A0A087YAF5_POEFO Loading...

Dihydropyrimidinase-related protein 2

AlphaFold DB , UniProt , Accession A0A087YAF5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 546 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
1M92.7Very high95.6Very high113 Ų11385.1 Ų85.156%0.55746%0.457SS*.  0148.20-61.8162-68.700107.3V5 A371 L373 I411M1-V5 WeakPolarHBondContact CA-O 3.46Å; M1-A371 HydrophobicContact CB-CB 4.02Å; M1-A371 HydrophobicContact CG-CB 3.92Å; M1-A371 HydrophobicContact SD-CB 3.73Å; M1-L373 HydrophobicContact CE-CD1 4.5Å; M1-L373 HydrophobicContact CG-CD1 4.48Å; M1-L373 HydrophobicContact SD-CD1 3.41Å; M1-L373 WeakPolarHBondContact SD-CD1 3.39Å; M1-L373 HydrophobicContact SD-CG 4.32Å; M1-I411 HydrophobicContact CE-CD1 3.51Å; M1-I411 HydrophobicContact CE-CG2 4.39Å; M1-I411 HydrophobicContact SD-CD1 4.19Å; M1-I411 HydrophobicContact SD-CG2 4.3Å
2E94.1Very high95.5Very high111 Ų11191.8 Ų91.852%0.51949%0.492SS..BIsolated β-bridgetrans-149.8138.5-177.7-172.7-176.5-16000108.6G4 V5 K7E2-G4 PolarHBondContact O-N 3.27Å; E2-V5 PolarHBondContact N-O 3.32Å; E2-V5 PolarHBondContact O-N 3.49Å; E2-K7 HydrophobicContact CB-CD 4.41Å; E2-K7 HydrophobicContact CB-CG 3.63Å; E2-K7 WeakPolarHBondContact OE2-CE 3.47Å
3D94.1Very high95.3Very high140 Ų14090.4 Ų90.475%0.74948%0.484SS*.THydrogen-bonded Turntrans50.538.3-179-54.9-38.5000114.3V5D3-V5 VanDerWaalsContact C-N 3.27Å; D3-V5 PolarHBondContact O-N 3.45Å
4G95.9Very high94.9Very high14 Ų1494.6 Ų94.614%0.14450%0.504CS..THydrogen-bonded Turntrans72.315.3-179.900000115.2E2 A371 Q413E2-G4 PolarHBondContact O-N 3.27Å; G4-A371 WeakPolarHBondContact O-CB 3.39Å; G4-A371 PolarHBondContact O-N 3.23Å; G4-Q413 VanDerWaalsContact CA-C 3.48Å; G4-Q413 WeakPolarHBondContact CA-O 3.43Å
5V98Very high94.5Very high39 Ų3993.9 Ų93.924%0.23651%0.505CS..BIsolated β-bridgetrans-128147.8-178.6179.80000111.2M1 E2 D3 K7 S369M1-V5 WeakPolarHBondContact CA-O 3.46Å; E2-V5 PolarHBondContact N-O 3.32Å; E2-V5 PolarHBondContact O-N 3.49Å; D3-V5 VanDerWaalsContact C-N 3.27Å; D3-V5 PolarHBondContact O-N 3.45Å; V5-K7 PolarHBondContact O-N 2.87Å; V5-S369 WeakPolarHBondContact CG1-O 3.39Å
6I98.1Very high94.1Very high7 Ų793.9 Ų93.94%0.03651%0.511CS..  trans-75.3110.3170.5-57.5173.3000108.6I365 A366 V367 G368 S369 A371 L373I6-I365 HydrophobicContact CD1-CB 4.46Å; I6-I365 HydrophobicContact CD1-CG2 3.97Å; I6-A366 WeakPolarHBondContact CB-O 3.35Å; I6-V367 CarbonylContact O-C 3.59Å; I6-V367 WeakPolarHBondContact O-CA 3.44Å; I6-G368 PolarHBondContact O-N 3.32Å; I6-S369 PolarHBondContact N-O 3.34Å; I6-A371 HydrophobicContact CG1-CB 4.37Å; I6-L373 HydrophobicContact CD1-CD2 4.11Å
7K96.4Very high93.8Very high95 Ų9593.1 Ų93.141%0.41353%0.53SS..  trans-90.1-38.4-178.1-66.2-65.4-170.4171.80114.4E2 V5 V367E2-K7 HydrophobicContact CB-CD 4.41Å; E2-K7 HydrophobicContact CB-CG 3.63Å; E2-K7 WeakPolarHBondContact OE2-CE 3.47Å; V5-K7 PolarHBondContact O-N 2.87Å; K7-V367 WeakPolarHBondContact O-CG1 3.41Å
8Q95.4Very high93.5Very high109 Ų10993.1 Ų93.151%0.50955%0.553SS.*  trans-139.2146.3-175.5-62.6-174.146.800108.9L13Q8-L13 HydrophobicContact CB-CD1 4.12Å; Q8-L13 HydrophobicContact CB-CD2 4.13Å
9L96.3Very high93.5Very high111 Ų11191.8 Ų91.858%0.58155%0.547SS*.  trans-145.7127.4175.6-176.269.7000107.4I365 V367L9-I365 HydrophobicContact CD1-CG2 4.05Å; L9-I365 HydrophobicContact CD2-CG2 4.4Å; L9-V367 HydrophobicContact CB-CG2 4.3Å
10G95.3Very high93.5Very high46 Ų4693.7 Ų93.747%0.47455%0.547SS..SBendtrans154.2-178.9-176.300000111.6L13G10-L13 WeakPolarHBondContact O-CG 3.41Å
11D95.8Very high93.5Very high151 Ų15195.1 Ų95.181%0.80755%0.552SS**SBendtrans-85.9148.6179.8-57.6-40.9000111.4L13D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 2.98Å
12N93.3Very high93.6Very high165 Ų16592.1 Ų92.188%0.88254%0.537SS*.SBendtrans51.146.4173.5-55.9-56.6000113.7I14N12-I14 PolarHBondContact O-N 3.18Å
13L94Very high93.6Very high74 Ų7494.1 Ų94.139%0.38755%0.546SS..  trans-59.7136.1-177.6-60.3-179.6000111.8Q8 G10 D11 V15Q8-L13 HydrophobicContact CB-CD1 4.12Å; Q8-L13 HydrophobicContact CB-CD2 4.13Å; G10-L13 WeakPolarHBondContact O-CG 3.41Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 2.98Å; L13-V15 HydrophobicContact CB-CG1 4.36Å; L13-V15 PolarHBondContact O-N 3Å
14I89.4Confident93.6Very high149 Ų14989.1 Ų89.176%0.76453%0.525SS*.  trans-81.4108171.2-58.7172.6000107.6N12N12-I14 PolarHBondContact O-N 3.18Å
15V88.3Confident93.5Very high84 Ų8496.7 Ų96.751%0.50956%0.556SS.*  trans-105.7140.7179.7-64.90000111.1L13 V19L13-V15 HydrophobicContact CB-CG1 4.36Å; L13-V15 PolarHBondContact O-N 3Å; V15-V19 HydrophobicContact CB-CG2 4.08Å; V15-V19 HydrophobicContact CG2-CG2 3.92Å
16P88Confident93.2Very high94 Ų9497.4 Ų97.461%0.6157%0.571SS**  trans-57.3155.6169.6-22.533.2000111.8V19P16-V19 WeakPolarHBondContact O-CG1 3.42Å; P16-V19 WeakPolarHBondContact O-CG2 3.38Å
17G89.3Confident93.1Very high81 Ų81101.4 Ų101.484%0.83559%0.586SS**THydrogen-bonded Turntrans-65.3153.8172.900000112.5
18G88.7Confident93.1Very high92 Ų9299.1 Ų99.195%0.94858%0.577SS**THydrogen-bonded Turntrans81.110.1176.700000115.4
19V93.2Very high93.2Very high70 Ų7097.6 Ų97.642%0.42458%0.575SS.*PPolyproline II helixtrans-77.5141.5174.2-64.40000111.3V15 P16 I21V15-V19 HydrophobicContact CB-CG2 4.08Å; V15-V19 HydrophobicContact CG2-CG2 3.92Å; P16-V19 WeakPolarHBondContact O-CG1 3.42Å; P16-V19 WeakPolarHBondContact O-CG2 3.38Å; V19-I21 HydrophobicContact CG2-CG1 4.39Å; V19-I21 PolarHBondContact O-N 3.02Å
20K93.3Very high93.3Very high129 Ų12992.6 Ų92.656%0.56155%0.549SS*.PPolyproline II helixtrans-71.6125.3167.5-179.2163.9176.3177.30109I416 E419K20-I416 HydrophobicContact CD-CD1 3.51Å; K20-I416 HydrophobicContact CG-CD1 4.31Å; K20-I416 VanDerWaalsContact NZ-CD1 3.31Å; K20-E419 WeakPolarHBondContact CE-OE1 3.31Å; K20-E419 IonicContact NZ-OE1 2.77Å; K20-E419 PolarHBondContact NZ-OE1 3.16Å; K20-E419 IonicContact NZ-OE2 3.8Å; K20-E419 PolarHBondContact NZ-OE2 3.01Å
21I93.9Very high93.5Very high124 Ų12490.9 Ų90.964%0.63653%0.529SS*.PPolyproline II helixtrans-99.4132.9175.7-59.4175.5000107.7V19V19-I21 HydrophobicContact CG2-CG1 4.39Å; V19-I21 PolarHBondContact O-N 3.02Å
22I94.9Very high93.6Very high50 Ų5083.9 Ų83.926%0.25649%0.493SS..  trans-114.3118.8175.8-54.4167.9000106.5A24 L375 V409 I411 I416I22-A24 PolarHBondContact O-N 3.27Å; I22-L375 HydrophobicContact CG2-CD2 4.12Å; I22-V409 HydrophobicContact CD1-CG1 4.33Å; I22-V409 HydrophobicContact CG2-CG1 4.5Å; I22-V409 HydrophobicContact CG2-CG2 4.14Å; I22-I411 HydrophobicContact CD1-CD1 3.62Å; I22-I411 HydrophobicContact CD1-CG1 4.49Å; I22-I416 HydrophobicContact CD1-CD1 3.63Å; I22-I416 HydrophobicContact CD1-CG1 3.95Å; I22-I416 HydrophobicContact CG1-CD1 4Å
23E93.8Very high93.9Very high152 Ų15276 Ų7671%0.7145%0.451SS*.  trans-73.2123.9177.6-72.7-61.514700110.5L375E23-L375 WeakPolarHBondContact O-CD2 3.34Å
24A95Very high94.1Very high36 Ų3672.5 Ų72.530%0.29843%0.432SS..  trans-119.514.5-176.100000113I22 G26 R27 V29 L375I22-A24 PolarHBondContact O-N 3.27Å; A24-G26 PolarHBondContact O-N 2.84Å; A24-R27 WeakPolarHBondContact O-CB 3.44Å; A24-R27 PolarHBondContact O-N 2.92Å; A24-R27 VanDerWaalsContact O-N 3.1Å; A24-V29 HydrophobicContact CB-CG2 4.17Å; A24-L375 HydrophobicContact CB-CD1 3.46Å; A24-L375 VanDerWaalsContact CB-CD1 3.46Å; A24-L375 HydrophobicContact CB-CD2 4.44Å
25H93.1Very high94.6Very high173 Ų17365.4 Ų65.480%0.80140%0.396SS*.THydrogen-bonded Turntrans-61128.5-177-174.378000111.8R27H25-R27 PolarHBondContact O-N 3.43Å
26G91.2Very high95.1Very high53 Ų5361.4 Ų61.455%0.54637%0.372SS..THydrogen-bonded Turntrans6719.1-178.300000113.9A24A24-G26 PolarHBondContact O-N 2.84Å
27R95.5Very high95.6Very high91 Ų9157 Ų5734%0.34334%0.343SS..SBendtrans-125.5164.8179.8-57.1-61176.7-109.615.8110.1A24 H25 L375 D377 L408A24-R27 WeakPolarHBondContact O-CB 3.44Å; A24-R27 PolarHBondContact O-N 2.92Å; A24-R27 VanDerWaalsContact O-N 3.1Å; H25-R27 PolarHBondContact O-N 3.43Å; R27-L375 HydrophobicContact CB-CD1 3.56Å; R27-L375 HydrophobicContact CB-CG 3.95Å; R27-L375 HydrophobicContact CG-CD1 4.43Å; R27-L375 HydrophobicContact CG-CG 4.41Å; R27-D377 VanDerWaalsContact CZ-CG 3.43Å; R27-D377 IonicContact CZ-OD1 3.75Å; R27-D377 IonicContact CZ-OD2 2.89Å; R27-D377 VanDerWaalsContact NE-CG 3.3Å; R27-D377 IonicContact NE-OD1 3.77Å; R27-D377 IonicContact NE-OD2 3.94Å; R27-D377 PolarHBondContact NE-OD2 2.62Å; R27-D377 VanDerWaalsContact NE-OD2 3.1Å; R27-D377 IonicContact NH1-OD1 2.69Å; R27-D377 IonicContact NH2-OD1 2.86Å; R27-D377 IonicContact NH2-OD2 3.76Å; R27-D377 PolarHBondContact NH2-OD2 3.03Å; R27-L408 HydrophobicContact CG-CD1 4.22Å
28M97.4Very high96.1Very high47 Ų4753.1 Ų53.123%0.23230%0.303CS..EExtended strand (participates in β ladder)trans-105.2133.3179.5-54.8-17972.300109.9M30 W330 E341 L375 W376M28-M30 HydrophobicContact CB-CE 4.2Å; M28-M30 HydrophobicContact CB-CG 4.26Å; M28-M30 HydrophobicContact CE-SD 4.41Å; M28-W330 HydrophobicContact CE-CH2 4.29Å; M28-W330 HydrophobicContact SD-CH2 3.45Å; M28-W330 WeakPolarHBondContact SD-CH2 3.42Å; M28-W330 HydrophobicContact SD-CZ2 4.3Å; M28-W330 HydrophobicContact SD-CZ3 4.16Å; M28-E341 HydrophobicContact CE-CB 3.3Å; M28-E341 HydrophobicContact CE-CG 3.5Å; M28-E341 VanDerWaalsContact CE-CG 3.5Å; M28-E341 HydrophobicContact SD-CB 4.43Å; M28-L375 WeakPolarHBondContact O-CA 3.19Å; M28-W376 HydrophobicContact CB-CB 4.32Å; M28-W376 PolarHBondContact N-O 2.96Å; M28-W376 PolarHBondContact O-N 3.36Å
29V98.3Very high96.5Very high77 Ų7749.9 Ų49.947%0.46726%0.262SS..EExtended strand (participates in β ladder)trans-98.9115.9169.7-169.60000107.5A24 I365 L373 L375A24-V29 HydrophobicContact CB-CG2 4.17Å; V29-I365 HydrophobicContact CB-CD1 4.23Å; V29-I365 HydrophobicContact CG1-CD1 3.77Å; V29-I365 WeakPolarHBondContact O-CD1 3.46Å; V29-L373 HydrophobicContact CG1-CD1 4.29Å; V29-L375 HydrophobicContact CG2-CD1 3.94Å
30M98.4Very high96.8Very high6 Ų646.5 Ų46.53%0.0324%0.242CC..EExtended strand (participates in β ladder)trans-125.5156.1-176.8-64.6-168.9-84.400111M28 W330 F344 V345 L373 V374 W376M28-M30 HydrophobicContact CB-CE 4.2Å; M28-M30 HydrophobicContact CB-CG 4.26Å; M28-M30 HydrophobicContact CE-SD 4.41Å; M30-W330 HydrophobicContact CE-CE3 4.45Å; M30-W330 HydrophobicContact CE-CZ3 3.98Å; M30-W330 HydrophobicContact SD-CZ3 4.43Å; M30-F344 HydrophobicContact CE-CD1 4.2Å; M30-F344 HydrophobicContact CE-CE1 3.85Å; M30-F344 HydrophobicContact SD-CD1 3.8Å; M30-F344 HydrophobicContact SD-CE1 3.94Å; M30-V345 HydrophobicContact CB-CG2 4.11Å; M30-V345 HydrophobicContact CG-CG2 3.9Å; M30-V345 HydrophobicContact SD-CG2 3.55Å; M30-V345 VanDerWaalsContact SD-CG2 3.55Å; M30-L373 WeakPolarHBondContact O-CA 3.46Å; M30-V374 PolarHBondContact N-O 3.16Å; M30-V374 PolarHBondContact O-N 2.88Å; M30-W376 HydrophobicContact CE-CB 3.23Å; M30-W376 HydrophobicContact CE-CD2 3.84Å; M30-W376 HydrophobicContact CE-CE3 4.48Å; M30-W376 HydrophobicContact CE-CG 3.25Å
31P98.8Very high97Very high11 Ų1141.5 Ų41.57%0.07122%0.22CC..EExtended strand (participates in β ladder)trans-57.2142.3165.8-17.229.9000109.8V345 I365P31-V345 HydrophobicContact CG-CG1 3.93Å; P31-I365 HydrophobicContact CG-CG1 4.01Å
32G98.8Very high97.1Very high3 Ų336.1 Ų36.13%0.03119%0.193CC..PPolyproline II helixtrans-60.2146.7171.300000112.2T66 S349 D372G32-T66 WeakPolarHBondContact CA-OG1 3.32Å; G32-S349 WeakPolarHBondContact O-CB 3.35Å; G32-D372 PolarHBondContact N-O 3.1Å
33G98.9Very high97Very high0 Ų035.9 Ų35.90%019%0.194CC..EExtended strand (participates in β ladder)trans-61.3147.7-179.600000111.9G64 T65 T66 M67G33-G64 PolarHBondContact N-O 2.72Å; G33-T65 CarbonylContact O-C 3.46Å; G33-T65 WeakPolarHBondContact O-CA 3.43Å; G33-T65 WeakPolarHBondContact O-CG2 3.16Å; G33-T66 PolarHBondContact O-N 3.32Å; G33-M67 PolarHBondContact O-N 3.32Å
34I98.9Very high96.9Very high1 Ų130.5 Ų30.51%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-114.9111.5170-52.5-179.8000107.4V36 M67 R325 T348 S349 A352 A353 K362I34-V36 HydrophobicContact CG2-CG1 4.16Å; I34-M67 CarbonylContact C-O 3.58Å; I34-M67 WeakPolarHBondContact CA-O 3.34Å; I34-M67 HydrophobicContact CG1-CB 4.32Å; I34-M67 HydrophobicContact CG2-CB 4.34Å; I34-M67 HydrophobicContact CG2-CG 4.3Å; I34-M67 HydrophobicContact CG2-SD 4.46Å; I34-R325 PolarHBondContact O-NH1 3.47Å; I34-T348 PolarHBondContact N-O 3.18Å; I34-S349 WeakPolarHBondContact CD1-O 3.34Å; I34-A352 HydrophobicContact CB-CB 4.04Å; I34-A352 HydrophobicContact CD1-CB 4.49Å; I34-A352 HydrophobicContact CG2-CB 4.01Å; I34-A353 HydrophobicContact CD1-CB 3.81Å; I34-K362 HydrophobicContact CD1-CB 3.83Å
35D98.9Very high96.6Very high0 Ų036.7 Ų36.70%019%0.186CC..EExtended strand (participates in β ladder)trans-90.3112.9174.3-169-8.6000109.1H37 T38 T65 M67 I68 I69 G294 S295 T322D35-H37 VanDerWaalsContact C-N 3.34Å; D35-H37 PolarHBondContact OD1-N 3.42Å; D35-T38 HydrophobicContact CB-CG2 4.38Å; D35-T65 HydrophobicContact CB-CG2 3.72Å; D35-M67 PolarHBondContact N-O 3.31Å; D35-I68 HydrophobicContact CB-CG2 4.27Å; D35-I68 CarbonylContact O-C 3.54Å; D35-I68 VanDerWaalsContact O-CA 3.27Å; D35-I68 WeakPolarHBondContact O-CA 3.38Å; D35-I69 PolarHBondContact O-N 2.83Å; D35-G294 WeakPolarHBondContact OD1-CA 3.03Å; D35-S295 VanDerWaalsContact CG-OG 3.25Å; D35-S295 PolarHBondContact OD1-N 3.4Å; D35-S295 PolarHBondContact OD1-OG 2.64Å; D35-S295 WeakPolarHBondContact OD2-CB 3.47Å; D35-S295 PolarHBondContact OD2-OG 2.74Å; D35-T322 PolarHBondContact OD2-OG1 3.01Å
36V98.6Very high96.5Very high0 Ų032.7 Ų32.70%019%0.192CC..EExtended strand (participates in β ladder)trans-91.11.5-169.6-66.20000113.5I34 I69 H102 Y215 E241 V292 A352 F356I34-V36 HydrophobicContact CG2-CG1 4.16Å; V36-I69 CarbonylContact C-O 3.51Å; V36-I69 HydrophobicContact CG1-CD1 4.21Å; V36-H102 PolarHBondContact O-CD2 2.64Å; V36-H102 PolarHBondContact O-NE2 2.94Å; V36-Y215 WeakPolarHBondContact CG2-OH 3.24Å; V36-E241 HydrophobicContact CG2-CG 4.28Å; V36-E241 WeakPolarHBondContact CG2-OE2 3.29Å; V36-V292 HydrophobicContact CB-CG1 4.37Å; V36-V292 HydrophobicContact CG1-CG1 3.91Å; V36-V292 HydrophobicContact CG2-CG1 3.55Å; V36-A352 HydrophobicContact CG1-CB 3.34Å; V36-F356 HydrophobicContact CB-CE2 3.92Å; V36-F356 HydrophobicContact CG1-CD2 3.98Å; V36-F356 HydrophobicContact CG1-CE2 3.65Å
37H98.8Very high96.6Very high0 Ų031.7 Ų31.70%017%0.173CC..EExtended strand (participates in β ladder)trans-147.493.4-176.4-161.3147.6000109.8D35 H71 E241 S295 A296 H297D35-H37 VanDerWaalsContact C-N 3.34Å; D35-H37 PolarHBondContact OD1-N 3.42Å; H37-H71 AromaticContact CD2-CD2 3.51Å; H37-H71 AromaticContact CD2-NE2 3.54Å; H37-H71 AromaticContact CE1-NE2 3.92Å; H37-H71 AromaticContact CG-NE2 3.81Å; H37-H71 AromaticContact NE2-CD2 3.79Å; H37-H71 AromaticContact NE2-NE2 3.66Å; H37-E241 IonicContact CE1-OE1 3.73Å; H37-E241 IonicContact CG-OE1 3.74Å; H37-E241 IonicContact ND1-OE1 2.97Å; H37-E241 PolarHBondContact ND1-OE1 3.44Å; H37-S295 PolarHBondContact O-OG 3.19Å; H37-A296 WeakPolarHBondContact O-CA 3.45Å; H37-A296 PolarHBondContact O-N 3.45Å; H37-H297 PolarHBondContact O-N 2.81Å
38T98.8Very high96.7Very high0 Ų030.6 Ų30.60%018%0.177CC..EExtended strand (participates in β ladder)trans-126.7158.7171.261.80000110.5D35 F40 I68 I69 D70 H71 H297D35-T38 HydrophobicContact CB-CG2 4.38Å; T38-F40 HydrophobicContact CG2-CE1 4.44Å; T38-F40 HydrophobicContact CG2-CE2 3.86Å; T38-F40 HydrophobicContact CG2-CZ 3.73Å; T38-I68 HydrophobicContact CG2-CB 4.18Å; T38-I68 HydrophobicContact CG2-CG2 4.24Å; T38-I69 PolarHBondContact N-O 2.96Å; T38-D70 VanDerWaalsContact CB-OD2 3.26Å; T38-D70 WeakPolarHBondContact CB-OD2 3.49Å; T38-D70 WeakPolarHBondContact O-CA 3.35Å; T38-D70 WeakPolarHBondContact OG1-CA 3.5Å; T38-D70 WeakPolarHBondContact OG1-CB 3.31Å; T38-D70 PolarHBondContact OG1-OD2 3.47Å; T38-H71 PolarHBondContact O-N 2.94Å; T38-H297 HydrophobicContact CG2-CB 4.46Å
39R98.4Very high96.7Very high24 Ų2428.6 Ų28.69%0.09117%0.167CC..  trans-138.757.7176.1-62.7-178.8176.8-150.3-11.5109.8M42 D70 H71 Y131 H297 C298R39-M42 HydrophobicContact CB-CB 4.05Å; R39-M42 HydrophobicContact CB-CG 4.49Å; R39-M42 HydrophobicContact CB-SD 4.06Å; R39-M42 HydrophobicContact CG-SD 4.3Å; R39-M42 WeakPolarHBondContact O-CB 3.43Å; R39-D70 WeakPolarHBondContact CA-OD2 3.44Å; R39-D70 PolarHBondContact N-OD2 2.82Å; R39-H71 HydrophobicContact CG-CB 4.23Å; R39-Y131 PolarHBondContact NH2-OH 3.22Å; R39-H297 PolarHBondContact N-O 2.9Å; R39-C298 HydrophobicContact CB-CB 3.98Å
40F98.6Very high96.7Very high0 Ų026 Ų260%015%0.154CC..THydrogen-bonded Turntrans-70.8138.8-178.2-61.5-45.9000111.5T38 M42 D51 F53 G56 T57 I68 D70 H297 T322T38-F40 HydrophobicContact CG2-CE1 4.44Å; T38-F40 HydrophobicContact CG2-CE2 3.86Å; T38-F40 HydrophobicContact CG2-CZ 3.73Å; F40-M42 PolarHBondContact O-N 2.93Å; F40-D51 WeakPolarHBondContact CA-O 3.06Å; F40-D51 HydrophobicContact CD1-CB 4.47Å; F40-F53 HydrophobicContact CB-CD1 4.09Å; F40-F53 HydrophobicContact CB-CD2 4.3Å; F40-F53 HydrophobicContact CB-CE1 4.15Å; F40-F53 HydrophobicContact CB-CE2 4.36Å; F40-F53 HydrophobicContact CB-CG 4.15Å; F40-F53 HydrophobicContact CB-CZ 4.27Å; F40-F53 AromaticContact CD2-CD1 3.95Å; F40-F53 HydrophobicContact CD2-CD1 3.95Å; F40-F53 HydrophobicContact CD2-CE1 4.1Å; F40-G56 VanDerWaalsContact CE1-CA 3.42Å; F40-T57 HydrophobicContact CE2-CG2 4.11Å; F40-I68 HydrophobicContact CD2-CD1 4.14Å; F40-I68 HydrophobicContact CE2-CB 4.31Å; F40-I68 HydrophobicContact CE2-CD1 4.06Å; F40-I68 HydrophobicContact CE2-CG1 4.08Å; F40-I68 HydrophobicContact CE2-CG2 4.13Å; F40-D70 WeakPolarHBondContact CD2-OD2 3.48Å; F40-D70 PolarHBondContact N-OD2 3.39Å; F40-H297 AromaticContact CD1-CD2 3.94Å; F40-H297 HydrophobicContact CE1-CB 4.3Å; F40-H297 AromaticContact CE1-CD2 3.43Å; F40-H297 VanDerWaalsContact CE1-CD2 3.43Å; F40-H297 WeakPolarHBondContact CE1-CD2 3.37Å; F40-T322 HydrophobicContact CE1-CG2 4.34Å; F40-T322 HydrophobicContact CZ-CG2 4.21Å
41Q97.3Very high96.7Very high24 Ų2425.7 Ų25.711%0.11215%0.152CC..THydrogen-bonded Turntrans53.922.5-179.2-150.4-174.6-69.800113.9P43 V48 D51 D52 F53Q41-P43 WeakPolarHBondContact O-CD 3.38Å; Q41-V48 HydrophobicContact CB-CG1 4.43Å; Q41-V48 HydrophobicContact CG-CG1 3.77Å; Q41-D51 PolarHBondContact N-O 2.76Å; Q41-D52 HydrophobicContact CB-CB 4.02Å; Q41-D52 HydrophobicContact CG-CB 4Å; Q41-F53 HydrophobicContact CB-CD2 4.35Å
42M95.9Very high96.6Very high11 Ų1127 Ų275%0.05416%0.159CC..  trans-67.4127.6-177.7-174.5-158.875.300110.2R39 F40 D44 V48 A49 V73 F300R39-M42 HydrophobicContact CB-CB 4.05Å; R39-M42 HydrophobicContact CB-CG 4.49Å; R39-M42 HydrophobicContact CB-SD 4.06Å; R39-M42 HydrophobicContact CG-SD 4.3Å; R39-M42 WeakPolarHBondContact O-CB 3.43Å; F40-M42 PolarHBondContact O-N 2.93Å; M42-D44 HydrophobicContact CE-CB 3.95Å; M42-V48 WeakPolarHBondContact O-CA 3.49Å; M42-A49 HydrophobicContact CB-CB 4.43Å; M42-A49 PolarHBondContact O-N 2.93Å; M42-V73 HydrophobicContact CG-CG2 4.34Å; M42-V73 HydrophobicContact SD-CG2 4.19Å; M42-F300 HydrophobicContact CE-CZ 4.22Å
43P94.3Very high96.6Very high45 Ų4526.9 Ų26.929%0.29216%0.157SC..EExtended strand (participates in β ladder)trans-67138.6169.5-19.232.8000111.7Q41 M47 W90Q41-P43 WeakPolarHBondContact O-CD 3.38Å; P43-M47 CarbonylContact C-O 3.47Å; P43-M47 WeakPolarHBondContact CA-O 3.43Å; P43-W90 HydrophobicContact CG-CH2 4.12Å
44D91.8Very high96.6Very high39 Ų3930.2 Ų30.221%0.20917%0.171CC..EExtended strand (participates in β ladder)trans-143.7112171.7-178.264.1000110.1M42 G46 M47 F300M42-D44 HydrophobicContact CE-CB 3.95Å; D44-G46 PolarHBondContact O-N 3.31Å; D44-G46 VanDerWaalsContact O-N 3.08Å; D44-M47 PolarHBondContact N-O 3.3Å; D44-M47 WeakPolarHBondContact O-CA 3.26Å; D44-M47 VanDerWaalsContact O-CB 3.25Å; D44-M47 WeakPolarHBondContact O-CB 3.46Å; D44-M47 PolarHBondContact O-N 2.98Å; D44-F300 HydrophobicContact CB-CE1 4.06Å; D44-F300 HydrophobicContact CB-CZ 3.94Å
45R88.5Confident96.6Very high166 Ų16632.4 Ų32.463%0.62618%0.181SC*.THydrogen-bonded Turntrans48.740.9174.7-57.1-179.4-176.8-178.34.2114.3M47 T313 M314R45-M47 VanDerWaalsContact C-N 3.29Å; R45-M47 PolarHBondContact O-N 2.95Å; R45-T313 PolarHBondContact NH1-O 3.38Å; R45-T313 VanDerWaalsContact NH1-O 3.12Å; R45-M314 PolarHBondContact NH1-SD 2.87Å
46G89.8Confident96.6Very high89 Ų8932.4 Ų32.492%0.91818%0.181SC*.THydrogen-bonded Turntrans82.20.1-178.100000115.1D44D44-G46 PolarHBondContact O-N 3.31Å; D44-G46 VanDerWaalsContact O-N 3.08Å
