB-CE1 3.75Å; Q202-Y219 HydrophobicContact CG-CD1 4.34Å; Q202-Y219 HydrophobicContact CG-CD2 4.26Å; Q202-Y219 HydrophobicContact CG-CE1 4.16Å; Q202-Y219 HydrophobicContact CG-CE2 4.09Å; Q202-Y219 HydrophobicContact CG-CG 4.4Å; Q202-T237 PolarHBondContact NE2-OG1 3.18Å; Q202-W244 VanDerWaalsContact NE2-NE1 3.16Å
203Y97.6Very high92.8Very high27 Ų2740.1 Ų40.111%0.10621%0.209CC..EExtended strand (participates in β ladder)trans-124.1159.7-179.3-67.8-99.4000111.2Q181 M186 L190 P191 S201 S217 F218 P220Q181-Y203 HydrophobicContact CG-CD1 4.21Å; Q181-Y203 HydrophobicContact CG-CE1 3.62Å; M186-Y203 HydrophobicContact CE-CD1 3.79Å; M186-Y203 HydrophobicContact CE-CD2 3.53Å; M186-Y203 HydrophobicContact CE-CE1 3.93Å; M186-Y203 HydrophobicContact CE-CE2 3.65Å; M186-Y203 HydrophobicContact CE-CG 3.6Å; L190-Y203 CarbonylContact O-C 3.39Å; L190-Y203 VanDerWaalsContact O-CA 3.28Å; L190-Y203 WeakPolarHBondContact O-CA 3.43Å; P191-Y203 HydrophobicContact CB-CD1 4.02Å; P191-Y203 HydrophobicContact CB-CE1 3.75Å; P191-Y203 HydrophobicContact CG-CE1 4.31Å; S201-Y203 WeakPolarHBondContact O-CD2 3.45Å; S201-Y203 WeakPolarHBondContact O-CE2 3.32Å; Y203-S217 CarbonylContact O-C 3.06Å; Y203-S217 WeakPolarHBondContact O-CA 3.22Å; Y203-F218 HydrophobicContact CG-CZ 4.43Å; Y203-F218 PolarHBondContact N-O 2.92Å; Y203-F218 PolarHBondContact O-N 3.39Å; Y203-P220 HydrophobicContact CD2-CG 3.99Å; Y203-P220 HydrophobicContact CE2-CG 3.82Å
204V97.6Very high92.7Very high2 Ų245.3 Ų45.31%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-116.9134.5164.5620000109.3S189 L190 L206 E216S189-V204 WeakPolarHBondContact CA-O 3.36Å; L190-V204 HydrophobicContact CB-CG1 3.94Å; L190-V204 PolarHBondContact N-O 2.92Å; L190-V204 PolarHBondContact O-N 3.48Å; V204-L206 HydrophobicContact CG1-CD2 4.08Å; V204-E216 WeakPolarHBondContact CA-O 3.2Å
205A96.7Very high92.6Very high0 Ų042.9 Ų42.90%022%0.224CC..EExtended strand (participates in β ladder)trans-78.9122.9173.300000110R212 R213 G215 E216 F218A205-R212 HydrophobicContact CB-CB 3.78Å; A205-R212 HydrophobicContact CB-CG 4.4Å; A205-R213 WeakPolarHBondContact CB-O 3.37Å; A205-G215 PolarHBondContact O-N 3.02Å; A205-E216 PolarHBondContact N-O 3.09Å; A205-F218 HydrophobicContact CB-CE1 4.38Å
206L96.8Very high92.7Very high0 Ų043 Ų430%022%0.224CC..SBendtrans-85.7-21.1179.5-56.5-170.4000113.1I130 C132 L134 P135 F180 R188 L190 V204 Q214I130-L206 HydrophobicContact CD1-CD1 3.57Å; C132-L206 HydrophobicContact CB-CD1 3.99Å; C132-L206 WeakPolarHBondContact SG-CB 3.33Å; L134-L206 HydrophobicContact CD2-CD1 4.19Å; L134-L206 HydrophobicContact CD2-CD2 4.13Å; P135-L206 HydrophobicContact CG-CD2 4.47Å; F180-L206 HydrophobicContact CD2-CD1 4.19Å; F180-L206 HydrophobicContact CE2-CD1 3.5Å; F180-L206 VanDerWaalsContact CE2-CD1 3.5Å; F180-L206 HydrophobicContact CE2-CG 4.17Å; F180-L206 HydrophobicContact CZ-CD1 4.17Å; R188-L206 WeakPolarHBondContact O-CB 3.45Å; R188-L206 PolarHBondContact O-N 3.27Å; L190-L206 HydrophobicContact CB-CD1 4.14Å; L190-L206 HydrophobicContact CB-CD2 3.97Å; L190-L206 HydrophobicContact CB-CG 4.07Å; L190-L206 HydrophobicContact CD2-CD2 4.33Å; V204-L206 HydrophobicContact CG1-CD2 4.08Å; L206-Q214 WeakPolarHBondContact O-CG 3.41Å; L206-Q214 PolarHBondContact O-NE2 2.74Å
207E94.6Very high93.2Very high73 Ų7339.2 Ų39.234%0.34121%0.208SC..SBendtrans-142161.6179.2-67.4179.416400109.7R188 A209R188-E207 HydrophobicContact CB-CB 4.22Å; R188-E207 WeakPolarHBondContact CD-OE2 3.3Å; R188-E207 HydrophobicContact CG-CB 4.27Å; R188-E207 WeakPolarHBondContact CG-OE2 3.15Å; R188-E207 IonicContact CZ-OE2 2.8Å; R188-E207 IonicContact NE-OE2 2.66Å; R188-E207 PolarHBondContact NE-OE2 3.47Å; R188-E207 IonicContact NH2-OE2 3.09Å; E207-A209 PolarHBondContact O-N 3.16Å
208D93.3Very high93.6Very high124 Ų12435.1 Ų35.166%0.66319%0.189SC*.SBendtrans-67.2111.5170.1-68.7-5000109.4R212 R213 Q214D208-R212 VanDerWaalsContact CA-O 3.31Å; D208-R212 WeakPolarHBondContact CA-O 3.38Å; D208-R213 WeakPolarHBondContact OD1-CA 3.44Å; D208-Q214 PolarHBondContact OD1-N 3.24Å
209A90.7Very high94Very high19 Ų1933.6 Ų33.616%0.15718%0.179CC..BIsolated β-bridgetrans-159.8133.2-176.700000112.3E207 G211 R212E207-A209 PolarHBondContact O-N 3.16Å; A209-G211 VanDerWaalsContact C-N 3.32Å; A209-G211 PolarHBondContact O-N 3.4Å; A209-R212 PolarHBondContact N-O 2.92Å; A209-R212 WeakPolarHBondContact O-CB 3.46Å; A209-R212 PolarHBondContact O-N 2.89Å; A209-R212 VanDerWaalsContact O-N 3.1Å; A209-R212 PolarHBondContact O-NE 2.9Å; A209-R212 PolarHBondContact O-NH2 3.38Å
210E89.3Confident94.3Very high41 Ų4132.5 Ų32.519%0.19216%0.163CC..THydrogen-bonded Turntrans5746.2173.3-47178.2136.600111.4G185 M186 R187 R212G185-E210 WeakPolarHBondContact CA-OE2 3.32Å; G185-E210 PolarHBondContact N-OE1 3.31Å; G185-E210 PolarHBondContact N-OE2 3.48Å; M186-E210 PolarHBondContact N-OE2 2.9Å; R187-E210 IonicContact CZ-OE1 3.91Å; R187-E210 PolarHBondContact N-OE2 3.46Å; R187-E210 IonicContact NE-OE1 3.77Å; R187-E210 PolarHBondContact NE-OE1 2.97Å; R187-E210 IonicContact NH2-OE1 2.88Å; R187-E210 PolarHBondContact NH2-OE1 3.1Å; E210-R212 PolarHBondContact O-N 3.47Å; E210-R212 IonicContact OE2-CZ 3.83Å; E210-R212 IonicContact OE2-NH2 3.32Å; E210-R212 PolarHBondContact OE2-NH2 3.16Å
211G87Confident94.4Very high16 Ų1629.7 Ų29.717%0.16515%0.149CC..THydrogen-bonded Turntrans77.3-5.9-177.900000115.3A209 R403A209-G211 VanDerWaalsContact C-N 3.32Å; A209-G211 PolarHBondContact O-N 3.4Å; G211-R403 WeakPolarHBondContact O-CD 3.37Å; G211-R403 PolarHBondContact O-NE 3.29Å; G211-R403 PolarHBondContact O-NH1 2.92Å
212R91.5Very high94.2Very high5 Ų532.9 Ų32.92%0.01917%0.169CC..BIsolated β-bridgetrans-82.3148.9174-67.2165.8-63-137-7.9111.6G185 M186 R187 S189 A205 D208 A209 E210 F218 M234G185-R212 PolarHBondContact O-NH1 3.23Å; M186-R212 VanDerWaalsContact CA-NH1 3.32Å; R187-R212 PolarHBondContact O-NH2 2.76Å; S189-R212 PolarHBondContact OG-NH1 3.18Å; S189-R212 VanDerWaalsContact OG-NH1 3.08Å; A205-R212 HydrophobicContact CB-CB 3.78Å; A205-R212 HydrophobicContact CB-CG 4.4Å; D208-R212 VanDerWaalsContact CA-O 3.31Å; D208-R212 WeakPolarHBondContact CA-O 3.38Å; A209-R212 PolarHBondContact N-O 2.92Å; A209-R212 WeakPolarHBondContact O-CB 3.46Å; A209-R212 PolarHBondContact O-N 2.89Å; A209-R212 VanDerWaalsContact O-N 3.1Å; A209-R212 PolarHBondContact O-NE 2.9Å; A209-R212 PolarHBondContact O-NH2 3.38Å; E210-R212 PolarHBondContact O-N 3.47Å; E210-R212 IonicContact OE2-CZ 3.83Å; E210-R212 IonicContact OE2-NH2 3.32Å; E210-R212 PolarHBondContact OE2-NH2 3.16Å; R212-F218 VanDerWaalsContact CD-CE1 3.42Å; R212-F218 VanDerWaalsContact CD-CZ 3.47Å; R212-F218 HydrophobicContact CG-CE1 4.33Å; R212-M234 HydrophobicContact CG-CE 3.52Å; R212-M234 HydrophobicContact CG-SD 3.3Å; R212-M234 WeakPolarHBondContact CG-SD 3.44Å
213R92.9Very high93.9Very high142 Ų14234.2 Ų34.254%0.53618%0.176SC..PPolyproline II helixtrans-98.7144.1168.1-67-177.4-65-106.7-3.2110.5A205 D208 G215 E216A205-R213 WeakPolarHBondContact CB-O 3.37Å; D208-R213 WeakPolarHBondContact OD1-CA 3.44Å; R213-G215 PolarHBondContact O-N 3.31Å; R213-E216 IonicContact CZ-OE2 3.54Å; R213-E216 IonicContact NE-OE2 3.32Å; R213-E216 IonicContact NH2-OE2 3.13Å; R213-E216 PolarHBondContact NH2-OE2 2.83Å; R213-E216 WeakPolarHBondContact O-CB 3.18Å; R213-E216 PolarHBondContact O-N 2.89Å; R213-E216 VanDerWaalsContact O-N 3.11Å
214Q94.9Very high93.5Very high109 Ų10939.7 Ų39.751%0.50920%0.203SC..THydrogen-bonded Turntrans-52.4133.8172.9175.2173.860.900111.2L206 D208 E216L206-Q214 WeakPolarHBondContact O-CG 3.41Å; L206-Q214 PolarHBondContact O-NE2 2.74Å; D208-Q214 PolarHBondContact OD1-N 3.24Å; Q214-E216 VanDerWaalsContact C-N 3.26Å; Q214-E216 PolarHBondContact O-N 3.17Å
215G94.6Very high93Very high6 Ų643.8 Ų43.86%0.06223%0.228CC..THydrogen-bonded Turntrans84.6-12.4-179.300000114.5A205 R213 S217 S239 S240A205-G215 PolarHBondContact O-N 3.02Å; R213-G215 PolarHBondContact O-N 3.31Å; G215-S217 PolarHBondContact O-N 3.44Å; G215-S239 CarbonylContact C-O 3.58Å; G215-S240 WeakPolarHBondContact O-CA 3.41Å
216E95.2Very high92.6Very high2 Ų245.4 Ų45.41%0.00924%0.242CC..  trans-70.5131.4-178.1-164.8173.661.500110.9V204 A205 R213 Q214 I236 G238 R403V204-E216 WeakPolarHBondContact CA-O 3.2Å; A205-E216 PolarHBondContact N-O 3.09Å; R213-E216 IonicContact CZ-OE2 3.54Å; R213-E216 IonicContact NE-OE2 3.32Å; R213-E216 IonicContact NH2-OE2 3.13Å; R213-E216 PolarHBondContact NH2-OE2 2.83Å; R213-E216 WeakPolarHBondContact O-CB 3.18Å; R213-E216 PolarHBondContact O-N 2.89Å; R213-E216 VanDerWaalsContact O-N 3.11Å; Q214-E216 VanDerWaalsContact C-N 3.26Å; Q214-E216 PolarHBondContact O-N 3.17Å; E216-I236 HydrophobicContact CG-CD1 4.28Å; E216-I236 HydrophobicContact CG-CG2 3.66Å; E216-I236 WeakPolarHBondContact OE1-CD1 3.35Å; E216-G238 WeakPolarHBondContact CA-O 3.13Å; E216-G238 WeakPolarHBondContact CG-O 3.39Å; E216-R403 IonicContact OE1-CZ 2.64Å; E216-R403 IonicContact OE1-NH1 2.76Å; E216-R403 PolarHBondContact OE1-NH1 3.36Å; E216-R403 IonicContact OE1-NH2 2.8Å; E216-R403 PolarHBondContact OE1-NH2 3.32Å; E216-R403 IonicContact OE2-CZ 2.67Å; E216-R403 IonicContact OE2-NH1 3.2Å; E216-R403 IonicContact OE2-NH2 3.9Å; E216-R403 PolarHBondContact OE2-NH2 2.93Å
217S96.6Very high92.2Very high2 Ų255 Ų551%0.01429%0.286CS..EExtended strand (participates in β ladder)trans-96.3143.1172.765.80000110.8Y203 G215 T237 G238Y203-S217 CarbonylContact O-C 3.06Å; Y203-S217 WeakPolarHBondContact O-CA 3.22Å; G215-S217 PolarHBondContact O-N 3.44Å; S217-T237 WeakPolarHBondContact CB-OG1 3.45Å; S217-T237 PolarHBondContact O-N 2.86Å; S217-T237 PolarHBondContact O-OG1 2.96Å; S217-T237 PolarHBondContact OG-OG1 3.16Å; S217-G238 PolarHBondContact N-O 3.21Å; S217-G238 PolarHBondContact O-N 2.88Å; S217-G238 WeakPolarHBondContact OG-CA 3.34Å; S217-G238 PolarHBondContact OG-N 3.35Å; S217-G238 VanDerWaalsContact OG-N 3.14Å
218F96.4Very high91.8Very high0 Ų054.7 Ų54.70%029%0.287CS..EExtended strand (participates in β ladder)trans-156.7158.7-176.566.1-80.5000113.3M186 Q202 Y203 A205 R212 P220 M234 F235 I236 T237M186-F218 HydrophobicContact CE-CE2 3.88Å; M186-F218 HydrophobicContact CE-CZ 3.97Å; M186-F218 HydrophobicContact SD-CE2 4.06Å; M186-F218 HydrophobicContact SD-CZ 4.39Å; Q202-F218 VanDerWaalsContact CG-O 3.3Å; Q202-F218 WeakPolarHBondContact CG-O 3.44Å; Y203-F218 HydrophobicContact CG-CZ 4.43Å; Y203-F218 PolarHBondContact N-O 2.92Å; Y203-F218 PolarHBondContact O-N 3.39Å; A205-F218 HydrophobicContact CB-CE1 4.38Å; R212-F218 VanDerWaalsContact CD-CE1 3.42Å; R212-F218 VanDerWaalsContact CD-CZ 3.47Å; R212-F218 HydrophobicContact CG-CE1 4.33Å; F218-P220 HydrophobicContact CE2-CB 4.42Å; F218-M234 HydrophobicContact CB-CB 4.15Å; F218-M234 HydrophobicContact CD2-CB 3.69Å; F218-M234 HydrophobicContact CE2-CB 4.48Å; F218-M234 HydrophobicContact CG-CB 4.18Å; F218-F235 CarbonylContact C-O 3.56Å; F218-F235 WeakPolarHBondContact CA-O 3.25Å; F218-F235 WeakPolarHBondContact CB-O 3.43Å; F218-I236 HydrophobicContact CB-CD1 3.99Å; F218-T237 PolarHBondContact N-OG1 3.22Å
219Y96.4Very high91.4Very high11 Ų1154.1 Ų54.14%0.04329%0.29CS..EExtended strand (participates in β ladder)trans-97.5129.7161.5-71.7-83.7000109.8R166 E168 Q202 M234 F235 T237 R266 P290R166-Y219 PolarHBondContact NH2-OH 2.95Å; E168-Y219 WeakPolarHBondContact OE1-CE1 3.43Å; E168-Y219 PolarHBondContact OE1-OH 3.02Å; E168-Y219 PolarHBondContact OE2-OH 2.73Å; Q202-Y219 HydrophobicContact CB-CD1 4.11Å; Q202-Y219 HydrophobicContact CB-CE1 3.75Å; Q202-Y219 HydrophobicContact CG-CD1 4.34Å; Q202-Y219 HydrophobicContact CG-CD2 4.26Å; Q202-Y219 HydrophobicContact CG-CE1 4.16Å; Q202-Y219 HydrophobicContact CG-CE2 4.09Å; Q202-Y219 HydrophobicContact CG-CG 4.4Å; Y219-M234 WeakPolarHBondContact O-CA 3.45Å; Y219-F235 PolarHBondContact N-O 2.93Å; Y219-F235 PolarHBondContact O-N 2.78Å; Y219-T237 HydrophobicContact CD2-CG2 3.53Å; Y219-T237 HydrophobicContact CE2-CG2 3.65Å; Y219-R266 PolarHBondContact OH-NH1 3.18Å; Y219-P290 HydrophobicContact CD1-CB 4.26Å; Y219-P290 HydrophobicContact CD2-CB 3.84Å; Y219-P290 HydrophobicContact CD2-CG 3.48Å; Y219-P290 VanDerWaalsContact CD2-CG 3.48Å; Y219-P290 HydrophobicContact CE2-CG 3.82Å; Y219-P290 HydrophobicContact CG-CB 3.67Å; Y219-P290 HydrophobicContact CG-CG 3.86Å
220P95.1Very high91.4Very high25 Ų2554 Ų5416%0.16229%0.288CS..EExtended strand (participates in β ladder)trans-71.5139.6173.830.6-33.7000109.9M186 S201 Y203 F218 I232M186-P220 HydrophobicContact CE-CB 4.02Å; M186-P220 HydrophobicContact CE-CG 4.19Å; M186-P220 HydrophobicContact SD-CB 3.82Å; S201-P220 WeakPolarHBondContact O-CD 3.36Å; Y203-P220 HydrophobicContact CD2-CG 3.99Å; Y203-P220 HydrophobicContact CE2-CG 3.82Å; F218-P220 HydrophobicContact CE2-CB 4.42Å; P220-I232 HydrophobicContact CB-CG2 3.78Å
221C94.3Very high91.4Very high5 Ų553 Ų533%0.03429%0.286CS..EExtended strand (participates in β ladder)trans-131.294.8179.8-179.10000107.6D223 D233 F235 S293 S294C221-D223 PolarHBondContact O-N 3.1Å; C221-D233 WeakPolarHBondContact CA-O 3.5Å; C221-D233 HydrophobicContact CB-CB 4.05Å; C221-D233 WeakPolarHBondContact CB-O 3.2Å; C221-D233 PolarHBondContact N-O 3.46Å; C221-D233 WeakPolarHBondContact O-CA 3.36Å; C221-D233 WeakPolarHBondContact O-CB 3.07Å; C221-D233 PolarHBondContact O-N 3.24Å; C221-F235 HydrophobicContact CB-CD2 3.97Å; C221-F235 HydrophobicContact CB-CE2 3.66Å; C221-F235 HydrophobicContact CB-CZ 4.39Å; C221-F235 VanDerWaalsContact SG-CE2 3.59Å; C221-S293 PolarHBondContact SG-O 3.45Å; C221-S294 VanDerWaalsContact SG-CA 3.54Å
222P90.7Very high91.6Very high81 Ų8152.4 Ų52.453%0.52628%0.28SS..EExtended strand (participates in β ladder)trans-59131178.5-23.334.1000111.1Q224P222-Q224 PolarHBondContact O-N 3.43Å
223D90.3Very high91.7Very high29 Ų2952.2 Ų52.216%0.15528%0.279CS..  trans-71.1112.9172.6179.8-13.6000108.5C221 T225 A226 A231 H296C221-D223 PolarHBondContact O-N 3.1Å; D223-T225 PolarHBondContact O-N 3.18Å; D223-T225 WeakPolarHBondContact OD1-CA 3.5Å; D223-T225 WeakPolarHBondContact OD1-CB 3.41Å; D223-T225 PolarHBondContact OD1-N 3.01Å; D223-T225 PolarHBondContact OD1-OG1 3.19Å; D223-A226 HydrophobicContact CB-CB 3.81Å; D223-A226 PolarHBondContact OD1-N 3.16Å; D223-A231 HydrophobicContact CB-CB 4.12Å; D223-A231 PolarHBondContact N-O 3.28Å; D223-A231 VanDerWaalsContact N-O 3.08Å; D223-H296 HydrophobicContact CB-CB 4.43Å; D223-H296 WeakPolarHBondContact OD1-CB 3.35Å; D223-H296 IonicContact OD2-CD2 3.24Å
224Q88.2Confident91.7Very high141 Ų14145.7 Ų45.766%0.65926%0.255SS*.SBendtrans-77.3-14.1-176.2-57.4178.89.900112.4P222 H296P222-Q224 PolarHBondContact O-N 3.43Å; Q224-H296 PolarHBondContact N-O 3Å
225T88.2Confident91.8Very high89 Ų8940.5 Ų40.555%0.54623%0.231SC..SBendtrans-97.6-1818071.60000112.5D223 H296 P297D223-T225 PolarHBondContact O-N 3.18Å; D223-T225 WeakPolarHBondContact OD1-CA 3.5Å; D223-T225 WeakPolarHBondContact OD1-CB 3.41Å; D223-T225 PolarHBondContact OD1-N 3.01Å; D223-T225 PolarHBondContact OD1-OG1 3.19Å; T225-H296 HydrophobicContact CG2-CB 4.44Å; T225-P297 HydrophobicContact CG2-CB 4.35Å; T225-P297 HydrophobicContact CG2-CG 4.41Å
226A88Confident91.8Very high34 Ų3441 Ų4128%0.28123%0.232SC..  trans-68.2139.3179.700000112.2D223 D228 A231D223-A226 HydrophobicContact CB-CB 3.81Å; D223-A226 PolarHBondContact OD1-N 3.16Å; A226-D228 VanDerWaalsContact C-N 3.32Å; A226-A231 HydrophobicContact CB-CB 3.47Å; A226-A231 VanDerWaalsContact CB-CB 3.47Å
227Q87.6Confident91.8Very high201 Ų20142.9 Ų42.994%0.93924%0.243SC*.SBendtrans-71.3-31.9168.5-65.4-179-2.100111.8P229Q227-P229 WeakPolarHBondContact O-CD 3.41Å
228D87.2Confident91.7Very high66 Ų6643.4 Ų43.435%0.35325%0.249SC..SBendtrans-86.4112177.2-175.4-9.1000109.6K184 A226 S230 A231K184-D228 IonicContact NZ-OD2 3.44Å; K184-D228 PolarHBondContact NZ-OD2 2.84Å; A226-D228 VanDerWaalsContact C-N 3.32Å; D228-S230 PolarHBondContact O-N 2.88Å; D228-S230 WeakPolarHBondContact OD1-CB 3.4Å; D228-S230 PolarHBondContact OD1-N 3.43Å; D228-S230 PolarHBondContact OD1-OG 3.11Å; D228-S230 PolarHBondContact OD2-OG 3.42Å; D228-A231 VanDerWaalsContact O-CB 3.28Å; D228-A231 WeakPolarHBondContact O-CB 3.32Å; D228-A231 PolarHBondContact O-N 3.08Å
229P85.1Confident91.6Very high112 Ų11247 Ų4773%0.72727%0.274SS*.THydrogen-bonded Turntrans-68.1-4.618030.3-37000113.6Q227Q227-P229 WeakPolarHBondContact O-CD 3.41Å
230S88.9Confident91.6Very high18 Ų1847.6 Ų47.613%0.12628%0.28CS..THydrogen-bonded Turntrans-90.1-3.4170.870.70000114K184 G185 D228 I232K184-S230 WeakPolarHBondContact CD-OG 3.38Å; K184-S230 VanDerWaalsContact CE-OG 3.32Å; K184-S230 WeakPolarHBondContact CE-OG 3.18Å; K184-S230 WeakPolarHBondContact CG-OG 3.07Å; K184-S230 PolarHBondContact NZ-OG 3.49Å; K184-S230 WeakPolarHBondContact O-CB 3.08Å; G185-S230 VanDerWaalsContact CA-O 3.26Å; G185-S230 WeakPolarHBondContact CA-O 3.28Å; D228-S230 PolarHBondContact O-N 2.88Å; D228-S230 WeakPolarHBondContact OD1-CB 3.4Å; D228-S230 PolarHBondContact OD1-N 3.43Å; D228-S230 PolarHBondContact OD1-OG 3.11Å; D228-S230 PolarHBondContact OD2-OG 3.42Å; S230-I232 PolarHBondContact O-N 3.39Å; S230-I232 VanDerWaalsContact O-N 3.16Å
231A90.1Very high91.8Very high18 Ų1846.6 Ų46.615%0.14927%0.273CS..  trans-69.7106.8168.100000109.1D223 A226 D228 P405D223-A231 HydrophobicContact CB-CB 4.12Å; D223-A231 PolarHBondContact N-O 3.28Å; D223-A231 VanDerWaalsContact N-O 3.08Å; A226-A231 HydrophobicContact CB-CB 3.47Å; A226-A231 VanDerWaalsContact CB-CB 3.47Å; D228-A231 VanDerWaalsContact O-CB 3.28Å; D228-A231 WeakPolarHBondContact O-CB 3.32Å; D228-A231 PolarHBondContact O-N 3.08Å; A231-P405 HydrophobicContact CB-CG 4.36Å
232I91.5Very high91.9Very high5 Ų547 Ų473%0.02628%0.275CS..EExtended strand (participates in β ladder)trans-128.9110.4-175.8-63.6172.8000107.1M186 P220 S230M186-I232 HydrophobicContact CG-CD1 3.56Å; M186-I232 HydrophobicContact SD-CD1 3.95Å; M186-I232 HydrophobicContact SD-CG2 4.17Å; P220-I232 HydrophobicContact CB-CG2 3.78Å; S230-I232 PolarHBondContact O-N 3.39Å; S230-I232 VanDerWaalsContact O-N 3.16Å
233D93.1Very high92.2Very high1 Ų146.7 Ų46.71%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-69.1165.1163.1-56.6-52.3000109.4C221 V295 H296 R403 E404 P405C221-D233 WeakPolarHBondContact CA-O 3.5Å; C221-D233 HydrophobicContact CB-CB 4.05Å; C221-D233 WeakPolarHBondContact CB-O 3.2Å; C221-D233 PolarHBondContact N-O 3.46Å; C221-D233 WeakPolarHBondContact O-CA 3.36Å; C221-D233 WeakPolarHBondContact O-CB 3.07Å; C221-D233 PolarHBondContact O-N 3.24Å; D233-V295 HydrophobicContact CB-CB 4.08Å; D233-V295 HydrophobicContact CB-CG2 3.92Å; D233-H296 IonicContact OD1-CD2 3.04Å; D233-H296 IonicContact OD2-CD2 2.64Å; D233-H296 PolarHBondContact OD2-CD2 2.95Å; D233-R403 WeakPolarHBondContact CA-O 3.5Å; D233-E404 VanDerWaalsContact OD1-CA 3.31Å; D233-E404 WeakPolarHBondContact OD1-CA 3.44Å; D233-P405 WeakPolarHBondContact OD1-CD 3.46Å