47M94.6Very high96.6Very high32 Ų3232.4 Ų32.416%0.15818%0.181CC..EExtended strand (participates in β ladder)trans-96.5169.3165.8-56.9176.5-72.700110P43 D44 R45 Q304 V307 P316P43-M47 CarbonylContact C-O 3.47Å; P43-M47 WeakPolarHBondContact CA-O 3.43Å; D44-M47 PolarHBondContact N-O 3.3Å; D44-M47 WeakPolarHBondContact O-CA 3.26Å; D44-M47 VanDerWaalsContact O-CB 3.25Å; D44-M47 WeakPolarHBondContact O-CB 3.46Å; D44-M47 PolarHBondContact O-N 2.98Å; R45-M47 VanDerWaalsContact C-N 3.29Å; R45-M47 PolarHBondContact O-N 2.95Å; M47-Q304 HydrophobicContact SD-CB 3.76Å; M47-Q304 HydrophobicContact SD-CG 4.06Å; M47-V307 HydrophobicContact SD-CG2 4.16Å; M47-P316 HydrophobicContact CE-CB 4Å; M47-P316 HydrophobicContact CE-CG 4.03Å
48V96.8Very high96.6Very high68 Ų6835.2 Ų35.241%0.41219%0.191SC..EExtended strand (participates in β ladder)trans-130.8140173.4-179.90000107.6Q41 M42 A50 Q304Q41-V48 HydrophobicContact CB-CG1 4.43Å; Q41-V48 HydrophobicContact CG-CG1 3.77Å; M42-V48 WeakPolarHBondContact O-CA 3.49Å; V48-A50 PolarHBondContact O-N 2.78Å; V48-Q304 PolarHBondContact O-NE2 2.89Å
49A97.4Very high96.6Very high5 Ų535.2 Ų35.24%0.04119%0.191CC..  trans-51.1137.7172.500000110.6M42 T299M42-A49 HydrophobicContact CB-CB 4.43Å; M42-A49 PolarHBondContact O-N 2.93Å; A49-T299 CarbonylContact C-O 3.2Å; A49-T299 VanDerWaalsContact CA-O 3.25Å; A49-T299 WeakPolarHBondContact CA-O 3.47Å
50A97.8Very high96.6Very high22 Ų2234.1 Ų34.118%0.18219%0.187CC..SBendtrans-65.3-41.9-17100000112.4V48 T299 A392 V393V48-A50 PolarHBondContact O-N 2.78Å; A50-T299 PolarHBondContact N-O 2.94Å; A50-A392 HydrophobicContact CB-CB 4.31Å; A50-V393 HydrophobicContact CB-CG1 3.54Å
51D98.3Very high96.6Very high0 Ų034.1 Ų34.10%019%0.187CC..SBendtrans-85115.2173.4-65.7-60.2000110.3F40 Q41 Q55 H297 T299 A392F40-D51 WeakPolarHBondContact CA-O 3.06Å; F40-D51 HydrophobicContact CD1-CB 4.47Å; Q41-D51 PolarHBondContact N-O 2.76Å; D51-Q55 WeakPolarHBondContact OD1-CG 3.31Å; D51-H297 IonicContact OD2-CE1 2.72Å; D51-H297 IonicContact OD2-NE2 3.61Å; D51-H297 PolarHBondContact OD2-NE2 2.76Å; D51-H297 VanDerWaalsContact OD2-NE2 3.13Å; D51-T299 WeakPolarHBondContact CB-OG1 3.42Å; D51-T299 VanDerWaalsContact CG-OG1 3.29Å; D51-T299 PolarHBondContact N-OG1 3.34Å; D51-T299 WeakPolarHBondContact OD2-CB 3.46Å; D51-T299 WeakPolarHBondContact OD2-CG2 3.26Å; D51-T299 PolarHBondContact OD2-OG1 2.68Å; D51-A392 WeakPolarHBondContact OD1-CB 3.28Å; D51-A392 PolarHBondContact OD1-N 3.04Å
52D98.4Very high96.7Very high38 Ų3833.5 Ų33.520%0.20319%0.186CC..  trans-84.8-177.9171.879.3-4.1000111.9Q41 Y54 Q55 G56 K94Q41-D52 HydrophobicContact CB-CB 4.02Å; Q41-D52 HydrophobicContact CG-CB 4Å; D52-Y54 PolarHBondContact O-N 2.65Å; D52-Y54 WeakPolarHBondContact OD1-CB 3.43Å; D52-Y54 PolarHBondContact OD1-N 2.69Å; D52-Q55 PolarHBondContact O-N 3.35Å; D52-Q55 PolarHBondContact OD1-N 2.82Å; D52-G56 WeakPolarHBondContact O-CA 3.27Å; D52-G56 PolarHBondContact O-N 2.85Å; D52-K94 WeakPolarHBondContact OD2-CD 3.41Å; D52-K94 IonicContact OD2-NZ 3.51Å; D52-K94 PolarHBondContact OD2-NZ 3.48Å
53F98.8Very high96.8Very high0 Ų033.1 Ų33.10%019%0.185CC..Hα-helixtrans-60.7-30.5-179.8-82.1-76.9000113.5F40 Q41 T57 I68 D70 W87 W90 A91 K94F40-F53 HydrophobicContact CB-CD1 4.09Å; F40-F53 HydrophobicContact CB-CD2 4.3Å; F40-F53 HydrophobicContact CB-CE1 4.15Å; F40-F53 HydrophobicContact CB-CE2 4.36Å; F40-F53 HydrophobicContact CB-CG 4.15Å; F40-F53 HydrophobicContact CB-CZ 4.27Å; F40-F53 AromaticContact CD2-CD1 3.95Å; F40-F53 HydrophobicContact CD2-CD1 3.95Å; F40-F53 HydrophobicContact CD2-CE1 4.1Å; Q41-F53 HydrophobicContact CB-CD2 4.35Å; F53-T57 WeakPolarHBondContact O-CB 3.41Å; F53-T57 VanDerWaalsContact O-CG2 3.22Å; F53-T57 WeakPolarHBondContact O-CG2 3.46Å; F53-T57 PolarHBondContact O-N 3.44Å; F53-T57 PolarHBondContact O-OG1 3.18Å; F53-I68 HydrophobicContact CE1-CD1 4.11Å; F53-D70 HydrophobicContact CE1-CB 3.9Å; F53-D70 HydrophobicContact CZ-CB 4.01Å; F53-W87 AromaticContact CZ-CD1 3.85Å; F53-W90 HydrophobicContact CD2-CB 3.97Å; F53-W90 HydrophobicContact CE2-CB 4.13Å; F53-A91 HydrophobicContact CD1-CB 3.58Å; F53-A91 HydrophobicContact CD2-CB 3.96Å; F53-A91 HydrophobicContact CE1-CB 3.61Å; F53-A91 HydrophobicContact CE2-CB 3.98Å; F53-A91 HydrophobicContact CG-CB 3.78Å; F53-A91 HydrophobicContact CZ-CB 3.83Å; F53-K94 HydrophobicContact CB-CB 3.7Å; F53-K94 HydrophobicContact CB-CD 4.44Å
54Y98.6Very high97Very high71 Ų7131 Ų3128%0.27817%0.171SC..Hα-helixtrans-74-55.2178.1172.4-106.5000110.1D52 G56 T57 R58 K94 C96 E427D52-Y54 PolarHBondContact O-N 2.65Å; D52-Y54 WeakPolarHBondContact OD1-CB 3.43Å; D52-Y54 PolarHBondContact OD1-N 2.69Å; Y54-G56 PolarHBondContact O-N 2.73Å; Y54-T57 PolarHBondContact O-OG1 3.15Å; Y54-R58 VanDerWaalsContact O-CB 3.24Å; Y54-R58 WeakPolarHBondContact O-CB 3.32Å; Y54-R58 PolarHBondContact O-N 3.22Å; Y54-K94 WeakPolarHBondContact CA-O 3.38Å; Y54-C96 WeakPolarHBondContact CD2-SG 3.17Å; Y54-C96 VanDerWaalsContact CE2-SG 3.54Å; Y54-E427 HydrophobicContact CD2-CB 3.75Å; Y54-E427 HydrophobicContact CD2-CG 3.77Å; Y54-E427 HydrophobicContact CE2-CB 3.96Å; Y54-E427 HydrophobicContact CE2-CG 4.44Å; Y54-E427 HydrophobicContact CG-CG 4.28Å
55Q98.4Very high97.3Very high47 Ų4729.1 Ų29.122%0.2216%0.161CC..Hα-helixtrans-62.9-46.6-177.9-17165.347.700111.5D51 D52 R58 A59 N390 A392D51-Q55 WeakPolarHBondContact OD1-CG 3.31Å; D52-Q55 PolarHBondContact O-N 3.35Å; D52-Q55 PolarHBondContact OD1-N 2.82Å; Q55-R58 PolarHBondContact O-N 2.96Å; Q55-A59 PolarHBondContact O-N 3.34Å; Q55-N390 VanDerWaalsContact NE2-C 3.35Å; Q55-N390 PolarHBondContact NE2-O 2.99Å; Q55-A392 HydrophobicContact CG-CB 4.35Å
56G98.5Very high97.8Very high0 Ų021.2 Ų21.20%013%0.132CC..Hα-helixtrans-63.1-43.7-178.400000113.3F40 D52 Y54 A59 A60F40-G56 VanDerWaalsContact CE1-CA 3.42Å; D52-G56 WeakPolarHBondContact O-CA 3.27Å; D52-G56 PolarHBondContact O-N 2.85Å; Y54-G56 PolarHBondContact O-N 2.73Å; G56-A59 WeakPolarHBondContact O-CB 3.39Å; G56-A59 PolarHBondContact O-N 3.06Å; G56-A60 WeakPolarHBondContact O-CB 3.44Å; G56-A60 PolarHBondContact O-N 2.76Å
57T98.8Very high98.2Very high0 Ų017 Ų170%09%0.088CC..Hα-helixtrans-75.1-30.4178.558.80000112.9F40 F53 Y54 A59 A60 L61 I68 S95 C96F40-T57 HydrophobicContact CE2-CG2 4.11Å; F53-T57 WeakPolarHBondContact O-CB 3.41Å; F53-T57 VanDerWaalsContact O-CG2 3.22Å; F53-T57 WeakPolarHBondContact O-CG2 3.46Å; F53-T57 PolarHBondContact O-N 3.44Å; F53-T57 PolarHBondContact O-OG1 3.18Å; Y54-T57 PolarHBondContact O-OG1 3.15Å; T57-A59 VanDerWaalsContact C-N 3.31Å; T57-A60 PolarHBondContact O-N 2.91Å; T57-L61 WeakPolarHBondContact O-CB 3.4Å; T57-L61 WeakPolarHBondContact O-CG 3.34Å; T57-L61 PolarHBondContact O-N 2.84Å; T57-I68 HydrophobicContact CG2-CG1 4.04Å; T57-S95 WeakPolarHBondContact CG2-OG 3.27Å; T57-C96 WeakPolarHBondContact OG1-CB 3.46Å; T57-C96 PolarHBondContact OG1-N 2.87Å
58R98.4Very high98.4Very high59 Ų5915.5 Ų15.522%0.2238%0.08CC..Hα-helixtrans-61.6-41168.9-178.9175.2173-77.5-7.8111.1Y54 Q55 A62 N390 L423 T425Y54-R58 VanDerWaalsContact O-CB 3.24Å; Y54-R58 WeakPolarHBondContact O-CB 3.32Å; Y54-R58 PolarHBondContact O-N 3.22Å; Q55-R58 PolarHBondContact O-N 2.96Å; R58-A62 PolarHBondContact O-N 2.83Å; R58-N390 PolarHBondContact NH1-OD1 3.33Å; R58-N390 PolarHBondContact NH2-OD1 2.96Å; R58-L423 HydrophobicContact CG-CD1 3.88Å; R58-T425 HydrophobicContact CB-CG2 4.35Å; R58-T425 HydrophobicContact CG-CG2 4.03Å
59A98.6Very high98.6Very high0 Ų012.2 Ų12.20%06%0.061CC..Hα-helixtrans-66.8-42.8173.900000112.7Q55 G56 T57 L61 A62 G63 T322 E323 N390 L391Q55-A59 PolarHBondContact O-N 3.34Å; G56-A59 WeakPolarHBondContact O-CB 3.39Å; G56-A59 PolarHBondContact O-N 3.06Å; T57-A59 VanDerWaalsContact C-N 3.31Å; A59-L61 VanDerWaalsContact C-N 3.32Å; A59-L61 PolarHBondContact O-N 3.11Å; A59-A62 WeakPolarHBondContact O-CB 3.35Å; A59-A62 PolarHBondContact O-N 3.06Å; A59-A62 VanDerWaalsContact O-N 3.15Å; A59-G63 PolarHBondContact O-N 2.87Å; A59-G63 VanDerWaalsContact O-N 3.08Å; A59-T322 HydrophobicContact CB-CG2 4.01Å; A59-E323 HydrophobicContact CB-CB 4.2Å; A59-E323 WeakPolarHBondContact O-CA 3.46Å; A59-E323 WeakPolarHBondContact O-CB 3.27Å; A59-N390 HydrophobicContact CB-CB 4.16Å; A59-N390 WeakPolarHBondContact CB-O 3.48Å; A59-L391 HydrophobicContact CB-CD2 3.42Å; A59-L391 VanDerWaalsContact CB-CD2 3.42Å
60A98.8Very high98.6Very high0 Ų012 Ų120%06%0.059CC..Hα-helixtrans-56.8-46.9175.100000111.1G56 T57 A62 G63 G64 T65 I68 T322G56-A60 WeakPolarHBondContact O-CB 3.44Å; G56-A60 PolarHBondContact O-N 2.76Å; T57-A60 PolarHBondContact O-N 2.91Å; A60-A62 PolarHBondContact O-N 3.27Å; A60-G63 CarbonylContact O-C 3.57Å; A60-G63 WeakPolarHBondContact O-CA 3.14Å; A60-G63 PolarHBondContact O-N 3.32Å; A60-G63 VanDerWaalsContact O-N 3.1Å; A60-G64 PolarHBondContact O-N 2.89Å; A60-T65 CarbonylContact C-O 3.4Å; A60-T65 HydrophobicContact CB-CG2 4.03Å; A60-T65 WeakPolarHBondContact O-CA 3.24Å; A60-T65 WeakPolarHBondContact O-CB 3.33Å; A60-T65 PolarHBondContact O-N 2.78Å; A60-I68 HydrophobicContact CB-CG2 4.16Å; A60-T322 HydrophobicContact CB-CG2 4.39Å
61L98.8Very high98.7Very high0 Ų011 Ų110%05%0.05CC..Hα-helixtrans-62.4-39.7175.9-73.6173.8000112.4T57 A59 G63 G64 T65 T66 C96 C97 V410 V417 L423 T425T57-L61 WeakPolarHBondContact O-CB 3.4Å; T57-L61 WeakPolarHBondContact O-CG 3.34Å; T57-L61 PolarHBondContact O-N 2.84Å; A59-L61 VanDerWaalsContact C-N 3.32Å; A59-L61 PolarHBondContact O-N 3.11Å; L61-G63 PolarHBondContact O-N 3.32Å; L61-G64 PolarHBondContact O-N 3.44Å; L61-G64 VanDerWaalsContact O-N 3.08Å; L61-T65 WeakPolarHBondContact CA-O 3.44Å; L61-T65 PolarHBondContact N-O 3.02Å; L61-T66 HydrophobicContact CD2-CG2 4.23Å; L61-C96 HydrophobicContact CD1-CB 3.78Å; L61-C97 HydrophobicContact CD1-CB 4.17Å; L61-C97 HydrophobicContact CD2-CB 3.84Å; L61-C97 HydrophobicContact CG-CB 4.02Å; L61-V410 HydrophobicContact CD2-CG1 4.01Å; L61-V410 WeakPolarHBondContact O-CG2 3.36Å; L61-V417 HydrophobicContact CB-CG2 4.44Å; L61-V417 HydrophobicContact CD1-CB 4.27Å; L61-V417 HydrophobicContact CD1-CG2 4Å; L61-V417 HydrophobicContact CD2-CG2 3.74Å; L61-V417 HydrophobicContact CG-CG2 4.29Å; L61-L423 HydrophobicContact CB-CD2 4.43Å; L61-T425 HydrophobicContact CD1-CG2 3.7Å
62A98.5Very high98.7Very high11 Ų1111 Ų119%0.0915%0.05CC..Hα-helixtrans-59.2-31.7174.500000112.6R58 A59 A60 E323 N390 P407 L423R58-A62 PolarHBondContact O-N 2.83Å; A59-A62 WeakPolarHBondContact O-CB 3.35Å; A59-A62 PolarHBondContact O-N 3.06Å; A59-A62 VanDerWaalsContact O-N 3.15Å; A60-A62 PolarHBondContact O-N 3.27Å; A62-E323 HydrophobicContact CB-CG 4.25Å; A62-N390 HydrophobicContact CB-CB 4.42Å; A62-N390 WeakPolarHBondContact CB-ND2 3.43Å; A62-P407 WeakPolarHBondContact O-CG 3.06Å; A62-L423 HydrophobicContact CB-CD1 3.81Å; A62-L423 HydrophobicContact CB-CD2 4.16Å; A62-L423 HydrophobicContact CB-CG 4.45Å
63G98.3Very high98.6Very high3 Ų310 Ų103%0.0315%0.046CC..THydrogen-bonded Turntrans-86.6-1.8176.500000115.7A59 A60 L61 E323 M326A59-G63 PolarHBondContact O-N 2.87Å; A59-G63 VanDerWaalsContact O-N 3.08Å; A60-G63 CarbonylContact O-C 3.57Å; A60-G63 WeakPolarHBondContact O-CA 3.14Å; A60-G63 PolarHBondContact O-N 3.32Å; A60-G63 VanDerWaalsContact O-N 3.1Å; L61-G63 PolarHBondContact O-N 3.32Å; G63-E323 WeakPolarHBondContact CA-O 3.25Å; G63-M326 WeakPolarHBondContact O-CB 3.33Å
64G98.6Very high98.4Very high0 Ų010.2 Ų10.20%05%0.047CC..THydrogen-bonded Turntrans86.46.2-175.100000115.1G33 A60 L61 V374G33-G64 PolarHBondContact N-O 2.72Å; A60-G64 PolarHBondContact O-N 2.89Å; L61-G64 PolarHBondContact O-N 3.44Å; L61-G64 VanDerWaalsContact O-N 3.08Å; G64-V374 WeakPolarHBondContact O-CG2 3.48Å
65T98.9Very high97.9Very high0 Ų012.9 Ų12.90%06%0.062CC..EExtended strand (participates in β ladder)trans-85.8121.4172.8-62.80000109.9G33 D35 A60 L61 M67 I68 R325G33-T65 CarbonylContact O-C 3.46Å; G33-T65 WeakPolarHBondContact O-CA 3.43Å; G33-T65 WeakPolarHBondContact O-CG2 3.16Å; D35-T65 HydrophobicContact CB-CG2 3.72Å; A60-T65 CarbonylContact C-O 3.4Å; A60-T65 HydrophobicContact CB-CG2 4.03Å; A60-T65 WeakPolarHBondContact O-CA 3.24Å; A60-T65 WeakPolarHBondContact O-CB 3.33Å; A60-T65 PolarHBondContact O-N 2.78Å; L61-T65 WeakPolarHBondContact CA-O 3.44Å; L61-T65 PolarHBondContact N-O 3.02Å; T65-M67 VanDerWaalsContact CG2-O 3.29Å; T65-M67 WeakPolarHBondContact CG2-O 3.49Å; T65-I68 HydrophobicContact CG2-CG2 4.32Å; T65-R325 PolarHBondContact OG1-NH2 3.34Å
66T98.9Very high97.3Very high1 Ų114.7 Ų14.71%0.0068%0.078CC..EExtended strand (participates in β ladder)trans-109.7-1.4-17659.50000113.6G32 G33 L61 C97 D372 V410G32-T66 WeakPolarHBondContact CA-OG1 3.32Å; G33-T66 PolarHBondContact O-N 3.32Å; L61-T66 HydrophobicContact CD2-CG2 4.23Å; T66-C97 WeakPolarHBondContact O-CB 3.15Å; T66-D372 HydrophobicContact CG2-CB 4.41Å; T66-D372 WeakPolarHBondContact OG1-CB 3.41Å; T66-V410 HydrophobicContact CG2-CG1 3.68Å
67M98.9Very high96.7Very high0 Ų017.8 Ų17.80%011%0.109CC..EExtended strand (participates in β ladder)trans-146.5140.9172.1-178.4175.1-178.800111.3G33 I34 D35 T65 D98 L358 K362 I433G33-M67 PolarHBondContact O-N 3.32Å; I34-M67 CarbonylContact C-O 3.58Å; I34-M67 WeakPolarHBondContact CA-O 3.34Å; I34-M67 HydrophobicContact CG1-CB 4.32Å; I34-M67 HydrophobicContact CG2-CB 4.34Å; I34-M67 HydrophobicContact CG2-CG 4.3Å; I34-M67 HydrophobicContact CG2-SD 4.46Å; D35-M67 PolarHBondContact N-O 3.31Å; T65-M67 VanDerWaalsContact CG2-O 3.29Å; T65-M67 WeakPolarHBondContact CG2-O 3.49Å; M67-D98 WeakPolarHBondContact CA-O 3.36Å; M67-D98 WeakPolarHBondContact CG-O 3.49Å; M67-L358 HydrophobicContact CE-CD1 3.49Å; M67-L358 VanDerWaalsContact CE-CD1 3.49Å; M67-L358 HydrophobicContact CE-CD2 4.26Å; M67-L358 HydrophobicContact SD-CD1 3.76Å; M67-K362 HydrophobicContact CB-CD 4.37Å; M67-K362 HydrophobicContact SD-CD 3.65Å; M67-K362 WeakPolarHBondContact SD-CE 3.32Å; M67-K362 HydrophobicContact SD-CG 3.91Å; M67-I433 HydrophobicContact CE-CB 3.88Å; M67-I433 HydrophobicContact CE-CG1 4.06Å; M67-I433 HydrophobicContact CE-CG2 4.4Å
68I98.9Very high96.5Very high0 Ų020.5 Ų20.50%013%0.126CC..EExtended strand (participates in β ladder)trans-118.7153.2172.764.497.3000111.4D35 T38 F40 F53 T57 A60 T65 D70 D98 Y99 S100D35-I68 HydrophobicContact CB-CG2 4.27Å; D35-I68 CarbonylContact O-C 3.54Å; D35-I68 VanDerWaalsContact O-CA 3.27Å; D35-I68 WeakPolarHBondContact O-CA 3.38Å; T38-I68 HydrophobicContact CG2-CB 4.18Å; T38-I68 HydrophobicContact CG2-CG2 4.24Å; F40-I68 HydrophobicContact CD2-CD1 4.14Å; F40-I68 HydrophobicContact CE2-CB 4.31Å; F40-I68 HydrophobicContact CE2-CD1 4.06Å; F40-I68 HydrophobicContact CE2-CG1 4.08Å; F40-I68 HydrophobicContact CE2-CG2 4.13Å; F53-I68 HydrophobicContact CE1-CD1 4.11Å; T57-I68 HydrophobicContact CG2-CG1 4.04Å; A60-I68 HydrophobicContact CB-CG2 4.16Å; T65-I68 HydrophobicContact CG2-CG2 4.32Å; I68-D70 HydrophobicContact CD1-CB 3.87Å; I68-D98 PolarHBondContact N-O 3.1Å; I68-Y99 CarbonylContact O-C 3.55Å; I68-Y99 WeakPolarHBondContact O-CA 3.46Å; I68-S100 PolarHBondContact O-N 3.42Å
69I98.9Very high96.4Very high0 Ų019.3 Ų19.30%013%0.127CC..EExtended strand (participates in β ladder)trans-123.1109.6165.7-44.2-177.7000107.8D35 V36 T38 S100 H102 F356D35-I69 PolarHBondContact O-N 2.83Å; V36-I69 CarbonylContact C-O 3.51Å; V36-I69 HydrophobicContact CG1-CD1 4.21Å; T38-I69 PolarHBondContact N-O 2.96Å; I69-S100 WeakPolarHBondContact CA-O 3.44Å; I69-H102 VanDerWaalsContact CG2-CD2 3.43Å; I69-H102 WeakPolarHBondContact CG2-CD2 3.42Å; I69-H102 VanDerWaalsContact CG2-CE1 3.43Å; I69-H102 WeakPolarHBondContact CG2-CE1 3.47Å; I69-H102 WeakPolarHBondContact CG2-NE2 3.4Å; I69-F356 HydrophobicContact CD1-CB 4.14Å; I69-F356 HydrophobicContact CD1-CD2 3.72Å; I69-F356 HydrophobicContact CD1-CE2 4.34Å; I69-F356 HydrophobicContact CD1-CG 3.94Å
70D98.9Very high96.4Very high0 Ų019.7 Ų19.70%013%0.129CC..EExtended strand (participates in β ladder)trans-94.3155.6-174.1-153.3-93.3000111.6T38 R39 F40 F53 I68 W87 S100 L101 H102T38-D70 VanDerWaalsContact CB-OD2 3.26Å; T38-D70 WeakPolarHBondContact CB-OD2 3.49Å; T38-D70 WeakPolarHBondContact O-CA 3.35Å; T38-D70 WeakPolarHBondContact OG1-CA 3.5Å; T38-D70 WeakPolarHBondContact OG1-CB 3.31Å; T38-D70 PolarHBondContact OG1-OD2 3.47Å; R39-D70 WeakPolarHBondContact CA-OD2 3.44Å; R39-D70 PolarHBondContact N-OD2 2.82Å; F40-D70 WeakPolarHBondContact CD2-OD2 3.48Å; F40-D70 PolarHBondContact N-OD2 3.39Å; F53-D70 HydrophobicContact CE1-CB 3.9Å; F53-D70 HydrophobicContact CZ-CB 4.01Å; I68-D70 HydrophobicContact CD1-CB 3.87Å; D70-W87 PolarHBondContact OD1-NE1 2.96Å; D70-S100 PolarHBondContact N-O 2.83Å; D70-L101 HydrophobicContact CB-CD2 3.82Å; D70-L101 CarbonylContact O-C 3.57Å; D70-L101 VanDerWaalsContact O-CA 3.3Å; D70-L101 WeakPolarHBondContact O-CA 3.49Å; D70-H102 PolarHBondContact O-N 3.28Å
71H98.8Very high96.3Very high0 Ų020.6 Ų20.60%013%0.134CC..EExtended strand (participates in β ladder)trans-93.2118.3177.3-77.9-95.9000111.7H37 T38 R39 V73 W87 H102 D104 L129H37-H71 AromaticContact CD2-CD2 3.51Å; H37-H71 AromaticContact CD2-NE2 3.54Å; H37-H71 AromaticContact CE1-NE2 3.92Å; H37-H71 AromaticContact CG-NE2 3.81Å; H37-H71 AromaticContact NE2-CD2 3.79Å; H37-H71 AromaticContact NE2-NE2 3.66Å; T38-H71 PolarHBondContact O-N 2.94Å; R39-H71 HydrophobicContact CG-CB 4.23Å; H71-V73 HydrophobicContact CB-CG2 4.21Å; H71-V73 PolarHBondContact O-N 2.84Å; H71-W87 PolarHBondContact O-NE1 2.89Å; H71-H102 AromaticContact CD2-CD2 3.91Å; H71-H102 AromaticContact CE1-CD2 3.76Å; H71-H102 AromaticContact CE1-CG 3.93Å; H71-H102 AromaticContact NE2-CD2 3.44Å; H71-H102 PolarHBondContact NE2-CD2 3.24Å; H71-D104 IonicContact CE1-OD1 3.35Å; H71-D104 IonicContact CG-OD1 3.18Å; H71-D104 IonicContact ND1-OD1 2.96Å; H71-D104 PolarHBondContact ND1-OD1 3.41Å; H71-D104 IonicContact ND1-OD2 2.82Å; H71-L129 VanDerWaalsContact CE1-CD1 3.47Å; H71-L129 WeakPolarHBondContact CE1-CD1 3.35Å
72V98.7Very high96.3Very high0 Ų024.4 Ų24.40%016%0.157CC..EExtended strand (participates in β ladder)trans-76.2110.6164.6-178.90000108P74 A83 F84 W87 L101 H102 V103 D104V72-P74 VanDerWaalsContact O-CD 3.31Å; V72-P74 WeakPolarHBondContact O-CD 3.42Å; V72-A83 HydrophobicContact CG1-CB 3.65Å; V72-F84 HydrophobicContact CG2-CD2 4.38Å; V72-W87 HydrophobicContact CB-CD2 4.28Å; V72-W87 HydrophobicContact CB-CG 4.32Å; V72-W87 HydrophobicContact CG1-CD2 4.07Å; V72-W87 HydrophobicContact CG1-CE3 3.91Å; V72-W87 HydrophobicContact CG1-CG 4.4Å; V72-W87 HydrophobicContact CG1-CZ3 4.37Å; V72-W87 HydrophobicContact CG2-CB 3.76Å; V72-W87 HydrophobicContact CG2-CD2 4.22Å; V72-W87 HydrophobicContact CG2-CG 3.74Å; V72-L101 HydrophobicContact CG2-CB 3.95Å; V72-L101 HydrophobicContact CG2-CD1 3.93Å; V72-L101 HydrophobicContact CG2-CD2 4.08Å; V72-L101 HydrophobicContact CG2-CG 4.2Å; V72-H102 WeakPolarHBondContact CB-O 3.18Å; V72-H102 WeakPolarHBondContact CG2-O 3.34Å; V72-H102 PolarHBondContact N-O 3.15Å; V72-V103 HydrophobicContact CB-CG2 4.19Å; V72-V103 HydrophobicContact CG2-CG2 4.29Å; V72-D104 WeakPolarHBondContact O-CB 3.44Å; V72-D104 PolarHBondContact O-N 3.31Å
73V96.4Very high96.3Very high19 Ų1924.1 Ų24.112%0.11516%0.155CC..  trans-106.496.1179.5-171.10000108.7M42 H71 W87 F138M42-V73 HydrophobicContact CG-CG2 4.34Å; M42-V73 HydrophobicContact SD-CG2 4.19Å; H71-V73 HydrophobicContact CB-CG2 4.21Å; H71-V73 PolarHBondContact O-N 2.84Å; V73-W87 HydrophobicContact CB-CH2 4.35Å; V73-W87 HydrophobicContact CB-CZ2 4.39Å; V73-W87 VanDerWaalsContact O-CH2 3.23Å; V73-W87 WeakPolarHBondContact O-CH2 3.38Å; V73-F138 HydrophobicContact CG1-CZ 4.25Å
74P93.7Very high96.3Very high3 Ų324 Ų242%0.01915%0.154CC..PPolyproline II helixtrans-66.8135.9178.129.1-34.2000110.2V72 L80 A83 D104 A106V72-P74 VanDerWaalsContact O-CD 3.31Å; V72-P74 WeakPolarHBondContact O-CD 3.42Å; P74-L80 HydrophobicContact CB-CD2 4.32Å; P74-L80 HydrophobicContact CG-CD2 3.74Å; P74-A83 HydrophobicContact CB-CB 3.87Å; P74-D104 WeakPolarHBondContact CD-O 3.33Å; P74-D104 WeakPolarHBondContact CG-O 3.29Å; P74-A106 HydrophobicContact CG-CB 4.32Å
75E89.7Confident96.3Very high127 Ų12729.8 Ų29.859%0.59318%0.179SC*.PPolyproline II helixtrans-65.8147.5165.8-66.1-173.4155.700109.8G77 V78E75-G77 PolarHBondContact O-N 2.94Å; E75-V78 HydrophobicContact CB-CG2 3.97Å; E75-V78 WeakPolarHBondContact O-CB 3.21Å; E75-V78 PolarHBondContact O-N 3.37Å
76P84.9Confident96.3Very high86 Ų8633 Ų3356%0.55819%0.194SC*.THydrogen-bonded Turntrans-51.2131.2177.8-28.735.9000112.7V78P76-V78 VanDerWaalsContact C-N 3.3Å; P76-V78 PolarHBondContact O-N 3.41Å
77G86.9Confident96.3Very high64 Ų6433.5 Ų33.566%0.6620%0.196SC*.THydrogen-bonded Turntrans79.9-3.3-175.700000116.1E75 E107E75-G77 PolarHBondContact O-N 2.94Å; G77-E107 PolarHBondContact N-OE2 3.03Å
78V93.1Very high96.3Very high57 Ų5736.4 Ų36.435%0.34521%0.207SC..SBendtrans-89.2130.7171.9-179.20000110.2E75 P76 T82 A83E75-V78 HydrophobicContact CB-CG2 3.97Å; E75-V78 WeakPolarHBondContact O-CB 3.21Å; E75-V78 PolarHBondContact O-N 3.37Å; P76-V78 VanDerWaalsContact C-N 3.3Å; P76-V78 PolarHBondContact O-N 3.41Å; V78-T82 HydrophobicContact CG1-CG2 4.32Å; V78-A83 HydrophobicContact CG1-CB 4.41Å