234M93.6Very high92.5Very high4 Ų445.9 Ų45.92%0.0226%0.264CS..EExtended strand (participates in β ladder)trans-146.4125.9-176.347.3-172.969.100112.1R212 F218 Y219 I236 Y402 R403R212-M234 HydrophobicContact CG-CE 3.52Å; R212-M234 HydrophobicContact CG-SD 3.3Å; R212-M234 WeakPolarHBondContact CG-SD 3.44Å; F218-M234 HydrophobicContact CB-CB 4.15Å; F218-M234 HydrophobicContact CD2-CB 3.69Å; F218-M234 HydrophobicContact CE2-CB 4.48Å; F218-M234 HydrophobicContact CG-CB 4.18Å; Y219-M234 WeakPolarHBondContact O-CA 3.45Å; M234-I236 HydrophobicContact CB-CD1 4.28Å; M234-I236 HydrophobicContact CG-CD1 3.92Å; M234-I236 PolarHBondContact O-N 2.83Å; M234-I236 HydrophobicContact SD-CD1 4.17Å; M234-Y402 CarbonylContact O-C 3.12Å; M234-Y402 WeakPolarHBondContact O-CA 3.42Å; M234-Y402 VanDerWaalsContact O-CB 3.32Å; M234-Y402 WeakPolarHBondContact O-CB 3.41Å; M234-R403 HydrophobicContact CG-CB 3.83Å; M234-R403 WeakPolarHBondContact CG-O 3.39Å; M234-R403 PolarHBondContact N-O 2.69Å; M234-R403 PolarHBondContact O-N 3.45Å; M234-R403 HydrophobicContact SD-CB 4.36Å
235F96.2Very high93Very high1 Ų139.2 Ų39.20%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-83.6111.6169.5-61.2-66.9000108.7F218 Y219 C221 F288 P290 V295 F300 C399F218-F235 CarbonylContact C-O 3.56Å; F218-F235 WeakPolarHBondContact CA-O 3.25Å; F218-F235 WeakPolarHBondContact CB-O 3.43Å; Y219-F235 PolarHBondContact N-O 2.93Å; Y219-F235 PolarHBondContact O-N 2.78Å; C221-F235 HydrophobicContact CB-CD2 3.97Å; C221-F235 HydrophobicContact CB-CE2 3.66Å; C221-F235 HydrophobicContact CB-CZ 4.39Å; C221-F235 VanDerWaalsContact SG-CE2 3.59Å; F235-F288 HydrophobicContact CB-CE1 4.36Å; F235-F288 AromaticContact CD1-CE1 3.78Å; F235-F288 HydrophobicContact CD1-CE1 3.78Å; F235-F288 AromaticContact CD1-CZ 3.76Å; F235-F288 HydrophobicContact CD1-CZ 3.76Å; F235-F288 HydrophobicContact CD2-CE1 4.11Å; F235-F288 HydrophobicContact CD2-CZ 4.26Å; F235-F288 HydrophobicContact CE1-CE1 4.1Å; F235-F288 AromaticContact CE1-CZ 3.58Å; F235-F288 HydrophobicContact CE1-CZ 3.58Å; F235-F288 HydrophobicContact CE2-CE1 4.34Å; F235-F288 HydrophobicContact CE2-CZ 4.05Å; F235-F288 AromaticContact CG-CE1 3.82Å; F235-F288 HydrophobicContact CG-CE1 3.82Å; F235-F288 HydrophobicContact CG-CZ 4.13Å; F235-F288 HydrophobicContact CZ-CE1 4.36Å; F235-F288 AromaticContact CZ-CZ 3.73Å; F235-F288 HydrophobicContact CZ-CZ 3.73Å; F235-P290 HydrophobicContact CD2-CB 3.86Å; F235-P290 HydrophobicContact CE2-CB 4.49Å; F235-V295 HydrophobicContact CE1-CG2 3.88Å; F235-V295 HydrophobicContact CZ-CG2 3.94Å; F235-F300 HydrophobicContact CE1-CD1 4.43Å; F235-F300 HydrophobicContact CE1-CE1 4.13Å; F235-C399 VanDerWaalsContact CE1-SG 3.59Å
236I95.5Very high93.5Very high17 Ų1736 Ų369%0.08721%0.214CC..EExtended strand (participates in β ladder)trans-77.8131.4-177.4-51.3-51.9000109.6E216 F218 M234 P400 P401E216-I236 HydrophobicContact CG-CD1 4.28Å; E216-I236 HydrophobicContact CG-CG2 3.66Å; E216-I236 WeakPolarHBondContact OE1-CD1 3.35Å; F218-I236 HydrophobicContact CB-CD1 3.99Å; M234-I236 HydrophobicContact CB-CD1 4.28Å; M234-I236 HydrophobicContact CG-CD1 3.92Å; M234-I236 PolarHBondContact O-N 2.83Å; M234-I236 HydrophobicContact SD-CD1 4.17Å; I236-P400 WeakPolarHBondContact O-CB 3.36Å; I236-P401 WeakPolarHBondContact CA-O 3.48Å; I236-P401 HydrophobicContact CB-CB 4.45Å; I236-P401 VanDerWaalsContact CB-O 3.27Å; I236-P401 WeakPolarHBondContact CB-O 3.47Å; I236-P401 WeakPolarHBondContact CG1-O 3.06Å; I236-P401 PolarHBondContact N-O 2.74Å
237T94.8Very high93.9Very high40 Ų4037.4 Ų37.425%0.24522%0.221CC..EExtended strand (participates in β ladder)trans-117.2-14.4-174.848.80000113.8Q202 S217 F218 Y219Q202-T237 PolarHBondContact NE2-OG1 3.18Å; S217-T237 WeakPolarHBondContact CB-OG1 3.45Å; S217-T237 PolarHBondContact O-N 2.86Å; S217-T237 PolarHBondContact O-OG1 2.96Å; S217-T237 PolarHBondContact OG-OG1 3.16Å; F218-T237 PolarHBondContact N-OG1 3.22Å; Y219-T237 HydrophobicContact CD2-CG2 3.53Å; Y219-T237 HydrophobicContact CE2-CG2 3.65Å
238G94.5Very high94.3Very high14 Ų1428.2 Ų28.214%0.14418%0.178CC..EExtended strand (participates in β ladder)trans-179.1152.1177.400000112.2E216 S217E216-G238 WeakPolarHBondContact CA-O 3.13Å; E216-G238 WeakPolarHBondContact CG-O 3.39Å; S217-G238 PolarHBondContact N-O 3.21Å; S217-G238 PolarHBondContact O-N 2.88Å; S217-G238 WeakPolarHBondContact OG-CA 3.34Å; S217-G238 PolarHBondContact OG-N 3.35Å; S217-G238 VanDerWaalsContact OG-N 3.14Å
239S94.8Very high94.8Very high74 Ų7425.1 Ų25.152%0.51716%0.162SC..SBendtrans-81.3-25.9-179.935.30000114.1G215 D243G215-S239 CarbonylContact C-O 3.58Å; S239-D243 PolarHBondContact OG-OD2 3.38Å
240S96.9Very high95.3Very high24 Ų2423.7 Ų23.717%0.16815%0.148CC..SBendtrans-150.2166-18069.40000109.2D137 G215 L242 D243 W244D137-S240 WeakPolarHBondContact OD2-CB 3.31Å; G215-S240 WeakPolarHBondContact O-CA 3.41Å; S240-L242 VanDerWaalsContact C-N 3.29Å; S240-D243 WeakPolarHBondContact OG-CB 3.34Å; S240-D243 PolarHBondContact OG-N 2.95Å; S240-D243 PolarHBondContact OG-OD2 3.25Å; S240-W244 WeakPolarHBondContact O-CB 3.38Å; S240-W244 PolarHBondContact O-N 2.85Å; S240-W244 VanDerWaalsContact O-N 3.09Å
241F97.8Very high95.6Very high4 Ų424.6 Ų24.62%0.01815%0.151CC..Hα-helixtrans-63.8-40.9173.4-177-76.8000110.1L92 D137 Y138 S141 Y142 L192 W244 F245L92-F241 HydrophobicContact CD2-CD1 4.25Å; L92-F241 HydrophobicContact CD2-CE1 4.28Å; D137-F241 WeakPolarHBondContact OD2-CA 3.31Å; D137-F241 WeakPolarHBondContact OD2-CB 3.26Å; D137-F241 PolarHBondContact OD2-N 2.77Å; Y138-F241 AromaticContact CD2-CD2 3.53Å; Y138-F241 HydrophobicContact CD2-CD2 3.53Å; Y138-F241 AromaticContact CD2-CE2 3.98Å; Y138-F241 HydrophobicContact CD2-CE2 3.98Å; Y138-F241 HydrophobicContact CD2-CG 4.27Å; Y138-F241 HydrophobicContact CE2-CD2 4.22Å; Y138-F241 HydrophobicContact CE2-CE2 4.3Å; Y138-F241 HydrophobicContact CG-CD2 4.34Å; S141-F241 WeakPolarHBondContact OG-CE1 3.25Å; S141-F241 WeakPolarHBondContact OG-CZ 3.42Å; Y142-F241 HydrophobicContact CD2-CE2 4.44Å; Y142-F241 AromaticContact CE2-CE2 3.72Å; Y142-F241 HydrophobicContact CE2-CE2 3.72Å; Y142-F241 HydrophobicContact CE2-CZ 4.04Å; L192-F241 HydrophobicContact CD1-CD2 3.9Å; L192-F241 HydrophobicContact CD1-CE2 3.66Å; F241-W244 HydrophobicContact CD2-CE3 4.06Å; F241-W244 HydrophobicContact CD2-CZ3 4.05Å; F241-W244 HydrophobicContact CE2-CE3 4.06Å; F241-W244 AromaticContact CE2-CZ3 3.61Å; F241-W244 HydrophobicContact CE2-CZ3 3.61Å; F241-W244 HydrophobicContact CG-CE3 4.47Å; F241-W244 HydrophobicContact CZ-CE3 4.36Å; F241-W244 AromaticContact CZ-CZ3 3.9Å; F241-W244 HydrophobicContact CZ-CZ3 3.9Å; F241-W244 PolarHBondContact O-N 3.24Å; F241-F245 HydrophobicContact CD1-CB 4.08Å; F241-F245 HydrophobicContact CE1-CB 3.61Å; F241-F245 HydrophobicContact CE1-CD1 4.32Å; F241-F245 HydrophobicContact CE1-CD2 4.43Å; F241-F245 AromaticContact CE1-CG 3.88Å; F241-F245 HydrophobicContact CE1-CG 3.88Å; F241-F245 HydrophobicContact CZ-CB 4.2Å; F241-F245 HydrophobicContact CZ-CD2 4.37Å; F241-F245 HydrophobicContact CZ-CG 4.28Å; F241-F245 VanDerWaalsContact O-CB 3.25Å; F241-F245 WeakPolarHBondContact O-CB 3.41Å; F241-F245 PolarHBondContact O-N 3.35Å
242L97.7Very high95.9Very high15 Ų1523.8 Ų23.88%0.07914%0.144CC..Hα-helixtrans-55.6-56.4177.2174.266.3000111.3Y88 E91 L92 D137 S240 W244 F245 S246Y88-L242 HydrophobicContact CD1-CD2 4.03Å; E91-L242 HydrophobicContact CB-CD1 3.97Å; E91-L242 HydrophobicContact CG-CD1 3.89Å; L92-L242 HydrophobicContact CD1-CD1 4.5Å; L92-L242 HydrophobicContact CD2-CD1 3.62Å; L92-L242 HydrophobicContact CG-CD1 3.64Å; D137-L242 HydrophobicContact CB-CB 4.12Å; D137-L242 PolarHBondContact OD2-N 3.43Å; S240-L242 VanDerWaalsContact C-N 3.29Å; L242-W244 VanDerWaalsContact C-N 3.32Å; L242-W244 PolarHBondContact O-N 3.19Å; L242-F245 PolarHBondContact O-N 3.4Å; L242-S246 WeakPolarHBondContact CD1-OG 3.28Å; L242-S246 WeakPolarHBondContact O-CB 3.33Å; L242-S246 PolarHBondContact O-N 3.04Å; L242-S246 PolarHBondContact O-OG 2.8Å
243D96.8Very high96.1Very high74 Ų7425.3 Ų25.340%0.39615%0.154SC..Hα-helixtrans-61.3-45.1-176.3-62.1-40.4000110.8S239 S240 S247S239-D243 PolarHBondContact OG-OD2 3.38Å; S240-D243 WeakPolarHBondContact OG-CB 3.34Å; S240-D243 PolarHBondContact OG-N 2.95Å; S240-D243 PolarHBondContact OG-OD2 3.25Å; D243-S247 WeakPolarHBondContact O-CB 3.31Å; D243-S247 PolarHBondContact O-N 3.44Å
244W97.3Very high96Very high12 Ų1229.1 Ų29.15%0.04518%0.177CC..Hα-helixtrans-60.2-50179.3170.774.1000111.9M156 L170 L192 T193 Q202 S240 F241 L242 Y248M156-W244 HydrophobicContact CG-CH2 4.49Å; M156-W244 HydrophobicContact SD-CH2 3.41Å; M156-W244 WeakPolarHBondContact SD-CH2 3.25Å; M156-W244 HydrophobicContact SD-CZ2 3.64Å; M156-W244 HydrophobicContact SD-CZ3 4.43Å; L170-W244 HydrophobicContact CD1-CH2 3.94Å; L170-W244 HydrophobicContact CD1-CZ3 4.28Å; L192-W244 HydrophobicContact CD1-CH2 4.22Å; L192-W244 HydrophobicContact CD1-CZ3 4.09Å; L192-W244 HydrophobicContact CD2-CD2 4.1Å; L192-W244 HydrophobicContact CD2-CE3 3.97Å; L192-W244 HydrophobicContact CD2-CH2 3.71Å; L192-W244 HydrophobicContact CD2-CZ2 3.86Å; L192-W244 HydrophobicContact CD2-CZ3 3.79Å; L192-W244 HydrophobicContact CG-CH2 3.9Å; L192-W244 HydrophobicContact CG-CZ2 4.36Å; L192-W244 HydrophobicContact CG-CZ3 4.17Å; T193-W244 HydrophobicContact CG2-CH2 4.11Å; T193-W244 HydrophobicContact CG2-CZ2 4.01Å; Q202-W244 VanDerWaalsContact NE2-NE1 3.16Å; S240-W244 WeakPolarHBondContact O-CB 3.38Å; S240-W244 PolarHBondContact O-N 2.85Å; S240-W244 VanDerWaalsContact O-N 3.09Å; F241-W244 HydrophobicContact CD2-CE3 4.06Å; F241-W244 HydrophobicContact CD2-CZ3 4.05Å; F241-W244 HydrophobicContact CE2-CE3 4.06Å; F241-W244 AromaticContact CE2-CZ3 3.61Å; F241-W244 HydrophobicContact CE2-CZ3 3.61Å; F241-W244 HydrophobicContact CG-CE3 4.47Å; F241-W244 HydrophobicContact CZ-CE3 4.36Å; F241-W244 AromaticContact CZ-CZ3 3.9Å; F241-W244 HydrophobicContact CZ-CZ3 3.9Å; F241-W244 PolarHBondContact O-N 3.24Å; L242-W244 VanDerWaalsContact C-N 3.32Å; L242-W244 PolarHBondContact O-N 3.19Å; W244-Y248 WeakPolarHBondContact O-CB 3.41Å; W244-Y248 PolarHBondContact O-N 3.41Å
245F98.3Very high95.8Very high0 Ų031 Ų310%020%0.198CC..Hα-helixtrans-74.7-43.9-176-173-106.9000112.2L92 A95 W96 L99 M156 F241 L242 S247 Y248 V249L92-F245 HydrophobicContact CD2-CD1 4.29Å; A95-F245 HydrophobicContact CB-CD1 4.27Å; A95-F245 HydrophobicContact CB-CE1 4.19Å; W96-F245 AromaticContact CD1-CE1 3.88Å; W96-F245 AromaticContact CD2-CE1 3.69Å; W96-F245 HydrophobicContact CD2-CE1 3.69Å; W96-F245 AromaticContact CD2-CZ 3.55Å; W96-F245 HydrophobicContact CD2-CZ 3.55Å; W96-F245 AromaticContact CE2-CE1 3.5Å; W96-F245 VanDerWaalsContact CE2-CE1 3.5Å; W96-F245 AromaticContact CE2-CZ 3.37Å; W96-F245 HydrophobicContact CE3-CE1 4.28Å; W96-F245 AromaticContact CE3-CZ 3.71Å; W96-F245 HydrophobicContact CE3-CZ 3.71Å; W96-F245 AromaticContact CG-CE1 3.94Å; W96-F245 HydrophobicContact CG-CE1 3.94Å; W96-F245 HydrophobicContact CG-CZ 4.29Å; W96-F245 AromaticContact CH2-CE2 3.92Å; W96-F245 HydrophobicContact CH2-CE2 3.92Å; W96-F245 AromaticContact CH2-CZ 3.58Å; W96-F245 HydrophobicContact CH2-CZ 3.58Å; W96-F245 AromaticContact CZ2-CE1 3.95Å; W96-F245 HydrophobicContact CZ2-CE1 3.95Å; W96-F245 AromaticContact CZ2-CE2 3.87Å; W96-F245 HydrophobicContact CZ2-CE2 3.87Å; W96-F245 AromaticContact CZ2-CZ 3.4Å; W96-F245 HydrophobicContact CZ2-CZ 3.4Å; W96-F245 VanDerWaalsContact CZ2-CZ 3.4Å; W96-F245 HydrophobicContact CZ3-CE2 4.37Å; W96-F245 AromaticContact CZ3-CZ 3.73Å; W96-F245 HydrophobicContact CZ3-CZ 3.73Å; W96-F245 AromaticContact NE1-CE1 3.62Å; W96-F245 AromaticContact NE1-CZ 3.99Å; L99-F245 HydrophobicContact CD2-CE2 4.36Å; L99-F245 HydrophobicContact CD2-CZ 3.95Å; M156-F245 HydrophobicContact CE-CD2 4.48Å; M156-F245 HydrophobicContact CE-CE2 4.09Å; F241-F245 HydrophobicContact CD1-CB 4.08Å; F241-F245 HydrophobicContact CE1-CB 3.61Å; F241-F245 HydrophobicContact CE1-CD1 4.32Å; F241-F245 HydrophobicContact CE1-CD2 4.43Å; F241-F245 AromaticContact CE1-CG 3.88Å; F241-F245 HydrophobicContact CE1-CG 3.88Å; F241-F245 HydrophobicContact CZ-CB 4.2Å; F241-F245 HydrophobicContact CZ-CD2 4.37Å; F241-F245 HydrophobicContact CZ-CG 4.28Å; F241-F245 VanDerWaalsContact O-CB 3.25Å; F241-F245 WeakPolarHBondContact O-CB 3.41Å; F241-F245 PolarHBondContact O-N 3.35Å; L242-F245 PolarHBondContact O-N 3.4Å; F245-S247 VanDerWaalsContact C-N 3.34Å; F245-S247 PolarHBondContact O-N 3.17Å; F245-Y248 WeakPolarHBondContact O-CB 3.36Å; F245-Y248 PolarHBondContact O-N 3.06Å; F245-V249 HydrophobicContact CD1-CG2 4.14Å; F245-V249 HydrophobicContact CE1-CG2 3.73Å; F245-V249 HydrophobicContact CE2-CG2 4.21Å; F245-V249 HydrophobicContact CZ-CG2 3.76Å; F245-V249 WeakPolarHBondContact O-CG2 3.37Å; F245-V249 PolarHBondContact O-N 3.25Å
246S97.6Very high95.4Very high23 Ų2333.2 Ų33.216%0.16121%0.208CC..Hα-helixtrans-60.6-42.9176.3-70.90000111.3E91 L242 V249 N250E91-S246 PolarHBondContact OE1-OG 2.87Å; L242-S246 WeakPolarHBondContact CD1-OG 3.28Å; L242-S246 WeakPolarHBondContact O-CB 3.33Å; L242-S246 PolarHBondContact O-N 3.04Å; L242-S246 PolarHBondContact O-OG 2.8Å; S246-V249 PolarHBondContact O-N 3.2Å; S246-N250 WeakPolarHBondContact O-CB 3.38Å; S246-N250 PolarHBondContact O-N 3.47Å
247S96.1Very high95.3Very high63 Ų6333.1 Ų33.144%0.44121%0.207SC..Hα-helixtrans-64.5-41.2175.3-176.50000111.9D243 F245 N250 N251D243-S247 WeakPolarHBondContact O-CB 3.31Å; D243-S247 PolarHBondContact O-N 3.44Å; F245-S247 VanDerWaalsContact C-N 3.34Å; F245-S247 PolarHBondContact O-N 3.17Å; S247-N250 PolarHBondContact O-N 2.62Å; S247-N251 VanDerWaalsContact O-CG 3.3Å; S247-N251 PolarHBondContact O-N 3.39Å; S247-N251 VanDerWaalsContact O-N 3.09Å; S247-N251 PolarHBondContact O-ND2 3.04Å
248Y97.1Very high95.2Very high7 Ų732 Ų323%0.02720%0.201CC..Hα-helixtrans-58.3-52.6175.1173.3-101.1000111.3L155 M156 W244 F245 N250 N251 V252 F257 I264L155-Y248 VanDerWaalsContact O-CZ 3.29Å; L155-Y248 PolarHBondContact O-OH 2.9Å; M156-Y248 HydrophobicContact CE-CD1 4.07Å; M156-Y248 HydrophobicContact CE-CE1 3.76Å; M156-Y248 HydrophobicContact SD-CD1 4.46Å; M156-Y248 HydrophobicContact SD-CE1 4.39Å; W244-Y248 WeakPolarHBondContact O-CB 3.41Å; W244-Y248 PolarHBondContact O-N 3.41Å; F245-Y248 WeakPolarHBondContact O-CB 3.36Å; F245-Y248 PolarHBondContact O-N 3.06Å; Y248-N250 VanDerWaalsContact C-N 3.33Å; Y248-N250 PolarHBondContact O-N 3.32Å; Y248-N251 PolarHBondContact O-N 3.37Å; Y248-V252 HydrophobicContact CD1-CG2 4.44Å; Y248-V252 HydrophobicContact CE1-CG2 3.91Å; Y248-V252 HydrophobicContact CE2-CG2 4.05Å; Y248-V252 WeakPolarHBondContact O-CG2 3.21Å; Y248-V252 PolarHBondContact O-N 2.94Å; Y248-V252 VanDerWaalsContact O-N 3.08Å; Y248-F257 HydrophobicContact CD2-CD2 4.19Å; Y248-F257 AromaticContact CD2-CE2 3.73Å; Y248-F257 HydrophobicContact CD2-CE2 3.73Å; Y248-F257 AromaticContact CE2-CD2 3.97Å; Y248-F257 HydrophobicContact CE2-CD2 3.97Å; Y248-F257 AromaticContact CE2-CE2 3.9Å; Y248-F257 HydrophobicContact CE2-CE2 3.9Å; Y248-I264 WeakPolarHBondContact OH-CD1 3.35Å
249V97.7Very high95.1Very high2 Ų233.7 Ų33.71%0.01221%0.206CC..Hα-helixtrans-58.1-46.7178.8170.40000110.8A95 Q98 L99 F245 S246 N251 V252 V253A95-V249 HydrophobicContact CB-CB 4.33Å; A95-V249 HydrophobicContact CB-CG1 4.32Å; A95-V249 HydrophobicContact CB-CG2 4.2Å; A95-V249 WeakPolarHBondContact O-CG1 3.38Å; Q98-V249 HydrophobicContact CB-CG1 4.28Å; L99-V249 HydrophobicContact CB-CG1 4.04Å; L99-V249 HydrophobicContact CB-CG2 3.97Å; L99-V249 HydrophobicContact CD1-CG2 4.34Å; L99-V249 HydrophobicContact CD2-CG2 4.05Å; L99-V249 HydrophobicContact CG-CG2 4.34Å; F245-V249 HydrophobicContact CD1-CG2 4.14Å; F245-V249 HydrophobicContact CE1-CG2 3.73Å; F245-V249 HydrophobicContact CE2-CG2 4.21Å; F245-V249 HydrophobicContact CZ-CG2 3.76Å; F245-V249 WeakPolarHBondContact O-CG2 3.37Å; F245-V249 PolarHBondContact O-N 3.25Å; S246-V249 PolarHBondContact O-N 3.2Å; V249-N251 VanDerWaalsContact C-N 3.29Å; V249-N251 PolarHBondContact O-N 3.15Å; V249-V252 PolarHBondContact O-N 3.44Å; V249-V252 VanDerWaalsContact O-N 3.08Å; V249-V253 HydrophobicContact CG1-CG1 4.03Å; V249-V253 WeakPolarHBondContact O-CG1 3.49Å; V249-V253 WeakPolarHBondContact O-CG2 3.49Å; V249-V253 PolarHBondContact O-N 3.38Å
250N96.3Very high94.8Very high82 Ų8232.4 Ų32.444%0.43919%0.193SC..Hα-helixtrans-54.7-46.5178.3-179.773.9000111.4S246 S247 Y248 V252 V253 T254S246-N250 WeakPolarHBondContact O-CB 3.38Å; S246-N250 PolarHBondContact O-N 3.47Å; S247-N250 PolarHBondContact O-N 2.62Å; Y248-N250 VanDerWaalsContact C-N 3.33Å; Y248-N250 PolarHBondContact O-N 3.32Å; N250-V252 VanDerWaalsContact C-N 3.32Å; N250-V252 PolarHBondContact O-N 2.9Å; N250-V253 PolarHBondContact O-N 2.89Å; N250-T254 WeakPolarHBondContact O-CB 3.19Å; N250-T254 VanDerWaalsContact O-CG2 3.26Å; N250-T254 WeakPolarHBondContact O-CG2 3.34Å; N250-T254 PolarHBondContact O-N 2.97Å; N250-T254 PolarHBondContact O-OG1 3.28Å
251N95Very high94.5Very high37 Ų3740.2 Ų40.220%0.19822%0.224CC..Hα-helixtrans-64.2-36.4178.9-67.9-20.3000112.4S247 Y248 V249 E256 F257S247-N251 VanDerWaalsContact O-CG 3.3Å; S247-N251 PolarHBondContact O-N 3.39Å; S247-N251 VanDerWaalsContact O-N 3.09Å; S247-N251 PolarHBondContact O-ND2 3.04Å; Y248-N251 PolarHBondContact O-N 3.37Å; V249-N251 VanDerWaalsContact C-N 3.29Å; V249-N251 PolarHBondContact O-N 3.15Å; N251-E256 HydrophobicContact CB-CB 4.13Å; N251-E256 WeakPolarHBondContact O-CB 3.49Å; N251-E256 PolarHBondContact O-N 3.5Å; N251-F257 HydrophobicContact CB-CD1 3.98Å; N251-F257 HydrophobicContact CB-CD2 3.62Å; N251-F257 HydrophobicContact CB-CE1 3.97Å; N251-F257 HydrophobicContact CB-CE2 3.57Å; N251-F257 HydrophobicContact CB-CG 3.82Å; N251-F257 HydrophobicContact CB-CZ 3.77Å; N251-F257 PolarHBondContact O-N 3.42Å
252V95.6Very high94.2Very high0 Ų045 Ų450%025%0.246CC..Hα-helixtrans-66.7-51.4175.2177.10000111.4L99 F102 L103 Y248 V249 N250 T254 G255 F257 I264L99-V252 HydrophobicContact CD1-CB 4.23Å; L99-V252 HydrophobicContact CD1-CG1 3.95Å; F102-V252 HydrophobicContact CD1-CG1 3.79Å; F102-V252 HydrophobicContact CE1-CG1 3.75Å; F102-V252 WeakPolarHBondContact CE1-O 3.47Å; F102-V252 VanDerWaalsContact CZ-O 3.25Å; F102-V252 WeakPolarHBondContact CZ-O 3.36Å; L103-V252 HydrophobicContact CD2-CG1 4.22Å; Y248-V252 HydrophobicContact CD1-CG2 4.44Å; Y248-V252 HydrophobicContact CE1-CG2 3.91Å; Y248-V252 HydrophobicContact CE2-CG2 4.05Å; Y248-V252 WeakPolarHBondContact O-CG2 3.21Å; Y248-V252 PolarHBondContact O-N 2.94Å; Y248-V252 VanDerWaalsContact O-N 3.08Å; V249-V252 PolarHBondContact O-N 3.44Å; V249-V252 VanDerWaalsContact O-N 3.08Å; N250-V252 VanDerWaalsContact C-N 3.32Å; N250-V252 PolarHBondContact O-N 2.9Å; V252-T254 PolarHBondContact O-N 2.88Å; V252-G255 PolarHBondContact O-N 3.06Å; V252-F257 HydrophobicContact CG2-CB 4.3Å; V252-F257 HydrophobicContact CG2-CD2 3.91Å; V252-I264 HydrophobicContact CG1-CD1 4.25Å; V252-I264 HydrophobicContact CG1-CG1 4.4Å; V252-I264 HydrophobicContact CG2-CD1 4.23Å; V252-I264 HydrophobicContact CG2-CG2 3.85Å
253V95.4Very high93.9Very high37 Ų3746.1 Ų46.122%0.22425%0.251CS..Hα-helixtrans-75.4-26.9-170.7-570000113.4Q98 F102 V249 N250 G255Q98-V253 HydrophobicContact CB-CG1 4.29Å; F102-V253 HydrophobicContact CB-CG1 3.88Å; F102-V253 HydrophobicContact CD2-CB 4.24Å; F102-V253 HydrophobicContact CD2-CG1 4.4Å; F102-V253 HydrophobicContact CG-CB 4.42Å; F102-V253 HydrophobicContact CG-CG1 4.09Å; V249-V253 HydrophobicContact CG1-CG1 4.03Å; V249-V253 WeakPolarHBondContact O-CG1 3.49Å; V249-V253 WeakPolarHBondContact O-CG2 3.49Å; V249-V253 PolarHBondContact O-N 3.38Å; N250-V253 PolarHBondContact O-N 2.89Å; V253-G255 VanDerWaalsContact C-N 3.27Å
254T92.1Very high93.9Very high81 Ų8142.6 Ų42.650%0.49723%0.232SC..THydrogen-bonded Turntrans-79.8-10.5174.555.90000112.9N250 V252 E256N250-T254 WeakPolarHBondContact O-CB 3.19Å; N250-T254 VanDerWaalsContact O-CG2 3.26Å; N250-T254 WeakPolarHBondContact O-CG2 3.34Å; N250-T254 PolarHBondContact O-N 2.97Å; N250-T254 PolarHBondContact O-OG1 3.28Å; V252-T254 PolarHBondContact O-N 2.88Å; T254-E256 VanDerWaalsContact C-N 3.33Å; T254-E256 WeakPolarHBondContact OG1-CG 3.28Å
255G88.5Confident93.7Very high45 Ų4543 Ų4346%0.46423%0.234SC..THydrogen-bonded Turntrans83.26.7-178.900000114.4V252 V253 F257V252-G255 PolarHBondContact O-N 3.06Å; V253-G255 VanDerWaalsContact C-N 3.27Å; G255-F257 VanDerWaalsContact C-N 3.3Å
256E88.5Confident93.4Very high46 Ų4646 Ų4622%0.21525%0.246CC..SBendtrans-57.8-46.3170-68.5-64.2156.700110.1N251 T254 P258 H269N251-E256 HydrophobicContact CB-CB 4.13Å; N251-E256 WeakPolarHBondContact O-CB 3.49Å; N251-E256 PolarHBondContact O-N 3.5Å; T254-E256 VanDerWaalsContact C-N 3.33Å; T254-E256 WeakPolarHBondContact OG1-CG 3.28Å; E256-P258 WeakPolarHBondContact O-CD 3.33Å; E256-H269 PolarHBondContact OE2-N 2.85Å
257F93.4Very high93Very high15 Ų1545 Ų457%0.06624%0.239CC..SBendtrans-86.4104.8168.6-66.7-13.2000110.2Y248 N251 V252 G255 I264 F265 R266 Y267Y248-F257 HydrophobicContact CD2-CD2 4.19Å; Y248-F257 AromaticContact CD2-CE2 3.73Å; Y248-F257 HydrophobicContact CD2-CE2 3.73Å; Y248-F257 AromaticContact CE2-CD2 3.97Å; Y248-F257 HydrophobicContact CE2-CD2 3.97Å; Y248-F257 AromaticContact CE2-CE2 3.9Å; Y248-F257 HydrophobicContact CE2-CE2 3.9Å; N251-F257 HydrophobicContact CB-CD1 3.98Å; N251-F257 HydrophobicContact CB-CD2 3.62Å; N251-F257 HydrophobicContact CB-CE1 3.97Å; N251-F257 HydrophobicContact CB-CE2 3.57Å; N251-F257 HydrophobicContact CB-CG 3.82Å; N251-F257 HydrophobicContact CB-CZ 3.77Å; N251-F257 PolarHBondContact O-N 3.42Å; V252-F257 HydrophobicContact CG2-CB 4.3Å; V252-F257 HydrophobicContact CG2-CD2 3.91Å; G255-F257 VanDerWaalsContact C-N 3.3Å; F257-I264 HydrophobicContact CB-CG2 3.9Å; F257-I264 HydrophobicContact CD2-CG2 4.38Å; F257-F265 WeakPolarHBondContact CA-O 3.37Å; F257-F265 WeakPolarHBondContact CB-O 3.41Å; F257-R266 HydrophobicContact CD2-CG 4.24Å; F257-R266 HydrophobicContact CE1-CB 4.36Å; F257-R266 HydrophobicContact CE2-CG 4.07Å; F257-R266 HydrophobicContact CZ-CB 4.35Å; F257-R266 HydrophobicContact CZ-CG 4.3Å; F257-Y267 WeakPolarHBondContact CD1-O 3.3Å
258P91.4Very high92.7Very high16 Ų1644.8 Ų44.810%0.10424%0.237CC..  trans-65143.8-176.727.7-40.6000112.5E256 I260 F265 R305E256-P258 WeakPolarHBondContact O-CD 3.33Å; P258-I260 HydrophobicContact CB-CD1 4.47Å; P258-I260 HydrophobicContact CB-CG1 4.19Å; P258-I260 HydrophobicContact CG-CD1 4.34Å; P258-F265 VanDerWaalsContact CD-O 3.23Å; P258-F265 WeakPolarHBondContact CD-O 3.13Å; P258-F265 HydrophobicContact CG-CB 4.05Å; P258-F265 PolarHBondContact O-N 3.4Å; P258-R305 VanDerWaalsContact CG-CZ 3.49Å; P258-R305 VanDerWaalsContact CG-NH1 3.26Å
259I93Very high92.2Very high50 Ų5046.6 Ų46.626%0.25625%0.245SC..EExtended strand (participates in β ladder)trans-90.3113.6166.6-54.6-54.8000109.2F102 L103 R106 Q263 I264F102-I259 HydrophobicContact CE1-CD1 4.19Å; F102-I259 HydrophobicContact CE1-CG1 3.98Å; F102-I259 HydrophobicContact CZ-CG1 4.45Å; L103-I259 HydrophobicContact CD2-CD1 4.49Å; R106-I259 HydrophobicContact CB-CG2 4.42Å; I259-Q263 CarbonylContact C-O 3.53Å; I259-Q263 VanDerWaalsContact CA-O 3.26Å; I259-Q263 WeakPolarHBondContact CA-O 3.31Å; I259-I264 HydrophobicContact CD1-CB 4.21Å; I259-I264 HydrophobicContact CD1-CG1 3.56Å
260I89.6Confident91.7Very high47 Ų4751.2 Ų51.224%0.24127%0.267CS..EExtended strand (participates in β ladder)trans-122.5123178.9-50.6173.4000108P258 E262 Q263 F265P258-I260 HydrophobicContact CB-CD1 4.47Å; P258-I260 HydrophobicContact CB-CG1 4.19Å; P258-I260 HydrophobicContact CG-CD1 4.34Å; I260-E262 VanDerWaalsContact C-N 3.27Å; I260-E262 PolarHBondContact O-N 3.04Å; I260-Q263 PolarHBondContact N-O 3.33Å; I260-Q263 PolarHBondContact O-N 3.11Å; I260-F265 HydrophobicContact CB-CD2 3.69Å; I260-F265 HydrophobicContact CB-CE2 3.64Å; I260-F265 HydrophobicContact CB-CZ 4.46Å; I260-F265 HydrophobicContact CD1-CB 4.25Å; I260-F265 HydrophobicContact CD1-CD1 4.37Å; I260-F265 HydrophobicContact CD1-CD2 3.94Å; I260-F265 HydrophobicContact CD1-CE2 4.36Å; I260-F265 HydrophobicContact CD1-CG 3.95Å; I260-F265 HydrophobicContact CG1-CD2 3.97Å; I260-F265 HydrophobicContact CG1-CE2 4.37Å; I260-F265 HydrophobicContact CG1-CG 4.43Å; I260-F265 HydrophobicContact CG2-CE2 4.34Å
261K89.1Confident91.2Very high188 Ų18856 Ų5682%0.81728%0.284SS*.THydrogen-bonded Turntrans48.748.5-178.1-61.2177.3-179178.20112.4Q263K261-Q263 VanDerWaalsContact C-N 3.25Å; K261-Q263 PolarHBondContact O-N 2.82Å
262E91Very high90.8Very high105 Ų10557.4 Ų57.449%0.49131%0.307SS..THydrogen-bonded Turntrans61.624.3-178.8-50.8-176.5165.600115C107 I260C107-E262 PolarHBondContact SG-O 3.26Å; I260-E262 VanDerWaalsContact C-N 3.27Å; I260-E262 PolarHBondContact O-N 3.04Å
263Q93.1Very high90.8Very high38 Ų3857.7 Ų57.718%0.17831%0.309CS..EExtended strand (participates in β ladder)trans-126.4146.9176-53-177.544.400111.3M110 P153 S158 Y165 I259 I260 K261 F265M110-Q263 HydrophobicContact CE-CB 4.44Å; P153-Q263 HydrophobicContact CB-CB 4.34Å; P153-Q263 HydrophobicContact CB-CG 3.66Å; P153-Q263 HydrophobicContact CG-CG 4Å; S158-Q263 PolarHBondContact OG-OE1 3.16Å; Y165-Q263 PolarHBondContact OH-OE1 3.09Å; I259-Q263 CarbonylContact C-O 3.53Å; I259-Q263 VanDerWaalsContact CA-O 3.26Å; I259-Q263 WeakPolarHBondContact CA-O 3.31Å; I260-Q263 PolarHBondContact N-O 3.33Å; I260-Q263 PolarHBondContact O-N 3.11Å; K261-Q263 VanDerWaalsContact C-N 3.25Å; K261-Q263 PolarHBondContact O-N 2.82Å; Q263-F265 HydrophobicContact CB-CD2 4.27Å; Q263-F265 HydrophobicContact CB-CE2 3.87Å
264I95.2Very high90.8Very high0 Ų058.9 Ų58.90%032%0.316CS..EExtended strand (participates in β ladder)trans-79128.6174-57162.8000107.9L103 M110 G157 S158 Y248 V252 F257 I259L103-I264 HydrophobicContact CD1-CD1 4.21Å; L103-I264 HydrophobicContact CD2-CD1 3.87Å; L103-I264 HydrophobicContact CD2-CG1 4.11Å; M110-I264 HydrophobicContact CE-CD1 4.36Å; M110-I264 HydrophobicContact CE-CG1 4.22Å; M110-I264 HydrophobicContact SD-CD1 3.86Å; M110-I264 HydrophobicContact SD-CG1 4.21Å; G157-I264 CarbonylContact C-O 3.6Å; G157-I264 WeakPolarHBondContact CA-O 3.38Å; S158-I264 PolarHBondContact N-O 3.47Å; Y248-I264 WeakPolarHBondContact OH-CD1 3.35Å; V252-I264 HydrophobicContact CG1-CD1 4.25Å; V252-I264 HydrophobicContact CG1-CG1 4.4Å; V252-I264 HydrophobicContact CG2-CD1 4.23Å; V252-I264 HydrophobicContact CG2-CG2 3.85Å; F257-I264 HydrophobicContact CB-CG2 3.9Å; F257-I264 HydrophobicContact CD2-CG2 4.38Å; I259-I264 HydrophobicContact CD1-CB 4.21Å; I259-I264 HydrophobicContact CD1-CG1 3.56Å
265F93.5Very high91.1Very high20 Ų2056 Ų569%0.08830%0.3CS..BIsolated β-bridgetrans-113.4128.8173-80-108.1000110.5S158 F257 P258 I260 Q263 Y267S158-F265 WeakPolarHBondContact O-CA 3.26Å; F257-F265 WeakPolarHBondContact CA-O 3.37Å; F257-F265 WeakPolarHBondContact CB-O 3.41Å; P258-F265 VanDerWaalsContact CD-O 3.23Å; P258-F265 WeakPolarHBondContact CD-O 3.13Å; P258-F265 HydrophobicContact CG-CB 4.05Å; P258-F265 PolarHBondContact O-N 3.4Å; I260-F265 HydrophobicContact CB-CD2 3.69Å; I260-F265 HydrophobicContact CB-CE2 3.64Å; I260-F265 HydrophobicContact CB-CZ 4.46Å; I260-F265 HydrophobicContact CD1-CB 4.25Å; I260-F265 HydrophobicContact CD1-CD1 4.37Å; I260-F265 HydrophobicContact CD1-CD2 3.94Å; I260-F265 HydrophobicContact CD1-CE2 4.36Å; I260-F265 HydrophobicContact CD1-CG 3.95Å; I260-F265 HydrophobicContact CG1-CD2 3.97Å; I260-F265 HydrophobicContact CG1-CE2 4.37Å; I260-F265 HydrophobicContact CG1-CG 4.43Å; I260-F265 HydrophobicContact CG2-CE2 4.34Å; Q263-F265 HydrophobicContact CB-CD2 4.27Å; Q263-F265 HydrophobicContact CB-CE2 3.87Å; F265-Y267 HydrophobicContact CB-CD2 4.09Å; F265-Y267 HydrophobicContact CB-CE2 4.49Å; F265-Y267 HydrophobicContact CD1-CE2 4.27Å; F265-Y267 PolarHBondContact O-N 3.29Å
266R91.9Very high91.6Very high63 Ų6358 Ų5824%0.23830%0.304CS..  trans-84.352.5-173-67.6-177.365.8179.21.3113.5M156 E168 Y219 F257 S287M156-R266 VanDerWaalsContact O-CD 3.23Å; M156-R266 WeakPolarHBondContact O-CD 3.28Å; E168-R266 IonicContact OE2-NH1 3.08Å; E168-R266 PolarHBondContact OE2-NH1 3.22Å; Y219-R266 PolarHBondContact OH-NH1 3.18Å; F257-R266 HydrophobicContact CD2-CG 4.24Å; F257-R266 HydrophobicContact CE1-CB 4.36Å; F257-R266 HydrophobicContact CE2-CG 4.07Å; F257-R266 HydrophobicContact CZ-CB 4.35Å; F257-R266 HydrophobicContact CZ-CG 4.3Å; R266-S287 VanDerWaalsContact O-CB 3.25Å; R266-S287 WeakPolarHBondContact O-CB 3.4Å; R266-S287 PolarHBondContact O-OG 2.74Å
267Y90.6Very high92Very high4 Ų458 Ų582%0.01631%0.307CS..  trans-90.8129.6168.2-74.3-77.7000109.6F257 F265 T286 T303 R305F257-Y267 WeakPolarHBondContact CD1-O 3.3Å; F265-Y267 HydrophobicContact CB-CD2 4.09Å; F265-Y267 HydrophobicContact CB-CE2 4.49Å; F265-Y267 HydrophobicContact CD1-CE2 4.27Å; F265-Y267 PolarHBondContact O-N 3.29Å; Y267-T286 CarbonylContact C-O 3.52Å; Y267-T286 WeakPolarHBondContact CA-O 3.42Å; Y267-T303 WeakPolarHBondContact CE1-OG1 3.33Å; Y267-R305 HydrophobicContact CD1-CB 3.95Å; Y267-R305 HydrophobicContact CD2-CB 4.26Å; Y267-R305 HydrophobicContact CE1-CB 3.86Å; Y267-R305 HydrophobicContact CE2-CB 4.17Å; Y267-R305 HydrophobicContact CG-CB 4.16Å
268S88.2Confident92.2Very high58 Ų5860.6 Ų60.641%0.40634%0.338SS..BIsolated β-bridgetrans-92.9134.3171.5-175.60000109.8S285 T286S268-S285 CarbonylContact O-C 3.5Å; S268-S285 WeakPolarHBondContact O-CA 3.39Å; S268-S285 WeakPolarHBondContact O-CB 3.46Å; S268-T286 PolarHBondContact N-O 3.33Å; S268-T286 PolarHBondContact O-N 3.3Å
269H87.5Confident92.4Very high44 Ų4462.9 Ų62.920%0.20435%0.349CS..  trans-115.8107.3177.5179.457.8000110.3E256 K271 C273 V284E256-H269 PolarHBondContact OE2-N 2.85Å; H269-K271 PolarHBondContact O-N 3.44Å; H269-C273 PolarHBondContact CE1-O 3.38Å; H269-V284 PolarHBondContact ND1-O 3.21Å
270E87.2Confident92.7Very high100 Ų10060.6 Ų60.647%0.46734%0.338SS..  trans-69.8130.1169.6-65.8-179.4-176.700109.7G272 C273E270-G272 PolarHBondContact O-N 2.66Å; E270-C273 HydrophobicContact CB-CB 4.42Å; E270-C273 VanDerWaalsContact O-CB 3.31Å; E270-C273 WeakPolarHBondContact O-CB 3.41Å; E270-C273 PolarHBondContact O-N 3.18Å
271K84.6Confident93.1Very high182 Ų18259.4 Ų59.479%0.79133%0.333SS*.THydrogen-bonded Turntrans-55.5-25.5-177.3-65.7-178.3-179.4177.20114.1H269H269-K271 PolarHBondContact O-N 3.44Å
272G88.4Confident93.6Very high66 Ų6650.5 Ų50.568%0.6829%0.294SS*.THydrogen-bonded Turntrans-80.4-11.8176.500000114.6E270 V274E270-G272 PolarHBondContact O-N 2.66Å; G272-V274 PolarHBondContact O-N 3.15Å
273C93.9Very high93.9Very high6 Ų646.3 Ų46.34%0.04128%0.277CS..  trans-84.250-178-68.90000111.8H269 E270 S283 V284 P393 F395H269-C273 PolarHBondContact CE1-O 3.38Å; E270-C273 HydrophobicContact CB-CB 4.42Å; E270-C273 VanDerWaalsContact O-CB 3.31Å; E270-C273 WeakPolarHBondContact O-CB 3.41Å; E270-C273 PolarHBondContact O-N 3.18Å; C273-S283 WeakPolarHBondContact O-CA 3.13Å; C273-V284 PolarHBondContact O-N 3.48Å; C273-P393 VanDerWaalsContact C-CG 3.43Å; C273-P393 WeakPolarHBondContact O-CG 3.18Å; C273-F395 HydrophobicContact CB-CB 4.22Å; C273-F395 WeakPolarHBondContact SG-CB 3.39Å
274V96.8Very high94Very high62 Ų6244.6 Ų44.638%0.37627%0.269SS..EExtended strand (participates in β ladder)trans-133.7129.8173.9-172.70000109G272 V282G272-V274 PolarHBondContact O-N 3.15Å; V274-V282 WeakPolarHBondContact CA-O 3.13Å
275A98.1Very high94Very high20 Ų2044.9 Ų44.917%0.16527%0.271CS..EExtended strand (participates in β ladder)trans-124.3135.7169.900000110.1S281 V282 A391 P393A275-S281 CarbonylContact O-C 3.52Å; A275-S281 WeakPolarHBondContact O-CA 3.32Å; A275-V282 PolarHBondContact N-O 2.76Å; A275-V282 PolarHBondContact O-N 2.61Å; A275-A391 HydrophobicContact CB-CB 4.24Å; A275-P393 HydrophobicContact CB-CB 3.96Å; A275-P393 HydrophobicContact CB-CG 4.28Å
276T98.1Very high94.1Very high88 Ų8845 Ų4554%0.5427%0.274SS..EExtended strand (participates in β ladder)trans-116.3126177.6-57.70000109.3G278 I280 S281T276-G278 WeakPolarHBondContact CG2-O 3.48Å; T276-I280 CarbonylContact C-O 3.4Å; T276-I280 WeakPolarHBondContact CA-O 3.26Å; T276-S281 WeakPolarHBondContact CG2-OG 3.43Å; T276-S281 PolarHBondContact OG1-OG 3.15Å
277T98.1Very high94.2Very high46 Ų4643 Ų4328%0.28227%0.269SS..EExtended strand (participates in β ladder)trans-123.6106.7174.4-52.40000108.8D279 I280 Q389 A391T277-D279 PolarHBondContact O-N 3.15Å; T277-I280 PolarHBondContact N-O 2.78Å; T277-I280 PolarHBondContact O-N 2.68Å; T277-Q389 WeakPolarHBondContact CG2-O 3.45Å; T277-A391 PolarHBondContact OG1-N 3.17Å; T277-A391 VanDerWaalsContact OG1-N 3.09Å
278G96Very high94.3Very high69 Ų6944 Ų4471%0.71127%0.273SS*.THydrogen-bonded Turntrans58.7-125.6-169.700000110.9T276T276-G278 WeakPolarHBondContact CG2-O 3.48Å
279D97.6Very high94.6Very high64 Ų6441.2 Ų41.234%0.34225%0.254SS..THydrogen-bonded Turntrans-86.7-4.8-179.8-68.6-52.8000114.5T277 M310 S311 A314T277-D279 PolarHBondContact O-N 3.15Å; D279-M310 HydrophobicContact CB-CG 4.22Å; D279-M310 CarbonylContact O-C 3.56Å; D279-M310 WeakPolarHBondContact O-CA 3.27Å; D279-S311 PolarHBondContact O-N 3.36Å; D279-A314 HydrophobicContact CB-CB 3.72Å
280I98.5Very high94.8Very high3 Ų339.9 Ų39.92%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-97.6129.7179.2-57.8-64.1000110.2T276 T277 V282 I308 E309 M310 M351 V390T276-I280 CarbonylContact C-O 3.4Å; T276-I280 WeakPolarHBondContact CA-O 3.26Å; T277-I280 PolarHBondContact N-O 2.78Å; T277-I280 PolarHBondContact O-N 2.68Å; I280-V282 HydrophobicContact CG2-CG2 4.4Å; I280-I308 HydrophobicContact CG2-CG2 3.72Å; I280-E309 CarbonylContact C-O 3.56Å; I280-E309 VanDerWaalsContact CA-O 3.29Å; I280-E309 WeakPolarHBondContact CA-O 3.36Å; I280-M310 HydrophobicContact CD1-CB 3.65Å; I280-M310 HydrophobicContact CD1-CE 3.49Å; I280-M310 VanDerWaalsContact CD1-CE 3.49Å; I280-M310 HydrophobicContact CD1-CG 3.92Å; I280-M310 HydrophobicContact CG1-CE 4.44Å; I280-M351 HydrophobicContact CD1-CB 4Å; I280-M351 HydrophobicContact CD1-CG 4.31Å; I280-V390 HydrophobicContact CB-CG1 4.05Å; I280-V390 HydrophobicContact CB-CG2 4.14Å; I280-V390 HydrophobicContact CG1-CG2 4.31Å; I280-V390 HydrophobicContact CG2-CG1 3.61Å; I280-V390 HydrophobicContact CG2-CG2 4.27Å
281S98.4Very high94.9Very high22 Ų2236.8 Ų36.815%0.15424%0.235CC..EExtended strand (participates in β ladder)trans-114.5136.3168.7-58.80000110.8A275 T276 I308 E309A275-S281 CarbonylContact O-C 3.52Å; A275-S281 WeakPolarHBondContact O-CA 3.32Å; T276-S281 WeakPolarHBondContact CG2-OG 3.43Å; T276-S281 PolarHBondContact OG1-OG 3.15Å; S281-I308 WeakPolarHBondContact O-CA 3.32Å; S281-E309 PolarHBondContact N-O 3.32Å; S281-E309 PolarHBondContact O-N 2.88Å
282V98.5Very high95.3Very high0 Ų031.6 Ų31.60%022%0.215CC..EExtended strand (participates in β ladder)trans-116.1119.6175.2-178.50000108.1V274 A275 I280 I306 R307 I308 Y376 V390 I392V274-V282 WeakPolarHBondContact CA-O 3.13Å; A275-V282 PolarHBondContact N-O 2.76Å; A275-V282 PolarHBondContact O-N 2.61Å; I280-V282 HydrophobicContact CG2-CG2 4.4Å; V282-I306 HydrophobicContact CG1-CG2 3.74Å; V282-R307 WeakPolarHBondContact CA-O 3.48Å; V282-I308 HydrophobicContact CG2-CG1 4.46Å; V282-I308 HydrophobicContact CG2-CG2 4.39Å; V282-Y376 HydrophobicContact CG1-CE2 4.07Å; V282-Y376 HydrophobicContact CG2-CD2 4.14Å; V282-Y376 HydrophobicContact CG2-CE2 4.06Å; V282-V390 HydrophobicContact CG2-CG1 3.71Å; V282-I392 HydrophobicContact CG1-CG1 4.39Å; V282-I392 HydrophobicContact CG1-CG2 4.24Å
283S97.2Very high95.6Very high18 Ų1829 Ų2913%0.12619%0.186CC..EExtended strand (participates in β ladder)trans-116.4144.5172.663.80000111.6C273 I306 R307C273-S283 WeakPolarHBondContact O-CA 3.13Å; S283-I306 WeakPolarHBondContact O-CA 3.47Å; S283-R307 PolarHBondContact N-O 3.18Å; S283-R307 PolarHBondContact O-N 3.14Å
284V96.6Very high95.7Very high2 Ų228.9 Ų28.91%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-125.3132.6-175.4-1690000110.8H269 C273 T286 R305 I306 I392 P393 F395H269-V284 PolarHBondContact ND1-O 3.21Å; C273-V284 PolarHBondContact O-N 3.48Å; V284-T286 HydrophobicContact CG1-CG2 4.44Å; V284-R305 WeakPolarHBondContact CA-O 3.49Å; V284-I306 HydrophobicContact CG1-CG1 4.1Å; V284-I306 HydrophobicContact CG2-CG1 4.11Å; V284-I392 HydrophobicContact CG2-CG2 4.2Å; V284-P393 HydrophobicContact CG2-CG 3.9Å; V284-F395 HydrophobicContact CB-CB 4.42Å; V284-F395 HydrophobicContact CB-CD1 3.84Å; V284-F395 HydrophobicContact CB-CE1 4.21Å; V284-F395 HydrophobicContact CB-CG 4.11Å; V284-F395 HydrophobicContact CG1-CB 4.44Å; V284-F395 HydrophobicContact CG1-CD1 3.65Å; V284-F395 HydrophobicContact CG1-CD2 3.92Å; V284-F395 HydrophobicContact CG1-CE1 3.69Å; V284-F395 HydrophobicContact CG1-CE2 3.96Å; V284-F395 HydrophobicContact CG1-CG 3.75Å; V284-F395 HydrophobicContact CG1-CZ 3.85Å; V284-F395 HydrophobicContact CG2-CD1 3.73Å; V284-F395 HydrophobicContact CG2-CE1 3.9Å; V284-F395 HydrophobicContact CG2-CG 4.49Å