79S96.6Very high96.3Very high35 Ų3542.3 Ų42.325%0.24523%0.234CC..  trans-52.8137.5173.6147.60000112.5V81 T82 A83 E115S79-V81 VanDerWaalsContact C-N 3.3Å; S79-V81 PolarHBondContact O-N 3.25Å; S79-V81 PolarHBondContact OG-N 3.32Å; S79-T82 WeakPolarHBondContact CB-OG1 3.4Å; S79-T82 WeakPolarHBondContact O-CB 3.44Å; S79-T82 PolarHBondContact O-N 3.13Å; S79-T82 VanDerWaalsContact O-N 3.14Å; S79-T82 PolarHBondContact OG-N 2.9Å; S79-T82 VanDerWaalsContact OG-N 3.15Å; S79-T82 PolarHBondContact OG-OG1 3.25Å; S79-T82 VanDerWaalsContact OG-OG1 3.11Å; S79-A83 PolarHBondContact O-N 3.13Å; S79-E115 WeakPolarHBondContact CB-OE1 3.41Å; S79-E115 PolarHBondContact OG-OE1 3.28Å
80L98.3Very high96.2Very high8 Ų845 Ų454%0.04225%0.245CC..Hα-helixtrans-60.5-40.5178.6-59-175.1000111.7P74 T82 F84 V103 I105 T112 E115 M116 L119P74-L80 HydrophobicContact CB-CD2 4.32Å; P74-L80 HydrophobicContact CG-CD2 3.74Å; L80-T82 VanDerWaalsContact C-N 3.33Å; L80-F84 VanDerWaalsContact O-CB 3.32Å; L80-F84 WeakPolarHBondContact O-CB 3.39Å; L80-F84 PolarHBondContact O-N 3.24Å; L80-V103 HydrophobicContact CB-CG1 4.27Å; L80-V103 HydrophobicContact CD1-CG1 4.47Å; L80-V103 HydrophobicContact CD2-CG1 4.2Å; L80-I105 HydrophobicContact CD1-CD1 3.58Å; L80-I105 HydrophobicContact CD2-CD1 4.32Å; L80-T112 HydrophobicContact CD1-CG2 3.75Å; L80-T112 HydrophobicContact CG-CG2 4.41Å; L80-E115 HydrophobicContact CB-CB 4.14Å; L80-E115 WeakPolarHBondContact CB-OE2 3.43Å; L80-E115 HydrophobicContact CD1-CB 4.19Å; L80-E115 HydrophobicContact CG-CB 4.37Å; L80-E115 WeakPolarHBondContact CG-OE2 3.34Å; L80-E115 PolarHBondContact N-OE2 3.28Å; L80-M116 HydrophobicContact CD1-CG 3.96Å; L80-L119 HydrophobicContact CB-CD1 3.78Å; L80-L119 HydrophobicContact CD1-CD1 4.26Å
81V98.3Very high96.2Very high18 Ų1845 Ų4511%0.10925%0.245CC..Hα-helixtrans-68-36.5179176.20000110.9S79 K85 E115 T118 L119S79-V81 VanDerWaalsContact C-N 3.3Å; S79-V81 PolarHBondContact O-N 3.25Å; S79-V81 PolarHBondContact OG-N 3.32Å; V81-K85 HydrophobicContact CG1-CD 4.31Å; V81-K85 WeakPolarHBondContact O-CG 3.2Å; V81-K85 PolarHBondContact O-N 3Å; V81-E115 HydrophobicContact CG2-CB 4.18Å; V81-E115 HydrophobicContact CG2-CG 4.29Å; V81-T118 HydrophobicContact CG2-CG2 4.19Å; V81-L119 HydrophobicContact CG2-CD2 4.3Å; V81-L119 HydrophobicContact CG2-CG 4.15Å
82T98.2Very high96.2Very high80 Ų8047.8 Ų47.849%0.49126%0.26SS..Hα-helixtrans-66.5-48.4177-58.40000110.7V78 S79 L80 F84 K85 Q86V78-T82 HydrophobicContact CG1-CG2 4.32Å; S79-T82 WeakPolarHBondContact CB-OG1 3.4Å; S79-T82 WeakPolarHBondContact O-CB 3.44Å; S79-T82 PolarHBondContact O-N 3.13Å; S79-T82 VanDerWaalsContact O-N 3.14Å; S79-T82 PolarHBondContact OG-N 2.9Å; S79-T82 VanDerWaalsContact OG-N 3.15Å; S79-T82 PolarHBondContact OG-OG1 3.25Å; S79-T82 VanDerWaalsContact OG-OG1 3.11Å; L80-T82 VanDerWaalsContact C-N 3.33Å; T82-F84 VanDerWaalsContact C-N 3.34Å; T82-F84 PolarHBondContact O-N 2.84Å; T82-K85 PolarHBondContact O-N 3.31Å; T82-Q86 PolarHBondContact O-N 3.18Å
83A98.3Very high96.2Very high5 Ų551 Ų514%0.04128%0.282CS..Hα-helixtrans-59.3-44.6174.800000111.5V72 P74 V78 S79 K85 Q86 W87V72-A83 HydrophobicContact CG1-CB 3.65Å; P74-A83 HydrophobicContact CB-CB 3.87Å; V78-A83 HydrophobicContact CG1-CB 4.41Å; S79-A83 PolarHBondContact O-N 3.13Å; A83-K85 VanDerWaalsContact C-N 3.34Å; A83-K85 PolarHBondContact O-N 3Å; A83-Q86 WeakPolarHBondContact O-CB 3.49Å; A83-Q86 PolarHBondContact O-N 2.81Å; A83-Q86 VanDerWaalsContact O-N 3.14Å; A83-W87 PolarHBondContact O-N 2.71Å
84F98.8Very high96.3Very high2 Ų252.3 Ų52.31%0.00929%0.286CS..Hα-helixtrans-57.4-44.8176.7173.2-91.8000112.4V72 L80 T82 Q86 W87 R88 L101 V103 L119 H123 V125 Y432V72-F84 HydrophobicContact CG2-CD2 4.38Å; L80-F84 VanDerWaalsContact O-CB 3.32Å; L80-F84 WeakPolarHBondContact O-CB 3.39Å; L80-F84 PolarHBondContact O-N 3.24Å; T82-F84 VanDerWaalsContact C-N 3.34Å; T82-F84 PolarHBondContact O-N 2.84Å; F84-Q86 VanDerWaalsContact C-N 3.32Å; F84-Q86 PolarHBondContact O-N 2.9Å; F84-W87 PolarHBondContact O-N 3.18Å; F84-R88 HydrophobicContact CD1-CG 4.06Å; F84-R88 HydrophobicContact CE1-CG 3.57Å; F84-R88 HydrophobicContact CE2-CG 4.23Å; F84-R88 HydrophobicContact CZ-CG 3.67Å; F84-R88 WeakPolarHBondContact O-CB 3.4Å; F84-R88 WeakPolarHBondContact O-CG 3.21Å; F84-R88 PolarHBondContact O-N 2.69Å; F84-L101 HydrophobicContact CD2-CB 4.34Å; F84-L101 HydrophobicContact CD2-CD1 3.86Å; F84-L101 HydrophobicContact CE2-CB 4.06Å; F84-L101 HydrophobicContact CE2-CD1 3.67Å; F84-L101 HydrophobicContact CE2-CG 4.45Å; F84-L101 HydrophobicContact CZ-CD1 4.38Å; F84-V103 HydrophobicContact CD2-CG2 4.19Å; F84-L119 HydrophobicContact CB-CD2 3.72Å; F84-L119 HydrophobicContact CD1-CD2 4.08Å; F84-L119 HydrophobicContact CD2-CD2 3.97Å; F84-L119 HydrophobicContact CG-CD2 3.65Å; F84-H123 HydrophobicContact CD1-CB 4.27Å; F84-H123 HydrophobicContact CE1-CB 3.62Å; F84-H123 AromaticContact CE1-CG 3.69Å; F84-H123 AromaticContact CE1-ND1 3.65Å; F84-H123 HydrophobicContact CE2-CB 4.46Å; F84-H123 HydrophobicContact CZ-CB 3.73Å; F84-V125 HydrophobicContact CD2-CG2 3.99Å; F84-V125 HydrophobicContact CE2-CG2 3.62Å; F84-V125 HydrophobicContact CZ-CG2 4.39Å; F84-Y432 HydrophobicContact CE2-CE2 4.32Å; F84-Y432 HydrophobicContact CZ-CE1 4.4Å; F84-Y432 HydrophobicContact CZ-CE2 4.26Å; F84-Y432 AromaticContact CZ-CZ 3.86Å
85K98.6Very high96.5Very high121 Ų12152.1 Ų52.153%0.52629%0.285SS..Hα-helixtrans-63.6-38.6177.6-75.2172.4-179174.20112V81 T82 A83 R88 E89V81-K85 HydrophobicContact CG1-CD 4.31Å; V81-K85 WeakPolarHBondContact O-CG 3.2Å; V81-K85 PolarHBondContact O-N 3Å; T82-K85 PolarHBondContact O-N 3.31Å; A83-K85 VanDerWaalsContact C-N 3.34Å; A83-K85 PolarHBondContact O-N 3Å; K85-R88 WeakPolarHBondContact O-CB 3.44Å; K85-R88 PolarHBondContact O-N 3.5Å; K85-E89 PolarHBondContact O-N 3.11Å
86Q98.5Very high96.9Very high68 Ų6846.1 Ų46.132%0.31826%0.257SS..Hα-helixtrans-63.4-45.5176.8-175.762.482.600111.8T82 A83 F84 R88 E89 W90T82-Q86 PolarHBondContact O-N 3.18Å; A83-Q86 WeakPolarHBondContact O-CB 3.49Å; A83-Q86 PolarHBondContact O-N 2.81Å; A83-Q86 VanDerWaalsContact O-N 3.14Å; F84-Q86 VanDerWaalsContact C-N 3.32Å; F84-Q86 PolarHBondContact O-N 2.9Å; Q86-R88 VanDerWaalsContact C-N 3.32Å; Q86-R88 PolarHBondContact O-N 3.37Å; Q86-E89 PolarHBondContact NE2-OE2 3.06Å; Q86-E89 WeakPolarHBondContact O-CB 3.49Å; Q86-E89 PolarHBondContact O-N 2.76Å; Q86-W90 HydrophobicContact CG-CD2 4.14Å; Q86-W90 HydrophobicContact CG-CE3 4.39Å; Q86-W90 HydrophobicContact CG-CH2 3.66Å; Q86-W90 HydrophobicContact CG-CZ2 3.34Å; Q86-W90 HydrophobicContact CG-CZ3 4.17Å; Q86-W90 PolarHBondContact O-N 3.23Å; Q86-W90 VanDerWaalsContact O-N 3.1Å
87W98.8Very high97.6Very high10 Ų1042 Ų424%0.03823%0.23CC..Hα-helixtrans-63-39.9174.7-103-106.8000112.1F53 D70 H71 V72 V73 A83 F84 W90 A91 L101F53-W87 AromaticContact CZ-CD1 3.85Å; D70-W87 PolarHBondContact OD1-NE1 2.96Å; H71-W87 PolarHBondContact O-NE1 2.89Å; V72-W87 HydrophobicContact CB-CD2 4.28Å; V72-W87 HydrophobicContact CB-CG 4.32Å; V72-W87 HydrophobicContact CG1-CD2 4.07Å; V72-W87 HydrophobicContact CG1-CE3 3.91Å; V72-W87 HydrophobicContact CG1-CG 4.4Å; V72-W87 HydrophobicContact CG1-CZ3 4.37Å; V72-W87 HydrophobicContact CG2-CB 3.76Å; V72-W87 HydrophobicContact CG2-CD2 4.22Å; V72-W87 HydrophobicContact CG2-CG 3.74Å; V73-W87 HydrophobicContact CB-CH2 4.35Å; V73-W87 HydrophobicContact CB-CZ2 4.39Å; V73-W87 VanDerWaalsContact O-CH2 3.23Å; V73-W87 WeakPolarHBondContact O-CH2 3.38Å; A83-W87 PolarHBondContact O-N 2.71Å; F84-W87 PolarHBondContact O-N 3.18Å; W87-W90 HydrophobicContact CD2-CE3 4.15Å; W87-W90 AromaticContact CD2-CZ3 3.9Å; W87-W90 HydrophobicContact CD2-CZ3 3.9Å; W87-W90 HydrophobicContact CE3-CE3 4.31Å; W87-W90 HydrophobicContact CE3-CH2 4.46Å; W87-W90 AromaticContact CE3-CZ3 3.74Å; W87-W90 HydrophobicContact CE3-CZ3 3.74Å; W87-W90 HydrophobicContact CG-CE3 4.4Å; W87-W90 HydrophobicContact CH2-CZ3 4.14Å; W87-W90 HydrophobicContact CZ2-CZ3 4.26Å; W87-W90 HydrophobicContact CZ3-CH2 4.34Å; W87-W90 AromaticContact CZ3-CZ3 3.89Å; W87-W90 HydrophobicContact CZ3-CZ3 3.89Å; W87-W90 PolarHBondContact O-N 2.9Å; W87-A91 VanDerWaalsContact O-CB 3.3Å; W87-A91 WeakPolarHBondContact O-CB 3.29Å; W87-A91 PolarHBondContact O-N 2.79Å; W87-L101 HydrophobicContact CB-CD1 4.01Å; W87-L101 HydrophobicContact CB-CD2 4.37Å
88R98.6Very high98.2Very high62 Ų6239 Ų3923%0.23420%0.199CC..Hα-helixtrans-59.3-46.1174.2-78.4-65.9-54.4-76.3-9111.7F84 K85 Q86 W90 A91 D92 Y99 L101 Y432F84-R88 HydrophobicContact CD1-CG 4.06Å; F84-R88 HydrophobicContact CE1-CG 3.57Å; F84-R88 HydrophobicContact CE2-CG 4.23Å; F84-R88 HydrophobicContact CZ-CG 3.67Å; F84-R88 WeakPolarHBondContact O-CB 3.4Å; F84-R88 WeakPolarHBondContact O-CG 3.21Å; F84-R88 PolarHBondContact O-N 2.69Å; K85-R88 WeakPolarHBondContact O-CB 3.44Å; K85-R88 PolarHBondContact O-N 3.5Å; Q86-R88 VanDerWaalsContact C-N 3.32Å; Q86-R88 PolarHBondContact O-N 3.37Å; R88-W90 PolarHBondContact O-N 3.36Å; R88-A91 PolarHBondContact O-N 3.25Å; R88-D92 IonicContact CZ-OD2 2.71Å; R88-D92 VanDerWaalsContact CZ-OD2 3.32Å; R88-D92 IonicContact NE-OD1 3.86Å; R88-D92 IonicContact NE-OD2 3.91Å; R88-D92 PolarHBondContact NE-OD2 3.49Å; R88-D92 IonicContact NH2-OD1 2.82Å; R88-D92 IonicContact NH2-OD2 3.06Å; R88-D92 PolarHBondContact NH2-OD2 2.66Å; R88-D92 WeakPolarHBondContact O-CB 3.28Å; R88-D92 VanDerWaalsContact O-CG 3.31Å; R88-D92 PolarHBondContact O-N 3.39Å; R88-Y99 WeakPolarHBondContact CD-OH 3.35Å; R88-Y99 PolarHBondContact NE-OH 3.33Å; R88-Y99 PolarHBondContact O-OH 3.2Å; R88-L101 HydrophobicContact CG-CD1 3.82Å; R88-Y432 VanDerWaalsContact CD-CD2 3.42Å; R88-Y432 VanDerWaalsContact CZ-CG 3.46Å
89E98.4Very high98.5Very high124 Ų12436.2 Ų36.258%0.57918%0.182SC*.Hα-helixtrans-58.4-47.6176.7-176.8-175.3-174.800112.2K85 Q86 S93K85-E89 PolarHBondContact O-N 3.11Å; Q86-E89 PolarHBondContact NE2-OE2 3.06Å; Q86-E89 WeakPolarHBondContact O-CB 3.49Å; Q86-E89 PolarHBondContact O-N 2.76Å; E89-S93 WeakPolarHBondContact O-CB 3.2Å; E89-S93 PolarHBondContact O-N 2.93Å; E89-S93 PolarHBondContact O-OG 2.98Å
90W98.6Very high98.6Very high56 Ų5634.6 Ų34.621%0.21217%0.171CC..Hα-helixtrans-63.6-43.8178.2-63.4-23.8000112.5P43 F53 Q86 W87 R88 S93 K94P43-W90 HydrophobicContact CG-CH2 4.12Å; F53-W90 HydrophobicContact CD2-CB 3.97Å; F53-W90 HydrophobicContact CE2-CB 4.13Å; Q86-W90 HydrophobicContact CG-CD2 4.14Å; Q86-W90 HydrophobicContact CG-CE3 4.39Å; Q86-W90 HydrophobicContact CG-CH2 3.66Å; Q86-W90 HydrophobicContact CG-CZ2 3.34Å; Q86-W90 HydrophobicContact CG-CZ3 4.17Å; Q86-W90 PolarHBondContact O-N 3.23Å; Q86-W90 VanDerWaalsContact O-N 3.1Å; W87-W90 HydrophobicContact CD2-CE3 4.15Å; W87-W90 AromaticContact CD2-CZ3 3.9Å; W87-W90 HydrophobicContact CD2-CZ3 3.9Å; W87-W90 HydrophobicContact CE3-CE3 4.31Å; W87-W90 HydrophobicContact CE3-CH2 4.46Å; W87-W90 AromaticContact CE3-CZ3 3.74Å; W87-W90 HydrophobicContact CE3-CZ3 3.74Å; W87-W90 HydrophobicContact CG-CE3 4.4Å; W87-W90 HydrophobicContact CH2-CZ3 4.14Å; W87-W90 HydrophobicContact CZ2-CZ3 4.26Å; W87-W90 HydrophobicContact CZ3-CH2 4.34Å; W87-W90 AromaticContact CZ3-CZ3 3.89Å; W87-W90 HydrophobicContact CZ3-CZ3 3.89Å; W87-W90 PolarHBondContact O-N 2.9Å; R88-W90 PolarHBondContact O-N 3.36Å; W90-S93 PolarHBondContact O-OG 3.46Å; W90-S93 VanDerWaalsContact O-OG 3.12Å; W90-K94 VanDerWaalsContact O-CB 3.3Å; W90-K94 WeakPolarHBondContact O-CB 3.47Å; W90-K94 VanDerWaalsContact O-CG 3.31Å; W90-K94 WeakPolarHBondContact O-CG 3.41Å; W90-K94 PolarHBondContact O-N 2.74Å
91A98.6Very high98.6Very high0 Ų034.2 Ų34.20%017%0.169CC..Hα-helixtrans-79-40.7-175.500000113.1F53 W87 R88 S93 K94 S95 Y99F53-A91 HydrophobicContact CD1-CB 3.58Å; F53-A91 HydrophobicContact CD2-CB 3.96Å; F53-A91 HydrophobicContact CE1-CB 3.61Å; F53-A91 HydrophobicContact CE2-CB 3.98Å; F53-A91 HydrophobicContact CG-CB 3.78Å; F53-A91 HydrophobicContact CZ-CB 3.83Å; W87-A91 VanDerWaalsContact O-CB 3.3Å; W87-A91 WeakPolarHBondContact O-CB 3.29Å; W87-A91 PolarHBondContact O-N 2.79Å; R88-A91 PolarHBondContact O-N 3.25Å; A91-S93 PolarHBondContact O-N 3.04Å; A91-K94 PolarHBondContact O-N 3Å; A91-K94 VanDerWaalsContact O-N 3.15Å; A91-S95 WeakPolarHBondContact O-CB 3.5Å; A91-S95 PolarHBondContact O-N 3.44Å; A91-Y99 HydrophobicContact CB-CD1 4.4Å; A91-Y99 HydrophobicContact CB-CD2 3.84Å; A91-Y99 HydrophobicContact CB-CE1 3.9Å; A91-Y99 HydrophobicContact CB-CE2 3.23Å; A91-Y99 HydrophobicContact CB-CG 4.37Å; A91-Y99 WeakPolarHBondContact CB-OH 3.42Å
92D98.6Very high98.6Very high59 Ų5933.3 Ų33.332%0.31616%0.163SC..Hα-helixtrans-62.4-31.9178.9-78.7-38.8000110.8R88 Y99 G428R88-D92 IonicContact CZ-OD2 2.71Å; R88-D92 VanDerWaalsContact CZ-OD2 3.32Å; R88-D92 IonicContact NE-OD1 3.86Å; R88-D92 IonicContact NE-OD2 3.91Å; R88-D92 PolarHBondContact NE-OD2 3.49Å; R88-D92 IonicContact NH2-OD1 2.82Å; R88-D92 IonicContact NH2-OD2 3.06Å; R88-D92 PolarHBondContact NH2-OD2 2.66Å; R88-D92 WeakPolarHBondContact O-CB 3.28Å; R88-D92 VanDerWaalsContact O-CG 3.31Å; R88-D92 PolarHBondContact O-N 3.39Å; D92-Y99 PolarHBondContact N-OH 3.41Å; D92-Y99 PolarHBondContact OD1-OH 2.76Å; D92-G428 WeakPolarHBondContact O-CA 3.37Å
93S98.1Very high98.7Very high67 Ų6729.5 Ų29.547%0.46914%0.14SC..Hα-helixtrans-81.3-21.917855.30000114.1E89 W90 A91 E427 G428E89-S93 WeakPolarHBondContact O-CB 3.2Å; E89-S93 PolarHBondContact O-N 2.93Å; E89-S93 PolarHBondContact O-OG 2.98Å; W90-S93 PolarHBondContact O-OG 3.46Å; W90-S93 VanDerWaalsContact O-OG 3.12Å; A91-S93 PolarHBondContact O-N 3.04Å; S93-E427 WeakPolarHBondContact O-CG 3.3Å; S93-G428 WeakPolarHBondContact O-CA 3.16Å; S93-G428 PolarHBondContact O-N 3.2Å
94K98.7Very high98.7Very high46 Ų4629.3 Ų29.320%0.214%0.138CC..Hα-helixtrans-121.1-32.6-167-66.2-173.3172.9-1710116.1D52 F53 Y54 W90 A91 C96 E427 G428D52-K94 WeakPolarHBondContact OD2-CD 3.41Å; D52-K94 IonicContact OD2-NZ 3.51Å; D52-K94 PolarHBondContact OD2-NZ 3.48Å; F53-K94 HydrophobicContact CB-CB 3.7Å; F53-K94 HydrophobicContact CB-CD 4.44Å; Y54-K94 WeakPolarHBondContact CA-O 3.38Å; W90-K94 VanDerWaalsContact O-CB 3.3Å; W90-K94 WeakPolarHBondContact O-CB 3.47Å; W90-K94 VanDerWaalsContact O-CG 3.31Å; W90-K94 WeakPolarHBondContact O-CG 3.41Å; W90-K94 PolarHBondContact O-N 2.74Å; A91-K94 PolarHBondContact O-N 3Å; A91-K94 VanDerWaalsContact O-N 3.15Å; K94-C96 PolarHBondContact O-N 3.08Å; K94-E427 HydrophobicContact CB-CG 4.39Å; K94-G428 PolarHBondContact O-N 2.78Å
95S98.6Very high98.6Very high0 Ų029.2 Ų29.20%014%0.138CC..  trans-59.6133.6-169.9-1700000112.2T57 A91 C97 G428 C429 G430T57-S95 WeakPolarHBondContact CG2-OG 3.27Å; A91-S95 WeakPolarHBondContact O-CB 3.5Å; A91-S95 PolarHBondContact O-N 3.44Å; S95-C97 PolarHBondContact OG-N 3.2Å; S95-C97 PolarHBondContact OG-O 3.48Å; S95-G428 CarbonylContact O-C 3.45Å; S95-G428 WeakPolarHBondContact O-CA 3.2Å; S95-G428 PolarHBondContact O-N 3.19Å; S95-C429 PolarHBondContact O-N 3.28Å; S95-C429 VanDerWaalsContact O-N 3.11Å; S95-G430 WeakPolarHBondContact O-CA 3.21Å; S95-G430 PolarHBondContact O-N 3.06Å
96C98.5Very high98.3Very high0 Ų024 Ų240%012%0.117CC..SBendtrans-92.1-10.7176.4-61.60000113.1Y54 T57 L61 K94 T425 C429Y54-C96 WeakPolarHBondContact CD2-SG 3.17Å; Y54-C96 VanDerWaalsContact CE2-SG 3.54Å; T57-C96 WeakPolarHBondContact OG1-CB 3.46Å; T57-C96 PolarHBondContact OG1-N 2.87Å; L61-C96 HydrophobicContact CD1-CB 3.78Å; K94-C96 PolarHBondContact O-N 3.08Å; C96-T425 HydrophobicContact CB-CG2 4.05Å; C96-C429 PolarHBondContact O-SG 2.89Å
97C98.7Very high98Very high0 Ų024.6 Ų24.60%012%0.12CC..SBendtrans-138167.7178.5700000110.8L61 T66 S95 G430L61-C97 HydrophobicContact CD1-CB 4.17Å; L61-C97 HydrophobicContact CD2-CB 3.84Å; L61-C97 HydrophobicContact CG-CB 4.02Å; T66-C97 WeakPolarHBondContact O-CB 3.15Å; S95-C97 PolarHBondContact OG-N 3.2Å; S95-C97 PolarHBondContact OG-O 3.48Å; C97-G430 VanDerWaalsContact C-CA 3.46Å; C97-G430 WeakPolarHBondContact O-CA 3.25Å
98D98.9Very high97.9Very high0 Ų025.4 Ų25.40%012%0.123CC..EExtended strand (participates in β ladder)trans-60.9146.8178.8-80.3-11000110.6M67 I68 K362 Q413 R431 I433M67-D98 WeakPolarHBondContact CA-O 3.36Å; M67-D98 WeakPolarHBondContact CG-O 3.49Å; I68-D98 PolarHBondContact N-O 3.1Å; D98-K362 IonicContact OD2-NZ 2.76Å; D98-K362 PolarHBondContact OD2-NZ 2.91Å; D98-Q413 PolarHBondContact OD1-NE2 2.95Å; D98-R431 WeakPolarHBondContact CA-O 3.47Å; D98-R431 VanDerWaalsContact OD1-CB 3.31Å; D98-R431 WeakPolarHBondContact OD1-CB 3.39Å; D98-R431 IonicContact OD1-CZ 3.32Å; D98-R431 PolarHBondContact OD1-N 3.37Å; D98-R431 IonicContact OD1-NE 3.64Å; D98-R431 PolarHBondContact OD1-NE 3.34Å; D98-R431 IonicContact OD1-NH2 2.64Å; D98-R431 IonicContact OD2-CZ 3.93Å; D98-R431 IonicContact OD2-NE 3.03Å; D98-R431 IonicContact OD2-NH2 2.74Å; D98-R431 PolarHBondContact OD2-NH2 3.06Å; D98-I433 HydrophobicContact CB-CD1 4.09Å; D98-I433 HydrophobicContact CB-CG1 3.81Å
99Y98.9Very high97.6Very high0 Ų025.5 Ų25.50%013%0.128CC..EExtended strand (participates in β ladder)trans-143.1162.4-178.177.4-78.7000112.7I68 R88 A91 D92 L101 R431 Y432 I433I68-Y99 CarbonylContact O-C 3.55Å; I68-Y99 WeakPolarHBondContact O-CA 3.46Å; R88-Y99 WeakPolarHBondContact CD-OH 3.35Å; R88-Y99 PolarHBondContact NE-OH 3.33Å; R88-Y99 PolarHBondContact O-OH 3.2Å; A91-Y99 HydrophobicContact CB-CD1 4.4Å; A91-Y99 HydrophobicContact CB-CD2 3.84Å; A91-Y99 HydrophobicContact CB-CE1 3.9Å; A91-Y99 HydrophobicContact CB-CE2 3.23Å; A91-Y99 HydrophobicContact CB-CG 4.37Å; A91-Y99 WeakPolarHBondContact CB-OH 3.42Å; D92-Y99 PolarHBondContact N-OH 3.41Å; D92-Y99 PolarHBondContact OD1-OH 2.76Å; Y99-L101 HydrophobicContact CD2-CD2 4.29Å; Y99-L101 HydrophobicContact CD2-CG 4.35Å; Y99-L101 HydrophobicContact CE2-CD1 4.33Å; Y99-L101 HydrophobicContact CE2-CD2 4.3Å; Y99-L101 HydrophobicContact CE2-CG 4.16Å; Y99-R431 PolarHBondContact N-O 3.35Å; Y99-Y432 HydrophobicContact CD2-CD2 4.24Å; Y99-Y432 AromaticContact CE2-CD2 3.78Å; Y99-Y432 HydrophobicContact CE2-CD2 3.78Å; Y99-Y432 CarbonylContact O-C 3.48Å; Y99-Y432 WeakPolarHBondContact O-CA 3.43Å; Y99-I433 PolarHBondContact O-N 3.24Å
100S98.9Very high97.3Very high0 Ų025.5 Ų25.50%013%0.132CC..EExtended strand (participates in β ladder)trans-140.8-177.6166.2-156.80000110I68 I69 D70 I433 R435I68-S100 PolarHBondContact O-N 3.42Å; I69-S100 WeakPolarHBondContact CA-O 3.44Å; D70-S100 PolarHBondContact N-O 2.83Å; S100-I433 WeakPolarHBondContact CB-O 3.3Å; S100-I433 PolarHBondContact OG-O 3.01Å; S100-R435 WeakPolarHBondContact OG-CD 3.42Å; S100-R435 PolarHBondContact OG-NE 2.92Å
101L98.9Very high97.2Very high0 Ų025.9 Ų25.90%014%0.144CC..EExtended strand (participates in β ladder)trans-137.3120.3-170.3-67.1175.7000113.2D70 V72 F84 W87 R88 Y99 Y432 R435D70-L101 HydrophobicContact CB-CD2 3.82Å; D70-L101 CarbonylContact O-C 3.57Å; D70-L101 VanDerWaalsContact O-CA 3.3Å; D70-L101 WeakPolarHBondContact O-CA 3.49Å; V72-L101 HydrophobicContact CG2-CB 3.95Å; V72-L101 HydrophobicContact CG2-CD1 3.93Å; V72-L101 HydrophobicContact CG2-CD2 4.08Å; V72-L101 HydrophobicContact CG2-CG 4.2Å; F84-L101 HydrophobicContact CD2-CB 4.34Å; F84-L101 HydrophobicContact CD2-CD1 3.86Å; F84-L101 HydrophobicContact CE2-CB 4.06Å; F84-L101 HydrophobicContact CE2-CD1 3.67Å; F84-L101 HydrophobicContact CE2-CG 4.45Å; F84-L101 HydrophobicContact CZ-CD1 4.38Å; W87-L101 HydrophobicContact CB-CD1 4.01Å; W87-L101 HydrophobicContact CB-CD2 4.37Å; R88-L101 HydrophobicContact CG-CD1 3.82Å; Y99-L101 HydrophobicContact CD2-CD2 4.29Å; Y99-L101 HydrophobicContact CD2-CG 4.35Å; Y99-L101 HydrophobicContact CE2-CD1 4.33Å; Y99-L101 HydrophobicContact CE2-CD2 4.3Å; Y99-L101 HydrophobicContact CE2-CG 4.16Å; L101-Y432 HydrophobicContact CB-CE2 4.31Å; L101-Y432 HydrophobicContact CD1-CE2 4.24Å; L101-Y432 HydrophobicContact CG-CE2 4.11Å; L101-R435 PolarHBondContact O-NH2 3.12Å
102H98.9Very high97Very high0 Ų026.1 Ų26.10%015%0.145CC..EExtended strand (participates in β ladder)trans-71.6153.9158.5-58.4-54.8000109.5V36 I69 D70 H71 V72 S127 Q160 F356V36-H102 PolarHBondContact O-CD2 2.64Å; V36-H102 PolarHBondContact O-NE2 2.94Å; I69-H102 VanDerWaalsContact CG2-CD2 3.43Å; I69-H102 WeakPolarHBondContact CG2-CD2 3.42Å; I69-H102 VanDerWaalsContact CG2-CE1 3.43Å; I69-H102 WeakPolarHBondContact CG2-CE1 3.47Å; I69-H102 WeakPolarHBondContact CG2-NE2 3.4Å; D70-H102 PolarHBondContact O-N 3.28Å; H71-H102 AromaticContact CD2-CD2 3.91Å; H71-H102 AromaticContact CE1-CD2 3.76Å; H71-H102 AromaticContact CE1-CG 3.93Å; H71-H102 AromaticContact NE2-CD2 3.44Å; H71-H102 PolarHBondContact NE2-CD2 3.24Å; V72-H102 WeakPolarHBondContact CB-O 3.18Å; V72-H102 WeakPolarHBondContact CG2-O 3.34Å; V72-H102 PolarHBondContact N-O 3.15Å; H102-S127 VanDerWaalsContact ND1-CB 3.3Å; H102-S127 WeakPolarHBondContact ND1-CB 3.46Å; H102-S127 PolarHBondContact ND1-OG 3.2Å; H102-Q160 PolarHBondContact CE1-NE2 3.03Å; H102-Q160 PolarHBondContact ND1-NE2 3.35Å; H102-Q160 PolarHBondContact ND1-OE1 2.91Å; H102-Q160 PolarHBondContact NE2-NE2 3.25Å; H102-F356 AromaticContact CE1-CD1 3.87Å; H102-F356 AromaticContact CE1-CE1 3.41Å; H102-F356 VanDerWaalsContact CE1-CE1 3.41Å; H102-F356 WeakPolarHBondContact CE1-CE1 3.45Å; H102-F356 AromaticContact CE1-CZ 3.63Å