285S94.4Very high95.6Very high5 Ų526.1 Ų26.14%0.03517%0.169CC..EExtended strand (participates in β ladder)trans-121.2141.5170.5-40.10000109.3S268 Y304 R305S268-S285 CarbonylContact O-C 3.5Å; S268-S285 WeakPolarHBondContact O-CA 3.39Å; S268-S285 WeakPolarHBondContact O-CB 3.46Å; S285-Y304 CarbonylContact O-C 3.46Å; S285-Y304 VanDerWaalsContact O-CA 3.25Å; S285-Y304 WeakPolarHBondContact O-CA 3.42Å; S285-R305 PolarHBondContact N-O 3.35Å; S285-R305 PolarHBondContact O-N 3.39Å
286T95.1Very high95.2Very high24 Ų2427.7 Ų27.715%0.14717%0.173CC..EExtended strand (participates in β ladder)trans-121158.1-175.961.70000111.8Y267 S268 V284 T303 F395 M397Y267-T286 CarbonylContact C-O 3.52Å; Y267-T286 WeakPolarHBondContact CA-O 3.42Å; S268-T286 PolarHBondContact N-O 3.33Å; S268-T286 PolarHBondContact O-N 3.3Å; V284-T286 HydrophobicContact CG1-CG2 4.44Å; T286-T303 CarbonylContact C-O 3.56Å; T286-T303 VanDerWaalsContact CA-O 3.31Å; T286-T303 WeakPolarHBondContact CA-O 3.29Å; T286-F395 HydrophobicContact CG2-CD2 3.59Å; T286-F395 HydrophobicContact CG2-CE2 4.01Å; T286-M397 HydrophobicContact CG2-CG 3.7Å; T286-M397 HydrophobicContact CG2-SD 4.42Å
287S93.6Very high95Very high19 Ų1925.5 Ų25.513%0.13316%0.16CC..EExtended strand (participates in β ladder)trans-146.5132.8174.5-163.50000110.2R266 L289 F302 T303R266-S287 VanDerWaalsContact O-CB 3.25Å; R266-S287 WeakPolarHBondContact O-CB 3.4Å; R266-S287 PolarHBondContact O-OG 2.74Å; S287-L289 WeakPolarHBondContact O-CD1 3.26Å; S287-F302 CarbonylContact O-C 3.6Å; S287-F302 VanDerWaalsContact O-CA 3.32Å; S287-F302 WeakPolarHBondContact O-CA 3.35Å; S287-T303 WeakPolarHBondContact CB-OG1 3.04Å; S287-T303 PolarHBondContact N-O 2.79Å; S287-T303 PolarHBondContact O-N 3.31Å
288F94.4Very high94.8Very high25 Ų2526.1 Ų26.111%0.1117%0.165CC..EExtended strand (participates in β ladder)trans-86.3138.4171.5175.7-106.8000110.2F235 P290 S293 F300 F302 C399 P400F235-F288 HydrophobicContact CB-CE1 4.36Å; F235-F288 AromaticContact CD1-CE1 3.78Å; F235-F288 HydrophobicContact CD1-CE1 3.78Å; F235-F288 AromaticContact CD1-CZ 3.76Å; F235-F288 HydrophobicContact CD1-CZ 3.76Å; F235-F288 HydrophobicContact CD2-CE1 4.11Å; F235-F288 HydrophobicContact CD2-CZ 4.26Å; F235-F288 HydrophobicContact CE1-CE1 4.1Å; F235-F288 AromaticContact CE1-CZ 3.58Å; F235-F288 HydrophobicContact CE1-CZ 3.58Å; F235-F288 HydrophobicContact CE2-CE1 4.34Å; F235-F288 HydrophobicContact CE2-CZ 4.05Å; F235-F288 AromaticContact CG-CE1 3.82Å; F235-F288 HydrophobicContact CG-CE1 3.82Å; F235-F288 HydrophobicContact CG-CZ 4.13Å; F235-F288 HydrophobicContact CZ-CE1 4.36Å; F235-F288 AromaticContact CZ-CZ 3.73Å; F235-F288 HydrophobicContact CZ-CZ 3.73Å; F288-P290 HydrophobicContact CD1-CG 3.87Å; F288-P290 HydrophobicContact CE1-CB 4.12Å; F288-P290 HydrophobicContact CE1-CG 3.75Å; F288-P290 WeakPolarHBondContact O-CD 3.31Å; F288-S293 WeakPolarHBondContact CE2-OG 3.15Å; F288-S293 VanDerWaalsContact CZ-CB 3.5Å; F288-S293 WeakPolarHBondContact CZ-OG 3.47Å; F288-F300 HydrophobicContact CE2-CB 4.29Å; F288-F300 HydrophobicContact CE2-CD1 4.08Å; F288-F300 HydrophobicContact CZ-CD1 4.47Å; F288-F302 HydrophobicContact CB-CD1 3.98Å; F288-F302 HydrophobicContact CB-CE1 3.8Å; F288-F302 HydrophobicContact CD2-CD1 4.06Å; F288-F302 AromaticContact CD2-CE1 3.6Å; F288-F302 HydrophobicContact CD2-CE1 3.6Å; F288-F302 HydrophobicContact CD2-CE2 4.27Å; F288-F302 AromaticContact CD2-CZ 3.73Å; F288-F302 HydrophobicContact CD2-CZ 3.73Å; F288-F302 HydrophobicContact CE2-CZ 4.4Å; F288-F302 HydrophobicContact CG-CE1 4.14Å; F288-C399 HydrophobicContact CE2-CB 4.31Å; F288-C399 VanDerWaalsContact CZ-SG 3.57Å; F288-P400 HydrophobicContact CD1-CG 3.75Å; F288-P400 HydrophobicContact CE1-CG 4.33Å; F288-P400 HydrophobicContact CG-CG 4.33Å
289L93.1Very high94.8Very high1 Ų127.1 Ų27.11%0.00515%0.151CC..  trans-114.794-178.1-79.664.5000110.5M159 S287 E291 L292 S293 F301 T303M159-L289 HydrophobicContact CE-CD1 4.03Å; M159-L289 HydrophobicContact CE-CD2 3.28Å; M159-L289 HydrophobicContact CE-CG 3.4Å; M159-L289 HydrophobicContact SD-CD1 3.43Å; M159-L289 WeakPolarHBondContact SD-CD1 3.15Å; M159-L289 HydrophobicContact SD-CD2 3.52Å; M159-L289 VanDerWaalsContact SD-CD2 3.52Å; M159-L289 HydrophobicContact SD-CG 3.53Å; M159-L289 VanDerWaalsContact SD-CG 3.53Å; S287-L289 WeakPolarHBondContact O-CD1 3.26Å; L289-E291 PolarHBondContact O-N 3.26Å; L289-L292 HydrophobicContact CB-CB 4.44Å; L289-L292 HydrophobicContact CD2-CD1 3.91Å; L289-L292 HydrophobicContact CD2-CG 4.44Å; L289-L292 PolarHBondContact O-N 2.94Å; L289-S293 WeakPolarHBondContact O-CB 3.41Å; L289-S293 PolarHBondContact O-N 3.4Å; L289-S293 PolarHBondContact O-OG 2.67Å; L289-F301 HydrophobicContact CB-CB 4.42Å; L289-F301 HydrophobicContact CB-CD1 4.1Å; L289-F301 HydrophobicContact CD1-CD1 4.42Å; L289-F301 HydrophobicContact CD2-CD1 3.64Å; L289-F301 HydrophobicContact CD2-CE1 3.7Å; L289-F301 HydrophobicContact CG-CD1 4.29Å; L289-F301 PolarHBondContact N-O 3.03Å; L289-T303 HydrophobicContact CD1-CG2 3.66Å; L289-T303 HydrophobicContact CD2-CG2 3.92Å; L289-T303 HydrophobicContact CG-CG2 4.45Å
290P92.8Very high94.7Very high15 Ų1524.3 Ų24.310%0.09714%0.135CC..G310 helixtrans-54.2-37.3179-25.632.9000113.5Y219 F235 F288 L292 S293Y219-P290 HydrophobicContact CD1-CB 4.26Å; Y219-P290 HydrophobicContact CD2-CB 3.84Å; Y219-P290 HydrophobicContact CD2-CG 3.48Å; Y219-P290 VanDerWaalsContact CD2-CG 3.48Å; Y219-P290 HydrophobicContact CE2-CG 3.82Å; Y219-P290 HydrophobicContact CG-CB 3.67Å; Y219-P290 HydrophobicContact CG-CG 3.86Å; F235-P290 HydrophobicContact CD2-CB 3.86Å; F235-P290 HydrophobicContact CE2-CB 4.49Å; F288-P290 HydrophobicContact CD1-CG 3.87Å; F288-P290 HydrophobicContact CE1-CB 4.12Å; F288-P290 HydrophobicContact CE1-CG 3.75Å; F288-P290 WeakPolarHBondContact O-CD 3.31Å; P290-L292 VanDerWaalsContact C-N 3.3Å; P290-L292 PolarHBondContact O-N 3.38Å; P290-S293 PolarHBondContact O-N 2.96Å
291E89.5Confident94.5Very high36 Ų3625.3 Ų25.317%0.16814%0.14CC..G310 helixtrans-69-23.2-176.363.9-81.3-170.100115.3M159 H164 R166 T198 L200 L289M159-E291 WeakPolarHBondContact CE-OE1 3.3Å; H164-E291 IonicContact NE2-OE1 3Å; R166-E291 WeakPolarHBondContact CD-OE1 3.39Å; R166-E291 IonicContact CZ-OE1 2.68Å; R166-E291 IonicContact CZ-OE2 2.75Å; R166-E291 VanDerWaalsContact CZ-OE2 3.3Å; R166-E291 IonicContact NE-OE1 2.79Å; R166-E291 IonicContact NH1-OE1 2.9Å; R166-E291 PolarHBondContact NH1-OE1 3.4Å; R166-E291 IonicContact NH1-OE2 2.79Å; R166-E291 PolarHBondContact NH1-OE2 2.87Å; R166-E291 IonicContact NH2-OE2 3.21Å; T198-E291 HydrophobicContact CG2-CG 4.46Å; L200-E291 HydrophobicContact CD1-CB 3.08Å; L200-E291 HydrophobicContact CD1-CG 4.35Å; L289-E291 PolarHBondContact O-N 3.26Å
292L91.9Very high94.4Very high73 Ų7324.4 Ų24.438%0.38213%0.133SC..G310 helixtrans-107.710.4176.2-61.3-175.2000111.2L289 P290 F301L289-L292 HydrophobicContact CB-CB 4.44Å; L289-L292 HydrophobicContact CD2-CD1 3.91Å; L289-L292 HydrophobicContact CD2-CG 4.44Å; L289-L292 PolarHBondContact O-N 2.94Å; P290-L292 VanDerWaalsContact C-N 3.3Å; P290-L292 PolarHBondContact O-N 3.38Å; L292-F301 HydrophobicContact CB-CB 3.8Å; L292-F301 HydrophobicContact CB-CD1 4.33Å; L292-F301 HydrophobicContact CB-CD2 3.75Å; L292-F301 HydrophobicContact CB-CE2 4.37Å; L292-F301 HydrophobicContact CB-CG 3.72Å; L292-F301 HydrophobicContact CD1-CD1 4.17Å; L292-F301 HydrophobicContact CD1-CD2 3.98Å; L292-F301 HydrophobicContact CD1-CE1 3.94Å; L292-F301 HydrophobicContact CD1-CE2 3.75Å; L292-F301 HydrophobicContact CD1-CG 4.18Å; L292-F301 HydrophobicContact CD1-CZ 3.71Å; L292-F301 WeakPolarHBondContact O-CB 3.43Å
293S95.1Very high94.2Very high10 Ų1024.4 Ų24.47%0.0713%0.133CC..  trans-115.4146.6-177.5-57.90000111.8C221 F288 L289 P290 H299 F301C221-S293 PolarHBondContact SG-O 3.45Å; F288-S293 WeakPolarHBondContact CE2-OG 3.15Å; F288-S293 VanDerWaalsContact CZ-CB 3.5Å; F288-S293 WeakPolarHBondContact CZ-OG 3.47Å; L289-S293 WeakPolarHBondContact O-CB 3.41Å; L289-S293 PolarHBondContact O-N 3.4Å; L289-S293 PolarHBondContact O-OG 2.67Å; P290-S293 PolarHBondContact O-N 2.96Å; S293-H299 CarbonylContact C-O 3.5Å; S293-H299 WeakPolarHBondContact CA-O 3.46Å; S293-H299 VanDerWaalsContact CB-O 3.3Å; S293-H299 WeakPolarHBondContact CB-O 3.47Å; S293-F301 PolarHBondContact OG-N 3.19Å
294S95.2Very high94.1Very high4 Ų424.4 Ų24.43%0.02813%0.13CC..BIsolated β-bridgetrans-134143.2172.653.90000111C221 P297 H299C221-S294 VanDerWaalsContact SG-CA 3.54Å; S294-P297 CarbonylContact C-O 3.47Å; S294-P297 WeakPolarHBondContact CB-O 3.27Å; S294-P297 PolarHBondContact OG-O 2.6Å; S294-H299 PolarHBondContact N-O 2.97Å; S294-H299 CarbonylContact O-C 3.53Å; S294-H299 PolarHBondContact O-N 3.05Å; S294-H299 WeakPolarHBondContact OG-CB 3.17Å
295V94.6Very high94Very high4 Ų425.9 Ų25.92%0.02414%0.136CC..THydrogen-bonded Turntrans-79.3-41.5168.8179.40000109.3D233 F235 P297 P298 Y402 E404D233-V295 HydrophobicContact CB-CB 4.08Å; D233-V295 HydrophobicContact CB-CG2 3.92Å; F235-V295 HydrophobicContact CE1-CG2 3.88Å; F235-V295 HydrophobicContact CZ-CG2 3.94Å; V295-P297 CarbonylContact C-O 3.52Å; V295-P297 CarbonylContact O-C 3.57Å; V295-P298 WeakPolarHBondContact O-CA 3.09Å; V295-P298 VanDerWaalsContact O-N 3.13Å; V295-Y402 HydrophobicContact CB-CD2 4.38Å; V295-Y402 HydrophobicContact CB-CE2 4.41Å; V295-Y402 HydrophobicContact CG1-CD2 3.83Å; V295-Y402 HydrophobicContact CG1-CE2 3.47Å; V295-Y402 VanDerWaalsContact CG1-CE2 3.47Å; V295-Y402 HydrophobicContact CG2-CD2 3.56Å; V295-Y402 HydrophobicContact CG2-CE2 3.99Å; V295-Y402 HydrophobicContact CG2-CG 3.93Å; V295-E404 HydrophobicContact CG1-CG 4.23Å
296H91.7Very high94Very high54 Ų5425.7 Ų25.725%0.2513%0.134CC..THydrogen-bonded Turntrans-127.8115.8178.7-64.4-57.7000111.7D223 Q224 T225 D233 E404D223-H296 HydrophobicContact CB-CB 4.43Å; D223-H296 WeakPolarHBondContact OD1-CB 3.35Å; D223-H296 IonicContact OD2-CD2 3.24Å; Q224-H296 PolarHBondContact N-O 3Å; T225-H296 HydrophobicContact CG2-CB 4.44Å; D233-H296 IonicContact OD1-CD2 3.04Å; D233-H296 IonicContact OD2-CD2 2.64Å; D233-H296 PolarHBondContact OD2-CD2 2.95Å; H296-E404 IonicContact CE1-OE2 2.67Å; H296-E404 IonicContact NE2-OE1 3.34Å; H296-E404 IonicContact NE2-OE2 2.76Å; H296-E404 PolarHBondContact NE2-OE2 2.94Å; H296-E404 VanDerWaalsContact NE2-OE2 3.08Å
297P93.3Very high94.1Very high41 Ų4127.4 Ų27.427%0.26614%0.138SC..THydrogen-bonded Turncis-65157.6-12.529.2-30.6000110.8T225 S294 V295 H299T225-P297 HydrophobicContact CG2-CB 4.35Å; T225-P297 HydrophobicContact CG2-CG 4.41Å; S294-P297 CarbonylContact C-O 3.47Å; S294-P297 WeakPolarHBondContact CB-O 3.27Å; S294-P297 PolarHBondContact OG-O 2.6Å; V295-P297 CarbonylContact C-O 3.52Å; V295-P297 CarbonylContact O-C 3.57Å; P297-H299 PolarHBondContact O-CD2 2.68Å; P297-H299 PolarHBondContact O-N 2.9Å; P297-H299 VanDerWaalsContact O-N 3.09Å
298P93.4Very high94.3Very high59 Ų5926.5 Ų26.538%0.38313%0.132SC..THydrogen-bonded Turntrans-71111.6-17327.6-35000111.5V295 F300 S366V295-P298 WeakPolarHBondContact O-CA 3.09Å; V295-P298 VanDerWaalsContact O-N 3.13Å; P298-F300 HydrophobicContact CB-CE2 3.99Å; P298-S366 WeakPolarHBondContact CB-O 3.5Å
299H95.1Very high94.5Very high91 Ų9128.3 Ų28.342%0.42114%0.141SC..BIsolated β-bridgetrans-140.7106.9174.5-66.7-62000109.2S293 S294 P297 F365S293-H299 CarbonylContact C-O 3.5Å; S293-H299 WeakPolarHBondContact CA-O 3.46Å; S293-H299 VanDerWaalsContact CB-O 3.3Å; S293-H299 WeakPolarHBondContact CB-O 3.47Å; S294-H299 PolarHBondContact N-O 2.97Å; S294-H299 CarbonylContact O-C 3.53Å; S294-H299 PolarHBondContact O-N 3.05Å; S294-H299 WeakPolarHBondContact OG-CB 3.17Å; P297-H299 PolarHBondContact O-CD2 2.68Å; P297-H299 PolarHBondContact O-N 2.9Å; P297-H299 VanDerWaalsContact O-N 3.09Å; H299-F365 WeakPolarHBondContact CA-O 3.37Å
300F96Very high94.7Very high4 Ų428.4 Ų28.42%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-108.5110.7179.3-58.1-85000109.4F235 F288 P298 F302 T364 F365 T367 P368 C399 Y402F235-F300 HydrophobicContact CE1-CD1 4.43Å; F235-F300 HydrophobicContact CE1-CE1 4.13Å; F288-F300 HydrophobicContact CE2-CB 4.29Å; F288-F300 HydrophobicContact CE2-CD1 4.08Å; F288-F300 HydrophobicContact CZ-CD1 4.47Å; P298-F300 HydrophobicContact CB-CE2 3.99Å; F300-F302 HydrophobicContact CB-CD2 4.41Å; F300-F302 HydrophobicContact CB-CE2 3.65Å; F300-F302 HydrophobicContact CB-CZ 4.36Å; F300-T364 WeakPolarHBondContact O-CA 3.42Å; F300-F365 PolarHBondContact N-O 3.42Å; F300-F365 PolarHBondContact O-N 3.11Å; F300-T367 VanDerWaalsContact CD2-O 3.28Å; F300-T367 WeakPolarHBondContact CD2-O 3.42Å; F300-P368 HydrophobicContact CD1-CB 4.46Å; F300-P368 HydrophobicContact CE1-CB 4.08Å; F300-P368 HydrophobicContact CE2-CB 4.14Å; F300-P368 HydrophobicContact CZ-CB 3.91Å; F300-C399 HydrophobicContact CD1-CB 3.88Å; F300-C399 VanDerWaalsContact CD1-SG 3.58Å; F300-C399 HydrophobicContact CE1-CB 4.22Å; F300-Y402 HydrophobicContact CE1-CD1 4.49Å; F300-Y402 HydrophobicContact CE1-CE1 4.26Å; F300-Y402 HydrophobicContact CZ-CE1 4.29Å
301F95.3Very high95Very high25 Ų2529.8 Ų29.811%0.1115%0.151CC..EExtended strand (participates in β ladder)trans-94.8124.4-176.2-162.9-69.6000110.5L289 L292 S293 T303 C362 T364 C448L289-F301 HydrophobicContact CB-CB 4.42Å; L289-F301 HydrophobicContact CB-CD1 4.1Å; L289-F301 HydrophobicContact CD1-CD1 4.42Å; L289-F301 HydrophobicContact CD2-CD1 3.64Å; L289-F301 HydrophobicContact CD2-CE1 3.7Å; L289-F301 HydrophobicContact CG-CD1 4.29Å; L289-F301 PolarHBondContact N-O 3.03Å; L292-F301 HydrophobicContact CB-CB 3.8Å; L292-F301 HydrophobicContact CB-CD1 4.33Å; L292-F301 HydrophobicContact CB-CD2 3.75Å; L292-F301 HydrophobicContact CB-CE2 4.37Å; L292-F301 HydrophobicContact CB-CG 3.72Å; L292-F301 HydrophobicContact CD1-CD1 4.17Å; L292-F301 HydrophobicContact CD1-CD2 3.98Å; L292-F301 HydrophobicContact CD1-CE1 3.94Å; L292-F301 HydrophobicContact CD1-CE2 3.75Å; L292-F301 HydrophobicContact CD1-CG 4.18Å; L292-F301 HydrophobicContact CD1-CZ 3.71Å; L292-F301 WeakPolarHBondContact O-CB 3.43Å; S293-F301 PolarHBondContact OG-N 3.19Å; F301-T303 HydrophobicContact CD1-CG2 4.47Å; F301-T303 HydrophobicContact CE1-CG2 3.92Å; F301-C362 HydrophobicContact CD1-CB 4.45Å; F301-C362 HydrophobicContact CE1-CB 3.47Å; F301-C362 VanDerWaalsContact CE1-CB 3.47Å; F301-C362 HydrophobicContact CZ-CB 3.56Å; F301-C362 VanDerWaalsContact CZ-SG 3.58Å; F301-T364 HydrophobicContact CB-CG2 4.24Å; F301-T364 HydrophobicContact CD2-CG2 3.29Å; F301-T364 HydrophobicContact CE2-CG2 3.86Å; F301-T364 HydrophobicContact CG-CG2 3.94Å; F301-C448 WeakPolarHBondContact CE2-SG 3.48Å; F301-C448 WeakPolarHBondContact CZ-SG 3.47Å
302F95.3Very high95.3Very high2 Ų238.5 Ų38.51%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-122.9145176.2-63.2-91.1000110.7S287 F288 F300 C362 T363 F365 M397 C399S287-F302 CarbonylContact O-C 3.6Å; S287-F302 VanDerWaalsContact O-CA 3.32Å; S287-F302 WeakPolarHBondContact O-CA 3.35Å; F288-F302 HydrophobicContact CB-CD1 3.98Å; F288-F302 HydrophobicContact CB-CE1 3.8Å; F288-F302 HydrophobicContact CD2-CD1 4.06Å; F288-F302 AromaticContact CD2-CE1 3.6Å; F288-F302 HydrophobicContact CD2-CE1 3.6Å; F288-F302 HydrophobicContact CD2-CE2 4.27Å; F288-F302 AromaticContact CD2-CZ 3.73Å; F288-F302 HydrophobicContact CD2-CZ 3.73Å; F288-F302 HydrophobicContact CE2-CZ 4.4Å; F288-F302 HydrophobicContact CG-CE1 4.14Å; F300-F302 HydrophobicContact CB-CD2 4.41Å; F300-F302 HydrophobicContact CB-CE2 3.65Å; F300-F302 HydrophobicContact CB-CZ 4.36Å; F302-C362 CarbonylContact O-C 3.46Å; F302-C362 VanDerWaalsContact O-CA 3.23Å; F302-C362 WeakPolarHBondContact O-CA 3.47Å; F302-C362 WeakPolarHBondContact O-CB 3.34Å; F302-T363 HydrophobicContact CB-CG2 4.3Å; F302-T363 PolarHBondContact N-O 3.46Å; F302-T363 PolarHBondContact O-N 3.28Å; F302-T363 VanDerWaalsContact O-O 3.11Å; F302-F365 AromaticContact CD2-CD2 3.59Å; F302-F365 HydrophobicContact CD2-CD2 3.59Å; F302-F365 AromaticContact CD2-CE2 3.9Å; F302-F365 HydrophobicContact CD2-CE2 3.9Å; F302-F365 AromaticContact CE2-CD2 3.76Å; F302-F365 HydrophobicContact CE2-CD2 3.76Å; F302-F365 HydrophobicContact CE2-CE2 4.36Å; F302-M397 HydrophobicContact CB-CB 4.32Å; F302-M397 HydrophobicContact CB-CG 4.06Å; F302-M397 HydrophobicContact CB-SD 3.57Å; F302-M397 VanDerWaalsContact CB-SD 3.57Å; F302-M397 HydrophobicContact CD1-CB 3.62Å; F302-M397 HydrophobicContact CD1-CG 3.97Å; F302-M397 HydrophobicContact CD2-CB 4.05Å; F302-M397 HydrophobicContact CE1-CB 3.79Å; F302-M397 HydrophobicContact CE2-CB 4.21Å; F302-M397 HydrophobicContact CG-CB 3.74Å; F302-M397 HydrophobicContact CG-CG 4.01Å; F302-M397 HydrophobicContact CG-SD 4.04Å; F302-M397 HydrophobicContact CZ-CB 4.09Å; F302-C399 HydrophobicContact CZ-CB 4.27Å
303T94.8Very high95.6Very high0 Ų041.1 Ų41.10%020%0.201CC..EExtended strand (participates in β ladder)trans-109.2150163.959.10000109.4M159 L161 Y267 T286 S287 L289 F301 S361 C362M159-T303 HydrophobicContact SD-CG2 3.97Å; L161-T303 HydrophobicContact CD2-CG2 3.99Å; Y267-T303 WeakPolarHBondContact CE1-OG1 3.33Å; T286-T303 CarbonylContact C-O 3.56Å; T286-T303 VanDerWaalsContact CA-O 3.31Å; T286-T303 WeakPolarHBondContact CA-O 3.29Å; S287-T303 WeakPolarHBondContact CB-OG1 3.04Å; S287-T303 PolarHBondContact N-O 2.79Å; S287-T303 PolarHBondContact O-N 3.31Å; L289-T303 HydrophobicContact CD1-CG2 3.66Å; L289-T303 HydrophobicContact CD2-CG2 3.92Å; L289-T303 HydrophobicContact CG-CG2 4.45Å; F301-T303 HydrophobicContact CD1-CG2 4.47Å; F301-T303 HydrophobicContact CE1-CG2 3.92Å; T303-S361 CarbonylContact C-O 3.52Å; T303-S361 VanDerWaalsContact CA-O 3.31Å; T303-S361 WeakPolarHBondContact CA-O 3.47Å; T303-C362 HydrophobicContact CG2-CB 4.18Å
304Y94.6Very high95.6Very high18 Ų1841 Ų417%0.07120%0.201CC..EExtended strand (participates in β ladder)trans-133.3139172.754.1-92.8000109.4S285 I306 W327 Y359 A360 S361 T363 M372 F395S285-Y304 CarbonylContact O-C 3.46Å; S285-Y304 VanDerWaalsContact O-CA 3.25Å; S285-Y304 WeakPolarHBondContact O-CA 3.42Å; Y304-I306 HydrophobicContact CD2-CD1 3.65Å; Y304-I306 HydrophobicContact CD2-CG1 3.98Å; Y304-I306 HydrophobicContact CE2-CD1 3.8Å; Y304-W327 HydrophobicContact CE2-CZ2 4.48Å; Y304-Y359 HydrophobicContact CE2-CE2 4.48Å; Y304-A360 CarbonylContact O-C 3.59Å; Y304-A360 VanDerWaalsContact O-CA 3.29Å; Y304-A360 WeakPolarHBondContact O-CA 3.42Å; Y304-S361 VanDerWaalsContact CZ-CB 3.47Å; Y304-S361 PolarHBondContact N-O 3.23Å; Y304-S361 PolarHBondContact O-N 2.93Å; Y304-S361 WeakPolarHBondContact OH-CB 3.17Å; Y304-S361 PolarHBondContact OH-OG 3.04Å; Y304-T363 HydrophobicContact CD1-CG2 4.43Å; Y304-T363 HydrophobicContact CE1-CG2 4.27Å; Y304-M372 HydrophobicContact CE1-CE 4.34Å; Y304-M372 HydrophobicContact CE1-SD 4.33Å; Y304-F395 HydrophobicContact CG-CE2 4.5Å; Y304-F395 HydrophobicContact CG-CZ 4.46Å
305R94.1Very high95.6Very high34 Ų3443.6 Ų43.613%0.12822%0.219CC..EExtended strand (participates in β ladder)trans-110.1124173.9-174.4-174.366.5159.4-2.4108.2P258 Y267 V284 S285 Y359P258-R305 VanDerWaalsContact CG-CZ 3.49Å; P258-R305 VanDerWaalsContact CG-NH1 3.26Å; Y267-R305 HydrophobicContact CD1-CB 3.95Å; Y267-R305 HydrophobicContact CD2-CB 4.26Å; Y267-R305 HydrophobicContact CE1-CB 3.86Å; Y267-R305 HydrophobicContact CE2-CB 4.17Å; Y267-R305 HydrophobicContact CG-CB 4.16Å; V284-R305 WeakPolarHBondContact CA-O 3.49Å; S285-R305 PolarHBondContact N-O 3.35Å; S285-R305 PolarHBondContact O-N 3.39Å; R305-Y359 CarbonylContact C-O 3.48Å; R305-Y359 WeakPolarHBondContact CA-O 3.37Å
306I96Very high95.6Very high0 Ų048.2 Ų48.20%025%0.249CC..EExtended strand (participates in β ladder)trans-111.4133.7179.9-64.1169.4000108.8V282 S283 V284 Y304 I308 W327 E358 Y359 Y376V282-I306 HydrophobicContact CG1-CG2 3.74Å; S283-I306 WeakPolarHBondContact O-CA 3.47Å; V284-I306 HydrophobicContact CG1-CG1 4.1Å; V284-I306 HydrophobicContact CG2-CG1 4.11Å; Y304-I306 HydrophobicContact CD2-CD1 3.65Å; Y304-I306 HydrophobicContact CD2-CG1 3.98Å; Y304-I306 HydrophobicContact CE2-CD1 3.8Å; I306-I308 HydrophobicContact CG2-CG1 4.04Å; I306-W327 HydrophobicContact CD1-CH2 3.52Å; I306-W327 HydrophobicContact CD1-CZ2 3.43Å; I306-W327 VanDerWaalsContact CD1-CZ2 3.43Å; I306-E358 VanDerWaalsContact O-CA 3.32Å; I306-E358 WeakPolarHBondContact O-CA 3.47Å; I306-Y359 HydrophobicContact CB-CD1 4.19Å; I306-Y359 HydrophobicContact CB-CE1 3.73Å; I306-Y359 HydrophobicContact CD1-CE1 4.26Å; I306-Y359 HydrophobicContact CD1-CE2 4.17Å; I306-Y359 VanDerWaalsContact CD1-OH 3.28Å; I306-Y359 WeakPolarHBondContact CD1-OH 3.48Å; I306-Y359 HydrophobicContact CG2-CE1 3.92Å; I306-Y359 PolarHBondContact N-O 3.08Å; I306-Y359 PolarHBondContact O-N 3.04Å; I306-Y376 WeakPolarHBondContact CD1-OH 3.47Å; I306-Y376 WeakPolarHBondContact CG2-OH 3.42Å
307R96.3Very high95.7Very high61 Ų6151.4 Ų51.423%0.2327%0.268CS..EExtended strand (participates in β ladder)trans-118.8116.1176.3178.9176.2-175-79.5-8.4108.7V282 S283 E309 V356 E358V282-R307 WeakPolarHBondContact CA-O 3.48Å; S283-R307 PolarHBondContact N-O 3.18Å; S283-R307 PolarHBondContact O-N 3.14Å; R307-E309 IonicContact CZ-OE2 2.9Å; R307-E309 IonicContact NH1-OE1 3.54Å; R307-E309 PolarHBondContact NH1-OE1 3.4Å; R307-E309 IonicContact NH1-OE2 2.83Å; R307-E309 PolarHBondContact NH1-OE2 2.88Å; R307-E309 IonicContact NH2-OE2 3.44Å; R307-E309 PolarHBondContact NH2-OE2 3.16Å; R307-V356 HydrophobicContact CG-CG1 3.77Å; R307-E358 HydrophobicContact CB-CG 3.92Å; R307-E358 WeakPolarHBondContact CD-OE1 3.25Å; R307-E358 HydrophobicContact CG-CG 3.76Å; R307-E358 IonicContact NE-OE1 3.69Å; R307-E358 PolarHBondContact NE-OE1 2.83Å
308I98.3Very high95.9Very high0 Ų049.9 Ų49.90%026%0.259CS..EExtended strand (participates in β ladder)trans-105.2122.9176.3-48.6177.3000106.9I280 S281 V282 I306 L322 M351 V356 H357 Y359 Y376 F378I280-I308 HydrophobicContact CG2-CG2 3.72Å; S281-I308 WeakPolarHBondContact O-CA 3.32Å; V282-I308 HydrophobicContact CG2-CG1 4.46Å; V282-I308 HydrophobicContact CG2-CG2 4.39Å; I306-I308 HydrophobicContact CG2-CG1 4.04Å; I308-L322 HydrophobicContact CD1-CD1 3.91Å; I308-M351 HydrophobicContact CB-CE 4.44Å; I308-M351 HydrophobicContact CG2-CE 4.06Å; I308-M351 HydrophobicContact CG2-SD 4.37Å; I308-M351 VanDerWaalsContact O-CE 3.28Å; I308-M351 WeakPolarHBondContact O-CE 3.47Å; I308-V356 CarbonylContact O-C 3.58Å; I308-V356 WeakPolarHBondContact O-CA 3.32Å; I308-H357 PolarHBondContact N-O 3.07Å; I308-H357 PolarHBondContact O-N 3.11Å; I308-Y359 HydrophobicContact CD1-CE1 4.42Å; I308-Y376 HydrophobicContact CD1-CD2 4.05Å; I308-Y376 HydrophobicContact CD1-CE2 3.61Å; I308-Y376 HydrophobicContact CG1-CE2 4.08Å; I308-F378 HydrophobicContact CG2-CZ 4.38Å
309E98.2Very high96.1Very high63 Ų6347.6 Ų47.629%0.29425%0.245SC..EExtended strand (participates in β ladder)trans-131.214517873.2-177.6146.500112.2I280 S281 R307 K355 V356I280-E309 CarbonylContact C-O 3.56Å; I280-E309 VanDerWaalsContact CA-O 3.29Å; I280-E309 WeakPolarHBondContact CA-O 3.36Å; S281-E309 PolarHBondContact N-O 3.32Å; S281-E309 PolarHBondContact O-N 2.88Å; R307-E309 IonicContact CZ-OE2 2.9Å; R307-E309 IonicContact NH1-OE1 3.54Å; R307-E309 PolarHBondContact NH1-OE1 3.4Å; R307-E309 IonicContact NH1-OE2 2.83Å; R307-E309 PolarHBondContact NH1-OE2 2.88Å; R307-E309 IonicContact NH2-OE2 3.44Å; R307-E309 PolarHBondContact NH2-OE2 3.16Å; E309-K355 WeakPolarHBondContact CA-O 3.21Å; E309-V356 HydrophobicContact CB-CG2 4.06Å
310M98.4Very high96.2Very high3 Ų343.2 Ų43.22%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-101.3135.7167.5-173.1177-77.600109.8D279 I280 R312 A314 A318 C320 M351 T352 P353 G354 K355D279-M310 HydrophobicContact CB-CG 4.22Å; D279-M310 CarbonylContact O-C 3.56Å; D279-M310 WeakPolarHBondContact O-CA 3.27Å; I280-M310 HydrophobicContact CD1-CB 3.65Å; I280-M310 HydrophobicContact CD1-CE 3.49Å; I280-M310 VanDerWaalsContact CD1-CE 3.49Å; I280-M310 HydrophobicContact CD1-CG 3.92Å; I280-M310 HydrophobicContact CG1-CE 4.44Å; M310-R312 PolarHBondContact O-N 3.16Å; M310-A314 HydrophobicContact CG-CB 3.92Å; M310-A314 HydrophobicContact SD-CB 4.07Å; M310-A318 VanDerWaalsContact CE-O 3.28Å; M310-A318 WeakPolarHBondContact CE-O 3.31Å; M310-C320 VanDerWaalsContact CE-SG 3.57Å; M310-M351 HydrophobicContact CB-CB 4.48Å; M310-M351 HydrophobicContact CB-CE 4.45Å; M310-M351 HydrophobicContact CE-CB 3.86Å; M310-T352 WeakPolarHBondContact CB-O 3.46Å; M310-P353 HydrophobicContact SD-CG 4.17Å; M310-P353 VanDerWaalsContact SD-N 3.36Å; M310-G354 VanDerWaalsContact O-CA 3.27Å; M310-G354 WeakPolarHBondContact O-CA 3.33Å; M310-G354 PolarHBondContact O-N 3.27Å; M310-K355 PolarHBondContact N-O 2.89Å
311S97.5Very high96.4Very high43 Ų4345.6 Ų45.630%0.30124%0.236SC..  trans-51.6140.5175-179.80000111.8D279 T313 A314 P353 G354D279-S311 PolarHBondContact O-N 3.36Å; S311-T313 PolarHBondContact O-N 3.44Å; S311-T313 PolarHBondContact OG-N 3.42Å; S311-T313 PolarHBondContact OG-OG1 2.94Å; S311-A314 VanDerWaalsContact O-CB 3.3Å; S311-A314 WeakPolarHBondContact O-CB 3.37Å; S311-A314 PolarHBondContact O-N 2.92Å; S311-P353 WeakPolarHBondContact O-CA 3.37Å; S311-G354 PolarHBondContact O-N 2.89Å
312R97.1Very high96.5Very high220 Ų22044.4 Ų44.483%0.8323%0.231SC*.THydrogen-bonded Turntrans-67.1-22.3174.4-68.3-178.5-175.4-177.43112.8M310 A314M310-R312 PolarHBondContact O-N 3.16Å; R312-A314 VanDerWaalsContact C-N 3.34Å
313T97.1Very high96.6Very high127 Ų12746.7 Ų46.778%0.77924%0.243SC*.THydrogen-bonded Turntrans-90.7-0.8179.962.10000112.8S311S311-T313 PolarHBondContact O-N 3.44Å; S311-T313 PolarHBondContact OG-N 3.42Å; S311-T313 PolarHBondContact OG-OG1 2.94Å
314A96.1Very high96.8Very high9 Ų948.4 Ų48.47%0.07426%0.255CS..SBendtrans-63.5148.417700000110.9D279 M310 S311 R312 A318 P353D279-A314 HydrophobicContact CB-CB 3.72Å; M310-A314 HydrophobicContact CG-CB 3.92Å; M310-A314 HydrophobicContact SD-CB 4.07Å; S311-A314 VanDerWaalsContact O-CB 3.3Å; S311-A314 WeakPolarHBondContact O-CB 3.37Å; S311-A314 PolarHBondContact O-N 2.92Å; R312-A314 VanDerWaalsContact C-N 3.34Å; A314-A318 HydrophobicContact CB-CB 4.45Å; A314-P353 HydrophobicContact CB-CB 4.27Å; A314-P353 HydrophobicContact CB-CG 4.11Å; A314-P353 VanDerWaalsContact O-CG 3.29Å; A314-P353 WeakPolarHBondContact O-CG 3.07Å
315S95.6Very high97Very high57 Ų5748.3 Ų48.340%0.39926%0.255SS..  trans-64143.8173179.70000110.4D317 A318S315-D317 PolarHBondContact O-N 2.75Å; S315-D317 PolarHBondContact OG-N 2.81Å; S315-A318 WeakPolarHBondContact O-CB 3.2Å; S315-A318 PolarHBondContact O-N 2.94Å
316P94.8Very high97.2Very high101 Ų10149.2 Ų49.266%0.65626%0.259SS*.G310 helixtrans-53.3-32.6169.4-26.936000113.6A318 A319P316-A318 PolarHBondContact O-N 3.4Å; P316-A319 VanDerWaalsContact O-CB 3.29Å; P316-A319 WeakPolarHBondContact O-CB 3.5Å; P316-A319 PolarHBondContact O-N 3.26Å; P316-A319 VanDerWaalsContact O-N 3.14Å
317D93.8Very high97.3Very high121 Ų12149.5 Ų49.565%0.64726%0.26SS*.G310 helixtrans-69.1-16.3177.4-60.4-31.9000112.8S315 A319S315-D317 PolarHBondContact O-N 2.75Å; S315-D317 PolarHBondContact OG-N 2.81Å; D317-A319 PolarHBondContact O-N 2.89Å
318A95.6Very high97.3Very high9 Ų951.3 Ų51.37%0.07427%0.267CS..G310 helixtrans-75.3-5.2174.300000112.7M310 A314 S315 P316 C320 R380M310-A318 VanDerWaalsContact CE-O 3.28Å; M310-A318 WeakPolarHBondContact CE-O 3.31Å; A314-A318 HydrophobicContact CB-CB 4.45Å; S315-A318 WeakPolarHBondContact O-CB 3.2Å; S315-A318 PolarHBondContact O-N 2.94Å; P316-A318 PolarHBondContact O-N 3.4Å; A318-C320 PolarHBondContact O-N 2.87Å; A318-R380 VanDerWaalsContact CA-NH1 3.31Å; A318-R380 PolarHBondContact O-NH1 2.89Å
319A97.9Very high97.2Very high11 Ų1151.7 Ų51.79%0.09127%0.268CS..  trans-52.7132177.500000111.4P316 D317 M351 T352 L381P316-A319 VanDerWaalsContact O-CB 3.29Å; P316-A319 WeakPolarHBondContact O-CB 3.5Å; P316-A319 PolarHBondContact O-N 3.26Å; P316-A319 VanDerWaalsContact O-N 3.14Å; D317-A319 PolarHBondContact O-N 2.89Å; A319-M351 VanDerWaalsContact CA-O 3.27Å; A319-M351 WeakPolarHBondContact CA-O 3.37Å; A319-T352 HydrophobicContact CB-CG2 4.13Å; A319-L381 HydrophobicContact CB-CB 4.48Å; A319-L381 HydrophobicContact CB-CD1 3.74Å; A319-L381 HydrophobicContact CB-CG 4.17Å; A319-L381 PolarHBondContact O-N 3.34Å
320C98.4Very high96.9Very high0 Ų049.6 Ų49.60%026%0.26CS..EExtended strand (participates in β ladder)trans-143.3157.3-172.560.70000111.3M310 A318 V350 M351 F378 H379 F388M310-C320 VanDerWaalsContact CE-SG 3.57Å; A318-C320 PolarHBondContact O-N 2.87Å; C320-V350 CarbonylContact O-C 3.54Å; C320-M351 PolarHBondContact N-O 3.5Å; C320-M351 PolarHBondContact O-N 3.37Å; C320-F378 HydrophobicContact CB-CB 4.37Å; C320-F378 HydrophobicContact CB-CD1 4Å; C320-F378 VanDerWaalsContact SG-CD1 3.53Å; C320-H379 CarbonylContact C-O 3.59Å; C320-H379 WeakPolarHBondContact CA-O 3.47Å; C320-H379 VanDerWaalsContact CB-O 3.23Å; C320-H379 WeakPolarHBondContact CB-O 3.24Å; C320-F388 HydrophobicContact CB-CE1 3.97Å; C320-F388 HydrophobicContact CB-CZ 3.87Å
321Q98.6Very high96.5Very high53 Ų5350.6 Ų50.625%0.24827%0.266CS..EExtended strand (participates in β ladder)trans-120.2138176.6-178.8172.323.600110.6F348 V350 F378 H379 L381Q321-F348 HydrophobicContact CG-CB 4.49Å; Q321-F348 PolarHBondContact NE2-O 2.81Å; Q321-V350 HydrophobicContact CB-CG2 4.13Å; Q321-V350 HydrophobicContact CG-CG2 3.94Å; Q321-F378 VanDerWaalsContact O-CA 3.23Å; Q321-F378 WeakPolarHBondContact O-CA 3.35Å; Q321-F378 VanDerWaalsContact O-CD1 3.27Å; Q321-F378 WeakPolarHBondContact O-CD1 3.32Å; Q321-H379 PolarHBondContact N-O 3.41Å; Q321-H379 PolarHBondContact O-N 3.02Å; Q321-H379 VanDerWaalsContact O-N 3.08Å; Q321-L381 HydrophobicContact CB-CD2 3.95Å
322L98.6Very high96Very high0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-73125.3175.2-172.4156000109.3I308 V344 F348 P349 Y376 F378I308-L322 HydrophobicContact CD1-CD1 3.91Å; L322-V344 HydrophobicContact CD1-CG1 3.79Å; L322-V344 HydrophobicContact CD1-CG2 4.15Å; L322-V344 HydrophobicContact CD2-CG1 4.09Å; L322-V344 HydrophobicContact CD2-CG2 4.5Å; L322-F348 WeakPolarHBondContact O-CD1 3.42Å; L322-P349 HydrophobicContact CB-CG 3.87Å; L322-P349 HydrophobicContact CD1-CG 4.1Å; L322-P349 PolarHBondContact N-O 2.98Å; L322-Y376 HydrophobicContact CD1-CD1 3.73Å; L322-Y376 HydrophobicContact CD1-CD2 4.44Å; L322-Y376 HydrophobicContact CD1-CE1 4.21Å; L322-Y376 HydrophobicContact CD1-CG 3.86Å; L322-Y376 HydrophobicContact CG-CD1 4.44Å; L322-F378 HydrophobicContact CB-CD1 4.11Å; L322-F378 HydrophobicContact CB-CE1 3.56Å; L322-F378 HydrophobicContact CB-CE2 4.19Å; L322-F378 HydrophobicContact CB-CZ 3.61Å; L322-F378 HydrophobicContact CD1-CE2 4.1Å; L322-F378 HydrophobicContact CD1-CZ 3.84Å; L322-F378 HydrophobicContact CG-CE1 4.4Å; L322-F378 HydrophobicContact CG-CE2 4.15Å; L322-F378 HydrophobicContact CG-CZ 3.98Å; L322-F378 VanDerWaalsContact N-CD1 3.29Å; L322-F378 VanDerWaalsContact N-CE1 3.33Å
323D98Very high95.5Very high50 Ų5046.5 Ų46.527%0.26726%0.264SS..EExtended strand (participates in β ladder)trans-100.4-47178.4-66.8-40.2000112.4P342 G343 F348 T377 H379D323-P342 WeakPolarHBondContact O-CA 3.37Å; D323-G343 PolarHBondContact O-N 3.11Å; D323-F348 WeakPolarHBondContact O-CE1 3.29Å; D323-T377 PolarHBondContact N-O 2.94Å; D323-H379 IonicContact OD1-CE1 3.31Å; D323-H379 PolarHBondContact OD1-CE1 3.46Å; D323-H379 IonicContact OD1-ND1 3.97Å; D323-H379 PolarHBondContact OD1-ND1 3.28Å; D323-H379 IonicContact OD2-CE1 2.61Å; D323-H379 IonicContact OD2-CG 3.4Å; D323-H379 PolarHBondContact OD2-N 2.92Å; D323-H379 IonicContact OD2-ND1 3.67Å; D323-H379 PolarHBondContact OD2-ND1 2.87Å
324S98.3Very high95Very high37 Ų3742.9 Ų42.926%0.25925%0.251SS..EExtended strand (participates in β ladder)trans-151.4166.2-173.769.70000112.1G341 Y376 T377S324-G341 VanDerWaalsContact CA-O 3.31Å; S324-G341 WeakPolarHBondContact CA-O 3.49Å; S324-G341 WeakPolarHBondContact CB-O 2.97Å; S324-Y376 WeakPolarHBondContact O-CA 3.31Å; S324-T377 PolarHBondContact N-O 3.24Å; S324-T377 PolarHBondContact O-N 3.09Å; S324-T377 WeakPolarHBondContact OG-CB 3.42Å; S324-T377 PolarHBondContact OG-OG1 3.35Å
325R98.2Very high94.7Very high16 Ų1647.1 Ų47.16%0.0627%0.273CS..EExtended strand (participates in β ladder)trans-125.1148.5174.570.4-165.9174.4-66.6-15.8109.9A340 G341 P342 G343 Y376 F451 T452R325-A340 WeakPolarHBondContact O-CA 3.33Å; R325-G341 PolarHBondContact N-O 3.4Å; R325-G341 VanDerWaalsContact NH1-C 3.34Å; R325-G341 PolarHBondContact NH1-O 2.91Å; R325-G341 PolarHBondContact O-N 2.86Å; R325-G341 VanDerWaalsContact O-N 3.11Å; R325-P342 VanDerWaalsContact NH1-C 3.32Å; R325-P342 PolarHBondContact NH1-O 3.16Å; R325-G343 WeakPolarHBondContact CD-O 3.06Å; R325-G343 PolarHBondContact NH1-O 3.48Å; R325-Y376 HydrophobicContact CB-CD1 3.67Å; R325-Y376 HydrophobicContact CB-CE1 3.79Å; R325-F451 PolarHBondContact NH2-O 3.4Å; R325-T452 PolarHBondContact NH2-OXT 2.94Å
326Y98.4Very high94.6Very high53 Ų5348.2 Ų48.221%0.20828%0.277CS..EExtended strand (participates in β ladder)trans-129130.9168.1170.3-92.7000108.7R328 E338 V339 A340 G374 H375Y326-R328 HydrophobicContact CE1-CB 4.12Å; Y326-E338 HydrophobicContact CE2-CB 4.1Å; Y326-E338 HydrophobicContact CE2-CG 4.26Å; Y326-E338 WeakPolarHBondContact OH-CG 3.24Å; Y326-E338 PolarHBondContact OH-OE1 3.47Å; Y326-V339 CarbonylContact C-O 3.55Å; Y326-V339 WeakPolarHBondContact CA-O 3.39Å; Y326-A340 HydrophobicContact CD2-CB 4.37Å; Y326-G374 WeakPolarHBondContact O-CA 3.44Å; Y326-H375 AromaticContact CD1-CE1 3.41Å; Y326-H375 VanDerWaalsContact CD1-CE1 3.41Å; Y326-H375 WeakPolarHBondContact CD1-CE1 3.43Å; Y326-H375 AromaticContact CD1-ND1 3.62Å; Y326-H375 AromaticContact CG-CE1 3.68Å; Y326-H375 PolarHBondContact N-O 3.07Å; Y326-H375 PolarHBondContact O-N 2.64Å
327W97.9Very high94.6Very high6 Ų647.5 Ų47.52%0.02327%0.265CS..EExtended strand (participates in β ladder)trans-122.4133.7175.9-70.9106000110Y304 I306 I329 E338 V339 M372 I392 F395Y304-W327 HydrophobicContact CE2-CZ2 4.48Å; I306-W327 HydrophobicContact CD1-CH2 3.52Å; I306-W327 HydrophobicContact CD1-CZ2 3.43Å; I306-W327 VanDerWaalsContact CD1-CZ2 3.43Å; W327-I329 HydrophobicContact CB-CG1 4.4Å; W327-E338 CarbonylContact O-C 3.48Å; W327-E338 VanDerWaalsContact O-CA 3.31Å; W327-E338 WeakPolarHBondContact O-CA 3.48Å; W327-V339 HydrophobicContact CB-CB 4.23Å; W327-V339 PolarHBondContact N-O 3.23Å; W327-V339 PolarHBondContact O-N 2.99Å; W327-M372 HydrophobicContact CB-CE 4.37Å; W327-M372 HydrophobicContact CD2-CE 3.65Å; W327-M372 HydrophobicContact CE3-CB 4.18Å; W327-M372 HydrophobicContact CE3-CE 3.56Å; W327-M372 HydrophobicContact CG-CE 4.04Å; W327-M372 HydrophobicContact CH2-CE 4.47Å; W327-M372 HydrophobicContact CZ3-CB 4.19Å; W327-M372 HydrophobicContact CZ3-CE 4Å; W327-I392 HydrophobicContact CD2-CD1 4.41Å; W327-I392 HydrophobicContact CE3-CD1 4.31Å; W327-I392 HydrophobicContact CH2-CB 4.44Å; W327-I392 HydrophobicContact CH2-CD1 3.66Å; W327-I392 HydrophobicContact CH2-CG2 3.56Å; W327-I392 HydrophobicContact CZ2-CD1 3.71Å; W327-I392 HydrophobicContact CZ3-CB 4.34Å; W327-I392 HydrophobicContact CZ3-CD1 3.94Å; W327-I392 HydrophobicContact CZ3-CG2 3.64Å; W327-F395 AromaticContact CH2-CE1 3.72Å; W327-F395 HydrophobicContact CH2-CE1 3.72Å; W327-F395 AromaticContact CH2-CZ 3.98Å; W327-F395 HydrophobicContact CH2-CZ 3.98Å; W327-F395 AromaticContact CZ3-CE1 3.52Å; W327-F395 HydrophobicContact CZ3-CE1 3.52Å; W327-F395 AromaticContact CZ3-CZ 3.87Å; W327-F395 HydrophobicContact CZ3-CZ 3.87Å
328R97.3Very high94.7Very high99 Ų9947.7 Ų47.737%0.37426%0.262SS..EExtended strand (participates in β ladder)trans-108.5114.8163.1-175.1170.572.4-174.34.5108.3Y326 V336 E373Y326-R328 HydrophobicContact CE1-CB 4.12Å; R328-V336 HydrophobicContact CG-CG1 3.64Å; R328-E373 HydrophobicContact CB-CG 4.26Å; R328-E373 IonicContact CZ-OE1 3.3Å; R328-E373 VanDerWaalsContact CZ-OE1 3.24Å; R328-E373 PolarHBondContact N-O 3.34Å; R328-E373 IonicContact NE-OE1 3.67Å; R328-E373 PolarHBondContact NE-OE1 3.35Å; R328-E373 IonicContact NH2-OE1 3.67Å; R328-E373 PolarHBondContact NH2-OE1 2.89Å; R328-E373 IonicContact NH2-OE2 3.71Å; R328-E373 PolarHBondContact O-N 2.91Å
329I95.6Very high94.6Very high7 Ų748.2 Ų48.24%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-106.5118.7-179.1-51.5-174.2000106.6W327 V336 E337 V339 F365 M372W327-I329 HydrophobicContact CB-CG1 4.4Å; I329-V336 CarbonylContact O-C 3.56Å; I329-V336 WeakPolarHBondContact O-CA 3.4Å; I329-E337 HydrophobicContact CB-CB 4.33Å; I329-E337 WeakPolarHBondContact CB-O 3.2Å; I329-E337 PolarHBondContact N-O 2.65Å; I329-E337 PolarHBondContact O-N 2.9Å; I329-V339 HydrophobicContact CD1-CG2 4.14Å; I329-F365 HydrophobicContact CG2-CE1 3.51Å; I329-F365 HydrophobicContact CG2-CZ 4.12Å; I329-M372 HydrophobicContact CB-CG 4.28Å; I329-M372 HydrophobicContact CD1-CE 3.99Å; I329-M372 HydrophobicContact CD1-SD 4.2Å; I329-M372 HydrophobicContact CG1-CE 4.02Å; I329-M372 HydrophobicContact CG1-CG 3.94Å; I329-M372 HydrophobicContact CG1-SD 4.24Å; I329-M372 HydrophobicContact CG2-CG 4.02Å
330T92.8Very high94.5Very high20 Ų2051.3 Ų51.312%0.12329%0.29CS..EExtended strand (participates in β ladder)trans-113.6129-179.7-52.40000109.1V336 F371T330-V336 HydrophobicContact CG2-CG2 4.18Å; T330-F371 HydrophobicContact CG2-CE1 3.78Å; T330-F371 HydrophobicContact CG2-CE2 4.34Å; T330-F371 HydrophobicContact CG2-CZ 3.56Å; T330-F371 PolarHBondContact N-O 2.95Å; T330-F371 PolarHBondContact O-N 3.45Å; T330-F371 WeakPolarHBondContact OG1-CE2 3.27Å