103V98.9Very high97Very high0 Ų026.4 Ų26.40%015%0.145CC..EExtended strand (participates in β ladder)trans-123.9123.9173.6179.60000109.4V72 L80 F84 L119 V125 S127 F128 L129V72-V103 HydrophobicContact CB-CG2 4.19Å; V72-V103 HydrophobicContact CG2-CG2 4.29Å; L80-V103 HydrophobicContact CB-CG1 4.27Å; L80-V103 HydrophobicContact CD1-CG1 4.47Å; L80-V103 HydrophobicContact CD2-CG1 4.2Å; F84-V103 HydrophobicContact CD2-CG2 4.19Å; V103-L119 HydrophobicContact CB-CD1 4.34Å; V103-L119 HydrophobicContact CG1-CD1 3.96Å; V103-L119 HydrophobicContact CG2-CD1 4.11Å; V103-V125 HydrophobicContact CB-CG1 4.44Å; V103-V125 HydrophobicContact CG2-CG1 3.96Å; V103-V125 HydrophobicContact CG2-CG2 4.1Å; V103-S127 PolarHBondContact N-O 2.86Å; V103-F128 HydrophobicContact CB-CD1 3.95Å; V103-F128 HydrophobicContact CB-CE1 4.07Å; V103-F128 HydrophobicContact CG1-CD1 4.45Å; V103-F128 WeakPolarHBondContact O-CA 3.49Å; V103-L129 PolarHBondContact O-N 3.32Å; V103-L129 VanDerWaalsContact O-N 3.08Å
104D98.5Very high97Very high0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-86.6140.8-178-68.918.2000110.5H71 V72 P74 L129 Y131H71-D104 IonicContact CE1-OD1 3.35Å; H71-D104 IonicContact CG-OD1 3.18Å; H71-D104 IonicContact ND1-OD1 2.96Å; H71-D104 PolarHBondContact ND1-OD1 3.41Å; H71-D104 IonicContact ND1-OD2 2.82Å; V72-D104 WeakPolarHBondContact O-CB 3.44Å; V72-D104 PolarHBondContact O-N 3.31Å; P74-D104 WeakPolarHBondContact CD-O 3.33Å; P74-D104 WeakPolarHBondContact CG-O 3.29Å; D104-L129 CarbonylContact C-O 3.56Å; D104-L129 WeakPolarHBondContact CA-O 3.48Å; D104-L129 WeakPolarHBondContact OD1-CB 3.41Å; D104-Y131 HydrophobicContact CB-CE2 3.98Å; D104-Y131 PolarHBondContact OD2-OH 3.39Å
105I97.7Very high97Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-106.191.3-179.2-51.7-60.1000107.8L80 E107 W108 T112 M116 F128 L129 V130 L140L80-I105 HydrophobicContact CD1-CD1 3.58Å; L80-I105 HydrophobicContact CD2-CD1 4.32Å; I105-E107 VanDerWaalsContact CG2-O 3.26Å; I105-E107 WeakPolarHBondContact CG2-O 3.47Å; I105-W108 HydrophobicContact CG2-CE3 4.26Å; I105-T112 HydrophobicContact CD1-CG2 4.29Å; I105-T112 HydrophobicContact CG2-CG2 4.01Å; I105-M116 HydrophobicContact CD1-CG 3.98Å; I105-M116 HydrophobicContact CD1-SD 3.91Å; I105-M116 HydrophobicContact CG1-SD 4.49Å; I105-F128 HydrophobicContact CD1-CD1 3.89Å; I105-F128 HydrophobicContact CG1-CB 4.13Å; I105-F128 HydrophobicContact CG1-CD1 4.41Å; I105-L129 PolarHBondContact N-O 3.05Å; I105-V130 HydrophobicContact CB-CG1 4.16Å; I105-L140 HydrophobicContact CG2-CD1 4.27Å
106A91.6Very high97Very high12 Ų1229 Ų2910%0.09915%0.15CC..  trans-76.7-25.6179.300000113.4P74 F138P74-A106 HydrophobicContact CG-CB 4.32Å; A106-F138 HydrophobicContact CB-CD1 3.54Å; A106-F138 HydrophobicContact CB-CE1 4Å
107E93.1Very high97Very high81 Ų8131.9 Ų31.938%0.37916%0.163SC..SBendtrans-144.8155.7-178.557.9176.5-133.800110.2G77 I105 T112G77-E107 PolarHBondContact N-OE2 3.03Å; I105-E107 VanDerWaalsContact CG2-O 3.26Å; I105-E107 WeakPolarHBondContact CG2-O 3.47Å; E107-T112 WeakPolarHBondContact O-CG2 3.37Å
108W95.3Very high96.9Very high26 Ų2634.3 Ų34.310%0.09818%0.178CC..  trans-127.5121.3-178.4-176-110.5000112.7I105 T112 Q113 M116 L140 Q144 E147 V148 V151I105-W108 HydrophobicContact CG2-CE3 4.26Å; W108-T112 HydrophobicContact CE3-CG2 3.91Å; W108-T112 HydrophobicContact CZ3-CG2 4.1Å; W108-Q113 HydrophobicContact CH2-CB 3.93Å; W108-Q113 HydrophobicContact CZ2-CB 4.5Å; W108-Q113 HydrophobicContact CZ3-CB 4.46Å; W108-M116 HydrophobicContact CH2-SD 4.22Å; W108-M116 HydrophobicContact CZ3-SD 3.6Å; W108-M116 VanDerWaalsContact CZ3-SD 3.6Å; W108-L140 HydrophobicContact CB-CD2 4.26Å; W108-Q144 HydrophobicContact CB-CB 4.12Å; W108-Q144 HydrophobicContact CB-CG 4.11Å; W108-Q144 HydrophobicContact CG-CB 4.21Å; W108-Q144 HydrophobicContact CG-CG 4.32Å; W108-E147 HydrophobicContact CZ2-CB 4Å; W108-E147 PolarHBondContact NE1-OE2 3.37Å; W108-V148 HydrophobicContact CD2-CG2 3.45Å; W108-V148 VanDerWaalsContact CD2-CG2 3.45Å; W108-V148 HydrophobicContact CE3-CG2 3.31Å; W108-V148 HydrophobicContact CG-CG2 4.04Å; W108-V148 HydrophobicContact CH2-CG2 4.05Å; W108-V148 HydrophobicContact CZ2-CG2 4.2Å; W108-V148 HydrophobicContact CZ3-CB 4.42Å; W108-V148 HydrophobicContact CZ3-CG2 3.63Å; W108-V151 HydrophobicContact CH2-CB 4.12Å; W108-V151 HydrophobicContact CH2-CG1 4.38Å; W108-V151 HydrophobicContact CH2-CG2 3.85Å; W108-V151 HydrophobicContact CZ2-CG2 4.06Å
109N93.4Very high96.9Very high64 Ų6434.3 Ų34.334%0.34218%0.178SC..SBendtrans-157.1176.4171.461.663.4000110.3S111 T112 Q113N109-S111 VanDerWaalsContact C-N 3.27Å; N109-S111 PolarHBondContact O-N 3.36Å; N109-S111 WeakPolarHBondContact OD1-CA 3.33Å; N109-S111 WeakPolarHBondContact OD1-CB 3.45Å; N109-S111 PolarHBondContact OD1-N 3.12Å; N109-T112 PolarHBondContact N-OG1 3.36Å; N109-T112 PolarHBondContact ND2-OG1 2.8Å; N109-T112 VanDerWaalsContact O-CB 3.27Å; N109-T112 WeakPolarHBondContact O-CB 3.34Å; N109-T112 PolarHBondContact O-N 3.47Å; N109-T112 VanDerWaalsContact O-N 3.13Å; N109-T112 PolarHBondContact O-OG1 3.41Å; N109-T112 PolarHBondContact OD1-N 2.76Å; N109-T112 PolarHBondContact OD1-OG1 3.37Å; N109-Q113 PolarHBondContact O-N 3.49Å
110N92.9Very high96.9Very high124 Ų12434.7 Ų34.766%0.66318%0.181SC*.Hα-helixtrans-61.1-32.8-179.2-68-10.4000113.4Q113 E114N110-Q113 WeakPolarHBondContact O-CB 3.4Å; N110-Q113 PolarHBondContact O-N 3.29Å; N110-E114 PolarHBondContact O-N 3.48Å
111S94.8Very high96.9Very high65 Ų6541.2 Ų41.246%0.45521%0.209SC..Hα-helixtrans-66.1-40.8176.2-169.20000110.7N109 Q113 E114 E115N109-S111 VanDerWaalsContact C-N 3.27Å; N109-S111 PolarHBondContact O-N 3.36Å; N109-S111 WeakPolarHBondContact OD1-CA 3.33Å; N109-S111 WeakPolarHBondContact OD1-CB 3.45Å; N109-S111 PolarHBondContact OD1-N 3.12Å; S111-Q113 VanDerWaalsContact C-N 3.27Å; S111-Q113 PolarHBondContact O-N 2.92Å; S111-E114 PolarHBondContact O-N 3.31Å; S111-E115 WeakPolarHBondContact O-CG 3.45Å; S111-E115 PolarHBondContact O-N 2.92Å
112T96.1Very high96.9Very high4 Ų447 Ų473%0.02524%0.24CC..Hα-helixtrans-56.2-43.2174.7-45.80000111.2L80 I105 E107 W108 N109 E115 M116L80-T112 HydrophobicContact CD1-CG2 3.75Å; L80-T112 HydrophobicContact CG-CG2 4.41Å; I105-T112 HydrophobicContact CD1-CG2 4.29Å; I105-T112 HydrophobicContact CG2-CG2 4.01Å; E107-T112 WeakPolarHBondContact O-CG2 3.37Å; W108-T112 HydrophobicContact CE3-CG2 3.91Å; W108-T112 HydrophobicContact CZ3-CG2 4.1Å; N109-T112 PolarHBondContact N-OG1 3.36Å; N109-T112 PolarHBondContact ND2-OG1 2.8Å; N109-T112 VanDerWaalsContact O-CB 3.27Å; N109-T112 WeakPolarHBondContact O-CB 3.34Å; N109-T112 PolarHBondContact O-N 3.47Å; N109-T112 VanDerWaalsContact O-N 3.13Å; N109-T112 PolarHBondContact O-OG1 3.41Å; N109-T112 PolarHBondContact OD1-N 2.76Å; N109-T112 PolarHBondContact OD1-OG1 3.37Å; T112-E115 PolarHBondContact O-N 2.86Å; T112-M116 VanDerWaalsContact O-CG 3.31Å; T112-M116 WeakPolarHBondContact O-CG 3.42Å; T112-M116 PolarHBondContact O-N 3.07Å
113Q97.3Very high96.8Very high66 Ų6649 Ų4931%0.30825%0.249SC..Hα-helixtrans-59.8-48.3176.7174176.8-21.400111.9W108 N109 N110 S111 E115 M116 E117 V151W108-Q113 HydrophobicContact CH2-CB 3.93Å; W108-Q113 HydrophobicContact CZ2-CB 4.5Å; W108-Q113 HydrophobicContact CZ3-CB 4.46Å; N109-Q113 PolarHBondContact O-N 3.49Å; N110-Q113 WeakPolarHBondContact O-CB 3.4Å; N110-Q113 PolarHBondContact O-N 3.29Å; S111-Q113 VanDerWaalsContact C-N 3.27Å; S111-Q113 PolarHBondContact O-N 2.92Å; Q113-E115 VanDerWaalsContact C-N 3.31Å; Q113-E115 PolarHBondContact O-N 3.02Å; Q113-M116 WeakPolarHBondContact O-CB 3.3Å; Q113-M116 PolarHBondContact O-N 3.22Å; Q113-E117 VanDerWaalsContact O-CG 3.29Å; Q113-E117 WeakPolarHBondContact O-CG 3.23Å; Q113-E117 PolarHBondContact O-N 3.08Å; Q113-E117 VanDerWaalsContact O-N 3.08Å; Q113-V151 HydrophobicContact CG-CG1 3.95Å; Q113-V151 HydrophobicContact CG-CG2 4.02Å
114E97.9Very high96.8Very high131 Ų13149.2 Ų49.261%0.61225%0.251SS*.Hα-helixtrans-60.9-39.8178.9-68.4177.7-17300112.2N110 S111 E117 T118N110-E114 PolarHBondContact O-N 3.48Å; S111-E114 PolarHBondContact O-N 3.31Å; E114-E117 PolarHBondContact O-N 2.93Å; E114-T118 PolarHBondContact O-N 3.02Å; E114-T118 VanDerWaalsContact O-N 3.07Å; E114-T118 PolarHBondContact O-OG1 2.88Å
115E98.3Very high96.8Very high36 Ų3649.2 Ų49.217%0.16825%0.251CS..Hα-helixtrans-66.8-38.6175.7-69.1-166.7132.100112.4S79 L80 V81 S111 T112 Q113 E117 T118 L119S79-E115 WeakPolarHBondContact CB-OE1 3.41Å; S79-E115 PolarHBondContact OG-OE1 3.28Å; L80-E115 HydrophobicContact CB-CB 4.14Å; L80-E115 WeakPolarHBondContact CB-OE2 3.43Å; L80-E115 HydrophobicContact CD1-CB 4.19Å; L80-E115 HydrophobicContact CG-CB 4.37Å; L80-E115 WeakPolarHBondContact CG-OE2 3.34Å; L80-E115 PolarHBondContact N-OE2 3.28Å; V81-E115 HydrophobicContact CG2-CB 4.18Å; V81-E115 HydrophobicContact CG2-CG 4.29Å; S111-E115 WeakPolarHBondContact O-CG 3.45Å; S111-E115 PolarHBondContact O-N 2.92Å; T112-E115 PolarHBondContact O-N 2.86Å; Q113-E115 VanDerWaalsContact C-N 3.31Å; Q113-E115 PolarHBondContact O-N 3.02Å; E115-E117 VanDerWaalsContact C-N 3.3Å; E115-E117 PolarHBondContact O-N 3.25Å; E115-T118 WeakPolarHBondContact O-CB 3.38Å; E115-T118 PolarHBondContact O-N 3.28Å; E115-L119 WeakPolarHBondContact O-CB 3.33Å; E115-L119 VanDerWaalsContact O-CG 3.3Å; E115-L119 WeakPolarHBondContact O-CG 3.2Å; E115-L119 PolarHBondContact O-N 2.74Å
116M98.7Very high96.9Very high0 Ų049.5 Ų49.50%025%0.253CS..Hα-helixtrans-60-41.1172.4-71.8171.564.700111.5L80 I105 W108 T112 Q113 T118 L119 V120 F128 V151 V152 L155L80-M116 HydrophobicContact CD1-CG 3.96Å; I105-M116 HydrophobicContact CD1-CG 3.98Å; I105-M116 HydrophobicContact CD1-SD 3.91Å; I105-M116 HydrophobicContact CG1-SD 4.49Å; W108-M116 HydrophobicContact CH2-SD 4.22Å; W108-M116 HydrophobicContact CZ3-SD 3.6Å; W108-M116 VanDerWaalsContact CZ3-SD 3.6Å; T112-M116 VanDerWaalsContact O-CG 3.31Å; T112-M116 WeakPolarHBondContact O-CG 3.42Å; T112-M116 PolarHBondContact O-N 3.07Å; Q113-M116 WeakPolarHBondContact O-CB 3.3Å; Q113-M116 PolarHBondContact O-N 3.22Å; M116-T118 VanDerWaalsContact C-N 3.32Å; M116-T118 PolarHBondContact O-N 3.28Å; M116-L119 PolarHBondContact O-N 3.44Å; M116-V120 VanDerWaalsContact O-CG2 3.3Å; M116-V120 WeakPolarHBondContact O-CG2 3.43Å; M116-V120 PolarHBondContact O-N 3.1Å; M116-F128 HydrophobicContact CB-CE1 4.17Å; M116-F128 HydrophobicContact CB-CE2 4.5Å; M116-F128 HydrophobicContact CB-CZ 3.93Å; M116-F128 HydrophobicContact CE-CB 4.49Å; M116-F128 HydrophobicContact CE-CD1 4.31Å; M116-F128 HydrophobicContact CE-CD2 3.83Å; M116-F128 HydrophobicContact CE-CE2 4.05Å; M116-F128 HydrophobicContact CE-CG 3.95Å; M116-F128 HydrophobicContact CE-CZ 4.38Å; M116-F128 HydrophobicContact CG-CD1 4.17Å; M116-F128 HydrophobicContact CG-CE1 3.79Å; M116-F128 HydrophobicContact CG-CZ 4.04Å; M116-V151 HydrophobicContact CE-CG1 3.97Å; M116-V151 HydrophobicContact SD-CG1 4.42Å; M116-V152 HydrophobicContact CE-CG2 3.58Å; M116-L155 HydrophobicContact CB-CD1 3.9Å; M116-L155 HydrophobicContact CE-CD1 4.46Å
117E98.4Very high97.2Very high60 Ų6048.9 Ų48.928%0.2825%0.248SC..Hα-helixtrans-62-43.4175.9-47.1-155.3168.500111.7Q113 E114 E115 V120 K121 L155Q113-E117 VanDerWaalsContact O-CG 3.29Å; Q113-E117 WeakPolarHBondContact O-CG 3.23Å; Q113-E117 PolarHBondContact O-N 3.08Å; Q113-E117 VanDerWaalsContact O-N 3.08Å; E114-E117 PolarHBondContact O-N 2.93Å; E115-E117 VanDerWaalsContact C-N 3.3Å; E115-E117 PolarHBondContact O-N 3.25Å; E117-V120 PolarHBondContact O-N 3.47Å; E117-K121 HydrophobicContact CB-CD 4.44Å; E117-K121 WeakPolarHBondContact O-CB 3.48Å; E117-K121 VanDerWaalsContact O-CG 3.27Å; E117-K121 WeakPolarHBondContact O-CG 3.35Å; E117-K121 PolarHBondContact O-N 2.92Å; E117-K121 IonicContact OE2-NZ 2.65Å; E117-K121 PolarHBondContact OE2-NZ 3.49Å; E117-L155 HydrophobicContact CB-CD2 4.14Å; E117-L155 HydrophobicContact CG-CD1 4.45Å; E117-L155 HydrophobicContact CG-CD2 3.91Å
118T98.6Very high97.5Very high51 Ų5145.1 Ų45.131%0.31323%0.23SC..Hα-helixtrans-61.3-45.5177.8-56.80000110.6V81 E114 E115 M116 V120 K121 D122V81-T118 HydrophobicContact CG2-CG2 4.19Å; E114-T118 PolarHBondContact O-N 3.02Å; E114-T118 VanDerWaalsContact O-N 3.07Å; E114-T118 PolarHBondContact O-OG1 2.88Å; E115-T118 WeakPolarHBondContact O-CB 3.38Å; E115-T118 PolarHBondContact O-N 3.28Å; M116-T118 VanDerWaalsContact C-N 3.32Å; M116-T118 PolarHBondContact O-N 3.28Å; T118-V120 VanDerWaalsContact C-N 3.31Å; T118-V120 PolarHBondContact O-N 3.03Å; T118-K121 PolarHBondContact O-N 3.04Å; T118-D122 WeakPolarHBondContact O-CB 3.39Å; T118-D122 PolarHBondContact O-N 3.4Å
119L98.8Very high97.7Very high0 Ų043.9 Ų43.90%023%0.226CC..Hα-helixtrans-61.4-38.8178-73.9167.3000112.5L80 V81 F84 V103 E115 M116 H123 G124 V125 F128L80-L119 HydrophobicContact CB-CD1 3.78Å; L80-L119 HydrophobicContact CD1-CD1 4.26Å; V81-L119 HydrophobicContact CG2-CD2 4.3Å; V81-L119 HydrophobicContact CG2-CG 4.15Å; F84-L119 HydrophobicContact CB-CD2 3.72Å; F84-L119 HydrophobicContact CD1-CD2 4.08Å; F84-L119 HydrophobicContact CD2-CD2 3.97Å; F84-L119 HydrophobicContact CG-CD2 3.65Å; V103-L119 HydrophobicContact CB-CD1 4.34Å; V103-L119 HydrophobicContact CG1-CD1 3.96Å; V103-L119 HydrophobicContact CG2-CD1 4.11Å; E115-L119 WeakPolarHBondContact O-CB 3.33Å; E115-L119 VanDerWaalsContact O-CG 3.3Å; E115-L119 WeakPolarHBondContact O-CG 3.2Å; E115-L119 PolarHBondContact O-N 2.74Å; M116-L119 PolarHBondContact O-N 3.44Å; L119-H123 HydrophobicContact CD2-CB 4.23Å; L119-H123 CarbonylContact O-C 3.52Å; L119-H123 WeakPolarHBondContact O-CA 3.45Å; L119-H123 WeakPolarHBondContact O-CB 3.39Å; L119-H123 PolarHBondContact O-N 3.49Å; L119-G124 PolarHBondContact O-N 2.92Å; L119-V125 HydrophobicContact CB-CB 4.06Å; L119-V125 HydrophobicContact CB-CG2 4.16Å; L119-V125 HydrophobicContact CD2-CG2 4.24Å; L119-V125 PolarHBondContact O-N 3.3Å; L119-F128 HydrophobicContact CB-CE1 4.45Å; L119-F128 HydrophobicContact CB-CZ 4.34Å; L119-F128 HydrophobicContact CD1-CE1 4.08Å
120V98.8Very high97.9Very high8 Ų840.9 Ų40.95%0.04821%0.21CC..Hα-helixtrans-72.5-47.7177.9174.10000112.1M116 E117 T118 V125 F128 L155 P437M116-V120 VanDerWaalsContact O-CG2 3.3Å; M116-V120 WeakPolarHBondContact O-CG2 3.43Å; M116-V120 PolarHBondContact O-N 3.1Å; E117-V120 PolarHBondContact O-N 3.47Å; T118-V120 VanDerWaalsContact C-N 3.31Å; T118-V120 PolarHBondContact O-N 3.03Å; V120-V125 VanDerWaalsContact CA-O 3.28Å; V120-V125 WeakPolarHBondContact CA-O 3.32Å; V120-V125 VanDerWaalsContact CG2-O 3.29Å; V120-V125 WeakPolarHBondContact CG2-O 3.31Å; V120-F128 HydrophobicContact CG2-CE2 3.67Å; V120-F128 HydrophobicContact CG2-CZ 3.77Å; V120-L155 HydrophobicContact CG2-CB 4.19Å; V120-L155 HydrophobicContact CG2-CD1 4.17Å; V120-P437 HydrophobicContact CG1-CB 3.76Å; V120-P437 HydrophobicContact CG1-CG 3.83Å
121K98Very high98.2Very high138 Ų13835 Ų3560%0.618%0.178SC*.Hα-helixtrans-73.7-45.2-173.7-70.4168-178.4165.70112E117 T118E117-K121 HydrophobicContact CB-CD 4.44Å; E117-K121 WeakPolarHBondContact O-CB 3.48Å; E117-K121 VanDerWaalsContact O-CG 3.27Å; E117-K121 WeakPolarHBondContact O-CG 3.35Å; E117-K121 PolarHBondContact O-N 2.92Å; E117-K121 IonicContact OE2-NZ 2.65Å; E117-K121 PolarHBondContact OE2-NZ 3.49Å; T118-K121 PolarHBondContact O-N 3.04Å
122D98.3Very high98.4Very high120 Ų12032 Ų3264%0.64216%0.157SC*.Hα-helixtrans-109-24.6-165.2-56.5-28.8000112.9T118T118-D122 WeakPolarHBondContact O-CB 3.39Å; T118-D122 PolarHBondContact O-N 3.4Å
123H98.4Very high98.4Very high44 Ų4431.8 Ų31.820%0.20416%0.156CC..SBendtrans-110.8-8.9-174.7-64.6-62.9000114.9F84 L119 Y432F84-H123 HydrophobicContact CD1-CB 4.27Å; F84-H123 HydrophobicContact CE1-CB 3.62Å; F84-H123 AromaticContact CE1-CG 3.69Å; F84-H123 AromaticContact CE1-ND1 3.65Å; F84-H123 HydrophobicContact CE2-CB 4.46Å; F84-H123 HydrophobicContact CZ-CB 3.73Å; L119-H123 HydrophobicContact CD2-CB 4.23Å; L119-H123 CarbonylContact O-C 3.52Å; L119-H123 WeakPolarHBondContact O-CA 3.45Å; L119-H123 WeakPolarHBondContact O-CB 3.39Å; L119-H123 PolarHBondContact O-N 3.49Å; H123-Y432 WeakPolarHBondContact O-CE1 3.34Å; H123-Y432 PolarHBondContact O-OH 3.01Å
124G98.3Very high98.4Very high4 Ų430.8 Ų30.84%0.04115%0.149CC..  trans76.429.8176.200000114.5L119 Y432 S434 R435L119-G124 PolarHBondContact O-N 2.92Å; G124-Y432 PolarHBondContact O-OH 3.04Å; G124-S434 VanDerWaalsContact CA-OG 3.27Å; G124-S434 WeakPolarHBondContact CA-OG 3.42Å; G124-R435 CarbonylContact C-O 3.55Å; G124-R435 PolarHBondContact O-N 3.02Å
125V98.8Very high98.3Very high0 Ų028 Ų280%014%0.135CC..  trans-88.7135171.5179.90000109.4F84 V103 L119 V120 F128F84-V125 HydrophobicContact CD2-CG2 3.99Å; F84-V125 HydrophobicContact CE2-CG2 3.62Å; F84-V125 HydrophobicContact CZ-CG2 4.39Å; V103-V125 HydrophobicContact CB-CG1 4.44Å; V103-V125 HydrophobicContact CG2-CG1 3.96Å; V103-V125 HydrophobicContact CG2-CG2 4.1Å; L119-V125 HydrophobicContact CB-CB 4.06Å; L119-V125 HydrophobicContact CB-CG2 4.16Å; L119-V125 HydrophobicContact CD2-CG2 4.24Å; L119-V125 PolarHBondContact O-N 3.3Å; V120-V125 VanDerWaalsContact CA-O 3.28Å; V120-V125 WeakPolarHBondContact CA-O 3.32Å; V120-V125 VanDerWaalsContact CG2-O 3.29Å; V120-V125 WeakPolarHBondContact CG2-O 3.31Å; V125-F128 HydrophobicContact CG1-CE1 3.98Å; V125-F128 HydrophobicContact CG1-CE2 4.47Å; V125-F128 HydrophobicContact CG1-CZ 3.94Å
126N98.6Very high98.1Very high5 Ų533.6 Ų33.63%0.02717%0.166CC..  trans-13625.5177.271.4-5.8000113.1A157 I158 F356 R435 K436N126-A157 CarbonylContact O-C 3.47Å; N126-A157 WeakPolarHBondContact O-CA 3.42Å; N126-A157 WeakPolarHBondContact O-CB 3.41Å; N126-I158 PolarHBondContact O-N 2.79Å; N126-F356 PolarHBondContact ND2-O 3.23Å; N126-R435 HydrophobicContact CB-CB 4.42Å; N126-R435 WeakPolarHBondContact ND2-CB 3.49Å; N126-R435 PolarHBondContact OD1-NE 3.27Å; N126-K436 PolarHBondContact ND2-O 3Å
127S98.9Very high97.8Very high0 Ų037.5 Ų37.50%019%0.19CC..EExtended strand (participates in β ladder)trans-158128.1-171.553.70000109.9H102 V103 I158 R435H102-S127 VanDerWaalsContact ND1-CB 3.3Å; H102-S127 WeakPolarHBondContact ND1-CB 3.46Å; H102-S127 PolarHBondContact ND1-OG 3.2Å; V103-S127 PolarHBondContact N-O 2.86Å; S127-I158 WeakPolarHBondContact CA-O 3.38Å; S127-R435 PolarHBondContact OG-NH1 3.12Å; S127-R435 PolarHBondContact OG-NH2 3.12Å
128F98.9Very high97.7Very high2 Ų236.6 Ų36.61%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-132.6133.7-177.4-62.9-82.3000110.8V103 I105 M116 L119 V120 V125 V152 A157 I158 Q160V103-F128 HydrophobicContact CB-CD1 3.95Å; V103-F128 HydrophobicContact CB-CE1 4.07Å; V103-F128 HydrophobicContact CG1-CD1 4.45Å; V103-F128 WeakPolarHBondContact O-CA 3.49Å; I105-F128 HydrophobicContact CD1-CD1 3.89Å; I105-F128 HydrophobicContact CG1-CB 4.13Å; I105-F128 HydrophobicContact CG1-CD1 4.41Å; M116-F128 HydrophobicContact CB-CE1 4.17Å; M116-F128 HydrophobicContact CB-CE2 4.5Å; M116-F128 HydrophobicContact CB-CZ 3.93Å; M116-F128 HydrophobicContact CE-CB 4.49Å; M116-F128 HydrophobicContact CE-CD1 4.31Å; M116-F128 HydrophobicContact CE-CD2 3.83Å; M116-F128 HydrophobicContact CE-CE2 4.05Å; M116-F128 HydrophobicContact CE-CG 3.95Å; M116-F128 HydrophobicContact CE-CZ 4.38Å; M116-F128 HydrophobicContact CG-CD1 4.17Å; M116-F128 HydrophobicContact CG-CE1 3.79Å; M116-F128 HydrophobicContact CG-CZ 4.04Å; L119-F128 HydrophobicContact CB-CE1 4.45Å; L119-F128 HydrophobicContact CB-CZ 4.34Å; L119-F128 HydrophobicContact CD1-CE1 4.08Å; V120-F128 HydrophobicContact CG2-CE2 3.67Å; V120-F128 HydrophobicContact CG2-CZ 3.77Å; V125-F128 HydrophobicContact CG1-CE1 3.98Å; V125-F128 HydrophobicContact CG1-CE2 4.47Å; V125-F128 HydrophobicContact CG1-CZ 3.94Å; F128-V152 HydrophobicContact CB-CG2 4.34Å; F128-V152 HydrophobicContact CD2-CG2 4.11Å; F128-A157 HydrophobicContact CD2-CB 3.87Å; F128-A157 HydrophobicContact CE2-CB 3.82Å; F128-I158 PolarHBondContact N-O 2.69Å; F128-Q160 PolarHBondContact O-N 2.52Å
129L98.8Very high97.6Very high0 Ų036.1 Ų36.10%018%0.179CC..EExtended strand (participates in β ladder)trans-101.6132.5179.6-174.9146.2000111.4H71 V103 D104 I105 Y131 Q160 H162 T217H71-L129 VanDerWaalsContact CE1-CD1 3.47Å; H71-L129 WeakPolarHBondContact CE1-CD1 3.35Å; V103-L129 PolarHBondContact O-N 3.32Å; V103-L129 VanDerWaalsContact O-N 3.08Å; D104-L129 CarbonylContact C-O 3.56Å; D104-L129 WeakPolarHBondContact CA-O 3.48Å; D104-L129 WeakPolarHBondContact OD1-CB 3.41Å; I105-L129 PolarHBondContact N-O 3.05Å; L129-Y131 HydrophobicContact CD2-CD1 4.02Å; L129-Y131 HydrophobicContact CD2-CD2 3.72Å; L129-Y131 HydrophobicContact CD2-CE1 3.65Å; L129-Y131 HydrophobicContact CD2-CE2 3.31Å; L129-Y131 HydrophobicContact CD2-CG 4.06Å; L129-Q160 CarbonylContact C-O 3.58Å; L129-Q160 WeakPolarHBondContact CA-O 3.22Å; L129-Q160 HydrophobicContact CB-CB 3.83Å; L129-Q160 HydrophobicContact CD1-CB 4.17Å; L129-Q160 HydrophobicContact CG-CB 4.09Å; L129-H162 HydrophobicContact CD2-CB 4.29Å; L129-T217 HydrophobicContact CD1-CG2 3.81Å
130V98.7Very high97.6Very high1 Ų136.3 Ų36.31%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-112156.5169-60.90000110.9I105 L132 L140 V148 F149 Q160 V161 H162I105-V130 HydrophobicContact CB-CG1 4.16Å; V130-L132 HydrophobicContact CG2-CD1 4.43Å; V130-L140 HydrophobicContact CB-CD1 4.03Å; V130-L140 HydrophobicContact CG1-CD1 3.79Å; V130-V148 HydrophobicContact CG1-CB 4.36Å; V130-V148 HydrophobicContact CG1-CG1 3.7Å; V130-V148 HydrophobicContact CG1-CG2 4.45Å; V130-F149 HydrophobicContact CG2-CE1 3.81Å; V130-F149 HydrophobicContact CG2-CZ 4.31Å; V130-Q160 PolarHBondContact N-O 3.35Å; V130-V161 HydrophobicContact CG2-CB 4.47Å; V130-V161 HydrophobicContact CG2-CG1 4.35Å; V130-V161 HydrophobicContact CG2-CG2 3.83Å; V130-V161 WeakPolarHBondContact O-CA 3.35Å; V130-H162 PolarHBondContact O-N 2.89Å
131Y98.5Very high97.6Very high1 Ų138.5 Ų38.50%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-111.5127.4179.7-66.1-87.6000110.8R39 D104 L129 Y134 F138 Q139 L140 H162R39-Y131 PolarHBondContact NH2-OH 3.22Å; D104-Y131 HydrophobicContact CB-CE2 3.98Å; D104-Y131 PolarHBondContact OD2-OH 3.39Å; L129-Y131 HydrophobicContact CD2-CD1 4.02Å; L129-Y131 HydrophobicContact CD2-CD2 3.72Å; L129-Y131 HydrophobicContact CD2-CE1 3.65Å; L129-Y131 HydrophobicContact CD2-CE2 3.31Å; L129-Y131 HydrophobicContact CD2-CG 4.06Å; Y131-Y134 AromaticContact CD1-CD2 3.48Å; Y131-Y134 HydrophobicContact CD1-CD2 3.48Å; Y131-Y134 VanDerWaalsContact CD1-CD2 3.48Å; Y131-Y134 AromaticContact CD1-CE2 3.56Å; Y131-Y134 HydrophobicContact CD1-CE2 3.56Å; Y131-Y134 AromaticContact CE1-CD2 3.96Å; Y131-Y134 HydrophobicContact CE1-CD2 3.96Å; Y131-Y134 AromaticContact CE1-CE2 3.68Å; Y131-Y134 HydrophobicContact CE1-CE2 3.68Å; Y131-Y134 HydrophobicContact CG-CD2 4.22Å; Y131-F138 HydrophobicContact CD2-CB 3.67Å; Y131-F138 HydrophobicContact CD2-CG 4.24Å; Y131-F138 HydrophobicContact CE2-CB 4.36Å; Y131-F138 HydrophobicContact CE2-CG 4.46Å; Y131-F138 HydrophobicContact CG-CB 3.77Å; Y131-Q139 WeakPolarHBondContact O-CA 3.34Å; Y131-L140 PolarHBondContact O-N 2.89Å; Y131-H162 HydrophobicContact CD1-CB 3.62Å; Y131-H162 AromaticContact CD1-CD2 3.7Å; Y131-H162 AromaticContact CD1-CG 3.83Å; Y131-H162 HydrophobicContact CE1-CB 3.92Å; Y131-H162 HydrophobicContact CG-CB 4.49Å
132L98.6Very high97.6Very high1 Ų135.3 Ų35.31%0.00519%0.185CC..SBendtrans-93.7-7165.4-81.763.7000111.7V130 Q139 I145 V161 H162 E164 G166 A199 S203V130-L132 HydrophobicContact CG2-CD1 4.43Å; L132-Q139 WeakPolarHBondContact O-CG 3.41Å; L132-Q139 PolarHBondContact O-NE2 3.41Å; L132-I145 HydrophobicContact CD1-CD1 3.42Å; L132-I145 VanDerWaalsContact CD1-CD1 3.42Å; L132-I145 HydrophobicContact CD1-CG1 4.34Å; L132-I145 HydrophobicContact CD2-CD1 4.43Å; L132-I145 HydrophobicContact CG-CD1 3.69Å; L132-V161 HydrophobicContact CD1-CG1 3.46Å; L132-V161 VanDerWaalsContact CD1-CG1 3.46Å; L132-H162 PolarHBondContact N-O 3.24Å; L132-H162 VanDerWaalsContact N-O 3.1Å; L132-E164 CarbonylContact C-O 3.4Å; L132-E164 WeakPolarHBondContact CB-O 3.4Å; L132-G166 WeakPolarHBondContact O-CA 3.5Å; L132-G166 PolarHBondContact O-N 3.44Å; L132-A199 HydrophobicContact CD2-CB 3.88Å; L132-S203 WeakPolarHBondContact CD2-OG 3.43Å
133A97.5Very high97.6Very high0 Ų033.1 Ų33.10%018%0.179CC..  trans-110.4-175.3178.200000111.6Q139 H162 E164A133-Q139 VanDerWaalsContact O-CA 3.3Å; A133-Q139 WeakPolarHBondContact O-CA 3.29Å; A133-Q139 VanDerWaalsContact O-CB 3.3Å; A133-Q139 WeakPolarHBondContact O-CB 3.27Å; A133-Q139 PolarHBondContact O-N 2.84Å; A133-H162 WeakPolarHBondContact CB-NE2 3.47Å; A133-E164 HydrophobicContact CB-CB 3.96Å; A133-E164 PolarHBondContact N-O 3.37Å
134Y96.4Very high97.6Very high45 Ų4533.7 Ų33.718%0.17618%0.182CC..SBendtrans60.659.5-177.9-47.9-69.2000112Y131 D136 V137 F138 Q139 H162 E317Y131-Y134 AromaticContact CD1-CD2 3.48Å; Y131-Y134 HydrophobicContact CD1-CD2 3.48Å; Y131-Y134 VanDerWaalsContact CD1-CD2 3.48Å; Y131-Y134 AromaticContact CD1-CE2 3.56Å; Y131-Y134 HydrophobicContact CD1-CE2 3.56Å; Y131-Y134 AromaticContact CE1-CD2 3.96Å; Y131-Y134 HydrophobicContact CE1-CD2 3.96Å; Y131-Y134 AromaticContact CE1-CE2 3.68Å; Y131-Y134 HydrophobicContact CE1-CE2 3.68Å; Y131-Y134 HydrophobicContact CG-CD2 4.22Å; Y134-D136 PolarHBondContact O-N 3.36Å; Y134-V137 PolarHBondContact O-N 2.95Å; Y134-F138 HydrophobicContact CD2-CD2 4.01Å; Y134-F138 HydrophobicContact CG-CD2 4.11Å; Y134-F138 PolarHBondContact O-N 2.95Å; Y134-Q139 PolarHBondContact O-N 3.14Å; Y134-H162 AromaticContact CE2-CD2 3.56Å; Y134-H162 AromaticContact CE2-NE2 3.41Å; Y134-H162 WeakPolarHBondContact CE2-NE2 3.3Å; Y134-H162 AromaticContact CZ-NE2 3.79Å; Y134-E317 VanDerWaalsContact CE1-OE2 3.32Å; Y134-E317 WeakPolarHBondContact CE1-OE2 3.5Å; Y134-E317 PolarHBondContact OH-OE2 3.36Å
135K96.6Very high97.6Very high72 Ų7233.5 Ų33.531%0.31318%0.18SC..THydrogen-bonded Turntrans-49.1137178.3-176.9168.2-179.21620111.5V137 Q139 D167 A170K135-V137 PolarHBondContact O-N 3.32Å; K135-V137 VanDerWaalsContact O-N 3.1Å; K135-Q139 VanDerWaalsContact CA-OE1 3.24Å; K135-Q139 VanDerWaalsContact CB-OE1 3.26Å; K135-D167 WeakPolarHBondContact CD-OD1 3.31Å; K135-D167 VanDerWaalsContact CE-OD1 3.31Å; K135-D167 WeakPolarHBondContact CE-OD1 3.43Å; K135-D167 IonicContact NZ-OD1 2.95Å; K135-D167 PolarHBondContact NZ-OD1 2.99Å; K135-A170 HydrophobicContact CB-CB 4.27Å; K135-A170 HydrophobicContact CD-CB 3.98Å
136D93.6Very high97.6Very high154 Ų15438.9 Ų38.982%0.82420%0.201SC*.THydrogen-bonded Turntrans63.93-177.8-51.1-41.3000115.9Y134Y134-D136 PolarHBondContact O-N 3.36Å
137V92.8Very high97.6Very high82 Ų8243.4 Ų43.450%0.49722%0.222SC..THydrogen-bonded Turntrans-117.4-59.2178.4-173.80000111.6Y134 K135Y134-V137 PolarHBondContact O-N 2.95Å; K135-V137 PolarHBondContact O-N 3.32Å; K135-V137 VanDerWaalsContact O-N 3.1Å
138F95.4Very high97.6Very high40 Ų4043.5 Ų43.518%0.17522%0.223CC..THydrogen-bonded Turntrans-126.7-14.5-177.8-56-46.3000113.5V73 A106 Y131 Y134 L140V73-F138 HydrophobicContact CG1-CZ 4.25Å; A106-F138 HydrophobicContact CB-CD1 3.54Å; A106-F138 HydrophobicContact CB-CE1 4Å; Y131-F138 HydrophobicContact CD2-CB 3.67Å; Y131-F138 HydrophobicContact CD2-CG 4.24Å; Y131-F138 HydrophobicContact CE2-CB 4.36Å; Y131-F138 HydrophobicContact CE2-CG 4.46Å; Y131-F138 HydrophobicContact CG-CB 3.77Å; Y134-F138 HydrophobicContact CD2-CD2 4.01Å; Y134-F138 HydrophobicContact CG-CD2 4.11Å; Y134-F138 PolarHBondContact O-N 2.95Å; F138-L140 PolarHBondContact O-N 3.35Å
139Q97.8Very high97.6Very high42 Ų4243.4 Ų43.420%0.19622%0.222CC..BIsolated β-bridgetrans-59.6123.7-172.6-171.6178.920.400111.8Y131 L132 A133 Y134 K135Y131-Q139 WeakPolarHBondContact O-CA 3.34Å; L132-Q139 WeakPolarHBondContact O-CG 3.41Å; L132-Q139 PolarHBondContact O-NE2 3.41Å; A133-Q139 VanDerWaalsContact O-CA 3.3Å; A133-Q139 WeakPolarHBondContact O-CA 3.29Å; A133-Q139 VanDerWaalsContact O-CB 3.3Å; A133-Q139 WeakPolarHBondContact O-CB 3.27Å; A133-Q139 PolarHBondContact O-N 2.84Å; Y134-Q139 PolarHBondContact O-N 3.14Å; K135-Q139 VanDerWaalsContact CA-OE1 3.24Å; K135-Q139 VanDerWaalsContact CB-OE1 3.26Å
140L97.8Very high97.5Very high4 Ų444.4 Ų44.42%0.02123%0.23CC..PPolyproline II helixtrans-94.8143.7169.4-60-172.2000110.9I105 W108 V130 Y131 F138 Q144 I145 V148I105-L140 HydrophobicContact CG2-CD1 4.27Å; W108-L140 HydrophobicContact CB-CD2 4.26Å; V130-L140 HydrophobicContact CB-CD1 4.03Å; V130-L140 HydrophobicContact CG1-CD1 3.79Å; Y131-L140 PolarHBondContact O-N 2.89Å; F138-L140 PolarHBondContact O-N 3.35Å; L140-Q144 HydrophobicContact CB-CB 4.17Å; L140-I145 HydrophobicContact CB-CD1 4.38Å; L140-I145 HydrophobicContact CB-CG1 3.82Å; L140-V148 HydrophobicContact CD1-CG2 4.1Å
141S98.1Very high97.5Very high53 Ų5345.1 Ų45.137%0.37123%0.234SC..PPolyproline II helixtrans-72.4159.3170.362.70000111.8S143 Q144 I145S141-S143 PolarHBondContact O-N 2.89Å; S141-S143 PolarHBondContact OG-OG 3.24Å; S141-S143 VanDerWaalsContact OG-OG 3.13Å; S141-Q144 PolarHBondContact O-N 2.82Å; S141-Q144 WeakPolarHBondContact OG-CG 3.3Å; S141-Q144 PolarHBondContact OG-N 2.82Å; S141-Q144 PolarHBondContact OG-OE1 3.22Å; S141-I145 WeakPolarHBondContact O-CG1 3.46Å; S141-I145 PolarHBondContact O-N 3.08Å
142D98.6Very high97.5Very high71 Ų7145.1 Ų45.138%0.3823%0.234SC..Hα-helixtrans-55.8-36178.3-72.2-6.3000113.3I145 Y146 R202 I206D142-I145 PolarHBondContact O-N 2.86Å; D142-Y146 WeakPolarHBondContact O-CB 3.37Å; D142-Y146 PolarHBondContact O-N 2.89Å; D142-R202 WeakPolarHBondContact OD1-CD 3.5Å; D142-R202 IonicContact OD1-CZ 3.11Å; D142-R202 IonicContact OD1-NH1 3.53Å; D142-R202 PolarHBondContact OD1-NH1 3.02Å; D142-R202 WeakPolarHBondContact OD2-CD 3.36Å; D142-R202 IonicContact OD2-NH1 3.1Å; D142-I206 HydrophobicContact CB-CD1 4.13Å
143S98.3Very high97.5Very high74 Ų7448.2 Ų48.252%0.51725%0.245SC..Hα-helixtrans-66.2-42.5175.846.30000112.1S141 Y146 E147S141-S143 PolarHBondContact O-N 2.89Å; S141-S143 PolarHBondContact OG-OG 3.24Å; S141-S143 VanDerWaalsContact OG-OG 3.13Å; S143-Y146 PolarHBondContact O-N 2.94Å; S143-E147 WeakPolarHBondContact O-CG 3.36Å; S143-E147 PolarHBondContact O-N 3.48Å; S143-E147 VanDerWaalsContact O-N 3.11Å
144Q98.2Very high97.5Very high56 Ų5653 Ų5326%0.26227%0.271SS..Hα-helixtrans-66.5-42176.1-69.4167-56.500110.7W108 L140 S141 Y146 E147 V148W108-Q144 HydrophobicContact CB-CB 4.12Å; W108-Q144 HydrophobicContact CB-CG 4.11Å; W108-Q144 HydrophobicContact CG-CB 4.21Å; W108-Q144 HydrophobicContact CG-CG 4.32Å; L140-Q144 HydrophobicContact CB-CB 4.17Å; S141-Q144 PolarHBondContact O-N 2.82Å; S141-Q144 WeakPolarHBondContact OG-CG 3.3Å; S141-Q144 PolarHBondContact OG-N 2.82Å; S141-Q144 PolarHBondContact OG-OE1 3.22Å; Q144-Y146 VanDerWaalsContact C-N 3.31Å; Q144-Y146 PolarHBondContact O-N 3.32Å; Q144-E147 PolarHBondContact O-N 2.93Å; Q144-V148 VanDerWaalsContact O-CG2 3.25Å; Q144-V148 WeakPolarHBondContact O-CG2 3.49Å; Q144-V148 PolarHBondContact O-N 3.45Å
145I98.5Very high97.6Very high0 Ų051.7 Ų51.70%027%0.267CS..Hα-helixtrans-60.5-42.4176.2-65.3162.6000110.8L132 L140 S141 D142 E147 V148 F149 I206L132-I145 HydrophobicContact CD1-CD1 3.42Å; L132-I145 VanDerWaalsContact CD1-CD1 3.42Å; L132-I145 HydrophobicContact CD1-CG1 4.34Å; L132-I145 HydrophobicContact CD2-CD1 4.43Å; L132-I145 HydrophobicContact CG-CD1 3.69Å; L140-I145 HydrophobicContact CB-CD1 4.38Å; L140-I145 HydrophobicContact CB-CG1 3.82Å; S141-I145 WeakPolarHBondContact O-CG1 3.46Å; S141-I145 PolarHBondContact O-N 3.08Å; D142-I145 PolarHBondContact O-N 2.86Å; I145-E147 VanDerWaalsContact C-N 3.33Å; I145-E147 PolarHBondContact O-N 3.19Å; I145-V148 PolarHBondContact O-N 3.22Å; I145-F149 HydrophobicContact CG2-CD1 4.07Å; I145-F149 HydrophobicContact CG2-CD2 3.99Å; I145-F149 HydrophobicContact CG2-CE1 3.7Å; I145-F149 HydrophobicContact CG2-CE2 3.61Å; I145-F149 HydrophobicContact CG2-CG 4.21Å; I145-F149 HydrophobicContact CG2-CZ 3.45Å; I145-F149 VanDerWaalsContact CG2-CZ 3.45Å; I145-F149 VanDerWaalsContact O-CB 3.32Å; I145-F149 WeakPolarHBondContact O-CB 3.41Å; I145-F149 WeakPolarHBondContact O-CD1 3.26Å; I145-F149 VanDerWaalsContact O-CG 3.27Å; I145-F149 WeakPolarHBondContact O-CG 3.5Å; I145-F149 PolarHBondContact O-N 2.93Å; I145-I206 HydrophobicContact CB-CD1 4.49Å; I145-I206 HydrophobicContact CG2-CD1 4.18Å; I145-I206 HydrophobicContact CG2-CG2 4.05Å
146Y98.8Very high97.7Very high113 Ų11348.4 Ų48.444%0.44325%0.253SS..Hα-helixtrans-59.4-43.7175.8-176.7-81000112.1D142 S143 Q144 S150 I206 Q209 T210D142-Y146 WeakPolarHBondContact O-CB 3.37Å; D142-Y146 PolarHBondContact O-N 2.89Å; S143-Y146 PolarHBondContact O-N 2.94Å; Q144-Y146 VanDerWaalsContact C-N 3.31Å; Q144-Y146 PolarHBondContact O-N 3.32Å; Y146-S150 WeakPolarHBondContact O-CB 3.24Å; Y146-S150 PolarHBondContact O-N 2.85Å; Y146-S150 VanDerWaalsContact O-N 3.1Å; Y146-S150 PolarHBondContact O-OG 3.02Å; Y146-I206 HydrophobicContact CD2-CG2 4.15Å; Y146-Q209 HydrophobicContact CE2-CB 4.06Å; Y146-T210 HydrophobicContact CD1-CG2 4.19Å; Y146-T210 HydrophobicContact CD2-CG2 3.53Å; Y146-T210 HydrophobicContact CE1-CG2 4.15Å; Y146-T210 HydrophobicContact CE2-CG2 3.5Å; Y146-T210 VanDerWaalsContact CE2-CG2 3.5Å; Y146-T210 HydrophobicContact CG-CG2 3.87Å; Y146-T210 WeakPolarHBondContact O-CG2 3.46Å
147E98.6Very high98Very high101 Ų10141.1 Ų41.147%0.47222%0.215SC..Hα-helixtrans-65.9-49.7176.6-71.4177.1-16700111.7W108 S143 Q144 I145 F149 S150 V151W108-E147 HydrophobicContact CZ2-CB 4Å; W108-E147 PolarHBondContact NE1-OE2 3.37Å; S143-E147 WeakPolarHBondContact O-CG 3.36Å; S143-E147 PolarHBondContact O-N 3.48Å; S143-E147 VanDerWaalsContact O-N 3.11Å; Q144-E147 PolarHBondContact O-N 2.93Å; I145-E147 VanDerWaalsContact C-N 3.33Å; I145-E147 PolarHBondContact O-N 3.19Å; E147-F149 VanDerWaalsContact C-N 3.33Å; E147-F149 PolarHBondContact O-N 3.32Å; E147-S150 WeakPolarHBondContact O-CB 3.22Å; E147-S150 PolarHBondContact O-N 3.22Å; E147-S150 VanDerWaalsContact O-N 3.12Å; E147-V151 PolarHBondContact O-N 3.31Å
148V98.6Very high98.3Very high1 Ų137.4 Ų37.41%0.00619%0.192CC..Hα-helixtrans-55.4-48.4176.6174.80000110.5W108 V130 L140 Q144 I145 S150 V151 V152W108-V148 HydrophobicContact CD2-CG2 3.45Å; W108-V148 VanDerWaalsContact CD2-CG2 3.45Å; W108-V148 HydrophobicContact CE3-CG2 3.31Å; W108-V148 HydrophobicContact CG-CG2 4.04Å; W108-V148 HydrophobicContact CH2-CG2 4.05Å; W108-V148 HydrophobicContact CZ2-CG2 4.2Å; W108-V148 HydrophobicContact CZ3-CB 4.42Å; W108-V148 HydrophobicContact CZ3-CG2 3.63Å; V130-V148 HydrophobicContact CG1-CB 4.36Å; V130-V148 HydrophobicContact CG1-CG1 3.7Å; V130-V148 HydrophobicContact CG1-CG2 4.45Å; L140-V148 HydrophobicContact CD1-CG2 4.1Å; Q144-V148 VanDerWaalsContact O-CG2 3.25Å; Q144-V148 WeakPolarHBondContact O-CG2 3.49Å; Q144-V148 PolarHBondContact O-N 3.45Å; I145-V148 PolarHBondContact O-N 3.22Å; V148-S150 VanDerWaalsContact C-N 3.28Å; V148-S150 PolarHBondContact O-N 2.93Å; V148-V151 PolarHBondContact O-N 3.18Å; V148-V151 VanDerWaalsContact O-N 3.16Å; V148-V152 HydrophobicContact CG1-CG2 4.02Å; V148-V152 WeakPolarHBondContact O-CB 3.38Å; V148-V152 VanDerWaalsContact O-CG2 3.3Å; V148-V152 WeakPolarHBondContact O-CG2 3.43Å; V148-V152 PolarHBondContact O-N 3.09Å
149F98.8Very high98.4Very high0 Ų035.6 Ų35.60%018%0.184CC..Hα-helixtrans-63.7-35.3-179-75.17.2000112.2V130 I145 E147 R153 A159 V161 I206 A207 T210 C212 L214V130-F149 HydrophobicContact CG2-CE1 3.81Å; V130-F149 HydrophobicContact CG2-CZ 4.31Å; I145-F149 HydrophobicContact CG2-CD1 4.07Å; I145-F149 HydrophobicContact CG2-CD2 3.99Å; I145-F149 HydrophobicContact CG2-CE1 3.7Å; I145-F149 HydrophobicContact CG2-CE2 3.61Å; I145-F149 HydrophobicContact CG2-CG 4.21Å; I145-F149 HydrophobicContact CG2-CZ 3.45Å; I145-F149 VanDerWaalsContact CG2-CZ 3.45Å; I145-F149 VanDerWaalsContact O-CB 3.32Å; I145-F149 WeakPolarHBondContact O-CB 3.41Å; I145-F149 WeakPolarHBondContact O-CD1 3.26Å; I145-F149 VanDerWaalsContact O-CG 3.27Å; I145-F149 WeakPolarHBondContact O-CG 3.5Å; I145-F149 PolarHBondContact O-N 2.93Å; E147-F149 VanDerWaalsContact C-N 3.33Å; E147-F149 PolarHBondContact O-N 3.32Å; F149-R153 WeakPolarHBondContact O-CB 3.3Å; F149-R153 PolarHBondContact O-N 3.5Å; F149-A159 HydrophobicContact CD1-CB 3.64Å; F149-A159 HydrophobicContact CE1-CB 3.61Å; F149-A159 HydrophobicContact CG-CB 4.35Å; F149-A159 HydrophobicContact CZ-CB 4.3Å; F149-V161 HydrophobicContact CE1-CG2 4.14Å; F149-V161 HydrophobicContact CZ-CG2 3.63Å; F149-I206 HydrophobicContact CD2-CB 4.38Å; F149-I206 HydrophobicContact CD2-CG2 3.84Å; F149-I206 HydrophobicContact CE2-CB 4.36Å; F149-I206 HydrophobicContact CE2-CG2 4.22Å; F149-A207 HydrophobicContact CD2-CB 3.94Å; F149-A207 HydrophobicContact CE2-CB 3.9Å; F149-T210 HydrophobicContact CB-CG2 4.19Å; F149-C212 HydrophobicContact CB-CB 3.88Å; F149-C212 HydrophobicContact CG-CB 4.47Å; F149-C212 WeakPolarHBondContact O-CB 3.34Å; F149-C212 PolarHBondContact O-SG 2.94Å; F149-L214 HydrophobicContact CE2-CD1 4.08Å; F149-L214 HydrophobicContact CZ-CD1 3.86Å
150S98.3Very high98.5Very high22 Ų2233.6 Ų33.615%0.15418%0.175CC..Hα-helixtrans-63.6-45.2174.1-60.20000111.2Y146 E147 V148 R153 D154 T210Y146-S150 WeakPolarHBondContact O-CB 3.24Å; Y146-S150 PolarHBondContact O-N 2.85Å; Y146-S150 VanDerWaalsContact O-N 3.1Å; Y146-S150 PolarHBondContact O-OG 3.02Å; E147-S150 WeakPolarHBondContact O-CB 3.22Å; E147-S150 PolarHBondContact O-N 3.22Å; E147-S150 VanDerWaalsContact O-N 3.12Å; V148-S150 VanDerWaalsContact C-N 3.28Å; V148-S150 PolarHBondContact O-N 2.93Å; S150-R153 WeakPolarHBondContact O-CB 3.19Å; S150-R153 PolarHBondContact O-N 3.16Å; S150-D154 PolarHBondContact O-N 3.05Å; S150-D154 VanDerWaalsContact O-N 3.14Å; S150-T210 WeakPolarHBondContact OG-CG2 3.49Å
151V98.6Very high98.5Very high16 Ų1633.4 Ų33.410%0.09717%0.174CC..Hα-helixtrans-64.5-47176.5171.40000111.5W108 Q113 M116 E147 V148 R153 D154 L155W108-V151 HydrophobicContact CH2-CB 4.12Å; W108-V151 HydrophobicContact CH2-CG1 4.38Å; W108-V151 HydrophobicContact CH2-CG2 3.85Å; W108-V151 HydrophobicContact CZ2-CG2 4.06Å; Q113-V151 HydrophobicContact CG-CG1 3.95Å; Q113-V151 HydrophobicContact CG-CG2 4.02Å; M116-V151 HydrophobicContact CE-CG1 3.97Å; M116-V151 HydrophobicContact SD-CG1 4.42Å; E147-V151 PolarHBondContact O-N 3.31Å; V148-V151 PolarHBondContact O-N 3.18Å; V148-V151 VanDerWaalsContact O-N 3.16Å; V151-R153 VanDerWaalsContact C-N 3.28Å; V151-R153 PolarHBondContact O-N 3.15Å; V151-D154 PolarHBondContact O-N 3.47Å; V151-D154 VanDerWaalsContact O-N 3.09Å; V151-L155 HydrophobicContact CG1-CD1 3.74Å; V151-L155 HydrophobicContact CG1-CG 4.22Å; V151-L155 WeakPolarHBondContact O-CG 3.32Å; V151-L155 PolarHBondContact O-N 3.27Å
152V98.7Very high98.6Very high0 Ų030.9 Ų30.90%016%0.156CC..Hα-helixtrans-57-42.6178.2168.60000111.4M116 F128 V148 G156 A157 A159 Y443M116-V152 HydrophobicContact CE-CG2 3.58Å; F128-V152 HydrophobicContact CB-CG2 4.34Å; F128-V152 HydrophobicContact CD2-CG2 4.11Å; V148-V152 HydrophobicContact CG1-CG2 4.02Å; V148-V152 WeakPolarHBondContact O-CB 3.38Å; V148-V152 VanDerWaalsContact O-CG2 3.3Å; V148-V152 WeakPolarHBondContact O-CG2 3.43Å; V148-V152 PolarHBondContact O-N 3.09Å; V152-G156 PolarHBondContact O-N 2.94Å; V152-A157 HydrophobicContact CG1-CB 3.92Å; V152-A157 WeakPolarHBondContact CG1-O 3.38Å; V152-A157 PolarHBondContact O-N 3.24Å; V152-A159 HydrophobicContact CG1-CB 3.99Å; V152-Y443 PolarHBondContact O-OH 3.12Å
153R98.1Very high98.5Very high66 Ų6627.6 Ų27.625%0.24914%0.139CC..Hα-helixtrans-59.3-48.4174.7178.1-158.168.3-149.7-6111.6F149 S150 V151 L155 G156 T210 C212 Y443 I446F149-R153 WeakPolarHBondContact O-CB 3.3Å; F149-R153 PolarHBondContact O-N 3.5Å; S150-R153 WeakPolarHBondContact O-CB 3.19Å; S150-R153 PolarHBondContact O-N 3.16Å; V151-R153 VanDerWaalsContact C-N 3.28Å; V151-R153 PolarHBondContact O-N 3.15Å; R153-L155 VanDerWaalsContact C-N 3.31Å; R153-L155 PolarHBondContact O-N 3.29Å; R153-G156 PolarHBondContact O-N 3.41Å; R153-G156 VanDerWaalsContact O-N 3.08Å; R153-T210 VanDerWaalsContact CD-O 3.26Å; R153-T210 WeakPolarHBondContact CD-O 3.43Å; R153-T210 PolarHBondContact NH1-O 2.58Å; R153-C212 HydrophobicContact CB-CB 4.11Å; R153-Y443 WeakPolarHBondContact CA-OH 3.17Å; R153-Y443 WeakPolarHBondContact O-CE1 3.23Å; R153-Y443 PolarHBondContact O-OH 3.05Å; R153-I446 HydrophobicContact CG-CG2 4.44Å
154D97.9Very high98.6Very high100 Ų10024.2 Ų24.254%0.53512%0.115SC..Hα-helixtrans-69.9-31.2-174.8-68.8-15.2000112S150 V151 G156 F438S150-D154 PolarHBondContact O-N 3.05Å; S150-D154 VanDerWaalsContact O-N 3.14Å; V151-D154 PolarHBondContact O-N 3.47Å; V151-D154 VanDerWaalsContact O-N 3.09Å; D154-G156 VanDerWaalsContact C-N 3.25Å; D154-G156 PolarHBondContact O-N 3.1Å; D154-F438 WeakPolarHBondContact O-CZ 3.47Å
155L98.6Very high98.6Very high19 Ų1922.5 Ų22.510%0.09911%0.108CC..THydrogen-bonded Turntrans-76.3-9.6172-65.9178000113.8M116 E117 V120 V151 R153 A157 P437M116-L155 HydrophobicContact CB-CD1 3.9Å; M116-L155 HydrophobicContact CE-CD1 4.46Å; E117-L155 HydrophobicContact CB-CD2 4.14Å; E117-L155 HydrophobicContact CG-CD1 4.45Å; E117-L155 HydrophobicContact CG-CD2 3.91Å; V120-L155 HydrophobicContact CG2-CB 4.19Å; V120-L155 HydrophobicContact CG2-CD1 4.17Å; V151-L155 HydrophobicContact CG1-CD1 3.74Å; V151-L155 HydrophobicContact CG1-CG 4.22Å; V151-L155 WeakPolarHBondContact O-CG 3.32Å; V151-L155 PolarHBondContact O-N 3.27Å; R153-L155 VanDerWaalsContact C-N 3.31Å; R153-L155 PolarHBondContact O-N 3.29Å; L155-A157 VanDerWaalsContact C-N 3.3Å; L155-P437 WeakPolarHBondContact O-CB 3.31Å