331T90.3Very high94.4Very high23 Ų2351.9 Ų51.914%0.14130%0.296CS..  trans-91157.7176.148.90000111.5D333 G334 N335 E370T331-D333 VanDerWaalsContact C-N 3.27Å; T331-D333 VanDerWaalsContact CB-OD1 3.24Å; T331-D333 WeakPolarHBondContact CB-OD1 3.21Å; T331-D333 PolarHBondContact O-N 3.4Å; T331-D333 PolarHBondContact OG1-OD1 2.79Å; T331-G334 WeakPolarHBondContact O-CA 3.36Å; T331-G334 PolarHBondContact O-N 3.32Å; T331-N335 PolarHBondContact N-O 2.99Å; T331-N335 VanDerWaalsContact OG1-CA 3.3Å; T331-N335 WeakPolarHBondContact OG1-CA 3.09Å; T331-N335 WeakPolarHBondContact OG1-CB 3.18Å; T331-N335 PolarHBondContact OG1-N 3.48Å; T331-N335 VanDerWaalsContact OG1-N 3.11Å; T331-N335 PolarHBondContact OG1-O 2.98Å; T331-E370 WeakPolarHBondContact CA-OE2 3.44Å; T331-E370 HydrophobicContact CG2-CG 4.38Å
332S85.8Confident94.3Very high79 Ų7953 Ų5355%0.55231%0.307SS*.THydrogen-bonded Turntrans-73.9-20.7-172.147.40000112.7T367 E370S332-T367 WeakPolarHBondContact OG-CB 3.4Å; S332-E370 VanDerWaalsContact CB-OE1 3.26Å; S332-E370 WeakPolarHBondContact CB-OE1 3.36Å; S332-E370 PolarHBondContact N-OE1 3.39Å; S332-E370 PolarHBondContact N-OE2 3.47Å; S332-E370 PolarHBondContact OG-OE1 3.5Å
333D86.7Confident94.2Very high98 Ų9853 Ų5352%0.52431%0.307SS..THydrogen-bonded Turntrans-81.81.1167.162.8-3.7000112.9T331 N335T331-D333 VanDerWaalsContact C-N 3.27Å; T331-D333 VanDerWaalsContact CB-OD1 3.24Å; T331-D333 WeakPolarHBondContact CB-OD1 3.21Å; T331-D333 PolarHBondContact O-N 3.4Å; T331-D333 PolarHBondContact OG1-OD1 2.79Å; D333-N335 PolarHBondContact OD1-N 2.73Å; D333-N335 PolarHBondContact OD1-ND2 3.45Å; D333-N335 PolarHBondContact OD2-ND2 2.9Å
334G86.2Confident94.1Very high51 Ų5150.6 Ų50.653%0.52629%0.294SS..SBendtrans91.52.2174.200000114.8T331T331-G334 WeakPolarHBondContact O-CA 3.36Å; T331-G334 PolarHBondContact O-N 3.32Å
335N90.4Very high93.8Very high98 Ų9850.8 Ų50.852%0.52429%0.294SS..  trans-71.3140.6175.8-54.1-63.4000110.6T331 D333T331-N335 PolarHBondContact N-O 2.99Å; T331-N335 VanDerWaalsContact OG1-CA 3.3Å; T331-N335 WeakPolarHBondContact OG1-CA 3.09Å; T331-N335 WeakPolarHBondContact OG1-CB 3.18Å; T331-N335 PolarHBondContact OG1-N 3.48Å; T331-N335 VanDerWaalsContact OG1-N 3.11Å; T331-N335 PolarHBondContact OG1-O 2.98Å; D333-N335 PolarHBondContact OD1-N 2.73Å; D333-N335 PolarHBondContact OD1-ND2 3.45Å; D333-N335 PolarHBondContact OD2-ND2 2.9Å
336V93.9Very high93.5Very high81 Ų8153.3 Ų53.349%0.49133%0.325SS..EExtended strand (participates in β ladder)trans-116.9128.5178.8179.80000109.1R328 I329 T330 E338R328-V336 HydrophobicContact CG-CG1 3.64Å; I329-V336 CarbonylContact O-C 3.56Å; I329-V336 WeakPolarHBondContact O-CA 3.4Å; T330-V336 HydrophobicContact CG2-CG2 4.18Å; V336-E338 HydrophobicContact CG1-CG 4.33Å
337E94.1Very high93.4Very high86 Ų8655.9 Ų55.940%0.40234%0.339SS..EExtended strand (participates in β ladder)trans-115.1130.3170.7-171.6-175169.100109.5I329 V339 K450I329-E337 HydrophobicContact CB-CB 4.33Å; I329-E337 WeakPolarHBondContact CB-O 3.2Å; I329-E337 PolarHBondContact N-O 2.65Å; I329-E337 PolarHBondContact O-N 2.9Å; E337-V339 HydrophobicContact CG-CG2 4.44Å; E337-K450 IonicContact OE1-NZ 2.66Å; E337-K450 PolarHBondContact OE1-NZ 3.48Å; E337-K450 IonicContact OE2-NZ 3.75Å; E337-K450 PolarHBondContact OE2-NZ 3.35Å
338E95.4Very high93.4Very high125 Ų12560.2 Ų60.258%0.58436%0.358SS*.EExtended strand (participates in β ladder)trans-108.1130177.4-64-177.3166.400109.9Y326 W327 V336Y326-E338 HydrophobicContact CE2-CB 4.1Å; Y326-E338 HydrophobicContact CE2-CG 4.26Å; Y326-E338 WeakPolarHBondContact OH-CG 3.24Å; Y326-E338 PolarHBondContact OH-OE1 3.47Å; W327-E338 CarbonylContact O-C 3.48Å; W327-E338 VanDerWaalsContact O-CA 3.31Å; W327-E338 WeakPolarHBondContact O-CA 3.48Å; V336-E338 HydrophobicContact CG1-CG 4.33Å
339V95.1Very high93.4Very high20 Ų2055.9 Ų55.912%0.12134%0.343CS..EExtended strand (participates in β ladder)trans-124.7117.8179.2-176.60000108.6Y326 W327 I329 E337 K450Y326-V339 CarbonylContact C-O 3.55Å; Y326-V339 WeakPolarHBondContact CA-O 3.39Å; W327-V339 HydrophobicContact CB-CB 4.23Å; W327-V339 PolarHBondContact N-O 3.23Å; W327-V339 PolarHBondContact O-N 2.99Å; I329-V339 HydrophobicContact CD1-CG2 4.14Å; E337-V339 HydrophobicContact CG-CG2 4.44Å; V339-K450 HydrophobicContact CG2-CD 4.24Å
340A95.7Very high93.5Very high75 Ų7557.6 Ų57.662%0.6235%0.354SS*.EExtended strand (participates in β ladder)trans-122.1141.6174.700000110.2R325 Y326R325-A340 WeakPolarHBondContact O-CA 3.33Å; Y326-A340 HydrophobicContact CD2-CB 4.37Å
341G95.3Very high93.8Very high12 Ų1256.7 Ų56.712%0.12435%0.348CS..EExtended strand (participates in β ladder)trans-173164.2178.900000113.9S324 R325S324-G341 VanDerWaalsContact CA-O 3.31Å; S324-G341 WeakPolarHBondContact CA-O 3.49Å; S324-G341 WeakPolarHBondContact CB-O 2.97Å; R325-G341 PolarHBondContact N-O 3.4Å; R325-G341 VanDerWaalsContact NH1-C 3.34Å; R325-G341 PolarHBondContact NH1-O 2.91Å; R325-G341 PolarHBondContact O-N 2.86Å; R325-G341 VanDerWaalsContact O-N 3.11Å
342P97.5Very high94.2Very high76 Ų7658.3 Ų58.349%0.49436%0.358SS..EExtended strand (participates in β ladder)trans-73.6140.8-179.531.2-37.6000112.4D323 R325 F348 T452D323-P342 WeakPolarHBondContact O-CA 3.37Å; R325-P342 VanDerWaalsContact NH1-C 3.32Å; R325-P342 PolarHBondContact NH1-O 3.16Å; P342-F348 HydrophobicContact CB-CE1 3.91Å; P342-F348 HydrophobicContact CB-CZ 3.87Å; P342-T452 WeakPolarHBondContact CD-OXT 3.47Å
343G96.3Very high94.7Very high0 Ų056.6 Ų56.60%035%0.345CS..SBendtrans65.1-160.7174.700000114.6D323 R325 E347D323-G343 PolarHBondContact O-N 3.11Å; R325-G343 WeakPolarHBondContact CD-O 3.06Å; R325-G343 PolarHBondContact NH1-O 3.48Å; G343-E347 CarbonylContact C-O 3.59Å; G343-E347 WeakPolarHBondContact CA-O 3.29Å
344V95.5Very high95.3Very high0 Ų053.3 Ų53.30%033%0.334CS..BIsolated β-bridgetrans-136.9125.7169.9-71.90000108.2L322 G346 E347 P349 Y359 Y376L322-V344 HydrophobicContact CD1-CG1 3.79Å; L322-V344 HydrophobicContact CD1-CG2 4.15Å; L322-V344 HydrophobicContact CD2-CG1 4.09Å; L322-V344 HydrophobicContact CD2-CG2 4.5Å; V344-G346 PolarHBondContact O-N 2.89Å; V344-E347 PolarHBondContact N-O 2.75Å; V344-E347 WeakPolarHBondContact O-CA 3.01Å; V344-E347 PolarHBondContact O-N 3.03Å; V344-P349 HydrophobicContact CG2-CG 3.99Å; V344-Y359 HydrophobicContact CB-CD1 4.16Å; V344-Y359 HydrophobicContact CB-CE1 3.8Å; V344-Y359 HydrophobicContact CB-CE2 4.39Å; V344-Y359 HydrophobicContact CG1-CE1 3.81Å; V344-Y359 HydrophobicContact CG2-CD1 4.12Å; V344-Y359 HydrophobicContact CG2-CE1 4.11Å; V344-Y376 HydrophobicContact CG1-CD1 4.12Å; V344-Y376 HydrophobicContact CG1-CE1 3.51Å
345V91.4Very high95.8Very high42 Ų4254.9 Ų54.926%0.25533%0.327SS..THydrogen-bonded Turntrans48.431.8-178-61.10000114.9Y359V345-Y359 HydrophobicContact CG1-CD2 3.61Å; V345-Y359 HydrophobicContact CG1-CE2 4.16Å; V345-Y359 HydrophobicContact CG1-CG 4.38Å; V345-Y359 HydrophobicContact CG2-CD2 4.27Å; V345-Y359 HydrophobicContact CG2-CG 4.23Å
346G92.4Very high96.2Very high68 Ų6853 Ų5370%0.70132%0.319SS*.THydrogen-bonded Turntrans85.13.3-177.600000115.1V344V344-G346 PolarHBondContact O-N 2.89Å
347E95.3Very high96.3Very high108 Ų10850.3 Ų50.351%0.50530%0.3SS..BIsolated β-bridgetrans-110.9153.5179.5-59.2-171.8-172.800112.5G343 V344 P349 H357G343-E347 CarbonylContact C-O 3.59Å; G343-E347 WeakPolarHBondContact CA-O 3.29Å; V344-E347 PolarHBondContact N-O 2.75Å; V344-E347 WeakPolarHBondContact O-CA 3.01Å; V344-E347 PolarHBondContact O-N 3.03Å; E347-P349 WeakPolarHBondContact O-CD 3.39Å; E347-H357 IonicContact OE2-CE1 3.99Å; E347-H357 PolarHBondContact OE2-CE1 3.3Å; E347-H357 VanDerWaalsContact OE2-CE1 3.28Å
348F98.1Very high96.3Very high96 Ų9650.4 Ų50.442%0.42130%0.301SS..  trans-123.373.5176.8-61.7-96.6000109.2Q321 L322 D323 P342 V350Q321-F348 HydrophobicContact CG-CB 4.49Å; Q321-F348 PolarHBondContact NE2-O 2.81Å; L322-F348 WeakPolarHBondContact O-CD1 3.42Å; D323-F348 WeakPolarHBondContact O-CE1 3.29Å; P342-F348 HydrophobicContact CB-CE1 3.91Å; P342-F348 HydrophobicContact CB-CZ 3.87Å; F348-V350 PolarHBondContact O-N 3.18Å
349P97.6Very high96.2Very high9 Ų945.3 Ų45.36%0.05828%0.276CS..PPolyproline II helixtrans-63.2130.2-170.625.1-35.8000112L322 V344 E347 H357L322-P349 HydrophobicContact CB-CG 3.87Å; L322-P349 HydrophobicContact CD1-CG 4.1Å; L322-P349 PolarHBondContact N-O 2.98Å; V344-P349 HydrophobicContact CG2-CG 3.99Å; E347-P349 WeakPolarHBondContact O-CD 3.39Å; P349-H357 HydrophobicContact CB-CB 4.16Å
350V98.3Very high96.1Very high43 Ų4345.8 Ų45.826%0.26128%0.282SS..EExtended strand (participates in β ladder)trans-84.9125.9168.3179.10000108.8C320 Q321 F348 T352 K355 L381C320-V350 CarbonylContact O-C 3.54Å; Q321-V350 HydrophobicContact CB-CG2 4.13Å; Q321-V350 HydrophobicContact CG-CG2 3.94Å; F348-V350 PolarHBondContact O-N 3.18Å; V350-T352 HydrophobicContact CG1-CG2 4.41Å; V350-K355 WeakPolarHBondContact O-CD 3.24Å; V350-K355 WeakPolarHBondContact O-CE 3.24Å; V350-K355 PolarHBondContact O-NZ 3.32Å; V350-L381 HydrophobicContact CG1-CD1 3.62Å; V350-L381 HydrophobicContact CG1-CD2 4.35Å; V350-L381 HydrophobicContact CG1-CG 4.41Å
351M98.4Very high96Very high0 Ų042.5 Ų42.50%026%0.255CS..EExtended strand (participates in β ladder)trans-102.8129177.5-58.2-55.8-66.200110.3I280 I308 M310 A319 C320 K355 H357 F378I280-M351 HydrophobicContact CD1-CB 4Å; I280-M351 HydrophobicContact CD1-CG 4.31Å; I308-M351 HydrophobicContact CB-CE 4.44Å; I308-M351 HydrophobicContact CG2-CE 4.06Å; I308-M351 HydrophobicContact CG2-SD 4.37Å; I308-M351 VanDerWaalsContact O-CE 3.28Å; I308-M351 WeakPolarHBondContact O-CE 3.47Å; M310-M351 HydrophobicContact CB-CB 4.48Å; M310-M351 HydrophobicContact CB-CE 4.45Å; M310-M351 HydrophobicContact CE-CB 3.86Å; A319-M351 VanDerWaalsContact CA-O 3.27Å; A319-M351 WeakPolarHBondContact CA-O 3.37Å; C320-M351 PolarHBondContact N-O 3.5Å; C320-M351 PolarHBondContact O-N 3.37Å; M351-K355 HydrophobicContact CE-CB 4.44Å; M351-K355 HydrophobicContact CE-CG 4.48Å; M351-K355 WeakPolarHBondContact CE-O 3.45Å; M351-H357 HydrophobicContact SD-CB 3.95Å; M351-F378 HydrophobicContact CG-CE1 3.77Å; M351-F378 HydrophobicContact CG-CZ 4.26Å
352T98.2Very high95.9Very high58 Ų5842.5 Ų42.536%0.35625%0.253SS..  trans-129.4161.5176.555.90000108.6M310 A319 V350 G354 K355M310-T352 WeakPolarHBondContact CB-O 3.46Å; A319-T352 HydrophobicContact CB-CG2 4.13Å; V350-T352 HydrophobicContact CG1-CG2 4.41Å; T352-G354 PolarHBondContact O-N 2.84Å; T352-G354 VanDerWaalsContact O-N 3.17Å; T352-K355 WeakPolarHBondContact O-CB 3.43Å; T352-K355 PolarHBondContact O-N 3.07Å
353P98.2Very high95.8Very high43 Ų4339 Ų3928%0.27923%0.23SC..THydrogen-bonded Turntrans-49.8124.9-177.4-29.635.4000112.7M310 S311 A314 K355M310-P353 HydrophobicContact SD-CG 4.17Å; M310-P353 VanDerWaalsContact SD-N 3.36Å; S311-P353 WeakPolarHBondContact O-CA 3.37Å; A314-P353 HydrophobicContact CB-CB 4.27Å; A314-P353 HydrophobicContact CB-CG 4.11Å; A314-P353 VanDerWaalsContact O-CG 3.29Å; A314-P353 WeakPolarHBondContact O-CG 3.07Å; P353-K355 VanDerWaalsContact C-N 3.3Å; P353-K355 PolarHBondContact O-N 3.02Å
354G97.4Very high95.6Very high29 Ų2941 Ų4130%0.29924%0.242SC..THydrogen-bonded Turntrans79.5-3.3-178.100000116.6M310 S311 T352M310-G354 VanDerWaalsContact O-CA 3.27Å; M310-G354 WeakPolarHBondContact O-CA 3.33Å; M310-G354 PolarHBondContact O-N 3.27Å; S311-G354 PolarHBondContact O-N 2.89Å; T352-G354 PolarHBondContact O-N 2.84Å; T352-G354 VanDerWaalsContact O-N 3.17Å
355K97.8Very high95.6Very high84 Ų8441.4 Ų41.437%0.36524%0.244SC..  trans-73.5140.3177.5-175.1162.4172.4-177.60110.8E309 M310 V350 M351 T352 P353E309-K355 WeakPolarHBondContact CA-O 3.21Å; M310-K355 PolarHBondContact N-O 2.89Å; V350-K355 WeakPolarHBondContact O-CD 3.24Å; V350-K355 WeakPolarHBondContact O-CE 3.24Å; V350-K355 PolarHBondContact O-NZ 3.32Å; M351-K355 HydrophobicContact CE-CB 4.44Å; M351-K355 HydrophobicContact CE-CG 4.48Å; M351-K355 WeakPolarHBondContact CE-O 3.45Å; T352-K355 WeakPolarHBondContact O-CB 3.43Å; T352-K355 PolarHBondContact O-N 3.07Å; P353-K355 VanDerWaalsContact C-N 3.3Å; P353-K355 PolarHBondContact O-N 3.02Å
356V97.8Very high95.6Very high59 Ų5942.8 Ų42.836%0.35826%0.256SS..EExtended strand (participates in β ladder)trans-120.9131.2174.6-176.20000107.6R307 I308 E309 E358R307-V356 HydrophobicContact CG-CG1 3.77Å; I308-V356 CarbonylContact O-C 3.58Å; I308-V356 WeakPolarHBondContact O-CA 3.32Å; E309-V356 HydrophobicContact CB-CG2 4.06Å; V356-E358 HydrophobicContact CG1-CG 4.06Å
357H97.1Very high95.7Very high23 Ų2340.5 Ų40.511%0.10623%0.228CC..EExtended strand (participates in β ladder)trans-120.4127.9170.4178.476.5000108.6I308 E347 P349 M351I308-H357 PolarHBondContact N-O 3.07Å; I308-H357 PolarHBondContact O-N 3.11Å; E347-H357 IonicContact OE2-CE1 3.99Å; E347-H357 PolarHBondContact OE2-CE1 3.3Å; E347-H357 VanDerWaalsContact OE2-CE1 3.28Å; P349-H357 HydrophobicContact CB-CB 4.16Å; M351-H357 HydrophobicContact SD-CB 3.95Å
358E94.5Very high95.5Very high89 Ų8937.5 Ų37.542%0.41622%0.218SC..EExtended strand (participates in β ladder)trans-124.2136.3-179.9-69.3-176.1173.500109.7I306 R307 V356I306-E358 VanDerWaalsContact O-CA 3.32Å; I306-E358 WeakPolarHBondContact O-CA 3.47Å; R307-E358 HydrophobicContact CB-CG 3.92Å; R307-E358 WeakPolarHBondContact CD-OE1 3.25Å; R307-E358 HydrophobicContact CG-CG 3.76Å; R307-E358 IonicContact NE-OE1 3.69Å; R307-E358 PolarHBondContact NE-OE1 2.83Å; V356-E358 HydrophobicContact CG1-CG 4.06Å
359Y93.6Very high95.3Very high17 Ų1735.1 Ų35.17%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-142.3160.2171.776.1-89.9000110.7Y304 R305 I306 I308 V344 V345 Y376Y304-Y359 HydrophobicContact CE2-CE2 4.48Å; R305-Y359 CarbonylContact C-O 3.48Å; R305-Y359 WeakPolarHBondContact CA-O 3.37Å; I306-Y359 HydrophobicContact CB-CD1 4.19Å; I306-Y359 HydrophobicContact CB-CE1 3.73Å; I306-Y359 HydrophobicContact CD1-CE1 4.26Å; I306-Y359 HydrophobicContact CD1-CE2 4.17Å; I306-Y359 VanDerWaalsContact CD1-OH 3.28Å; I306-Y359 WeakPolarHBondContact CD1-OH 3.48Å; I306-Y359 HydrophobicContact CG2-CE1 3.92Å; I306-Y359 PolarHBondContact N-O 3.08Å; I306-Y359 PolarHBondContact O-N 3.04Å; I308-Y359 HydrophobicContact CD1-CE1 4.42Å; V344-Y359 HydrophobicContact CB-CD1 4.16Å; V344-Y359 HydrophobicContact CB-CE1 3.8Å; V344-Y359 HydrophobicContact CB-CE2 4.39Å; V344-Y359 HydrophobicContact CG1-CE1 3.81Å; V344-Y359 HydrophobicContact CG2-CD1 4.12Å; V344-Y359 HydrophobicContact CG2-CE1 4.11Å; V345-Y359 HydrophobicContact CG1-CD2 3.61Å; V345-Y359 HydrophobicContact CG1-CE2 4.16Å; V345-Y359 HydrophobicContact CG1-CG 4.38Å; V345-Y359 HydrophobicContact CG2-CD2 4.27Å; V345-Y359 HydrophobicContact CG2-CG 4.23Å; Y359-Y376 WeakPolarHBondContact CE1-OH 3.45Å; Y359-Y376 PolarHBondContact OH-OH 2.8Å
360A92.6Very high95.1Very high30 Ų3034.8 Ų34.825%0.24821%0.211CC..EExtended strand (participates in β ladder)trans-123.9146.5173.700000110.2L161 Y304L161-A360 HydrophobicContact CD1-CB 4.19Å; Y304-A360 CarbonylContact O-C 3.59Å; Y304-A360 VanDerWaalsContact O-CA 3.29Å; Y304-A360 WeakPolarHBondContact O-CA 3.42Å
361S93.2Very high95Very high7 Ų734.6 Ų34.65%0.04921%0.207CC..EExtended strand (participates in β ladder)trans-147.1176.6176.5178.80000109.2T303 Y304T303-S361 CarbonylContact C-O 3.52Å; T303-S361 VanDerWaalsContact CA-O 3.31Å; T303-S361 WeakPolarHBondContact CA-O 3.47Å; Y304-S361 VanDerWaalsContact CZ-CB 3.47Å; Y304-S361 PolarHBondContact N-O 3.23Å; Y304-S361 PolarHBondContact O-N 2.93Å; Y304-S361 WeakPolarHBondContact OH-CB 3.17Å; Y304-S361 PolarHBondContact OH-OG 3.04Å
362C93.8Very high94.9Very high11 Ų1134.7 Ų34.77%0.07421%0.207CC..EExtended strand (participates in β ladder)trans-129.1164.7178.662.90000112.9L161 F301 F302 T303 C448L161-C362 HydrophobicContact CD2-CB 3.51Å; F301-C362 HydrophobicContact CD1-CB 4.45Å; F301-C362 HydrophobicContact CE1-CB 3.47Å; F301-C362 VanDerWaalsContact CE1-CB 3.47Å; F301-C362 HydrophobicContact CZ-CB 3.56Å; F301-C362 VanDerWaalsContact CZ-SG 3.58Å; F302-C362 CarbonylContact O-C 3.46Å; F302-C362 VanDerWaalsContact O-CA 3.23Å; F302-C362 WeakPolarHBondContact O-CA 3.47Å; F302-C362 WeakPolarHBondContact O-CB 3.34Å; T303-C362 HydrophobicContact CG2-CB 4.18Å; C362-C448 HydrophobicContact CB-CB 4.37Å; C362-C448 WeakPolarHBondContact CB-SG 3.25Å; C362-C448 WeakPolarHBondContact SG-CB 3.32Å; C362-C448 CovalentContact SG-SG 2.05Å; C362-C448 PolarHBondContact SG-SG 3.14Å
363T93.8Very high94.9Very high3 Ų333.3 Ų33.32%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-148.5158168.3-170.90000109.2F302 Y304 F365 M372 M397F302-T363 HydrophobicContact CB-CG2 4.3Å; F302-T363 PolarHBondContact N-O 3.46Å; F302-T363 PolarHBondContact O-N 3.28Å; F302-T363 VanDerWaalsContact O-O 3.11Å; Y304-T363 HydrophobicContact CD1-CG2 4.43Å; Y304-T363 HydrophobicContact CE1-CG2 4.27Å; T363-F365 HydrophobicContact CG2-CD2 4.41Å; T363-F365 HydrophobicContact CG2-CE1 4.16Å; T363-F365 HydrophobicContact CG2-CE2 3.51Å; T363-F365 HydrophobicContact CG2-CZ 3.36Å; T363-M372 HydrophobicContact CG2-SD 4.03Å; T363-M397 HydrophobicContact CG2-CE 4Å; T363-M397 HydrophobicContact CG2-SD 3.72Å
364T93.9Very high94.9Very high41 Ų4132 Ų3225%0.25219%0.191SC..EExtended strand (participates in β ladder)trans-125.9140.5175.650.80000109.7F300 F301F300-T364 WeakPolarHBondContact O-CA 3.42Å; F301-T364 HydrophobicContact CB-CG2 4.24Å; F301-T364 HydrophobicContact CD2-CG2 3.29Å; F301-T364 HydrophobicContact CE2-CG2 3.86Å; F301-T364 HydrophobicContact CG-CG2 3.94Å
365F93.8Very high95Very high10 Ų1032.6 Ų32.64%0.04419%0.186CC..EExtended strand (participates in β ladder)trans-123.5151.6177.9-58.1-56.5000111.1H299 F300 F302 I329 T363 T367 E370 M372 M397H299-F365 WeakPolarHBondContact CA-O 3.37Å; F300-F365 PolarHBondContact N-O 3.42Å; F300-F365 PolarHBondContact O-N 3.11Å; F302-F365 AromaticContact CD2-CD2 3.59Å; F302-F365 HydrophobicContact CD2-CD2 3.59Å; F302-F365 AromaticContact CD2-CE2 3.9Å; F302-F365 HydrophobicContact CD2-CE2 3.9Å; F302-F365 AromaticContact CE2-CD2 3.76Å; F302-F365 HydrophobicContact CE2-CD2 3.76Å; F302-F365 HydrophobicContact CE2-CE2 4.36Å; I329-F365 HydrophobicContact CG2-CE1 3.51Å; I329-F365 HydrophobicContact CG2-CZ 4.12Å; T363-F365 HydrophobicContact CG2-CD2 4.41Å; T363-F365 HydrophobicContact CG2-CE1 4.16Å; T363-F365 HydrophobicContact CG2-CE2 3.51Å; T363-F365 HydrophobicContact CG2-CZ 3.36Å; F365-T367 WeakPolarHBondContact CB-O 3.17Å; F365-E370 HydrophobicContact CB-CG 3.94Å; F365-E370 HydrophobicContact CD1-CB 4.15Å; F365-E370 HydrophobicContact CD1-CG 3.88Å; F365-E370 HydrophobicContact CD2-CB 3.81Å; F365-E370 HydrophobicContact CD2-CG 3.82Å; F365-E370 HydrophobicContact CE1-CB 4.12Å; F365-E370 HydrophobicContact CE1-CG 4.35Å; F365-E370 HydrophobicContact CE2-CB 3.77Å; F365-E370 HydrophobicContact CE2-CG 4.29Å; F365-E370 HydrophobicContact CG-CB 4Å; F365-E370 HydrophobicContact CG-CG 3.6Å; F365-E370 HydrophobicContact CZ-CB 3.92Å; F365-M372 HydrophobicContact CZ-CG 4.46Å; F365-M372 HydrophobicContact CZ-SD 4.37Å; F365-M397 HydrophobicContact CE2-CB 4.16Å; F365-M397 HydrophobicContact CE2-CE 3.49Å; F365-M397 VanDerWaalsContact CE2-CE 3.49Å; F365-M397 HydrophobicContact CE2-SD 3.89Å; F365-M397 HydrophobicContact CZ-CE 3.52Å; F365-M397 HydrophobicContact CZ-SD 4.37Å