156G98.4Very high98.6Very high2 Ų222.5 Ų22.52%0.02111%0.108CC..THydrogen-bonded Turntrans74.220.2-177.400000113.8V152 R153 D154 F438 Y443V152-G156 PolarHBondContact O-N 2.94Å; R153-G156 PolarHBondContact O-N 3.41Å; R153-G156 VanDerWaalsContact O-N 3.08Å; D154-G156 VanDerWaalsContact C-N 3.25Å; D154-G156 PolarHBondContact O-N 3.1Å; G156-F438 VanDerWaalsContact CA-CD1 3.49Å; G156-F438 VanDerWaalsContact CA-CE1 3.4Å; G156-F438 PolarHBondContact O-N 3.12Å; G156-Y443 VanDerWaalsContact C-OH 3.25Å; G156-Y443 WeakPolarHBondContact CA-OH 3.33Å; G156-Y443 WeakPolarHBondContact O-CE2 3.36Å
157A98.8Very high98.6Very high2 Ų220.5 Ų20.52%0.01711%0.105CC..  trans-93.2177.2179.100000111.8N126 F128 V152 L155 Y443N126-A157 CarbonylContact O-C 3.47Å; N126-A157 WeakPolarHBondContact O-CA 3.42Å; N126-A157 WeakPolarHBondContact O-CB 3.41Å; F128-A157 HydrophobicContact CD2-CB 3.87Å; F128-A157 HydrophobicContact CE2-CB 3.82Å; V152-A157 HydrophobicContact CG1-CB 3.92Å; V152-A157 WeakPolarHBondContact CG1-O 3.38Å; V152-A157 PolarHBondContact O-N 3.24Å; L155-A157 VanDerWaalsContact C-N 3.3Å; A157-Y443 PolarHBondContact N-OH 3.29Å; A157-Y443 VanDerWaalsContact O-CE2 3.3Å; A157-Y443 WeakPolarHBondContact O-CE2 3.37Å; A157-Y443 VanDerWaalsContact O-CZ 3.29Å; A157-Y443 PolarHBondContact O-OH 2.9Å
158I98.7Very high98.6Very high4 Ų419.3 Ų19.32%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-109.7136.3172.9-167.1166000110.8N126 S127 F128 P213 Y215 Y239 I355 F356 V442N126-I158 PolarHBondContact O-N 2.79Å; S127-I158 WeakPolarHBondContact CA-O 3.38Å; F128-I158 PolarHBondContact N-O 2.69Å; I158-P213 HydrophobicContact CG1-CB 4.43Å; I158-Y215 HydrophobicContact CD1-CD2 4.06Å; I158-Y215 HydrophobicContact CD1-CG 4.41Å; I158-Y239 HydrophobicContact CD1-CD2 3.92Å; I158-Y239 HydrophobicContact CD1-CE2 4.15Å; I158-I355 HydrophobicContact CD1-CG2 3.66Å; I158-F356 HydrophobicContact CG2-CD1 4.18Å; I158-F356 HydrophobicContact CG2-CE1 3.76Å; I158-V442 HydrophobicContact CD1-CG1 4.5Å; I158-V442 HydrophobicContact CD1-CG2 4.44Å
159A98.9Very high98.6Very high1 Ų119.4 Ų19.41%0.00810%0.102CC..EExtended strand (participates in β ladder)trans-87.2115176.800000109.1F149 V152 P213 L214 Y215F149-A159 HydrophobicContact CD1-CB 3.64Å; F149-A159 HydrophobicContact CE1-CB 3.61Å; F149-A159 HydrophobicContact CG-CB 4.35Å; F149-A159 HydrophobicContact CZ-CB 4.3Å; V152-A159 HydrophobicContact CG1-CB 3.99Å; A159-P213 PolarHBondContact N-O 3.3Å; A159-L214 CarbonylContact O-C 3.6Å; A159-Y215 PolarHBondContact O-N 2.84Å
160Q98.9Very high98.6Very high0 Ų020.9 Ų20.90%011%0.114CC..EExtended strand (participates in β ladder)trans-91.8147.1170.2-72.9173.1-37.400109.9H102 F128 L129 V130 Y215 T217H102-Q160 PolarHBondContact CE1-NE2 3.03Å; H102-Q160 PolarHBondContact ND1-NE2 3.35Å; H102-Q160 PolarHBondContact ND1-OE1 2.91Å; H102-Q160 PolarHBondContact NE2-NE2 3.25Å; F128-Q160 PolarHBondContact O-N 2.52Å; L129-Q160 CarbonylContact C-O 3.58Å; L129-Q160 WeakPolarHBondContact CA-O 3.22Å; L129-Q160 HydrophobicContact CB-CB 3.83Å; L129-Q160 HydrophobicContact CD1-CB 4.17Å; L129-Q160 HydrophobicContact CG-CB 4.09Å; V130-Q160 PolarHBondContact N-O 3.35Å; Q160-Y215 CarbonylContact C-O 3.54Å; Q160-Y215 VanDerWaalsContact CA-O 3.23Å; Q160-Y215 WeakPolarHBondContact CA-O 3.33Å; Q160-Y215 HydrophobicContact CG-CD1 3.78Å; Q160-Y215 HydrophobicContact CG-CG 4.06Å; Q160-T217 HydrophobicContact CB-CG2 3.97Å; Q160-T217 HydrophobicContact CG-CG2 4.18Å
161V98.8Very high98.6Very high0 Ų025.2 Ų25.20%013%0.132CC..EExtended strand (participates in β ladder)trans-135.4130.4178.6-173.60000110.8V130 L132 F149 A163 L214 Y215 I216 T217V130-V161 HydrophobicContact CG2-CB 4.47Å; V130-V161 HydrophobicContact CG2-CG1 4.35Å; V130-V161 HydrophobicContact CG2-CG2 3.83Å; V130-V161 WeakPolarHBondContact O-CA 3.35Å; L132-V161 HydrophobicContact CD1-CG1 3.46Å; L132-V161 VanDerWaalsContact CD1-CG1 3.46Å; F149-V161 HydrophobicContact CE1-CG2 4.14Å; F149-V161 HydrophobicContact CZ-CG2 3.63Å; V161-A163 HydrophobicContact CG1-CB 3.92Å; V161-L214 HydrophobicContact CB-CD1 4.47Å; V161-L214 HydrophobicContact CG2-CD1 3.46Å; V161-L214 VanDerWaalsContact CG2-CD1 3.46Å; V161-Y215 PolarHBondContact N-O 2.95Å; V161-I216 HydrophobicContact CB-CD1 4.37Å; V161-T217 PolarHBondContact O-N 2.96Å; V161-T217 VanDerWaalsContact O-N 3.09Å; V161-T217 PolarHBondContact O-OG1 3.3Å
162H98.7Very high98.6Very high0 Ų026.8 Ų26.80%014%0.138CC..EExtended strand (participates in β ladder)trans-87.3105156.5173.676.4000108.7L129 V130 Y131 L132 A133 Y134 E164 K218 S268L129-H162 HydrophobicContact CD2-CB 4.29Å; V130-H162 PolarHBondContact O-N 2.89Å; Y131-H162 HydrophobicContact CD1-CB 3.62Å; Y131-H162 AromaticContact CD1-CD2 3.7Å; Y131-H162 AromaticContact CD1-CG 3.83Å; Y131-H162 HydrophobicContact CE1-CB 3.92Å; Y131-H162 HydrophobicContact CG-CB 4.49Å; L132-H162 PolarHBondContact N-O 3.24Å; L132-H162 VanDerWaalsContact N-O 3.1Å; A133-H162 WeakPolarHBondContact CB-NE2 3.47Å; Y134-H162 AromaticContact CE2-CD2 3.56Å; Y134-H162 AromaticContact CE2-NE2 3.41Å; Y134-H162 WeakPolarHBondContact CE2-NE2 3.3Å; Y134-H162 AromaticContact CZ-NE2 3.79Å; H162-E164 IonicContact CE1-OE2 3.02Å; H162-E164 PolarHBondContact CE1-OE2 3.29Å; H162-E164 IonicContact NE2-OE2 3.32Å; H162-E164 PolarHBondContact NE2-OE2 2.58Å; H162-K218 PolarHBondContact ND1-NZ 2.61Å; H162-S268 PolarHBondContact CE1-O 3.21Å
163A98.4Very high98.6Very high3 Ų328.4 Ų28.43%0.02515%0.146CC..  trans-107.483.4-162.500000112.1V161 E196 A199 V200V161-A163 HydrophobicContact CG1-CB 3.92Å; A163-E196 WeakPolarHBondContact O-CA 3.48Å; A163-E196 WeakPolarHBondContact O-CG 3.47Å; A163-A199 HydrophobicContact CB-CB 4.04Å; A163-V200 HydrophobicContact CB-CG2 3.59Å
164E98.8Very high98.6Very high2 Ų230.8 Ų30.81%0.00916%0.158CC..SBendtrans-130.2148.9163.3-65.9174.379.700108.5L132 A133 H162 G166 V169 R191 V195 A199 S268 P269L132-E164 CarbonylContact C-O 3.4Å; L132-E164 WeakPolarHBondContact CB-O 3.4Å; A133-E164 HydrophobicContact CB-CB 3.96Å; A133-E164 PolarHBondContact N-O 3.37Å; H162-E164 IonicContact CE1-OE2 3.02Å; H162-E164 PolarHBondContact CE1-OE2 3.29Å; H162-E164 IonicContact NE2-OE2 3.32Å; H162-E164 PolarHBondContact NE2-OE2 2.58Å; E164-G166 PolarHBondContact O-N 3.02Å; E164-V169 HydrophobicContact CB-CG2 4.33Å; E164-R191 WeakPolarHBondContact OE1-CD 3.39Å; E164-R191 IonicContact OE1-NE 2.67Å; E164-V195 HydrophobicContact CB-CG1 4.06Å; E164-A199 VanDerWaalsContact C-CB 3.46Å; E164-S268 WeakPolarHBondContact OE2-CB 3.22Å; E164-P269 HydrophobicContact CG-CB 4.03Å; E164-P269 HydrophobicContact CG-CG 3.83Å; E164-P269 VanDerWaalsContact OE2-CA 3.26Å; E164-P269 WeakPolarHBondContact OE2-CA 3.49Å
165N98.8Very high98.7Very high20 Ų2031 Ų3111%0.10715%0.151CC..  trans-74.196.8175-171.6-50.2000111D167 I168 V169 V195 E198 R202N165-D167 VanDerWaalsContact C-N 3.26Å; N165-D167 PolarHBondContact O-N 2.86Å; N165-D167 PolarHBondContact OD1-N 3.01Å; N165-I168 HydrophobicContact CB-CB 4.3Å; N165-I168 HydrophobicContact CB-CD1 4.1Å; N165-I168 HydrophobicContact CB-CG1 4.33Å; N165-I168 PolarHBondContact O-N 3.37Å; N165-I168 PolarHBondContact OD1-N 2.6Å; N165-V169 WeakPolarHBondContact O-CG2 3.5Å; N165-V169 PolarHBondContact O-N 3.3Å; N165-V195 HydrophobicContact CB-CG1 3.9Å; N165-V195 VanDerWaalsContact N-CG1 3.3Å; N165-V195 PolarHBondContact N-O 2.49Å; N165-V195 VanDerWaalsContact N-O 3.16Å; N165-E198 WeakPolarHBondContact CB-OE2 3.25Å; N165-E198 PolarHBondContact ND2-OE2 2.8Å; N165-R202 PolarHBondContact ND2-NH2 2.84Å
166G98.6Very high98.7Very high1 Ų130.4 Ų30.41%0.0115%0.148CC..Hα-helixtrans-58.3-30.2-17500000115.9L132 E164 A170L132-G166 WeakPolarHBondContact O-CA 3.5Å; L132-G166 PolarHBondContact O-N 3.44Å; E164-G166 PolarHBondContact O-N 3.02Å; G166-A170 WeakPolarHBondContact O-CB 3.3Å; G166-A170 PolarHBondContact O-N 3.16Å
167D98.7Very high98.7Very high71 Ų7133 Ų3338%0.3816%0.161SC..Hα-helixtrans-69.6-46.8176.9-70-62.2000111.3K135 N165 A170 E171K135-D167 WeakPolarHBondContact CD-OD1 3.31Å; K135-D167 VanDerWaalsContact CE-OD1 3.31Å; K135-D167 WeakPolarHBondContact CE-OD1 3.43Å; K135-D167 IonicContact NZ-OD1 2.95Å; K135-D167 PolarHBondContact NZ-OD1 2.99Å; N165-D167 VanDerWaalsContact C-N 3.26Å; N165-D167 PolarHBondContact O-N 2.86Å; N165-D167 PolarHBondContact OD1-N 3.01Å; D167-A170 PolarHBondContact O-N 3.43Å; D167-E171 PolarHBondContact O-N 2.72Å; D167-E171 VanDerWaalsContact O-N 3.15Å
168I98.7Very high98.7Very high75 Ų7539.6 Ų39.639%0.38519%0.191SC..Hα-helixtrans-64.6-43.9177.5-63.6174.4000110.1N165 A170 E171 E172 V195N165-I168 HydrophobicContact CB-CB 4.3Å; N165-I168 HydrophobicContact CB-CD1 4.1Å; N165-I168 HydrophobicContact CB-CG1 4.33Å; N165-I168 PolarHBondContact O-N 3.37Å; N165-I168 PolarHBondContact OD1-N 2.6Å; I168-A170 VanDerWaalsContact C-N 3.32Å; I168-A170 PolarHBondContact O-N 3.34Å; I168-E171 PolarHBondContact O-N 3.39Å; I168-E172 HydrophobicContact CG2-CG 4.09Å; I168-E172 WeakPolarHBondContact O-CB 3.31Å; I168-E172 WeakPolarHBondContact O-CG 3.46Å; I168-E172 PolarHBondContact O-N 3.47Å; I168-V195 HydrophobicContact CB-CG2 4.34Å; I168-V195 HydrophobicContact CG2-CG2 3.7Å
169V98.8Very high98.7Very high4 Ų444.5 Ų44.52%0.02422%0.217CC..Hα-helixtrans-53.9-48.9175.6168.10000111.3E164 N165 E172 Q173 R191 V195E164-V169 HydrophobicContact CB-CG2 4.33Å; N165-V169 WeakPolarHBondContact O-CG2 3.5Å; N165-V169 PolarHBondContact O-N 3.3Å; V169-E172 PolarHBondContact O-N 2.92Å; V169-Q173 HydrophobicContact CG1-CG 4.31Å; V169-Q173 WeakPolarHBondContact O-CB 3.3Å; V169-Q173 VanDerWaalsContact O-CG 3.23Å; V169-Q173 WeakPolarHBondContact O-CG 3.47Å; V169-Q173 PolarHBondContact O-N 3.03Å; V169-R191 HydrophobicContact CB-CG 4.33Å; V169-R191 HydrophobicContact CG1-CG 3.87Å; V169-R191 HydrophobicContact CG2-CG 3.76Å; V169-V195 HydrophobicContact CG2-CG1 3.67Å
170A98.7Very high98.7Very high30 Ų3047.6 Ų47.625%0.24825%0.249CC..Hα-helixtrans-64.2-43.4-177.400000112.4K135 G166 D167 I168 K174K135-A170 HydrophobicContact CB-CB 4.27Å; K135-A170 HydrophobicContact CD-CB 3.98Å; G166-A170 WeakPolarHBondContact O-CB 3.3Å; G166-A170 PolarHBondContact O-N 3.16Å; D167-A170 PolarHBondContact O-N 3.43Å; I168-A170 VanDerWaalsContact C-N 3.32Å; I168-A170 PolarHBondContact O-N 3.34Å; A170-K174 PolarHBondContact O-N 3.44Å
171E98.6Very high98.7Very high114 Ų11449.9 Ų49.953%0.53326%0.261SS..Hα-helixtrans-65.7-42.2177.3-69.1-59.314500111.9D167 I168 K174 R175D167-E171 PolarHBondContact O-N 2.72Å; D167-E171 VanDerWaalsContact O-N 3.15Å; I168-E171 PolarHBondContact O-N 3.39Å; E171-K174 PolarHBondContact O-N 2.96Å; E171-R175 WeakPolarHBondContact O-CB 3.49Å; E171-R175 PolarHBondContact O-N 2.81Å
172E98.6Very high98.6Very high48 Ų4851.3 Ų51.322%0.22427%0.272CS..Hα-helixtrans-70.5-36.9179.5-75.5-62.2119.500112.2I168 V169 K174 R175 I176 S190I168-E172 HydrophobicContact CG2-CG 4.09Å; I168-E172 WeakPolarHBondContact O-CB 3.31Å; I168-E172 WeakPolarHBondContact O-CG 3.46Å; I168-E172 PolarHBondContact O-N 3.47Å; V169-E172 PolarHBondContact O-N 2.92Å; E172-K174 VanDerWaalsContact C-N 3.32Å; E172-K174 PolarHBondContact O-N 3.09Å; E172-R175 VanDerWaalsContact CD-NE 3.29Å; E172-R175 PolarHBondContact O-N 3.14Å; E172-R175 IonicContact OE1-CZ 3.74Å; E172-R175 IonicContact OE1-NE 2.76Å; E172-R175 PolarHBondContact OE1-NE 3.5Å; E172-R175 IonicContact OE2-CZ 3.69Å; E172-R175 IonicContact OE2-NE 3.69Å; E172-R175 PolarHBondContact OE2-NE 3.25Å; E172-R175 IonicContact OE2-NH2 2.89Å; E172-R175 PolarHBondContact OE2-NH2 2.96Å; E172-I176 WeakPolarHBondContact O-CB 3.3Å; E172-I176 WeakPolarHBondContact O-CG1 3.32Å; E172-I176 PolarHBondContact O-N 3.32Å; E172-S190 VanDerWaalsContact CB-O 3.26Å; E172-S190 WeakPolarHBondContact CB-O 3.42Å
173Q98.7Very high98.6Very high35 Ų3552 Ų5216%0.16428%0.279CS..Hα-helixtrans-57.7-46.4172.5-79.2-179.6-18.300111.5V169 L177 S190 R191 F312 T313V169-Q173 HydrophobicContact CG1-CG 4.31Å; V169-Q173 WeakPolarHBondContact O-CB 3.3Å; V169-Q173 VanDerWaalsContact O-CG 3.23Å; V169-Q173 WeakPolarHBondContact O-CG 3.47Å; V169-Q173 PolarHBondContact O-N 3.03Å; Q173-L177 VanDerWaalsContact O-CG 3.32Å; Q173-L177 WeakPolarHBondContact O-CG 3.14Å; Q173-L177 PolarHBondContact O-N 2.76Å; Q173-L177 VanDerWaalsContact O-N 3.11Å; Q173-S190 WeakPolarHBondContact CG-OG 3.4Å; Q173-R191 VanDerWaalsContact NE2-CZ 3.32Å; Q173-F312 HydrophobicContact CB-CZ 4.41Å; Q173-F312 HydrophobicContact CG-CE2 4Å; Q173-F312 HydrophobicContact CG-CZ 4.21Å; Q173-T313 HydrophobicContact CB-CG2 3.99Å; Q173-T313 HydrophobicContact CG-CG2 3.97Å
174K98.6Very high98.7Very high116 Ų11652 Ų5250%0.50428%0.279SS..Hα-helixtrans-60.8-49.6175.2178.9-176.7170.6-170.30111.3A170 E171 E172 I176 L177 E178A170-K174 PolarHBondContact O-N 3.44Å; E171-K174 PolarHBondContact O-N 2.96Å; E172-K174 VanDerWaalsContact C-N 3.32Å; E172-K174 PolarHBondContact O-N 3.09Å; K174-I176 PolarHBondContact O-N 2.9Å; K174-L177 PolarHBondContact O-N 2.93Å; K174-E178 WeakPolarHBondContact CE-OE1 3.35Å; K174-E178 WeakPolarHBondContact O-CG 3.48Å; K174-E178 PolarHBondContact O-N 3.38Å
175R98.7Very high98.7Very high104 Ų10454.4 Ų54.439%0.39229%0.29SS..Hα-helixtrans-59.2-44.6-179.7-170.1-173.770.373.91.5112.3E171 E172 E178 L179E171-R175 WeakPolarHBondContact O-CB 3.49Å; E171-R175 PolarHBondContact O-N 2.81Å; E172-R175 VanDerWaalsContact CD-NE 3.29Å; E172-R175 PolarHBondContact O-N 3.14Å; E172-R175 IonicContact OE1-CZ 3.74Å; E172-R175 IonicContact OE1-NE 2.76Å; E172-R175 PolarHBondContact OE1-NE 3.5Å; E172-R175 IonicContact OE2-CZ 3.69Å; E172-R175 IonicContact OE2-NE 3.69Å; E172-R175 PolarHBondContact OE2-NE 3.25Å; E172-R175 IonicContact OE2-NH2 2.89Å; E172-R175 PolarHBondContact OE2-NH2 2.96Å; R175-E178 PolarHBondContact O-N 3.45Å; R175-L179 VanDerWaalsContact NH1-CD1 3.3Å; R175-L179 WeakPolarHBondContact O-CG 3.4Å; R175-L179 PolarHBondContact O-N 2.89Å; R175-L179 VanDerWaalsContact O-N 3.1Å
176I98.8Very high98.6Very high6 Ų653.4 Ų53.43%0.03129%0.285CS..Hα-helixtrans-65.4-40.8-179.7-69.2-64.7000111E172 K174 L179 I181 L189 F312E172-I176 WeakPolarHBondContact O-CB 3.3Å; E172-I176 WeakPolarHBondContact O-CG1 3.32Å; E172-I176 PolarHBondContact O-N 3.32Å; K174-I176 PolarHBondContact O-N 2.9Å; I176-L179 WeakPolarHBondContact O-CB 3.06Å; I176-L179 PolarHBondContact O-N 2.79Å; I176-I181 HydrophobicContact CG2-CB 3.74Å; I176-I181 HydrophobicContact CG2-CG2 3.9Å; I176-I181 PolarHBondContact O-N 3.47Å; I176-L189 HydrophobicContact CD1-CB 3.9Å; I176-L189 HydrophobicContact CG1-CB 4.39Å; I176-F312 HydrophobicContact CB-CE1 4.35Å; I176-F312 HydrophobicContact CB-CZ 4.32Å; I176-F312 HydrophobicContact CG2-CE1 3.65Å; I176-F312 HydrophobicContact CG2-CZ 3.96Å
177L98.7Very high98.7Very high58 Ų5853.4 Ų53.430%0.30429%0.285SS..Hα-helixtrans-65.8-40.2173.6-70.6171.1000112.4Q173 K174 L179 G180 A182 N311 F312 T313Q173-L177 VanDerWaalsContact O-CG 3.32Å; Q173-L177 WeakPolarHBondContact O-CG 3.14Å; Q173-L177 PolarHBondContact O-N 2.76Å; Q173-L177 VanDerWaalsContact O-N 3.11Å; K174-L177 PolarHBondContact O-N 2.93Å; L177-L179 PolarHBondContact O-N 3.38Å; L177-G180 WeakPolarHBondContact O-CA 3.42Å; L177-G180 PolarHBondContact O-N 3.1Å; L177-A182 HydrophobicContact CD2-CB 4.39Å; L177-N311 WeakPolarHBondContact CD2-OD1 3.49Å; L177-F312 HydrophobicContact CD2-CD1 3.92Å; L177-F312 HydrophobicContact CD2-CE1 3.69Å; L177-F312 HydrophobicContact CG-CE1 3.82Å; L177-F312 HydrophobicContact CG-CZ 4.41Å; L177-T313 HydrophobicContact CD1-CG2 4.01Å
178E98.6Very high98.6Very high139 Ų13950.4 Ų50.465%0.6527%0.269SS*.Hα-helixtrans-62.4-27.1175.2-75.2174.3177.700112.8K174 R175 G180K174-E178 WeakPolarHBondContact CE-OE1 3.35Å; K174-E178 WeakPolarHBondContact O-CG 3.48Å; K174-E178 PolarHBondContact O-N 3.38Å; R175-E178 PolarHBondContact O-N 3.45Å; E178-G180 PolarHBondContact O-N 3.02Å
179L98.6Very high98.6Very high108 Ų10850.1 Ų50.157%0.56527%0.268SS*.THydrogen-bonded Turntrans-78-0.2171.6-68175.2000113.7R175 I176 L177 I181R175-L179 VanDerWaalsContact NH1-CD1 3.3Å; R175-L179 WeakPolarHBondContact O-CG 3.4Å; R175-L179 PolarHBondContact O-N 2.89Å; R175-L179 VanDerWaalsContact O-N 3.1Å; I176-L179 WeakPolarHBondContact O-CB 3.06Å; I176-L179 PolarHBondContact O-N 2.79Å; L177-L179 PolarHBondContact O-N 3.38Å; L179-I181 VanDerWaalsContact C-N 3.32Å; L179-I181 HydrophobicContact CB-CD1 4.38Å; L179-I181 HydrophobicContact CB-CG1 4.38Å
180G98.4Very high98.6Very high65 Ų6549.9 Ų49.967%0.6727%0.267SS*.THydrogen-bonded Turntrans78.612.9-178.400000114.3L177 E178 A182L177-G180 WeakPolarHBondContact O-CA 3.42Å; L177-G180 PolarHBondContact O-N 3.1Å; E178-G180 PolarHBondContact O-N 3.02Å; G180-A182 PolarHBondContact O-N 3.44Å
181I98.8Very high98.6Very high48 Ų4848.9 Ų48.925%0.24626%0.256CS..  trans-90.996.6177.5-55.7171.9000108I176 L179 E185 L189I176-I181 HydrophobicContact CG2-CB 3.74Å; I176-I181 HydrophobicContact CG2-CG2 3.9Å; I176-I181 PolarHBondContact O-N 3.47Å; L179-I181 VanDerWaalsContact C-N 3.32Å; L179-I181 HydrophobicContact CB-CD1 4.38Å; L179-I181 HydrophobicContact CB-CG1 4.38Å; I181-E185 HydrophobicContact CG2-CG 4.02Å; I181-L189 HydrophobicContact CD1-CD1 4.39Å; I181-L189 HydrophobicContact CG2-CD1 4.47Å
182A98.4Very high98.5Very high30 Ų3045.9 Ų45.925%0.24825%0.247CC..  trans-109.1-7.4-176.500000114.2L177 G180 D310 F312L177-A182 HydrophobicContact CD2-CB 4.39Å; G180-A182 PolarHBondContact O-N 3.44Å; A182-D310 WeakPolarHBondContact CB-O 3.43Å; A182-F312 PolarHBondContact O-N 2.9Å
183G98.6Very high98.5Very high14 Ų1446.5 Ų46.514%0.14425%0.25CC..SBendtrans-77.8172.1179.100000113.5E185 G186 F312G183-E185 WeakPolarHBondContact CA-OE2 3.33Å; G183-E185 PolarHBondContact O-N 2.95Å; G183-E185 VanDerWaalsContact O-N 3.12Å; G183-G186 PolarHBondContact O-N 3.21Å; G183-F312 VanDerWaalsContact O-CB 3.32Å; G183-F312 WeakPolarHBondContact O-CB 3.4Å
184P98.8Very high98.4Very high3 Ų350.8 Ų50.82%0.01927%0.27CS..THydrogen-bonded Turntrans-56.4-26.8-178-26.937.3000114.7G186 H187 A262 A263 V266 I315P184-G186 PolarHBondContact O-N 3.35Å; P184-H187 WeakPolarHBondContact O-CB 3.4Å; P184-H187 PolarHBondContact O-N 3.14Å; P184-A262 HydrophobicContact CB-CB 3.88Å; P184-A262 HydrophobicContact CG-CB 3.8Å; P184-A263 HydrophobicContact CG-CB 4.07Å; P184-V266 HydrophobicContact CB-CG2 3.96Å; P184-I315 HydrophobicContact CB-CD1 4.37Å; P184-I315 HydrophobicContact CG-CD1 3.99Å
185E98.8Very high98.4Very high53 Ų5345.5 Ų45.525%0.24825%0.247CC..Hα-helixtrans-60.2-28.1171.972.6-72.5176.900113I181 G183 H187 V188 L189 W255I181-E185 HydrophobicContact CG2-CG 4.02Å; G183-E185 WeakPolarHBondContact CA-OE2 3.33Å; G183-E185 PolarHBondContact O-N 2.95Å; G183-E185 VanDerWaalsContact O-N 3.12Å; E185-H187 PolarHBondContact O-N 3.41Å; E185-V188 VanDerWaalsContact O-CG1 3.25Å; E185-V188 WeakPolarHBondContact O-CG1 3.5Å; E185-L189 HydrophobicContact CG-CD1 4.49Å; E185-L189 WeakPolarHBondContact O-CB 3.43Å; E185-L189 WeakPolarHBondContact O-CD1 3.37Å; E185-L189 WeakPolarHBondContact O-CG 3.4Å; E185-L189 PolarHBondContact O-N 2.96Å; E185-L189 VanDerWaalsContact O-N 3.11Å; E185-W255 HydrophobicContact CB-CD2 4.23Å; E185-W255 HydrophobicContact CB-CG 4.48Å; E185-W255 HydrophobicContact CB-CZ2 4.26Å
186G98.7Very high98.5Very high0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-61.4-31173.400000112.8G183 P184 L189 S190 F312G183-G186 PolarHBondContact O-N 3.21Å; P184-G186 PolarHBondContact O-N 3.35Å; G186-L189 PolarHBondContact O-N 3.15Å; G186-S190 VanDerWaalsContact O-CB 3.31Å; G186-S190 WeakPolarHBondContact O-CB 3.26Å; G186-S190 PolarHBondContact O-N 3.36Å; G186-S190 PolarHBondContact O-OG 3.02Å; G186-F312 WeakPolarHBondContact O-CE2 3.29Å; G186-F312 WeakPolarHBondContact O-CZ 3.33Å
187H98.7Very high98.5Very high0 Ų041.3 Ų41.30%023%0.234CC..Hα-helixtrans-62.4-53.6179.4-176.486.2000111.9P184 E185 S190 R191 T267 S268 F312 E317P184-H187 WeakPolarHBondContact O-CB 3.4Å; P184-H187 PolarHBondContact O-N 3.14Å; E185-H187 PolarHBondContact O-N 3.41Å; H187-S190 PolarHBondContact O-N 3.24Å; H187-S190 PolarHBondContact O-OG 3.2Å; H187-R191 PolarHBondContact CE1-NH1 3.32Å; H187-R191 PolarHBondContact ND1-NH1 3.28Å; H187-T267 PolarHBondContact NE2-O 3.2Å; H187-S268 PolarHBondContact CE1-OG 3Å; H187-S268 VanDerWaalsContact CE1-OG 3.25Å; H187-S268 PolarHBondContact NE2-OG 2.96Å; H187-F312 HydrophobicContact CB-CD2 3.73Å; H187-F312 HydrophobicContact CB-CE2 4.33Å; H187-F312 HydrophobicContact CB-CG 4.42Å; H187-F312 VanDerWaalsContact N-CD2 3.33Å; H187-E317 IonicContact CE1-OE1 3.84Å
188V98.1Very high98.5Very high8 Ų841.6 Ų41.65%0.04823%0.234CC..Hα-helixtrans-68.4-35.5178.261.20000112E185 S190 R191 Y254 W255 P270 P273E185-V188 VanDerWaalsContact O-CG1 3.25Å; E185-V188 WeakPolarHBondContact O-CG1 3.5Å; V188-S190 VanDerWaalsContact C-N 3.28Å; V188-S190 PolarHBondContact O-N 3.36Å; V188-R191 CarbonylContact O-C 3.45Å; V188-R191 PolarHBondContact O-N 3.06Å; V188-Y254 HydrophobicContact CB-CD2 3.68Å; V188-Y254 HydrophobicContact CB-CE2 3.84Å; V188-Y254 HydrophobicContact CB-CG 4.36Å; V188-Y254 HydrophobicContact CG1-CD2 3.57Å; V188-Y254 HydrophobicContact CG1-CE2 4.26Å; V188-Y254 HydrophobicContact CG1-CG 3.94Å; V188-Y254 HydrophobicContact CG2-CD2 4.15Å; V188-Y254 HydrophobicContact CG2-CE2 4.17Å; V188-W255 HydrophobicContact CG1-CH2 3.54Å; V188-W255 HydrophobicContact CG1-CZ2 4.42Å; V188-W255 HydrophobicContact CG1-CZ3 3.76Å; V188-P270 HydrophobicContact CB-CB 3.95Å; V188-P270 HydrophobicContact CB-CG 4.36Å; V188-P270 HydrophobicContact CG2-CB 3.95Å; V188-P270 HydrophobicContact CG2-CG 4.08Å; V188-P273 HydrophobicContact CG2-CG 4.48Å
189L98.6Very high98.5Very high69 Ų6935 Ų3536%0.36120%0.203SC..Hα-helixtrans-67-28.9176.5-70.6171.8000113I176 I181 E185 G186 R191 W255I176-L189 HydrophobicContact CD1-CB 3.9Å; I176-L189 HydrophobicContact CG1-CB 4.39Å; I181-L189 HydrophobicContact CD1-CD1 4.39Å; I181-L189 HydrophobicContact CG2-CD1 4.47Å; E185-L189 HydrophobicContact CG-CD1 4.49Å; E185-L189 WeakPolarHBondContact O-CB 3.43Å; E185-L189 WeakPolarHBondContact O-CD1 3.37Å; E185-L189 WeakPolarHBondContact O-CG 3.4Å; E185-L189 PolarHBondContact O-N 2.96Å; E185-L189 VanDerWaalsContact O-N 3.11Å; G186-L189 PolarHBondContact O-N 3.15Å; L189-R191 VanDerWaalsContact C-N 3.28Å; L189-W255 HydrophobicContact CD1-CZ2 4.48Å; L189-W255 HydrophobicContact CD2-CZ2 4.18Å; L189-W255 HydrophobicContact CG-CZ2 4.25Å
190S98.5Very high98.5Very high0 Ų029.9 Ų29.90%018%0.176CC..THydrogen-bonded Turntrans-79.9-817869.50000114.3E172 Q173 G186 H187 V188E172-S190 VanDerWaalsContact CB-O 3.26Å; E172-S190 WeakPolarHBondContact CB-O 3.42Å; Q173-S190 WeakPolarHBondContact CG-OG 3.4Å; G186-S190 VanDerWaalsContact O-CB 3.31Å; G186-S190 WeakPolarHBondContact O-CB 3.26Å; G186-S190 PolarHBondContact O-N 3.36Å; G186-S190 PolarHBondContact O-OG 3.02Å; H187-S190 PolarHBondContact O-N 3.24Å; H187-S190 PolarHBondContact O-OG 3.2Å; V188-S190 VanDerWaalsContact C-N 3.28Å; V188-S190 PolarHBondContact O-N 3.36Å
191R98.1Very high98.5Very high9 Ų930.8 Ų30.83%0.03417%0.166CC..SBendtrans-143.358.8-170.6-61.3175.6152.5141.3-12.9110.7E164 V169 Q173 H187 V188 L189 S268 P270 E317E164-R191 WeakPolarHBondContact OE1-CD 3.39Å; E164-R191 IonicContact OE1-NE 2.67Å; V169-R191 HydrophobicContact CB-CG 4.33Å; V169-R191 HydrophobicContact CG1-CG 3.87Å; V169-R191 HydrophobicContact CG2-CG 3.76Å; Q173-R191 VanDerWaalsContact NE2-CZ 3.32Å; H187-R191 PolarHBondContact CE1-NH1 3.32Å; H187-R191 PolarHBondContact ND1-NH1 3.28Å; V188-R191 CarbonylContact O-C 3.45Å; V188-R191 PolarHBondContact O-N 3.06Å; L189-R191 VanDerWaalsContact C-N 3.28Å; R191-S268 PolarHBondContact NH1-OG 3.31Å; R191-P270 HydrophobicContact CB-CG 4.03Å; R191-P270 WeakPolarHBondContact O-CG 3.35Å; R191-E317 IonicContact CZ-OE1 2.69Å; R191-E317 IonicContact NH1-OE1 3.17Å; R191-E317 PolarHBondContact NH1-OE1 3.48Å; R191-E317 IonicContact NH2-OE1 3.91Å; R191-E317 PolarHBondContact NH2-OE1 2.88Å
192P96.8Very high98.5Very high51 Ų5130.3 Ų30.333%0.33116%0.161SC..  trans-64.9158.7-178.933.2-38.6000110.9E194 V195P192-E194 WeakPolarHBondContact CB-OE2 3.35Å; P192-E194 PolarHBondContact O-N 3.35Å; P192-V195 HydrophobicContact CG-CG2 4.09Å; P192-V195 VanDerWaalsContact O-CB 3.25Å; P192-V195 WeakPolarHBondContact O-CB 3.36Å; P192-V195 PolarHBondContact O-N 2.84Å
193E97.9Very high98.5Very high61 Ų6128.9 Ų28.929%0.28515%0.149SC..Hα-helixtrans-59.6-24.5-168.158.6169.8-107.600115V195 E196 A197 S221 S223E193-V195 PolarHBondContact O-N 3.11Å; E193-E196 WeakPolarHBondContact O-CB 3.12Å; E193-E196 PolarHBondContact O-N 2.99Å; E193-E196 VanDerWaalsContact O-N 3.09Å; E193-A197 PolarHBondContact O-N 2.8Å; E193-S221 VanDerWaalsContact CB-CB 3.48Å; E193-S223 WeakPolarHBondContact OE1-CB 3.4Å; E193-S223 PolarHBondContact OE1-OG 3.14Å
194E98.4Very high98.6Very high124 Ų12428.7 Ų28.758%0.57915%0.145SC*.Hα-helixtrans-61.6-28.7175.7-60.685.617000112.3P192 A197 E198P192-E194 WeakPolarHBondContact CB-OE2 3.35Å; P192-E194 PolarHBondContact O-N 3.35Å; E194-A197 PolarHBondContact O-N 3.27Å; E194-E198 WeakPolarHBondContact O-CB 3.47Å; E194-E198 PolarHBondContact O-N 3.35Å
195V98.5Very high98.6Very high6 Ų631.8 Ų31.84%0.03616%0.164CC..Hα-helixtrans-68.4-36.8176.31730000111.2E164 N165 I168 V169 P192 E193E164-V195 HydrophobicContact CB-CG1 4.06Å; N165-V195 HydrophobicContact CB-CG1 3.9Å; N165-V195 VanDerWaalsContact N-CG1 3.3Å; N165-V195 PolarHBondContact N-O 2.49Å; N165-V195 VanDerWaalsContact N-O 3.16Å; I168-V195 HydrophobicContact CB-CG2 4.34Å; I168-V195 HydrophobicContact CG2-CG2 3.7Å; V169-V195 HydrophobicContact CG2-CG1 3.67Å; P192-V195 HydrophobicContact CG-CG2 4.09Å; P192-V195 VanDerWaalsContact O-CB 3.25Å; P192-V195 WeakPolarHBondContact O-CB 3.36Å; P192-V195 PolarHBondContact O-N 2.84Å; E193-V195 PolarHBondContact O-N 3.11Å
196E98.9Very high98.6Very high8 Ų830.1 Ų30.14%0.03716%0.157CC..Hα-helixtrans-70.1-50.6172.8-171.8-167.4175.700109.9A163 E193 E198 A199 V200 V219 M220 S221 A224 P269A163-E196 WeakPolarHBondContact O-CA 3.48Å; A163-E196 WeakPolarHBondContact O-CG 3.47Å; E193-E196 WeakPolarHBondContact O-CB 3.12Å; E193-E196 PolarHBondContact O-N 2.99Å; E193-E196 VanDerWaalsContact O-N 3.09Å; E196-E198 PolarHBondContact O-N 3.33Å; E196-A199 PolarHBondContact O-N 3.05Å; E196-V200 HydrophobicContact CG-CG2 4.45Å; E196-V200 WeakPolarHBondContact O-CG2 3.35Å; E196-V200 PolarHBondContact O-N 2.75Å; E196-V219 WeakPolarHBondContact OE1-CA 3.47Å; E196-M220 PolarHBondContact OE1-N 3Å; E196-S221 WeakPolarHBondContact OE2-CB 3.37Å; E196-S221 PolarHBondContact OE2-N 3.44Å; E196-S221 VanDerWaalsContact OE2-N 3.14Å; E196-S221 PolarHBondContact OE2-OG 2.75Å; E196-A224 HydrophobicContact CB-CB 4.42Å; E196-A224 VanDerWaalsContact CD-CB 3.43Å; E196-A224 HydrophobicContact CG-CB 3.73Å; E196-A224 WeakPolarHBondContact OE1-CB 3.47Å; E196-P269 HydrophobicContact CG-CB 4.35Å; E196-P269 HydrophobicContact CG-CG 4.07Å
197A98.8Very high98.6Very high13 Ų1330.2 Ų30.211%0.10716%0.157CC..Hα-helixtrans-60.2-40.7-176.600000113.3E193 E194 V200 N201 V227E193-A197 PolarHBondContact O-N 2.8Å; E194-A197 PolarHBondContact O-N 3.27Å; A197-V200 PolarHBondContact O-N 3.34Å; A197-N201 WeakPolarHBondContact O-CB 3.4Å; A197-N201 PolarHBondContact O-N 3.37Å; A197-V227 HydrophobicContact CB-CG2 4.48Å
198E98.9Very high98.5Very high65 Ų6533.7 Ų33.730%0.30418%0.176SC..Hα-helixtrans-59.8-51.8174.9-174.7-76.9131.900111.2N165 E194 E196 V200 N201 R202N165-E198 WeakPolarHBondContact CB-OE2 3.25Å; N165-E198 PolarHBondContact ND2-OE2 2.8Å; E194-E198 WeakPolarHBondContact O-CB 3.47Å; E194-E198 PolarHBondContact O-N 3.35Å; E196-E198 PolarHBondContact O-N 3.33Å; E198-V200 VanDerWaalsContact C-N 3.31Å; E198-V200 PolarHBondContact O-N 3.17Å; E198-N201 WeakPolarHBondContact O-CB 3.28Å; E198-N201 PolarHBondContact O-N 3.25Å; E198-N201 VanDerWaalsContact O-N 3.13Å; E198-R202 WeakPolarHBondContact O-CB 3.35Å; E198-R202 PolarHBondContact O-N 3.05Å; E198-R202 IonicContact OE1-CZ 3.53Å; E198-R202 IonicContact OE1-NE 3.5Å; E198-R202 PolarHBondContact OE1-NE 2.97Å; E198-R202 IonicContact OE1-NH2 2.81Å; E198-R202 IonicContact OE2-CZ 2.74Å; E198-R202 IonicContact OE2-NE 3.7Å; E198-R202 IonicContact OE2-NH2 3.82Å; E198-R202 PolarHBondContact OE2-NH2 2.83Å
199A98.9Very high98.4Very high0 Ų040 Ų400%021%0.205CC..Hα-helixtrans-65.3-35.5-177.400000111.8L132 A163 E164 E196 S203L132-A199 HydrophobicContact CD2-CB 3.88Å; A163-A199 HydrophobicContact CB-CB 4.04Å; E164-A199 VanDerWaalsContact C-CB 3.46Å; E196-A199 PolarHBondContact O-N 3.05Å; A199-S203 VanDerWaalsContact O-CB 3.3Å; A199-S203 WeakPolarHBondContact O-CB 3.49Å; A199-S203 PolarHBondContact O-N 2.61Å; A199-S203 PolarHBondContact O-OG 2.84Å
200V98.9Very high98.4Very high0 Ų036.7 Ų36.70%019%0.188CC..Hα-helixtrans-62.6-47171.7171.70000110.6A163 E196 A197 E198 R202 S203 V204 I216 A224 V227 I228A163-V200 HydrophobicContact CB-CG2 3.59Å; E196-V200 HydrophobicContact CG-CG2 4.45Å; E196-V200 WeakPolarHBondContact O-CG2 3.35Å; E196-V200 PolarHBondContact O-N 2.75Å; A197-V200 PolarHBondContact O-N 3.34Å; E198-V200 VanDerWaalsContact C-N 3.31Å; E198-V200 PolarHBondContact O-N 3.17Å; V200-R202 PolarHBondContact O-N 2.95Å; V200-S203 PolarHBondContact O-N 3.45Å; V200-V204 WeakPolarHBondContact O-CG2 3.33Å; V200-V204 PolarHBondContact O-N 3.07Å; V200-I216 HydrophobicContact CG1-CD1 4.29Å; V200-I216 HydrophobicContact CG1-CG1 4.15Å; V200-I216 HydrophobicContact CG2-CD1 4.48Å; V200-I216 HydrophobicContact CG2-CG2 3.79Å; V200-A224 HydrophobicContact CG2-CB 4.12Å; V200-V227 HydrophobicContact CB-CG1 4.42Å; V200-V227 HydrophobicContact CG1-CB 4.1Å; V200-V227 HydrophobicContact CG1-CG1 3.74Å; V200-I228 HydrophobicContact CG1-CD1 4.39Å; V200-I228 HydrophobicContact CG1-CG1 3.79Å
201N98.9Very high98.3Very high85 Ų8538 Ų3846%0.45520%0.195SC..Hα-helixtrans-63.4-42.3179.4178.268.7000112.3A197 E198 V204 T205 V227A197-N201 WeakPolarHBondContact O-CB 3.4Å; A197-N201 PolarHBondContact O-N 3.37Å; E198-N201 WeakPolarHBondContact O-CB 3.28Å; E198-N201 PolarHBondContact O-N 3.25Å; E198-N201 VanDerWaalsContact O-N 3.13Å; N201-V204 PolarHBondContact O-N 3.18Å; N201-T205 PolarHBondContact O-N 2.95Å; N201-T205 PolarHBondContact O-OG1 3.46Å; N201-V227 HydrophobicContact CB-CG1 3.72Å; N201-V227 HydrophobicContact CB-CG2 4.44Å
202R98.8Very high98.3Very high38 Ų3837.8 Ų37.814%0.14319%0.194CC..Hα-helixtrans-62.4-46.1174.5178.8154.449.9111.4-2.1111.7D142 N165 E198 V200 V204 T205 I206D142-R202 WeakPolarHBondContact OD1-CD 3.5Å; D142-R202 IonicContact OD1-CZ 3.11Å; D142-R202 IonicContact OD1-NH1 3.53Å; D142-R202 PolarHBondContact OD1-NH1 3.02Å; D142-R202 WeakPolarHBondContact OD2-CD 3.36Å; D142-R202 IonicContact OD2-NH1 3.1Å; N165-R202 PolarHBondContact ND2-NH2 2.84Å; E198-R202 WeakPolarHBondContact O-CB 3.35Å; E198-R202 PolarHBondContact O-N 3.05Å; E198-R202 IonicContact OE1-CZ 3.53Å; E198-R202 IonicContact OE1-NE 3.5Å; E198-R202 PolarHBondContact OE1-NE 2.97Å; E198-R202 IonicContact OE1-NH2 2.81Å; E198-R202 IonicContact OE2-CZ 2.74Å; E198-R202 IonicContact OE2-NE 3.7Å; E198-R202 IonicContact OE2-NH2 3.82Å; E198-R202 PolarHBondContact OE2-NH2 2.83Å; V200-R202 PolarHBondContact O-N 2.95Å; R202-V204 PolarHBondContact O-N 3.22Å; R202-T205 WeakPolarHBondContact O-CB 3.46Å; R202-T205 PolarHBondContact O-N 2.86Å; R202-T205 VanDerWaalsContact O-N 3.09Å; R202-I206 HydrophobicContact CG-CD1 4Å; R202-I206 WeakPolarHBondContact O-CG1 3.34Å; R202-I206 PolarHBondContact O-N 3.41Å
203S98.8Very high98.4Very high0 Ų035.3 Ų35.30%018%0.179CC..Hα-helixtrans-59.2-45.6176.1-58.90000112.2L132 A199 V200 T205 I206 A207L132-S203 WeakPolarHBondContact CD2-OG 3.43Å; A199-S203 VanDerWaalsContact O-CB 3.3Å; A199-S203 WeakPolarHBondContact O-CB 3.49Å; A199-S203 PolarHBondContact O-N 2.61Å; A199-S203 PolarHBondContact O-OG 2.84Å; V200-S203 PolarHBondContact O-N 3.45Å; S203-T205 VanDerWaalsContact C-N 3.27Å; S203-T205 PolarHBondContact O-N 3.07Å; S203-I206 PolarHBondContact O-N 2.72Å; S203-A207 VanDerWaalsContact O-CB 3.29Å; S203-A207 WeakPolarHBondContact O-CB 3.44Å; S203-A207 PolarHBondContact O-N 3.08Å
204V98.9Very high98.5Very high10 Ų1032.5 Ų32.56%0.06117%0.166CC..Hα-helixtrans-58.1-42.2174.8165.30000111.1V200 N201 R202 N208 L214 A231 V238V200-V204 WeakPolarHBondContact O-CG2 3.33Å; V200-V204 PolarHBondContact O-N 3.07Å; N201-V204 PolarHBondContact O-N 3.18Å; R202-V204 PolarHBondContact O-N 3.22Å; V204-N208 WeakPolarHBondContact O-CB 3.21Å; V204-N208 VanDerWaalsContact O-CG 3.27Å; V204-N208 PolarHBondContact O-N 3.46Å; V204-N208 PolarHBondContact O-ND2 2.83Å; V204-N208 VanDerWaalsContact O-ND2 3.14Å; V204-L214 HydrophobicContact CB-CD2 4.32Å; V204-L214 HydrophobicContact CG2-CD2 3.8Å; V204-A231 HydrophobicContact CG1-CB 3.62Å; V204-A231 HydrophobicContact CG2-CB 4.13Å; V204-V238 HydrophobicContact CG2-CG2 4.16Å
205T98.8Very high98.5Very high68 Ų6826.6 Ų26.642%0.41714%0.138SC..Hα-helixtrans-63.2-49.9-179.6-60.30000110.8N201 R202 S203 N208 Q209N201-T205 PolarHBondContact O-N 2.95Å; N201-T205 PolarHBondContact O-OG1 3.46Å; R202-T205 WeakPolarHBondContact O-CB 3.46Å; R202-T205 PolarHBondContact O-N 2.86Å; R202-T205 VanDerWaalsContact O-N 3.09Å; S203-T205 VanDerWaalsContact C-N 3.27Å; S203-T205 PolarHBondContact O-N 3.07Å; T205-N208 PolarHBondContact O-N 2.89Å; T205-Q209 WeakPolarHBondContact O-CG 3.46Å; T205-Q209 PolarHBondContact O-N 3.38Å
206I98.8Very high98.5Very high17 Ų1726.4 Ų26.49%0.08714%0.136CC..Hα-helixtrans-64.8-43.2179.9-61.4167.3000111.2D142 I145 Y146 F149 R202 S203 N208 Q209 T210D142-I206 HydrophobicContact CB-CD1 4.13Å; I145-I206 HydrophobicContact CB-CD1 4.49Å; I145-I206 HydrophobicContact CG2-CD1 4.18Å; I145-I206 HydrophobicContact CG2-CG2 4.05Å; Y146-I206 HydrophobicContact CD2-CG2 4.15Å; F149-I206 HydrophobicContact CD2-CB 4.38Å; F149-I206 HydrophobicContact CD2-CG2 3.84Å; F149-I206 HydrophobicContact CE2-CB 4.36Å; F149-I206 HydrophobicContact CE2-CG2 4.22Å; R202-I206 HydrophobicContact CG-CD1 4Å; R202-I206 WeakPolarHBondContact O-CG1 3.34Å; R202-I206 PolarHBondContact O-N 3.41Å; S203-I206 PolarHBondContact O-N 2.72Å; I206-N208 VanDerWaalsContact C-N 3.32Å; I206-N208 PolarHBondContact O-N 3.37Å; I206-Q209 PolarHBondContact O-N 2.93Å; I206-T210 PolarHBondContact O-N 3.4Å; I206-T210 PolarHBondContact O-OG1 3.49Å
207A98.6Very high98.5Very high2 Ų226.1 Ų26.12%0.01714%0.135CC..Hα-helixtrans-61.3-39.1176.900000112.5F149 S203 T210 N211 C212 L214F149-A207 HydrophobicContact CD2-CB 3.94Å; F149-A207 HydrophobicContact CE2-CB 3.9Å; S203-A207 VanDerWaalsContact O-CB 3.29Å; S203-A207 WeakPolarHBondContact O-CB 3.44Å; S203-A207 PolarHBondContact O-N 3.08Å; A207-T210 WeakPolarHBondContact CA-OG1 3.12Å; A207-T210 PolarHBondContact O-N 3.41Å; A207-T210 PolarHBondContact O-OG1 2.92Å; A207-T210 VanDerWaalsContact O-OG1 3.11Å; A207-N211 WeakPolarHBondContact O-CA 3.11Å; A207-N211 PolarHBondContact O-N 3.17Å; A207-C212 PolarHBondContact O-N 2.76Å; A207-L214 HydrophobicContact CB-CB 3.77Å; A207-L214 HydrophobicContact CB-CD1 4.3Å; A207-L214 HydrophobicContact CB-CD2 3.9Å; A207-L214 HydrophobicContact CB-CG 4.22Å
208N97.4Very high98.4Very high73 Ų7325.9 Ų25.939%0.3913%0.132SC..Hα-helixtrans-67.3-40.1175-76.3-32.9000112.4V204 T205 I206 T210 N211 A236V204-N208 WeakPolarHBondContact O-CB 3.21Å; V204-N208 VanDerWaalsContact O-CG 3.27Å; V204-N208 PolarHBondContact O-N 3.46Å; V204-N208 PolarHBondContact O-ND2 2.83Å; V204-N208 VanDerWaalsContact O-ND2 3.14Å; T205-N208 PolarHBondContact O-N 2.89Å; I206-N208 VanDerWaalsContact C-N 3.32Å; I206-N208 PolarHBondContact O-N 3.37Å; N208-T210 VanDerWaalsContact C-N 3.28Å; N208-T210 PolarHBondContact O-N 2.54Å; N208-N211 PolarHBondContact O-N 3.27Å; N208-A236 WeakPolarHBondContact OD1-CB 3.4Å
209Q96.8Very high98.4Very high140 Ų14022.8 Ų22.865%0.65412%0.117SC*.Hα-helixtrans-63.2-36.4176.4-68.8-55.6-39.400112.3Y146 T205 I206Y146-Q209 HydrophobicContact CE2-CB 4.06Å; T205-Q209 WeakPolarHBondContact O-CG 3.46Å; T205-Q209 PolarHBondContact O-N 3.38Å; I206-Q209 PolarHBondContact O-N 2.93Å
210T96.9Very high98.4Very high1 Ų122.8 Ų22.81%0.00612%0.118CC..Hα-helixtrans-85.9-7.7177.755.10000113Y146 F149 S150 R153 I206 A207 N208 C212Y146-T210 HydrophobicContact CD1-CG2 4.19Å; Y146-T210 HydrophobicContact CD2-CG2 3.53Å; Y146-T210 HydrophobicContact CE1-CG2 4.15Å; Y146-T210 HydrophobicContact CE2-CG2 3.5Å; Y146-T210 VanDerWaalsContact CE2-CG2 3.5Å; Y146-T210 HydrophobicContact CG-CG2 3.87Å; Y146-T210 WeakPolarHBondContact O-CG2 3.46Å; F149-T210 HydrophobicContact CB-CG2 4.19Å; S150-T210 WeakPolarHBondContact OG-CG2 3.49Å; R153-T210 VanDerWaalsContact CD-O 3.26Å; R153-T210 WeakPolarHBondContact CD-O 3.43Å; R153-T210 PolarHBondContact NH1-O 2.58Å; I206-T210 PolarHBondContact O-N 3.4Å; I206-T210 PolarHBondContact O-OG1 3.49Å; A207-T210 WeakPolarHBondContact CA-OG1 3.12Å; A207-T210 PolarHBondContact O-N 3.41Å; A207-T210 PolarHBondContact O-OG1 2.92Å; A207-T210 VanDerWaalsContact O-OG1 3.11Å; N208-T210 VanDerWaalsContact C-N 3.28Å; N208-T210 PolarHBondContact O-N 2.54Å; T210-C212 PolarHBondContact O-N 3.18Å; T210-C212 WeakPolarHBondContact OG1-CB 3.41Å
211N97.4Very high98.4Very high27 Ų2722.9 Ų22.914%0.14412%0.118CC..THydrogen-bonded Turntrans50.737.5-168.6-167.539.7000112.3A207 N208 I446 R449 S450A207-N211 WeakPolarHBondContact O-CA 3.11Å; A207-N211 PolarHBondContact O-N 3.17Å; N208-N211 PolarHBondContact O-N 3.27Å; N211-I446 PolarHBondContact ND2-O 3.4Å; N211-I446 WeakPolarHBondContact O-CG2 3.46Å; N211-R449 WeakPolarHBondContact OD1-CD 3.37Å; N211-S450 PolarHBondContact ND2-OG 2.9Å
212C98.6Very high98.4Very high4 Ų420.8 Ų20.83%0.02711%0.105CC..  trans-92.9136175.8-174.70000110.2F149 R153 A207 T210 L214F149-C212 HydrophobicContact CB-CB 3.88Å; F149-C212 HydrophobicContact CG-CB 4.47Å; F149-C212 WeakPolarHBondContact O-CB 3.34Å; F149-C212 PolarHBondContact O-SG 2.94Å; R153-C212 HydrophobicContact CB-CB 4.11Å; A207-C212 PolarHBondContact O-N 2.76Å; T210-C212 PolarHBondContact O-N 3.18Å; T210-C212 WeakPolarHBondContact OG1-CB 3.41Å; C212-L214 PolarHBondContact O-N 2.93Å
213P98.6Very high98.4Very high0 Ų020.2 Ų20.20%011%0.107CC..  trans-69.5129.6171.729.2-33.8000111.2I158 A159 V237 V442 Y443 I446I158-P213 HydrophobicContact CG1-CB 4.43Å; A159-P213 PolarHBondContact N-O 3.3Å; P213-V237 HydrophobicContact CB-CG1 3.87Å; P213-V442 HydrophobicContact CB-CG1 3.21Å; P213-V442 HydrophobicContact CG-CG1 3.5Å; P213-V442 VanDerWaalsContact CG-CG1 3.5Å; P213-Y443 HydrophobicContact CG-CE1 4.47Å; P213-Y443 HydrophobicContact CG-CE2 3.8Å; P213-I446 HydrophobicContact CB-CD1 4.48Å; P213-I446 HydrophobicContact CB-CG1 4.41Å
214L98.9Very high98.4Very high2 Ų220.2 Ų20.21%0.0111%0.107CC..EExtended strand (participates in β ladder)trans-109.2142.6-173.8-176.364.5000112.1F149 A159 V161 V204 A207 C212 I216 V237 V238 Y239F149-L214 HydrophobicContact CE2-CD1 4.08Å; F149-L214 HydrophobicContact CZ-CD1 3.86Å; A159-L214 CarbonylContact O-C 3.6Å; V161-L214 HydrophobicContact CB-CD1 4.47Å; V161-L214 HydrophobicContact CG2-CD1 3.46Å; V161-L214 VanDerWaalsContact CG2-CD1 3.46Å; V204-L214 HydrophobicContact CB-CD2 4.32Å; V204-L214 HydrophobicContact CG2-CD2 3.8Å; A207-L214 HydrophobicContact CB-CB 3.77Å; A207-L214 HydrophobicContact CB-CD1 4.3Å; A207-L214 HydrophobicContact CB-CD2 3.9Å; A207-L214 HydrophobicContact CB-CG 4.22Å; C212-L214 PolarHBondContact O-N 2.93Å; L214-I216 HydrophobicContact CD1-CD1 4.29Å; L214-I216 HydrophobicContact CD2-CD1 3.8Å; L214-I216 HydrophobicContact CG-CD1 3.93Å; L214-V237 PolarHBondContact N-O 2.87Å; L214-V238 HydrophobicContact CB-CB 4.36Å; L214-V238 HydrophobicContact CB-CG2 4.18Å; L214-V238 HydrophobicContact CD2-CG2 3.98Å; L214-V238 HydrophobicContact CG-CG2 4.11Å; L214-V238 CarbonylContact O-C 3.35Å; L214-V238 VanDerWaalsContact O-CA 3.28Å; L214-V238 WeakPolarHBondContact O-CA 3.41Å; L214-Y239 WeakPolarHBondContact O-CD2 3.33Å; L214-Y239 PolarHBondContact O-N 2.78Å
215Y98.9Very high98.4Very high0 Ų019.8 Ų19.80%010%0.104CC..EExtended strand (participates in β ladder)trans-130.8114.3175.2-171.2-75.5000109.4V36 I158 A159 Q160 V161 T217 Y239 E241 I355 F356V36-Y215 WeakPolarHBondContact CG2-OH 3.24Å; I158-Y215 HydrophobicContact CD1-CD2 4.06Å; I158-Y215 HydrophobicContact CD1-CG 4.41Å; A159-Y215 PolarHBondContact O-N 2.84Å; Q160-Y215 CarbonylContact C-O 3.54Å; Q160-Y215 VanDerWaalsContact CA-O 3.23Å; Q160-Y215 WeakPolarHBondContact CA-O 3.33Å; Q160-Y215 HydrophobicContact CG-CD1 3.78Å; Q160-Y215 HydrophobicContact CG-CG 4.06Å; V161-Y215 PolarHBondContact N-O 2.95Å; Y215-T217 HydrophobicContact CD1-CG2 3.88Å; Y215-T217 HydrophobicContact CE1-CG2 3.97Å; Y215-Y239 WeakPolarHBondContact CA-O 3.31Å; Y215-Y239 HydrophobicContact CD2-CG 4.43Å; Y215-E241 HydrophobicContact CE1-CB 3.58Å; Y215-E241 HydrophobicContact CE1-CG 4.23Å; Y215-E241 WeakPolarHBondContact CE1-OE2 3.44Å; Y215-E241 VanDerWaalsContact CZ-OE2 3.25Å; Y215-E241 WeakPolarHBondContact OH-CB 3.32Å; Y215-E241 WeakPolarHBondContact OH-CG 3.46Å; Y215-E241 PolarHBondContact OH-OE2 2.67Å; Y215-I355 HydrophobicContact CD2-CG2 4.2Å; Y215-I355 HydrophobicContact CE2-CD1 4.37Å; Y215-I355 HydrophobicContact CE2-CG2 4.32Å; Y215-F356 HydrophobicContact CD2-CZ 4.26Å; Y215-F356 HydrophobicContact CE2-CE2 4.26Å; Y215-F356 AromaticContact CE2-CZ 3.88Å; Y215-F356 HydrophobicContact CE2-CZ 3.88Å