366S92.9Very high95Very high71 Ų7128.6 Ų28.650%0.49717%0.168SC..SBendtrans-877.4170.4490000112.8P298P298-S366 WeakPolarHBondContact CB-O 3.5Å
367T92.8Very high95.1Very high20 Ų2027 Ų2712%0.12316%0.159CC..SBendtrans-144.7147.1-168.136.90000108.6F300 S332 F365 S369 E370F300-T367 VanDerWaalsContact CD2-O 3.28Å; F300-T367 WeakPolarHBondContact CD2-O 3.42Å; S332-T367 WeakPolarHBondContact OG-CB 3.4Å; F365-T367 WeakPolarHBondContact CB-O 3.17Å; T367-S369 PolarHBondContact O-N 2.85Å; T367-E370 WeakPolarHBondContact CB-OE1 3.37Å; T367-E370 VanDerWaalsContact OG1-CD 3.32Å; T367-E370 PolarHBondContact OG1-OE1 3.49Å
368P92.8Very high95.1Very high45 Ų4525.9 Ų25.929%0.29215%0.154SC..SBendtrans-79.9-15-164.329.7-36.1000114.4F300 C399 Y402F300-P368 HydrophobicContact CD1-CB 4.46Å; F300-P368 HydrophobicContact CE1-CB 4.08Å; F300-P368 HydrophobicContact CE2-CB 4.14Å; F300-P368 HydrophobicContact CZ-CB 3.91Å; P368-C399 HydrophobicContact CB-CB 3.93Å; P368-C399 WeakPolarHBondContact O-CB 3.44Å; P368-C399 PolarHBondContact O-N 3.46Å; P368-Y402 HydrophobicContact CB-CE1 4.12Å
369S93.1Very high95.3Very high46 Ų4622.2 Ų22.232%0.32214%0.137SC..EExtended strand (participates in β ladder)trans-144.5109.7-173.3169.40000111.1T367 M397T367-S369 PolarHBondContact O-N 2.85Å; S369-M397 WeakPolarHBondContact CA-O 3.45Å
370E94Very high95.5Very high2 Ų224 Ų241%0.00914%0.143CC..EExtended strand (participates in β ladder)trans-134.1169.5-176.4-55.8-49.8168.100115.2T331 S332 F365 T367 H396 M397T331-E370 WeakPolarHBondContact CA-OE2 3.44Å; T331-E370 HydrophobicContact CG2-CG 4.38Å; S332-E370 VanDerWaalsContact CB-OE1 3.26Å; S332-E370 WeakPolarHBondContact CB-OE1 3.36Å; S332-E370 PolarHBondContact N-OE1 3.39Å; S332-E370 PolarHBondContact N-OE2 3.47Å; S332-E370 PolarHBondContact OG-OE1 3.5Å; F365-E370 HydrophobicContact CB-CG 3.94Å; F365-E370 HydrophobicContact CD1-CB 4.15Å; F365-E370 HydrophobicContact CD1-CG 3.88Å; F365-E370 HydrophobicContact CD2-CB 3.81Å; F365-E370 HydrophobicContact CD2-CG 3.82Å; F365-E370 HydrophobicContact CE1-CB 4.12Å; F365-E370 HydrophobicContact CE1-CG 4.35Å; F365-E370 HydrophobicContact CE2-CB 3.77Å; F365-E370 HydrophobicContact CE2-CG 4.29Å; F365-E370 HydrophobicContact CG-CB 4Å; F365-E370 HydrophobicContact CG-CG 3.6Å; F365-E370 HydrophobicContact CZ-CB 3.92Å; T367-E370 WeakPolarHBondContact CB-OE1 3.37Å; T367-E370 VanDerWaalsContact OG1-CD 3.32Å; T367-E370 PolarHBondContact OG1-OE1 3.49Å; E370-H396 CarbonylContact O-C 3.56Å; E370-H396 VanDerWaalsContact O-CA 3.31Å; E370-H396 WeakPolarHBondContact O-CA 3.44Å; E370-M397 PolarHBondContact N-O 3.46Å; E370-M397 PolarHBondContact O-N 2.91Å
371F95.4Very high95.7Very high38 Ų3826.1 Ų26.117%0.16715%0.15CC..EExtended strand (participates in β ladder)trans-135.5152175.269.6-92.2000113.4T330 R394 F395 H396T330-F371 HydrophobicContact CG2-CE1 3.78Å; T330-F371 HydrophobicContact CG2-CE2 4.34Å; T330-F371 HydrophobicContact CG2-CZ 3.56Å; T330-F371 PolarHBondContact N-O 2.95Å; T330-F371 PolarHBondContact O-N 3.45Å; T330-F371 WeakPolarHBondContact OG1-CE2 3.27Å; F371-R394 HydrophobicContact CB-CG 4.18Å; F371-R394 HydrophobicContact CD2-CG 3.76Å; F371-R394 HydrophobicContact CG-CG 4.23Å; F371-F395 VanDerWaalsContact CA-O 3.22Å; F371-F395 WeakPolarHBondContact CA-O 3.5Å; F371-F395 WeakPolarHBondContact CB-O 3.44Å; F371-H396 AromaticContact CD1-CE1 3.98Å
372M97.1Very high95.7Very high2 Ų229.7 Ų29.71%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-126.3145.8174.4-68.6-179.655.700109.6Y304 W327 I329 T363 F365 R394 F395 M397Y304-M372 HydrophobicContact CE1-CE 4.34Å; Y304-M372 HydrophobicContact CE1-SD 4.33Å; W327-M372 HydrophobicContact CB-CE 4.37Å; W327-M372 HydrophobicContact CD2-CE 3.65Å; W327-M372 HydrophobicContact CE3-CB 4.18Å; W327-M372 HydrophobicContact CE3-CE 3.56Å; W327-M372 HydrophobicContact CG-CE 4.04Å; W327-M372 HydrophobicContact CH2-CE 4.47Å; W327-M372 HydrophobicContact CZ3-CB 4.19Å; W327-M372 HydrophobicContact CZ3-CE 4Å; I329-M372 HydrophobicContact CB-CG 4.28Å; I329-M372 HydrophobicContact CD1-CE 3.99Å; I329-M372 HydrophobicContact CD1-SD 4.2Å; I329-M372 HydrophobicContact CG1-CE 4.02Å; I329-M372 HydrophobicContact CG1-CG 3.94Å; I329-M372 HydrophobicContact CG1-SD 4.24Å; I329-M372 HydrophobicContact CG2-CG 4.02Å; T363-M372 HydrophobicContact CG2-SD 4.03Å; F365-M372 HydrophobicContact CZ-CG 4.46Å; F365-M372 HydrophobicContact CZ-SD 4.37Å; M372-R394 WeakPolarHBondContact O-CA 3.1Å; M372-F395 HydrophobicContact CB-CE1 3.97Å; M372-F395 HydrophobicContact CB-CE2 3.91Å; M372-F395 HydrophobicContact CB-CZ 3.57Å; M372-F395 HydrophobicContact CE-CZ 4.43Å; M372-F395 HydrophobicContact CG-CE2 4.48Å; M372-F395 HydrophobicContact CG-CZ 4.39Å; M372-F395 PolarHBondContact N-O 3.13Å; M372-F395 PolarHBondContact O-N 3.39Å; M372-F395 HydrophobicContact SD-CE2 4.4Å; M372-F395 HydrophobicContact SD-CZ 4.26Å; M372-M397 HydrophobicContact CB-CE 4.24Å; M372-M397 HydrophobicContact CG-CE 3.57Å; M372-M397 HydrophobicContact SD-CE 3.54Å; M372-M397 VanDerWaalsContact SD-CE 3.54Å
373E97.7Very high95.7Very high29 Ų2932.8 Ų32.814%0.13620%0.196CC..EExtended strand (participates in β ladder)trans-151168172.566.1-164.2154.800109.4R328 R394R328-E373 HydrophobicContact CB-CG 4.26Å; R328-E373 IonicContact CZ-OE1 3.3Å; R328-E373 VanDerWaalsContact CZ-OE1 3.24Å; R328-E373 PolarHBondContact N-O 3.34Å; R328-E373 IonicContact NE-OE1 3.67Å; R328-E373 PolarHBondContact NE-OE1 3.35Å; R328-E373 IonicContact NH2-OE1 3.67Å; R328-E373 PolarHBondContact NH2-OE1 2.89Å; R328-E373 IonicContact NH2-OE2 3.71Å; R328-E373 PolarHBondContact O-N 2.91Å; E373-R394 HydrophobicContact CB-CB 4.04Å; E373-R394 HydrophobicContact CB-CG 4.41Å; E373-R394 VanDerWaalsContact CD-NH2 3.27Å; E373-R394 IonicContact OE1-CZ 3.93Å; E373-R394 IonicContact OE1-NE 2.84Å; E373-R394 IonicContact OE1-NH2 3.27Å; E373-R394 PolarHBondContact OE1-NH2 3.05Å; E373-R394 IonicContact OE2-CZ 3.95Å; E373-R394 VanDerWaalsContact OE2-CZ 3.27Å; E373-R394 IonicContact OE2-NE 3.64Å; E373-R394 PolarHBondContact OE2-NE 3.32Å; E373-R394 IonicContact OE2-NH2 3.06Å; E373-R394 PolarHBondContact OE2-NH2 2.75Å
374G98.1Very high95.6Very high15 Ų1540 Ų4016%0.15523%0.227CC..EExtended strand (participates in β ladder)trans168.9-157.2-177.200000113.9Y326 I392Y326-G374 WeakPolarHBondContact O-CA 3.44Å; G374-I392 PolarHBondContact O-N 3.42Å
375H98.7Very high95.6Very high42 Ų4246.4 Ų46.419%0.19425%0.254CS..EExtended strand (participates in β ladder)trans-152.9156.4174.357.9-92.7000111.2Y326 Q389 V390Y326-H375 AromaticContact CD1-CE1 3.41Å; Y326-H375 VanDerWaalsContact CD1-CE1 3.41Å; Y326-H375 WeakPolarHBondContact CD1-CE1 3.43Å; Y326-H375 AromaticContact CD1-ND1 3.62Å; Y326-H375 AromaticContact CG-CE1 3.68Å; Y326-H375 PolarHBondContact N-O 3.07Å; Y326-H375 PolarHBondContact O-N 2.64Å; H375-Q389 HydrophobicContact CB-CB 4.33Å; H375-Q389 PolarHBondContact NE2-NE2 3.03Å; H375-Q389 VanDerWaalsContact NE2-NE2 3.11Å; H375-V390 CarbonylContact C-O 3.2Å; H375-V390 WeakPolarHBondContact CA-O 3.39Å; H375-V390 WeakPolarHBondContact CB-O 3.38Å
376Y98.7Very high95.7Very high0 Ų050.1 Ų50.10%027%0.271CS..EExtended strand (participates in β ladder)trans-97.7146.2163.5-60.9-60.6000109.9V282 I306 I308 L322 S324 R325 V344 Y359 F378 Q389 V390 I392V282-Y376 HydrophobicContact CG1-CE2 4.07Å; V282-Y376 HydrophobicContact CG2-CD2 4.14Å; V282-Y376 HydrophobicContact CG2-CE2 4.06Å; I306-Y376 WeakPolarHBondContact CD1-OH 3.47Å; I306-Y376 WeakPolarHBondContact CG2-OH 3.42Å; I308-Y376 HydrophobicContact CD1-CD2 4.05Å; I308-Y376 HydrophobicContact CD1-CE2 3.61Å; I308-Y376 HydrophobicContact CG1-CE2 4.08Å; L322-Y376 HydrophobicContact CD1-CD1 3.73Å; L322-Y376 HydrophobicContact CD1-CD2 4.44Å; L322-Y376 HydrophobicContact CD1-CE1 4.21Å; L322-Y376 HydrophobicContact CD1-CG 3.86Å; L322-Y376 HydrophobicContact CG-CD1 4.44Å; S324-Y376 WeakPolarHBondContact O-CA 3.31Å; R325-Y376 HydrophobicContact CB-CD1 3.67Å; R325-Y376 HydrophobicContact CB-CE1 3.79Å; V344-Y376 HydrophobicContact CG1-CD1 4.12Å; V344-Y376 HydrophobicContact CG1-CE1 3.51Å; Y359-Y376 WeakPolarHBondContact CE1-OH 3.45Å; Y359-Y376 PolarHBondContact OH-OH 2.8Å; Y376-F378 VanDerWaalsContact CB-CE2 3.49Å; Y376-F378 HydrophobicContact CD2-CE2 4.4Å; Y376-F378 HydrophobicContact CG-CE2 4.23Å; Y376-Q389 CarbonylContact O-C 3.52Å; Y376-Q389 VanDerWaalsContact O-CA 3.27Å; Y376-Q389 WeakPolarHBondContact O-CA 3.39Å; Y376-V390 PolarHBondContact N-O 2.85Å; Y376-V390 PolarHBondContact O-N 3.35Å; Y376-I392 HydrophobicContact CD1-CD1 4.14Å; Y376-I392 HydrophobicContact CD2-CD1 4.03Å; Y376-I392 HydrophobicContact CD2-CG1 3.86Å; Y376-I392 HydrophobicContact CE1-CD1 3.77Å; Y376-I392 HydrophobicContact CE2-CD1 3.65Å; Y376-I392 HydrophobicContact CE2-CG1 3.61Å; Y376-I392 HydrophobicContact CG-CD1 4.25Å; Y376-I392 HydrophobicContact CG-CG1 4.46Å
377T98.6Very high95.9Very high25 Ų2550.8 Ų50.815%0.15327%0.272CS..EExtended strand (participates in β ladder)trans-100.1129168.9-54.20000108.7D323 S324 V387D323-T377 PolarHBondContact N-O 2.94Å; S324-T377 PolarHBondContact N-O 3.24Å; S324-T377 PolarHBondContact O-N 3.09Å; S324-T377 WeakPolarHBondContact OG-CB 3.42Å; S324-T377 PolarHBondContact OG-OG1 3.35Å; T377-V387 HydrophobicContact CG2-CG1 3.3Å
378F98.6Very high96.1Very high0 Ų052 Ų520%028%0.276CS..EExtended strand (participates in β ladder)trans-123.4150.4178.5-81.2-99000110.4I308 C320 Q321 L322 M351 Y376 V387 F388 V390I308-F378 HydrophobicContact CG2-CZ 4.38Å; C320-F378 HydrophobicContact CB-CB 4.37Å; C320-F378 HydrophobicContact CB-CD1 4Å; C320-F378 VanDerWaalsContact SG-CD1 3.53Å; Q321-F378 VanDerWaalsContact O-CA 3.23Å; Q321-F378 WeakPolarHBondContact O-CA 3.35Å; Q321-F378 VanDerWaalsContact O-CD1 3.27Å; Q321-F378 WeakPolarHBondContact O-CD1 3.32Å; L322-F378 HydrophobicContact CB-CD1 4.11Å; L322-F378 HydrophobicContact CB-CE1 3.56Å; L322-F378 HydrophobicContact CB-CE2 4.19Å; L322-F378 HydrophobicContact CB-CZ 3.61Å; L322-F378 HydrophobicContact CD1-CE2 4.1Å; L322-F378 HydrophobicContact CD1-CZ 3.84Å; L322-F378 HydrophobicContact CG-CE1 4.4Å; L322-F378 HydrophobicContact CG-CE2 4.15Å; L322-F378 HydrophobicContact CG-CZ 3.98Å; L322-F378 VanDerWaalsContact N-CD1 3.29Å; L322-F378 VanDerWaalsContact N-CE1 3.33Å; M351-F378 HydrophobicContact CG-CE1 3.77Å; M351-F378 HydrophobicContact CG-CZ 4.26Å; Y376-F378 VanDerWaalsContact CB-CE2 3.49Å; Y376-F378 HydrophobicContact CD2-CE2 4.4Å; Y376-F378 HydrophobicContact CG-CE2 4.23Å; F378-V387 CarbonylContact O-C 3.56Å; F378-V387 VanDerWaalsContact O-CA 3.27Å; F378-V387 WeakPolarHBondContact O-CA 3.39Å; F378-V387 WeakPolarHBondContact O-CG1 3.26Å; F378-F388 HydrophobicContact CB-CD1 4.28Å; F378-F388 HydrophobicContact CB-CE1 3.78Å; F378-F388 HydrophobicContact CB-CE2 4.06Å; F378-F388 HydrophobicContact CB-CZ 3.66Å; F378-F388 HydrophobicContact CG-CZ 4.35Å; F378-F388 PolarHBondContact N-O 2.91Å; F378-F388 PolarHBondContact O-N 3.3Å; F378-V390 HydrophobicContact CD2-CB 4.17Å; F378-V390 HydrophobicContact CD2-CG2 3.66Å; F378-V390 HydrophobicContact CE2-CB 4.19Å; F378-V390 HydrophobicContact CE2-CG2 3.97Å; F378-V390 HydrophobicContact CG-CG2 4.45Å
379H98.2Very high96.4Very high13 Ų1355.3 Ų55.36%0.0629%0.287CS..EExtended strand (participates in β ladder)trans-114.6150.8162.470-87000111.2C320 Q321 D323 E386 V387C320-H379 CarbonylContact C-O 3.59Å; C320-H379 WeakPolarHBondContact CA-O 3.47Å; C320-H379 VanDerWaalsContact CB-O 3.23Å; C320-H379 WeakPolarHBondContact CB-O 3.24Å; Q321-H379 PolarHBondContact N-O 3.41Å; Q321-H379 PolarHBondContact O-N 3.02Å; Q321-H379 VanDerWaalsContact O-N 3.08Å; D323-H379 IonicContact OD1-CE1 3.31Å; D323-H379 PolarHBondContact OD1-CE1 3.46Å; D323-H379 IonicContact OD1-ND1 3.97Å; D323-H379 PolarHBondContact OD1-ND1 3.28Å; D323-H379 IonicContact OD2-CE1 2.61Å; D323-H379 IonicContact OD2-CG 3.4Å; D323-H379 PolarHBondContact OD2-N 2.92Å; D323-H379 IonicContact OD2-ND1 3.67Å; D323-H379 PolarHBondContact OD2-ND1 2.87Å; H379-E386 VanDerWaalsContact CA-O 3.31Å; H379-E386 WeakPolarHBondContact CA-O 3.42Å; H379-V387 HydrophobicContact CB-CG2 4.16Å
380R97.4Very high96.7Very high53 Ų5353.1 Ų53.120%0.227%0.272CS..EExtended strand (participates in β ladder)trans-71.7141.8171.4-64.8-65.3-171.7-172.60.6110.9A318 A382 N383 E386 F388A318-R380 VanDerWaalsContact CA-NH1 3.31Å; A318-R380 PolarHBondContact O-NH1 2.89Å; R380-A382 VanDerWaalsContact C-N 3.32Å; R380-A382 PolarHBondContact O-N 2.66Å; R380-N383 CarbonylContact O-C 3.53Å; R380-N383 PolarHBondContact O-N 2.76Å; R380-N383 VanDerWaalsContact O-O 3.08Å; R380-E386 HydrophobicContact CB-CB 4.26Å; R380-E386 HydrophobicContact CG-CB 3.97Å; R380-E386 HydrophobicContact CG-CG 3.87Å; R380-E386 VanDerWaalsContact CG-OE1 3.27Å; R380-E386 WeakPolarHBondContact CG-OE1 3.43Å; R380-E386 IonicContact CZ-OE1 3.45Å; R380-E386 PolarHBondContact N-O 2.86Å; R380-E386 IonicContact NE-OE1 2.67Å; R380-E386 PolarHBondContact NE-OE1 3.33Å; R380-E386 IonicContact NH2-OE1 3.68Å; R380-F388 HydrophobicContact CG-CE1 4.33Å
381L96.9Very high96.9Very high76 Ų7655 Ų5540%0.39829%0.288SS..SBendtrans-69.5-32.4174.8-61.8-174.3000112.5A319 Q321 V350A319-L381 HydrophobicContact CB-CB 4.48Å; A319-L381 HydrophobicContact CB-CD1 3.74Å; A319-L381 HydrophobicContact CB-CG 4.17Å; A319-L381 PolarHBondContact O-N 3.34Å; Q321-L381 HydrophobicContact CB-CD2 3.95Å; V350-L381 HydrophobicContact CG1-CD1 3.62Å; V350-L381 HydrophobicContact CG1-CD2 4.35Å; V350-L381 HydrophobicContact CG1-CG 4.41Å
382A94.2Very high97Very high82 Ų8253.5 Ų53.568%0.67828%0.281SS*.SBendtrans-71.4-31.5178.900000112.6R380R380-A382 VanDerWaalsContact C-N 3.32Å; R380-A382 PolarHBondContact O-N 2.66Å
383N93.6Very high97.1Very high75 Ų7553.9 Ų53.940%0.40128%0.284SS..  trans-145106.3176.5-178.97.5000110.5R380 E385 E386R380-N383 CarbonylContact O-C 3.53Å; R380-N383 PolarHBondContact O-N 2.76Å; R380-N383 VanDerWaalsContact O-O 3.08Å; N383-E385 PolarHBondContact O-N 3.11Å; N383-E385 WeakPolarHBondContact OD1-CB 3.03Å; N383-E385 PolarHBondContact OD1-N 3.36Å; N383-E386 HydrophobicContact CB-CB 4.31Å; N383-E386 WeakPolarHBondContact O-CB 3.41Å; N383-E386 PolarHBondContact O-N 3.37Å
384K90.5Very high97.1Very high155 Ų15558 Ų5867%0.67430%0.299SS*.THydrogen-bonded Turntrans-65.9-18.8-178.9-66-165.8172.5-1700114.3E386K384-E386 VanDerWaalsContact C-N 3.29Å
385E94.3Very high97Very high175 Ų17557.4 Ų57.482%0.81829%0.292SS*.THydrogen-bonded Turntrans-77.6-18.9175.1-60.6-176.6172.200112N383 V387N383-E385 PolarHBondContact O-N 3.11Å; N383-E385 WeakPolarHBondContact OD1-CB 3.03Å; N383-E385 PolarHBondContact OD1-N 3.36Å; E385-V387 PolarHBondContact O-N 3.34Å; E385-V387 VanDerWaalsContact O-N 3.11Å
386E95.5Very high96.8Very high89 Ų8958.9 Ų58.942%0.41630%0.299SS..  trans-80.892.1174.9-169.4-172.7143.500110.1H379 R380 N383 K384H379-E386 VanDerWaalsContact CA-O 3.31Å; H379-E386 WeakPolarHBondContact CA-O 3.42Å; R380-E386 HydrophobicContact CB-CB 4.26Å; R380-E386 HydrophobicContact CG-CB 3.97Å; R380-E386 HydrophobicContact CG-CG 3.87Å; R380-E386 VanDerWaalsContact CG-OE1 3.27Å; R380-E386 WeakPolarHBondContact CG-OE1 3.43Å; R380-E386 IonicContact CZ-OE1 3.45Å; R380-E386 PolarHBondContact N-O 2.86Å; R380-E386 IonicContact NE-OE1 2.67Å; R380-E386 PolarHBondContact NE-OE1 3.33Å; R380-E386 IonicContact NH2-OE1 3.68Å; N383-E386 HydrophobicContact CB-CB 4.31Å; N383-E386 WeakPolarHBondContact O-CB 3.41Å; N383-E386 PolarHBondContact O-N 3.37Å; K384-E386 VanDerWaalsContact C-N 3.29Å
387V97.6Very high96.6Very high84 Ų8458.9 Ų58.951%0.50930%0.299SS..EExtended strand (participates in β ladder)trans-103.6136.7177.5-178.40000110.3T377 F378 H379 E385T377-V387 HydrophobicContact CG2-CG1 3.3Å; F378-V387 CarbonylContact O-C 3.56Å; F378-V387 VanDerWaalsContact O-CA 3.27Å; F378-V387 WeakPolarHBondContact O-CA 3.39Å; F378-V387 WeakPolarHBondContact O-CG1 3.26Å; H379-V387 HydrophobicContact CB-CG2 4.16Å; E385-V387 PolarHBondContact O-N 3.34Å; E385-V387 VanDerWaalsContact O-N 3.11Å
388F98.2Very high96.4Very high45 Ų4561.7 Ų61.720%0.19732%0.316CS..EExtended strand (participates in β ladder)trans-144.3159.1178.365.7-80.4000111.8C320 F378 R380 V390C320-F388 HydrophobicContact CB-CE1 3.97Å; C320-F388 HydrophobicContact CB-CZ 3.87Å; F378-F388 HydrophobicContact CB-CD1 4.28Å; F378-F388 HydrophobicContact CB-CE1 3.78Å; F378-F388 HydrophobicContact CB-CE2 4.06Å; F378-F388 HydrophobicContact CB-CZ 3.66Å; F378-F388 HydrophobicContact CG-CZ 4.35Å; F378-F388 PolarHBondContact N-O 2.91Å; F378-F388 PolarHBondContact O-N 3.3Å; R380-F388 HydrophobicContact CG-CE1 4.33Å; F388-V390 HydrophobicContact CD2-CG2 4.02Å; F388-V390 HydrophobicContact CE2-CG2 3.6Å
389Q98.5Very high96.3Very high115 Ų11562.3 Ų62.354%0.53732%0.319SS..EExtended strand (participates in β ladder)trans-99.6140.5177.8-68178.6-15.700110.6T277 H375 Y376T277-Q389 WeakPolarHBondContact CG2-O 3.45Å; H375-Q389 HydrophobicContact CB-CB 4.33Å; H375-Q389 PolarHBondContact NE2-NE2 3.03Å; H375-Q389 VanDerWaalsContact NE2-NE2 3.11Å; Y376-Q389 CarbonylContact O-C 3.52Å; Y376-Q389 VanDerWaalsContact O-CA 3.27Å; Y376-Q389 WeakPolarHBondContact O-CA 3.39Å
390V98.7Very high96Very high0 Ų063.5 Ų63.50%033%0.329CS..EExtended strand (participates in β ladder)trans-113119.2171.51750000107.8I280 V282 H375 Y376 F378 F388I280-V390 HydrophobicContact CB-CG1 4.05Å; I280-V390 HydrophobicContact CB-CG2 4.14Å; I280-V390 HydrophobicContact CG1-CG2 4.31Å; I280-V390 HydrophobicContact CG2-CG1 3.61Å; I280-V390 HydrophobicContact CG2-CG2 4.27Å; V282-V390 HydrophobicContact CG2-CG1 3.71Å; H375-V390 CarbonylContact C-O 3.2Å; H375-V390 WeakPolarHBondContact CA-O 3.39Å; H375-V390 WeakPolarHBondContact CB-O 3.38Å; Y376-V390 PolarHBondContact N-O 2.85Å; Y376-V390 PolarHBondContact O-N 3.35Å; F378-V390 HydrophobicContact CD2-CB 4.17Å; F378-V390 HydrophobicContact CD2-CG2 3.66Å; F378-V390 HydrophobicContact CE2-CB 4.19Å; F378-V390 HydrophobicContact CE2-CG2 3.97Å; F378-V390 HydrophobicContact CG-CG2 4.45Å; F388-V390 HydrophobicContact CD2-CG2 4.02Å; F388-V390 HydrophobicContact CE2-CG2 3.6Å
391A98.6Very high95.8Very high41 Ų4165.8 Ų65.834%0.33935%0.35SS..EExtended strand (participates in β ladder)trans-65.4140.1-178.600000111.5A275 T277A275-A391 HydrophobicContact CB-CB 4.24Å; T277-A391 PolarHBondContact OG1-N 3.17Å; T277-A391 VanDerWaalsContact OG1-N 3.09Å
392I98.5Very high95.7Very high7 Ų766.1 Ų66.14%0.03635%0.347CS..EExtended strand (participates in β ladder)trans-100128.8165.9-56.4170.5000106.4V282 V284 W327 G374 Y376 F395V282-I392 HydrophobicContact CG1-CG1 4.39Å; V282-I392 HydrophobicContact CG1-CG2 4.24Å; V284-I392 HydrophobicContact CG2-CG2 4.2Å; W327-I392 HydrophobicContact CD2-CD1 4.41Å; W327-I392 HydrophobicContact CE3-CD1 4.31Å; W327-I392 HydrophobicContact CH2-CB 4.44Å; W327-I392 HydrophobicContact CH2-CD1 3.66Å; W327-I392 HydrophobicContact CH2-CG2 3.56Å; W327-I392 HydrophobicContact CZ2-CD1 3.71Å; W327-I392 HydrophobicContact CZ3-CB 4.34Å; W327-I392 HydrophobicContact CZ3-CD1 3.94Å; W327-I392 HydrophobicContact CZ3-CG2 3.64Å; G374-I392 PolarHBondContact O-N 3.42Å; Y376-I392 HydrophobicContact CD1-CD1 4.14Å; Y376-I392 HydrophobicContact CD2-CD1 4.03Å; Y376-I392 HydrophobicContact CD2-CG1 3.86Å; Y376-I392 HydrophobicContact CE1-CD1 3.77Å; Y376-I392 HydrophobicContact CE2-CD1 3.65Å; Y376-I392 HydrophobicContact CE2-CG1 3.61Å; Y376-I392 HydrophobicContact CG-CD1 4.25Å; Y376-I392 HydrophobicContact CG-CG1 4.46Å; I392-F395 HydrophobicContact CG2-CE1 4.31Å
393P98Very high95.5Very high11 Ų1164.9 Ų64.97%0.07132%0.324CS..EExtended strand (participates in β ladder)trans-61.1150.818028-34.8000110.1C273 A275 V284 F395C273-P393 VanDerWaalsContact C-CG 3.43Å; C273-P393 WeakPolarHBondContact O-CG 3.18Å; A275-P393 HydrophobicContact CB-CB 3.96Å; A275-P393 HydrophobicContact CB-CG 4.28Å; V284-P393 HydrophobicContact CG2-CG 3.9Å; P393-F395 WeakPolarHBondContact O-CD1 3.34Å; P393-F395 PolarHBondContact O-N 2.85Å
394R96.9Very high95.1Very high116 Ų11665.9 Ų65.944%0.43833%0.327SS..EExtended strand (participates in β ladder)trans-66.1129.3165-178.2179.8-62.6-168.9-4.9108.7F371 M372 E373F371-R394 HydrophobicContact CB-CG 4.18Å; F371-R394 HydrophobicContact CD2-CG 3.76Å; F371-R394 HydrophobicContact CG-CG 4.23Å; M372-R394 WeakPolarHBondContact O-CA 3.1Å; E373-R394 HydrophobicContact CB-CB 4.04Å; E373-R394 HydrophobicContact CB-CG 4.41Å; E373-R394 VanDerWaalsContact CD-NH2 3.27Å; E373-R394 IonicContact OE1-CZ 3.93Å; E373-R394 IonicContact OE1-NE 2.84Å; E373-R394 IonicContact OE1-NH2 3.27Å; E373-R394 PolarHBondContact OE1-NH2 3.05Å; E373-R394 IonicContact OE2-CZ 3.95Å; E373-R394 VanDerWaalsContact OE2-CZ 3.27Å; E373-R394 IonicContact OE2-NE 3.64Å; E373-R394 PolarHBondContact OE2-NE 3.32Å; E373-R394 IonicContact OE2-NH2 3.06Å; E373-R394 PolarHBondContact OE2-NH2 2.75Å
395F96.6Very high94.3Very high1 Ų160.8 Ų60.80%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-132.5145.4174.359.8-90.2000110.9C273 V284 T286 Y304 W327 F371 M372 I392 P393 M397C273-F395 HydrophobicContact CB-CB 4.22Å; C273-F395 WeakPolarHBondContact SG-CB 3.39Å; V284-F395 HydrophobicContact CB-CB 4.42Å; V284-F395 HydrophobicContact CB-CD1 3.84Å; V284-F395 HydrophobicContact CB-CE1 4.21Å; V284-F395 HydrophobicContact CB-CG 4.11Å; V284-F395 HydrophobicContact CG1-CB 4.44Å; V284-F395 HydrophobicContact CG1-CD1 3.65Å; V284-F395 HydrophobicContact CG1-CD2 3.92Å; V284-F395 HydrophobicContact CG1-CE1 3.69Å; V284-F395 HydrophobicContact CG1-CE2 3.96Å; V284-F395 HydrophobicContact CG1-CG 3.75Å; V284-F395 HydrophobicContact CG1-CZ 3.85Å; V284-F395 HydrophobicContact CG2-CD1 3.73Å; V284-F395 HydrophobicContact CG2-CE1 3.9Å; V284-F395 HydrophobicContact CG2-CG 4.49Å; T286-F395 HydrophobicContact CG2-CD2 3.59Å; T286-F395 HydrophobicContact CG2-CE2 4.01Å; Y304-F395 HydrophobicContact CG-CE2 4.5Å; Y304-F395 HydrophobicContact CG-CZ 4.46Å; W327-F395 AromaticContact CH2-CE1 3.72Å; W327-F395 HydrophobicContact CH2-CE1 3.72Å; W327-F395 AromaticContact CH2-CZ 3.98Å; W327-F395 HydrophobicContact CH2-CZ 3.98Å; W327-F395 AromaticContact CZ3-CE1 3.52Å; W327-F395 HydrophobicContact CZ3-CE1 3.52Å; W327-F395 AromaticContact CZ3-CZ 3.87Å; W327-F395 HydrophobicContact CZ3-CZ 3.87Å; F371-F395 VanDerWaalsContact CA-O 3.22Å; F371-F395 WeakPolarHBondContact CA-O 3.5Å; F371-F395 WeakPolarHBondContact CB-O 3.44Å; M372-F395 HydrophobicContact CB-CE1 3.97Å; M372-F395 HydrophobicContact CB-CE2 3.91Å; M372-F395 HydrophobicContact CB-CZ 3.57Å; M372-F395 HydrophobicContact CE-CZ 4.43Å; M372-F395 HydrophobicContact CG-CE2 4.48Å; M372-F395 HydrophobicContact CG-CZ 4.39Å; M372-F395 PolarHBondContact N-O 3.13Å; M372-F395 PolarHBondContact O-N 3.39Å; M372-F395 HydrophobicContact SD-CE2 4.4Å; M372-F395 HydrophobicContact SD-CZ 4.26Å; I392-F395 HydrophobicContact CG2-CE1 4.31Å; P393-F395 WeakPolarHBondContact O-CD1 3.34Å; P393-F395 PolarHBondContact O-N 2.85Å; F395-M397 HydrophobicContact CD2-CE 4.2Å; F395-M397 HydrophobicContact CD2-CG 4.43Å; F395-M397 HydrophobicContact CE2-CE 3.71Å; F395-M397 HydrophobicContact CE2-SD 4.09Å
396H95.1Very high93Very high74 Ų7459.7 Ų59.734%0.34330%0.304SS..EExtended strand (participates in β ladder)trans-98.7147.7-179.8-69.1-98000111.1E370 F371 V398E370-H396 CarbonylContact O-C 3.56Å; E370-H396 VanDerWaalsContact O-CA 3.31Å; E370-H396 WeakPolarHBondContact O-CA 3.44Å; F371-H396 AromaticContact CD1-CE1 3.98Å; H396-V398 HydrophobicContact CB-CG2 4.17Å
397M95.3Very high91Very high0 Ų058.4 Ų58.40%031%0.305CS..EExtended strand (participates in β ladder)trans-126.399.8174.7-78170.4-71.200106.7T286 F302 T363 F365 S369 E370 M372 F395T286-M397 HydrophobicContact CG2-CG 3.7Å; T286-M397 HydrophobicContact CG2-SD 4.42Å; F302-M397 HydrophobicContact CB-CB 4.32Å; F302-M397 HydrophobicContact CB-CG 4.06Å; F302-M397 HydrophobicContact CB-SD 3.57Å; F302-M397 VanDerWaalsContact CB-SD 3.57Å; F302-M397 HydrophobicContact CD1-CB 3.62Å; F302-M397 HydrophobicContact CD1-CG 3.97Å; F302-M397 HydrophobicContact CD2-CB 4.05Å; F302-M397 HydrophobicContact CE1-CB 3.79Å; F302-M397 HydrophobicContact CE2-CB 4.21Å; F302-M397 HydrophobicContact CG-CB 3.74Å; F302-M397 HydrophobicContact CG-CG 4.01Å; F302-M397 HydrophobicContact CG-SD 4.04Å; F302-M397 HydrophobicContact CZ-CB 4.09Å; T363-M397 HydrophobicContact CG2-CE 4Å; T363-M397 HydrophobicContact CG2-SD 3.72Å; F365-M397 HydrophobicContact CE2-CB 4.16Å; F365-M397 HydrophobicContact CE2-CE 3.49Å; F365-M397 VanDerWaalsContact CE2-CE 3.49Å; F365-M397 HydrophobicContact CE2-SD 3.89Å; F365-M397 HydrophobicContact CZ-CE 3.52Å; F365-M397 HydrophobicContact CZ-SD 4.37Å; S369-M397 WeakPolarHBondContact CA-O 3.45Å; E370-M397 PolarHBondContact N-O 3.46Å; E370-M397 PolarHBondContact O-N 2.91Å; M372-M397 HydrophobicContact CB-CE 4.24Å; M372-M397 HydrophobicContact CG-CE 3.57Å; M372-M397 HydrophobicContact SD-CE 3.54Å; M372-M397 VanDerWaalsContact SD-CE 3.54Å; F395-M397 HydrophobicContact CD2-CE 4.2Å; F395-M397 HydrophobicContact CD2-CG 4.43Å; F395-M397 HydrophobicContact CE2-CE 3.71Å; F395-M397 HydrophobicContact CE2-SD 4.09Å
398V94.4Very high88.4Confident84 Ų8461.2 Ų61.251%0.50933%0.325SS..EExtended strand (participates in β ladder)trans-111.1122.8-173.7-173.30000108.1H396H396-V398 HydrophobicContact CB-CG2 4.17Å
399C94.6Very high85.6Confident12 Ų1263.7 Ų63.78%0.08135%0.348CS..PPolyproline II helixtrans-63.2136.1172-176.30000108.3F235 F288 F300 F302 P368F235-C399 VanDerWaalsContact CE1-SG 3.59Å; F288-C399 HydrophobicContact CE2-CB 4.31Å; F288-C399 VanDerWaalsContact CZ-SG 3.57Å; F300-C399 HydrophobicContact CD1-CB 3.88Å; F300-C399 VanDerWaalsContact CD1-SG 3.58Å; F300-C399 HydrophobicContact CE1-CB 4.22Å; F302-C399 HydrophobicContact CZ-CB 4.27Å; P368-C399 HydrophobicContact CB-CB 3.93Å; P368-C399 WeakPolarHBondContact O-CB 3.44Å; P368-C399 PolarHBondContact O-N 3.46Å
400P93Very high82.7Confident39 Ų3967.1 Ų67.125%0.25336%0.361SS..PPolyproline II helixtrans-52.7158168.3-24.334.1000111.3I236 F288 Y402I236-P400 WeakPolarHBondContact O-CB 3.36Å; F288-P400 HydrophobicContact CD1-CG 3.75Å; F288-P400 HydrophobicContact CE1-CG 4.33Å; F288-P400 HydrophobicContact CG-CG 4.33Å; P400-Y402 PolarHBondContact O-N 2.74Å
401P93.9Very high79.5Confident100 Ų10071.7 Ų71.765%0.64940%0.399SS*.PPolyproline II helixtrans-51.6132.4173.3-22.732.7000109.9I236I236-P401 WeakPolarHBondContact CA-O 3.48Å; I236-P401 HydrophobicContact CB-CB 4.45Å; I236-P401 VanDerWaalsContact CB-O 3.27Å; I236-P401 WeakPolarHBondContact CB-O 3.47Å; I236-P401 WeakPolarHBondContact CG1-O 3.06Å; I236-P401 PolarHBondContact N-O 2.74Å
402Y93.1Very high76.4Confident83 Ų8375 Ų7533%0.32542%0.419SS..EExtended strand (participates in β ladder)trans-121.9159.7173.864.6-89.7000110.7M234 V295 F300 P368 P400 E404M234-Y402 CarbonylContact O-C 3.12Å; M234-Y402 WeakPolarHBondContact O-CA 3.42Å; M234-Y402 VanDerWaalsContact O-CB 3.32Å; M234-Y402 WeakPolarHBondContact O-CB 3.41Å; V295-Y402 HydrophobicContact CB-CD2 4.38Å; V295-Y402 HydrophobicContact CB-CE2 4.41Å; V295-Y402 HydrophobicContact CG1-CD2 3.83Å; V295-Y402 HydrophobicContact CG1-CE2 3.47Å; V295-Y402 VanDerWaalsContact CG1-CE2 3.47Å; V295-Y402 HydrophobicContact CG2-CD2 3.56Å; V295-Y402 HydrophobicContact CG2-CE2 3.99Å; V295-Y402 HydrophobicContact CG2-CG 3.93Å; F300-Y402 HydrophobicContact CE1-CD1 4.49Å; F300-Y402 HydrophobicContact CE1-CE1 4.26Å; F300-Y402 HydrophobicContact CZ-CE1 4.29Å; P368-Y402 HydrophobicContact CB-CE1 4.12Å; P400-Y402 PolarHBondContact O-N 2.74Å; Y402-E404 HydrophobicContact CE2-CG 4.46Å
403R90.4Very high73Confident56 Ų5681.3 Ų81.321%0.21146%0.459CS..EExtended strand (participates in β ladder)trans-130.4133.3176.7-164.6176.5-60.4122.714.6109.6G211 E216 D233 M234G211-R403 WeakPolarHBondContact O-CD 3.37Å; G211-R403 PolarHBondContact O-NE 3.29Å; G211-R403 PolarHBondContact O-NH1 2.92Å; E216-R403 IonicContact OE1-CZ 2.64Å; E216-R403 IonicContact OE1-NH1 2.76Å; E216-R403 PolarHBondContact OE1-NH1 3.36Å; E216-R403 IonicContact OE1-NH2 2.8Å; E216-R403 PolarHBondContact OE1-NH2 3.32Å; E216-R403 IonicContact OE2-CZ 2.67Å; E216-R403 IonicContact OE2-NH1 3.2Å; E216-R403 IonicContact OE2-NH2 3.9Å; E216-R403 PolarHBondContact OE2-NH2 2.93Å; D233-R403 WeakPolarHBondContact CA-O 3.5Å; M234-R403 HydrophobicContact CG-CB 3.83Å; M234-R403 WeakPolarHBondContact CG-O 3.39Å; M234-R403 PolarHBondContact N-O 2.69Å; M234-R403 PolarHBondContact O-N 3.45Å; M234-R403 HydrophobicContact SD-CB 4.36Å
404E86.3Confident69.8Low97 Ų9786 Ų8645%0.45349%0.492SS..  trans-84.8149.9171.9-64.1174.6-133.700109.5D233 V295 H296 Y402D233-E404 VanDerWaalsContact OD1-CA 3.31Å; D233-E404 WeakPolarHBondContact OD1-CA 3.44Å; V295-E404 HydrophobicContact CG1-CG 4.23Å; H296-E404 IonicContact CE1-OE2 2.67Å; H296-E404 IonicContact NE2-OE1 3.34Å; H296-E404 IonicContact NE2-OE2 2.76Å; H296-E404 PolarHBondContact NE2-OE2 2.94Å; H296-E404 VanDerWaalsContact NE2-OE2 3.08Å; Y402-E404 HydrophobicContact CE2-CG 4.46Å
405P72.4Confident66.6Low48 Ų4889.3 Ų89.331%0.31251%0.512SS..  trans-59.6142.9177.822.8-30.4000110.5A231 D233 S407A231-P405 HydrophobicContact CB-CG 4.36Å; D233-P405 WeakPolarHBondContact OD1-CD 3.46Å; P405-S407 PolarHBondContact O-N 3.14Å
406E66.9Low63.2Low151 Ų15196.4 Ų96.471%0.70656%0.555SS**  trans-60.9104.4175.1-72.9-175.5163.800109.8
407S53.6Low59.9Low62 Ų6297.2 Ų97.243%0.43458%0.575SS.*  trans-64.2138.3168.863.60000109.1P405 S409P405-S407 PolarHBondContact O-N 3.14Å; S407-S409 PolarHBondContact O-N 2.89Å
408P44.3Very low57.1Low144 Ų144102.4 Ų102.494%0.93561%0.609SS**THydrogen-bonded Turntrans-61.66174.1-21.932000115.5
409S39.3Very low53.8Low97 Ų97109.8 Ų109.868%0.67863%0.629SS**THydrogen-bonded Turntrans-15054.3-168.353.70000113.7S407S407-S409 PolarHBondContact O-N 2.89Å
410K36.6Very low50.5Low187 Ų187113.3 Ų113.381%0.81365%0.654SS**  trans-135.264.4153-72.1-171.3-177168.80110.9
411A32.2Very low47.2Very low96 Ų96117.7 Ų117.779%0.79368%0.675SS**  trans-60.3132.8147.800000107.4T413A411-T413 PolarHBondContact O-N 3.23Å
412S32.8Very low43.9Very low109 Ų109118.9 Ų118.976%0.76268%0.676SS**SBendtrans-42.5128178.957.60000113.3
413T27.5Very low40.7Very low140 Ų140122.7 Ų122.786%0.85970%0.697SS**  trans-176.9152.313520.70000112.5A411A411-T413 PolarHBondContact O-N 3.23Å
414S30.1Very low37.7Very low110 Ų110127.2 Ų127.277%0.76973%0.725SS**  trans-59.6156.5-177.647.60000116.6
415H30.1Very low34.9Very low185 Ų185129.5 Ų129.586%0.85674%0.74SS**  trans-34.5131172.7-66.8-67.9000117.9
416T25.1Very low32.7Very low150 Ų150134.2 Ų134.292%0.9276%0.763SS**  -171.9150.6117.44.90000111.2
417A25.8Very low30.8Very low91 Ų91132.1 Ų132.175%0.75276%0.757SS**  trans-97.3-172.2-175.200000112.6
418P36.4Very low29.6Very low110 Ų110134.9 Ų134.971%0.71478%0.776SS**  -123.1161.4-81.336.1-20.4000112.6
419Y25Very low28.8Very low239 Ų239139.1 Ų139.194%0.93777%0.773SS**  trans-141.2147.5161.3-95.1-81000110.9
420S25.3Very low28.2Very low85 Ų85138.5 Ų138.559%0.59478%0.783SS**  trans-97.2178.3-156.454.20000114.8
421D24Very low27.7Very low131 Ų131140.6 Ų140.670%0.70179%0.786SS**  trans82.7136.4158.3-52.7-15.9000115.6
422D25.4Very low27.5Very low126 Ų126146.5 Ų146.567%0.67479%0.794SS**  cis-164.4155.1-1.8-103.9-30.7000108.3
423E26.4Very low27.1Very low163 Ų163144.7 Ų144.776%0.76279%0.793SS**  trans26.7129.4144-54.8-178.6155.500120.7
424D26.5Very low27Very low151 Ų151142.8 Ų142.881%0.80779%0.791SS**  -177.7151.192.4-116.9-28.5000115.2
425D26.5Very low26.7Very low144 Ų144146.4 Ų146.477%0.7780%0.801SS**  trans-60.6154.4-175.8-80.6-42000116.8
426N27.1Very low26.6Very low147 Ų147149.5 Ų149.579%0.78681%0.805SS**  166.7138.786.8-154.73.8000114.3
427D27.3Very low26.5Very low107 Ų107146 Ų14657%0.57280%0.798SS**  trans-30.3149.8167.9-154.11.6000118.7
428S27.7Very low26.5Very low121 Ų121149.5 Ų149.585%0.84680%0.802SS**  179.5121.3120.1-76.70000113.6
429R27.5Very low25.8Very low232 Ų232150.8 Ų150.888%0.87580%0.804SS**  trans-64150.4179.1-67.3163.9164.4170.5-3.1115.8
430G27.7Very low25.9Very low85 Ų85147.2 Ų147.288%0.87680%0.797SS**  trans-148.3120.6158.300000111.1
431R26.3Very low25.8Very low231 Ų231147.1 Ų147.187%0.87280%0.797SS**  trans-115.8130.2-159.8179.3-166.6-158.1-173.76.7110.6
432F26.4Very low25.8Very low219 Ų219146 Ų14696%0.96180%0.799SS**  trans-171.3115.8147.7-89.1-71.2000106.4
433G25.5Very low26Very low72 Ų72145.4 Ų145.474%0.74280%0.795SS**  112.882.969.300000108.2
434A25.1Very low26Very low100 Ų100144.9 Ų144.983%0.82680%0.798SS**  79.592.9104.300000115.6
435L24.8Very low26.2Very low185 Ų185143.5 Ų143.597%0.96980%0.8SS**  trans-135.683.6144.9-92.4161.3000107.1
436R26.6Very low26.4Very low251 Ų251140.3 Ų140.395%0.94779%0.789SS**  trans-78.5140.2168.1-103.6-176.6174.9-163.6-2.1108.2
437G23.9Very low27Very low75 Ų75143 Ų14377%0.77379%0.788SS**  trans172.923.6164.200000120.4
438I24.3Very low27.4Very low165 Ų165138.4 Ų138.485%0.84676%0.764SS**  trans-138.7121.8154.3-54.9-179.3000108.3M440I438-M440 PolarHBondContact O-N 2.72Å
439N22.6Very low27.8Very low138 Ų138137 Ų13774%0.73875%0.752SS**  trans-83.1102.5-171.6-152.212.4000108.9S441N439-S441 VanDerWaalsContact C-N 3.26Å; N439-S441 PolarHBondContact O-N 3.28Å; N439-S441 PolarHBondContact OD1-OG 3.04Å
440M27.2Very low28.5Very low163 Ų163128.7 Ų128.780%0.80372%0.723SS**  trans-8926.3173.5-76.3-146.8-69.300113.1I438 S442I438-M440 PolarHBondContact O-N 2.72Å; M440-S442 VanDerWaalsContact C-N 3.29Å; M440-S442 PolarHBondContact O-N 3.43Å
441S22.6Very low28.8Very low84 Ų84129 Ų12959%0.58770%0.7SS**THydrogen-bonded Turntrans-89.329.9-17869.40000114N439N439-S441 VanDerWaalsContact C-N 3.26Å; N439-S441 PolarHBondContact O-N 3.28Å; N439-S441 PolarHBondContact OD1-OG 3.04Å
442S24.5Very low29.1Very low107 Ų107124.1 Ų124.175%0.74870%0.696SS**THydrogen-bonded Turntrans-132.617.7178.777.10000114.9M440M440-S442 VanDerWaalsContact C-N 3.29Å; M440-S442 PolarHBondContact O-N 3.43Å
443L30Very low29.2Very low113 Ų113119.4 Ų119.459%0.59268%0.682SS**  trans-110.2-9175.7-80.9160.7000114S445 S446L443-S445 PolarHBondContact O-N 3.5Å; L443-S445 VanDerWaalsContact O-N 3.1Å; L443-S446 PolarHBondContact O-N 2.86Å; L443-S446 PolarHBondContact O-OG 2.87Å
444D25.8Very low29.4Very low153 Ų153121.8 Ų121.882%0.81868%0.679SS**THydrogen-bonded Turntrans-62.2113.8167.7-75.9-27.1000109
445S30Very low29.6Very low122 Ų122123.1 Ų123.185%0.85367%0.671SS**THydrogen-bonded Turntrans94.220.6-179.6970000119L443 R447L443-S445 PolarHBondContact O-N 3.5Å; L443-S445 VanDerWaalsContact O-N 3.1Å; S445-R447 VanDerWaalsContact C-N 3.3Å; S445-R447 PolarHBondContact O-N 3.22Å
446S30.8Very low29.9Very low77 Ų77119.4 Ų119.454%0.53865%0.654SS.*  trans-82.866.7176.344.90000113.3L443 C448L443-S446 PolarHBondContact O-N 2.86Å; L443-S446 PolarHBondContact O-OG 2.87Å; S446-C448 PolarHBondContact O-N 3.46Å
447R39.8Very low30.1Very low204 Ų204111.2 Ų111.277%0.7764%0.635SS**  trans-56.5137.4150.5-80.2-176.6176.7-170.9-2.5106.6S445 P449S445-R447 VanDerWaalsContact C-N 3.3Å; S445-R447 PolarHBondContact O-N 3.22Å; R447-P449 VanDerWaalsContact O-N 3.15Å
448C37.3Very low30.5Very low10 Ų10113.6 Ų113.67%0.06863%0.626CS.*  trans-43129.6164-92.70000107.5F301 C362 S446 K450F301-C448 WeakPolarHBondContact CE2-SG 3.48Å; F301-C448 WeakPolarHBondContact CZ-SG 3.47Å; C362-C448 HydrophobicContact CB-CB 4.37Å; C362-C448 WeakPolarHBondContact CB-SG 3.25Å; C362-C448 WeakPolarHBondContact SG-CB 3.32Å; C362-C448 CovalentContact SG-SG 2.05Å; C362-C448 PolarHBondContact SG-SG 3.14Å; S446-C448 PolarHBondContact O-N 3.46Å; C448-K450 PolarHBondContact O-N 3.05Å
449P36.2Very low31Very low92 Ų92109.9 Ų109.960%0.59761%0.61SS**  trans-58.6100.8164.7-5.316.3000104.6R447 F451R447-P449 VanDerWaalsContact O-N 3.15Å; P449-F451 PolarHBondContact O-N 3.28Å
450K41.9Very low31.6Very low57 Ų57107.8 Ų107.825%0.24860%0.601CS.*  trans-63.198.7160.8-62.6-172.1-177.3-170.50101E337 V339 C448 T452E337-K450 IonicContact OE1-NZ 2.66Å; E337-K450 PolarHBondContact OE1-NZ 3.48Å; E337-K450 IonicContact OE2-NZ 3.75Å; E337-K450 PolarHBondContact OE2-NZ 3.35Å; V339-K450 HydrophobicContact CG2-CD 4.24Å; C448-K450 PolarHBondContact O-N 3.05Å; K450-T452 VanDerWaalsContact C-N 3.28Å; K450-T452 PolarHBondContact O-N 3.22Å
451F32.9Very low32Very low91 Ų91103.2 Ų103.240%0.39958%0.584SS.*  trans-51.1108.3172.1-72-83.7000103.8R325 P449R325-F451 PolarHBondContact NH2-O 3.4Å; P449-F451 PolarHBondContact O-N 3.28Å
452T32.3Very low32.8Very low128 Ų128104.9 Ų104.979%0.78558%0.583SS**  trans-90.90177.945.60000107.9R325 P342 K450R325-T452 PolarHBondContact NH2-OXT 2.94Å; P342-T452 WeakPolarHBondContact CD-OXT 3.47Å; K450-T452 VanDerWaalsContact C-N 3.28Å; K450-T452 PolarHBondContact O-N 3.22Å

Retrieved 452 of 452 residues in 510 ms (Link to these results)

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