216I98.9Very high98.4Very high1 Ų119.9 Ų19.91%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-88115176.6-54.1-58.3000108.5V161 V200 L214 V219 I228 V238 Y239 E241V161-I216 HydrophobicContact CB-CD1 4.37Å; V200-I216 HydrophobicContact CG1-CD1 4.29Å; V200-I216 HydrophobicContact CG1-CG1 4.15Å; V200-I216 HydrophobicContact CG2-CD1 4.48Å; V200-I216 HydrophobicContact CG2-CG2 3.79Å; L214-I216 HydrophobicContact CD1-CD1 4.29Å; L214-I216 HydrophobicContact CD2-CD1 3.8Å; L214-I216 HydrophobicContact CG-CD1 3.93Å; I216-V219 HydrophobicContact CB-CG2 4.32Å; I216-V219 HydrophobicContact CG2-CG2 3.87Å; I216-I228 HydrophobicContact CB-CD1 3.89Å; I216-I228 HydrophobicContact CG1-CD1 3.99Å; I216-I228 HydrophobicContact CG1-CG1 4.18Å; I216-I228 HydrophobicContact CG2-CD1 4.1Å; I216-V238 HydrophobicContact CG1-CG2 4.03Å; I216-Y239 PolarHBondContact N-O 3.26Å; I216-E241 WeakPolarHBondContact O-CB 3.47Å; I216-E241 PolarHBondContact O-N 2.99Å
217T98.3Very high98.4Very high2 Ų220.5 Ų20.51%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-82.8153.3175.9650000111.1L129 Q160 V161 Y215 V219L129-T217 HydrophobicContact CD1-CG2 3.81Å; Q160-T217 HydrophobicContact CB-CG2 3.97Å; Q160-T217 HydrophobicContact CG-CG2 4.18Å; V161-T217 PolarHBondContact O-N 2.96Å; V161-T217 VanDerWaalsContact O-N 3.09Å; V161-T217 PolarHBondContact O-OG1 3.3Å; Y215-T217 HydrophobicContact CD1-CG2 3.88Å; Y215-T217 HydrophobicContact CE1-CG2 3.97Å; T217-V219 PolarHBondContact O-N 3.26Å
218K98.1Very high98.4Very high8 Ų820.4 Ų20.44%0.03511%0.106CC..EExtended strand (participates in β ladder)trans47.263.3174.1-59.6179.9-69.1-179.80112.8H162 M220 E241 I243 S268 A296H162-K218 PolarHBondContact ND1-NZ 2.61Å; K218-M220 HydrophobicContact CB-SD 4.48Å; K218-M220 WeakPolarHBondContact O-CG 3.43Å; K218-M220 PolarHBondContact O-N 3.35Å; K218-E241 WeakPolarHBondContact CA-O 3.48Å; K218-E241 PolarHBondContact N-O 3.5Å; K218-E241 PolarHBondContact N-OE1 2.88Å; K218-I243 HydrophobicContact CG-CD1 4.34Å; K218-I243 HydrophobicContact CG-CG2 4.1Å; K218-S268 VanDerWaalsContact CE-O 3.22Å; K218-S268 WeakPolarHBondContact CE-O 3.48Å; K218-S268 PolarHBondContact NZ-O 3Å; K218-A296 HydrophobicContact CD-CB 3.84Å; K218-A296 HydrophobicContact CG-CB 3.84Å
219V98.8Very high98.5Very high0 Ų017.7 Ų17.70%09%0.093CC..EExtended strand (participates in β ladder)trans-72.9110.7170.9-177.20000108.4E196 I216 T217 A224 A225 I228 E241 S246 L281 L290E196-V219 WeakPolarHBondContact OE1-CA 3.47Å; I216-V219 HydrophobicContact CB-CG2 4.32Å; I216-V219 HydrophobicContact CG2-CG2 3.87Å; T217-V219 PolarHBondContact O-N 3.26Å; V219-A224 HydrophobicContact CG1-CB 4.43Å; V219-A225 HydrophobicContact CG1-CB 3.94Å; V219-I228 HydrophobicContact CG1-CD1 4.39Å; V219-I228 HydrophobicContact CG2-CD1 3.62Å; V219-E241 PolarHBondContact N-O 2.88Å; V219-S246 PolarHBondContact O-OG 3.27Å; V219-L281 HydrophobicContact CG1-CD2 4.25Å; V219-L290 HydrophobicContact CB-CD2 4.5Å; V219-L290 HydrophobicContact CG1-CD2 4.25Å; V219-L290 HydrophobicContact CG2-CD2 4.22Å
220M98.6Very high98.6Very high1 Ų115.4 Ų15.41%0.0059%0.085CC..  trans-111.6-18.3-171.1-58.6-61.5-72.500113.8E196 K218 I243 T267 P269 P270 L271 T277E196-M220 PolarHBondContact OE1-N 3Å; K218-M220 HydrophobicContact CB-SD 4.48Å; K218-M220 WeakPolarHBondContact O-CG 3.43Å; K218-M220 PolarHBondContact O-N 3.35Å; M220-I243 HydrophobicContact CE-CD1 4.18Å; M220-I243 HydrophobicContact SD-CD1 3.57Å; M220-I243 VanDerWaalsContact SD-CD1 3.57Å; M220-I243 HydrophobicContact SD-CG1 3.61Å; M220-T267 HydrophobicContact CE-CG2 4.08Å; M220-P269 HydrophobicContact CB-CB 4.04Å; M220-P269 HydrophobicContact CG-CB 3.75Å; M220-P269 HydrophobicContact CG-CG 4Å; M220-P269 WeakPolarHBondContact CG-O 3.42Å; M220-P270 WeakPolarHBondContact CB-O 3.23Å; M220-L271 HydrophobicContact CE-CB 4.45Å; M220-L271 HydrophobicContact CE-CD2 3.54Å; M220-L271 HydrophobicContact CE-CG 3.75Å; M220-T277 WeakPolarHBondContact O-CG2 3.26Å
221S98.7Very high98.7Very high2 Ų215.7 Ų15.71%0.0149%0.088CC..SBendtrans-123.7159.3-176.366.30000114.3E193 E196 S223 A224 A225E193-S221 VanDerWaalsContact CB-CB 3.48Å; E196-S221 WeakPolarHBondContact OE2-CB 3.37Å; E196-S221 PolarHBondContact OE2-N 3.44Å; E196-S221 VanDerWaalsContact OE2-N 3.14Å; E196-S221 PolarHBondContact OE2-OG 2.75Å; S221-S223 PolarHBondContact OG-OG 3.04Å; S221-A224 VanDerWaalsContact OG-CB 3.25Å; S221-A224 WeakPolarHBondContact OG-CB 3.26Å; S221-A224 PolarHBondContact OG-N 3.16Å; S221-A225 WeakPolarHBondContact O-CB 3.2Å; S221-A225 PolarHBondContact O-N 2.77Å
222K98.9Very high98.7Very high41 Ų4117.6 Ų17.618%0.1789%0.093CC..Hα-helixtrans-65.5-44.3175.6-57.6-177.2-1801670111.6A224 A225 D226 D274 T276 T277 Y280K222-A224 PolarHBondContact O-N 3Å; K222-A225 WeakPolarHBondContact O-CB 3.3Å; K222-A225 PolarHBondContact O-N 3.34Å; K222-A225 VanDerWaalsContact O-N 3.16Å; K222-D226 VanDerWaalsContact O-CG 3.31Å; K222-D226 PolarHBondContact O-N 2.86Å; K222-D274 WeakPolarHBondContact CE-OD2 3.48Å; K222-D274 IonicContact NZ-OD1 2.88Å; K222-D274 IonicContact NZ-OD2 2.66Å; K222-D274 PolarHBondContact NZ-OD2 3.14Å; K222-T276 PolarHBondContact NZ-OG1 2.8Å; K222-T277 HydrophobicContact CG-CG2 4.16Å; K222-Y280 HydrophobicContact CB-CD1 3.68Å; K222-Y280 HydrophobicContact CB-CE1 3.83Å; K222-Y280 HydrophobicContact CB-CG 4.46Å; K222-Y280 HydrophobicContact CD-CD1 4.05Å; K222-Y280 HydrophobicContact CD-CG 4.02Å; K222-Y280 HydrophobicContact CG-CD1 3.52Å; K222-Y280 HydrophobicContact CG-CE1 4.18Å; K222-Y280 HydrophobicContact CG-CG 3.91Å
223S98.7Very high98.7Very high26 Ų2626.2 Ų26.218%0.18213%0.13CC..Hα-helixtrans-63.2-41.1-178.246.40000112.2E193 S221 D226 V227E193-S223 WeakPolarHBondContact OE1-CB 3.4Å; E193-S223 PolarHBondContact OE1-OG 3.14Å; S221-S223 PolarHBondContact OG-OG 3.04Å; S223-D226 PolarHBondContact O-N 3.36Å; S223-V227 WeakPolarHBondContact O-CG2 3.4Å; S223-V227 PolarHBondContact O-N 3.12Å; S223-V227 VanDerWaalsContact O-N 3.14Å
224A98.9Very high98.7Very high0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-62.8-43.5171.800000112.4E196 V200 V219 S221 K222 D226 V227 I228E196-A224 HydrophobicContact CB-CB 4.42Å; E196-A224 VanDerWaalsContact CD-CB 3.43Å; E196-A224 HydrophobicContact CG-CB 3.73Å; E196-A224 WeakPolarHBondContact OE1-CB 3.47Å; V200-A224 HydrophobicContact CG2-CB 4.12Å; V219-A224 HydrophobicContact CG1-CB 4.43Å; S221-A224 VanDerWaalsContact OG-CB 3.25Å; S221-A224 WeakPolarHBondContact OG-CB 3.26Å; S221-A224 PolarHBondContact OG-N 3.16Å; K222-A224 PolarHBondContact O-N 3Å; A224-D226 VanDerWaalsContact C-N 3.33Å; A224-D226 PolarHBondContact O-N 2.84Å; A224-V227 PolarHBondContact O-N 2.82Å; A224-I228 WeakPolarHBondContact O-CG1 3.42Å; A224-I228 PolarHBondContact O-N 3.01Å; A224-I228 VanDerWaalsContact O-N 3.16Å
225A98.9Very high98.6Very high0 Ų035.2 Ų35.20%018%0.176CC..Hα-helixtrans-63.7-37.5177.900000112.5V219 S221 K222 I228 A229 L281 L284 L290V219-A225 HydrophobicContact CG1-CB 3.94Å; S221-A225 WeakPolarHBondContact O-CB 3.2Å; S221-A225 PolarHBondContact O-N 2.77Å; K222-A225 WeakPolarHBondContact O-CB 3.3Å; K222-A225 PolarHBondContact O-N 3.34Å; K222-A225 VanDerWaalsContact O-N 3.16Å; A225-I228 WeakPolarHBondContact O-CB 3.48Å; A225-I228 PolarHBondContact O-N 3.1Å; A225-A229 PolarHBondContact O-N 3.2Å; A225-L281 HydrophobicContact CB-CD2 3.6Å; A225-L284 HydrophobicContact CB-CD2 3.42Å; A225-L284 VanDerWaalsContact CB-CD2 3.42Å; A225-L290 HydrophobicContact CB-CD1 4.35Å
226D98.9Very high98.5Very high70 Ų7035.5 Ų35.537%0.37418%0.179SC..Hα-helixtrans-64.9-39.4175.6-74.2-13.4000112.5K222 S223 A224 I228 A229 L230 Y280K222-D226 VanDerWaalsContact O-CG 3.31Å; K222-D226 PolarHBondContact O-N 2.86Å; S223-D226 PolarHBondContact O-N 3.36Å; A224-D226 VanDerWaalsContact C-N 3.33Å; A224-D226 PolarHBondContact O-N 2.84Å; D226-I228 VanDerWaalsContact C-N 3.31Å; D226-I228 PolarHBondContact O-N 2.86Å; D226-A229 PolarHBondContact O-N 3.05Å; D226-L230 VanDerWaalsContact O-CB 3.31Å; D226-L230 WeakPolarHBondContact O-CB 3.5Å; D226-L230 PolarHBondContact O-N 3.08Å; D226-Y280 WeakPolarHBondContact OD1-CE1 3.5Å; D226-Y280 PolarHBondContact OD1-OH 3.07Å
227V98.9Very high98.5Very high30 Ų3035.6 Ų35.618%0.18218%0.18CC..Hα-helixtrans-60.8-43.8173.8172.90000110.4A197 V200 N201 S223 A224 L230 A231A197-V227 HydrophobicContact CB-CG2 4.48Å; V200-V227 HydrophobicContact CB-CG1 4.42Å; V200-V227 HydrophobicContact CG1-CB 4.1Å; V200-V227 HydrophobicContact CG1-CG1 3.74Å; N201-V227 HydrophobicContact CB-CG1 3.72Å; N201-V227 HydrophobicContact CB-CG2 4.44Å; S223-V227 WeakPolarHBondContact O-CG2 3.4Å; S223-V227 PolarHBondContact O-N 3.12Å; S223-V227 VanDerWaalsContact O-N 3.14Å; A224-V227 PolarHBondContact O-N 2.82Å; V227-L230 PolarHBondContact O-N 2.93Å; V227-A231 VanDerWaalsContact O-CB 3.27Å; V227-A231 WeakPolarHBondContact O-CB 3.38Å; V227-A231 PolarHBondContact O-N 3.01Å
228I98.9Very high98.5Very high0 Ų035.6 Ų35.60%018%0.179CC..Hα-helixtrans-62.1-50.3176.7-64.9168000110.3V200 I216 V219 A224 A225 D226 L230 A231 R232 V238 L290V200-I228 HydrophobicContact CG1-CD1 4.39Å; V200-I228 HydrophobicContact CG1-CG1 3.79Å; I216-I228 HydrophobicContact CB-CD1 3.89Å; I216-I228 HydrophobicContact CG1-CD1 3.99Å; I216-I228 HydrophobicContact CG1-CG1 4.18Å; I216-I228 HydrophobicContact CG2-CD1 4.1Å; V219-I228 HydrophobicContact CG1-CD1 4.39Å; V219-I228 HydrophobicContact CG2-CD1 3.62Å; A224-I228 WeakPolarHBondContact O-CG1 3.42Å; A224-I228 PolarHBondContact O-N 3.01Å; A224-I228 VanDerWaalsContact O-N 3.16Å; A225-I228 WeakPolarHBondContact O-CB 3.48Å; A225-I228 PolarHBondContact O-N 3.1Å; D226-I228 VanDerWaalsContact C-N 3.31Å; D226-I228 PolarHBondContact O-N 2.86Å; I228-L230 VanDerWaalsContact C-N 3.34Å; I228-L230 PolarHBondContact O-N 2.84Å; I228-A231 PolarHBondContact O-N 3.13Å; I228-R232 HydrophobicContact CG2-CG 4.35Å; I228-R232 VanDerWaalsContact O-CG 3.27Å; I228-R232 WeakPolarHBondContact O-CG 3.49Å; I228-R232 PolarHBondContact O-N 3.29Å; I228-V238 HydrophobicContact CG2-CG1 4.32Å; I228-L290 HydrophobicContact CD1-CD2 4.1Å; I228-L290 HydrophobicContact CG2-CD2 4.46Å
229A98.8Very high98.5Very high16 Ų1635.4 Ų35.413%0.13218%0.179CC..Hα-helixtrans-56.8-47178.900000111.6A225 D226 A231 R232 K233 D289A225-A229 PolarHBondContact O-N 3.2Å; D226-A229 PolarHBondContact O-N 3.05Å; A229-A231 PolarHBondContact O-N 3.34Å; A229-R232 PolarHBondContact O-N 3.3Å; A229-K233 WeakPolarHBondContact O-CB 3.48Å; A229-K233 PolarHBondContact O-N 3.45Å; A229-D289 HydrophobicContact CB-CB 3.94Å
230L98.8Very high98.5Very high92 Ų9235.4 Ų35.448%0.48218%0.179SC..Hα-helixtrans-63.2-43177.7-179.261000112.2D226 V227 I228 K233 K234D226-L230 VanDerWaalsContact O-CB 3.31Å; D226-L230 WeakPolarHBondContact O-CB 3.5Å; D226-L230 PolarHBondContact O-N 3.08Å; V227-L230 PolarHBondContact O-N 2.93Å; I228-L230 VanDerWaalsContact C-N 3.34Å; I228-L230 PolarHBondContact O-N 2.84Å; L230-K233 PolarHBondContact O-N 3.02Å; L230-K234 WeakPolarHBondContact O-CG 3.44Å; L230-K234 PolarHBondContact O-N 3.48Å
231A98.7Very high98.5Very high8 Ų835.4 Ų35.47%0.06618%0.178CC..Hα-helixtrans-61.8-44.5177.400000111.4V204 V227 I228 A229 K233 K234 G235 A236 V238V204-A231 HydrophobicContact CG1-CB 3.62Å; V204-A231 HydrophobicContact CG2-CB 4.13Å; V227-A231 VanDerWaalsContact O-CB 3.27Å; V227-A231 WeakPolarHBondContact O-CB 3.38Å; V227-A231 PolarHBondContact O-N 3.01Å; I228-A231 PolarHBondContact O-N 3.13Å; A229-A231 PolarHBondContact O-N 3.34Å; A231-K233 PolarHBondContact O-N 2.89Å; A231-K234 CarbonylContact O-C 2.98Å; A231-K234 WeakPolarHBondContact O-CB 3.12Å; A231-K234 PolarHBondContact O-N 3.26Å; A231-G235 PolarHBondContact O-N 3.48Å; A231-A236 HydrophobicContact CB-CB 4Å; A231-A236 VanDerWaalsContact O-CB 3.22Å; A231-A236 WeakPolarHBondContact O-CB 3.23Å; A231-A236 PolarHBondContact O-N 2.95Å; A231-V238 HydrophobicContact CB-CG1 3.92Å
232R98.4Very high98.5Very high67 Ų6735.3 Ų35.325%0.25318%0.178SC..Hα-helixtrans-62.8-41.5176.2-69.617559.178.3-6112I228 A229 K234 G235 V238 G288 D289 Q291I228-R232 HydrophobicContact CG2-CG 4.35Å; I228-R232 VanDerWaalsContact O-CG 3.27Å; I228-R232 WeakPolarHBondContact O-CG 3.49Å; I228-R232 PolarHBondContact O-N 3.29Å; A229-R232 PolarHBondContact O-N 3.3Å; R232-K234 VanDerWaalsContact C-N 3.27Å; R232-K234 PolarHBondContact O-N 3.49Å; R232-G235 VanDerWaalsContact O-CA 3.3Å; R232-G235 WeakPolarHBondContact O-CA 3.48Å; R232-G235 PolarHBondContact O-N 3.29Å; R232-V238 HydrophobicContact CG-CG1 3.51Å; R232-V238 PolarHBondContact NH1-O 3.25Å; R232-G288 PolarHBondContact NH2-O 3.21Å; R232-G288 VanDerWaalsContact NH2-O 3.14Å; R232-D289 WeakPolarHBondContact CD-O 3.46Å; R232-Q291 VanDerWaalsContact NE-NE2 3.1Å
233K98.3Very high98.5Very high185 Ų18533.3 Ų33.380%0.80417%0.169SC*.Hα-helixtrans-60.5-34.9174.4-173.5175.8-178.1175.40112.6A229 L230 A231 G235A229-K233 WeakPolarHBondContact O-CB 3.48Å; A229-K233 PolarHBondContact O-N 3.45Å; L230-K233 PolarHBondContact O-N 3.02Å; A231-K233 PolarHBondContact O-N 2.89Å; K233-G235 PolarHBondContact O-N 3.05Å
234K97.8Very high98.5Very high164 Ų16432.1 Ų32.171%0.71316%0.161SC*.THydrogen-bonded Turntrans-75.4-1.5171.3-67.9173.7-178.8175.10113.4L230 A231 R232L230-K234 WeakPolarHBondContact O-CG 3.44Å; L230-K234 PolarHBondContact O-N 3.48Å; A231-K234 CarbonylContact O-C 2.98Å; A231-K234 WeakPolarHBondContact O-CB 3.12Å; A231-K234 PolarHBondContact O-N 3.26Å; R232-K234 VanDerWaalsContact C-N 3.27Å; R232-K234 PolarHBondContact O-N 3.49Å
235G96.7Very high98.5Very high26 Ų2632.1 Ų32.127%0.26816%0.161SC..THydrogen-bonded Turntrans85.714.6-179.600000114.1A231 R232 K233 R449A231-G235 PolarHBondContact O-N 3.48Å; R232-G235 VanDerWaalsContact O-CA 3.3Å; R232-G235 WeakPolarHBondContact O-CA 3.48Å; R232-G235 PolarHBondContact O-N 3.29Å; K233-G235 PolarHBondContact O-N 3.05Å; G235-R449 PolarHBondContact O-NH1 2.84Å; G235-R449 PolarHBondContact O-NH2 3.26Å
236A97.6Very high98.5Very high6 Ų632.2 Ų32.25%0.0516%0.162CC..  trans-59.9147.6172.300000111.2N208 A231 V238N208-A236 WeakPolarHBondContact OD1-CB 3.4Å; A231-A236 HydrophobicContact CB-CB 4Å; A231-A236 VanDerWaalsContact O-CB 3.22Å; A231-A236 WeakPolarHBondContact O-CB 3.23Å; A231-A236 PolarHBondContact O-N 2.95Å; A236-V238 VanDerWaalsContact C-N 3.3Å; A236-V238 HydrophobicContact CB-CG1 4.12Å; A236-V238 PolarHBondContact O-N 2.95Å
237V98.3Very high98.5Very high4 Ų429 Ų292%0.02414%0.144CC..  trans-89.677.1169.8-174.20000107.8P213 L214 Y239 R445 I446P213-V237 HydrophobicContact CB-CG1 3.87Å; L214-V237 PolarHBondContact N-O 2.87Å; V237-Y239 HydrophobicContact CG1-CE2 3.98Å; V237-R445 HydrophobicContact CG2-CB 4.39Å; V237-I446 HydrophobicContact CB-CD1 3.88Å; V237-I446 HydrophobicContact CG1-CD1 4.22Å; V237-I446 HydrophobicContact CG2-CD1 3.61Å; V237-I446 HydrophobicContact CG2-CG1 4.39Å
238V98.7Very high98.5Very high1 Ų128.3 Ų28.31%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-123.4139.8177.4630000110.5V204 L214 I216 I228 A231 R232 A236V204-V238 HydrophobicContact CG2-CG2 4.16Å; L214-V238 HydrophobicContact CB-CB 4.36Å; L214-V238 HydrophobicContact CB-CG2 4.18Å; L214-V238 HydrophobicContact CD2-CG2 3.98Å; L214-V238 HydrophobicContact CG-CG2 4.11Å; L214-V238 CarbonylContact O-C 3.35Å; L214-V238 VanDerWaalsContact O-CA 3.28Å; L214-V238 WeakPolarHBondContact O-CA 3.41Å; I216-V238 HydrophobicContact CG1-CG2 4.03Å; I228-V238 HydrophobicContact CG2-CG1 4.32Å; A231-V238 HydrophobicContact CB-CG1 3.92Å; R232-V238 HydrophobicContact CG-CG1 3.51Å; R232-V238 PolarHBondContact NH1-O 3.25Å; A236-V238 VanDerWaalsContact C-N 3.3Å; A236-V238 HydrophobicContact CB-CG1 4.12Å; A236-V238 PolarHBondContact O-N 2.95Å
239Y98.9Very high98.5Very high5 Ų529 Ų292%0.0215%0.147CC..EExtended strand (participates in β ladder)trans-116.8147.9172.4-53.5-89.2000109.8I158 L214 Y215 I216 V237 Q291 I355 H441 V442I158-Y239 HydrophobicContact CD1-CD2 3.92Å; I158-Y239 HydrophobicContact CD1-CE2 4.15Å; L214-Y239 WeakPolarHBondContact O-CD2 3.33Å; L214-Y239 PolarHBondContact O-N 2.78Å; Y215-Y239 WeakPolarHBondContact CA-O 3.31Å; Y215-Y239 HydrophobicContact CD2-CG 4.43Å; I216-Y239 PolarHBondContact N-O 3.26Å; V237-Y239 HydrophobicContact CG1-CE2 3.98Å; Y239-Q291 HydrophobicContact CD1-CB 4.45Å; Y239-Q291 HydrophobicContact CD1-CG 4.13Å; Y239-I355 HydrophobicContact CD1-CD1 3.61Å; Y239-I355 HydrophobicContact CD1-CG1 4.13Å; Y239-I355 HydrophobicContact CE1-CD1 4Å; Y239-I355 HydrophobicContact CE1-CG1 4.03Å; Y239-I355 HydrophobicContact CG-CD1 4.03Å; Y239-H441 AromaticContact CE1-NE2 3.91Å; Y239-V442 HydrophobicContact CE2-CG1 4.36Å; Y239-V442 HydrophobicContact CE2-CG2 4.22Å
240G98.8Very high98.4Very high0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-124.6135.9176.800000111.6Q291G240-Q291 PolarHBondContact O-N 3.02Å
241E98.8Very high98.4Very high0 Ų025.1 Ų25.10%013%0.125CC..EExtended strand (participates in β ladder)trans-117.295.7179.9-179.9-162.89600111.1V36 H37 Y215 I216 K218 V219 V292V36-E241 HydrophobicContact CG2-CG 4.28Å; V36-E241 WeakPolarHBondContact CG2-OE2 3.29Å; H37-E241 IonicContact CE1-OE1 3.73Å; H37-E241 IonicContact CG-OE1 3.74Å; H37-E241 IonicContact ND1-OE1 2.97Å; H37-E241 PolarHBondContact ND1-OE1 3.44Å; Y215-E241 HydrophobicContact CE1-CB 3.58Å; Y215-E241 HydrophobicContact CE1-CG 4.23Å; Y215-E241 WeakPolarHBondContact CE1-OE2 3.44Å; Y215-E241 VanDerWaalsContact CZ-OE2 3.25Å; Y215-E241 WeakPolarHBondContact OH-CB 3.32Å; Y215-E241 WeakPolarHBondContact OH-CG 3.46Å; Y215-E241 PolarHBondContact OH-OE2 2.67Å; I216-E241 WeakPolarHBondContact O-CB 3.47Å; I216-E241 PolarHBondContact O-N 2.99Å; K218-E241 WeakPolarHBondContact CA-O 3.48Å; K218-E241 PolarHBondContact N-O 3.5Å; K218-E241 PolarHBondContact N-OE1 2.88Å; V219-E241 PolarHBondContact N-O 2.88Å; E241-V292 WeakPolarHBondContact CA-O 3.39Å
242P98.8Very high98.4Very high0 Ų027.8 Ų27.80%014%0.141CC..EExtended strand (participates in β ladder)trans-69.5157.4160.432.2-36.6000109.9L247 L285 L290 V292 T293 G294P242-L247 HydrophobicContact CB-CD1 4.21Å; P242-L247 HydrophobicContact CB-CD2 3.63Å; P242-L247 HydrophobicContact CB-CG 3.91Å; P242-L247 HydrophobicContact CG-CD1 4.16Å; P242-L247 HydrophobicContact CG-CD2 3.98Å; P242-L247 HydrophobicContact CG-CG 4.35Å; P242-L285 HydrophobicContact CG-CD1 4.09Å; P242-L290 HydrophobicContact CB-CD1 4.15Å; P242-L290 HydrophobicContact CG-CB 4.15Å; P242-L290 HydrophobicContact CG-CD1 3.85Å; P242-V292 WeakPolarHBondContact CD-O 3.37Å; P242-T293 WeakPolarHBondContact O-CA 3.41Å; P242-G294 PolarHBondContact O-N 2.89Å
243I98.8Very high98.4Very high0 Ų026.9 Ų26.90%014%0.139CC..BIsolated β-bridgetrans-118.5165-177.561.2165.6000111.6K218 M220 A245 S246 L247 G294 A296K218-I243 HydrophobicContact CG-CD1 4.34Å; K218-I243 HydrophobicContact CG-CG2 4.1Å; M220-I243 HydrophobicContact CE-CD1 4.18Å; M220-I243 HydrophobicContact SD-CD1 3.57Å; M220-I243 VanDerWaalsContact SD-CD1 3.57Å; M220-I243 HydrophobicContact SD-CG1 3.61Å; I243-A245 HydrophobicContact CD1-CB 3.94Å; I243-A245 HydrophobicContact CG1-CB 4.21Å; I243-A245 PolarHBondContact O-N 3Å; I243-A245 VanDerWaalsContact O-N 3.11Å; I243-S246 PolarHBondContact N-OG 3.29Å; I243-S246 VanDerWaalsContact N-OG 3.13Å; I243-S246 PolarHBondContact O-N 3.17Å; I243-S246 PolarHBondContact O-OG 2.84Å; I243-L247 WeakPolarHBondContact O-CG 3.47Å; I243-L247 PolarHBondContact O-N 2.96Å; I243-G294 CarbonylContact C-O 3.5Å; I243-G294 VanDerWaalsContact CA-O 3.23Å; I243-G294 WeakPolarHBondContact CA-O 3.27Å; I243-A296 HydrophobicContact CB-CB 4.37Å; I243-A296 HydrophobicContact CD1-CB 3.78Å; I243-A296 HydrophobicContact CG2-CB 3.88Å
244S98.7Very high98.4Very high1 Ų118.1 Ų18.11%0.00710%0.101CC..Hα-helixtrans-49.3-41.8179.3-58.80000112.2G248 G294 G321 R325 F398S244-G248 PolarHBondContact O-N 3.38Å; S244-G294 PolarHBondContact N-O 3.23Å; S244-G294 PolarHBondContact OG-O 2.98Å; S244-G321 PolarHBondContact OG-O 2.7Å; S244-R325 WeakPolarHBondContact OG-CA 3.36Å; S244-R325 VanDerWaalsContact OG-CB 3.25Å; S244-R325 WeakPolarHBondContact OG-CB 3.43Å; S244-R325 WeakPolarHBondContact OG-CG 3.45Å; S244-F398 WeakPolarHBondContact O-CE1 3.42Å; S244-F398 WeakPolarHBondContact O-CZ 3.11Å
245A98.7Very high98.4Very high0 Ų016 Ų160%09%0.089CC..Hα-helixtrans-61.6-52.4176.800000112.1I243 L247 G248 T249 L271 I397I243-A245 HydrophobicContact CD1-CB 3.94Å; I243-A245 HydrophobicContact CG1-CB 4.21Å; I243-A245 PolarHBondContact O-N 3Å; I243-A245 VanDerWaalsContact O-N 3.11Å; A245-L247 VanDerWaalsContact C-N 3.29Å; A245-L247 PolarHBondContact O-N 2.86Å; A245-G248 PolarHBondContact O-N 2.98Å; A245-T249 WeakPolarHBondContact O-CG2 3.46Å; A245-T249 PolarHBondContact O-N 2.94Å; A245-T249 VanDerWaalsContact O-O 3.07Å; A245-L271 HydrophobicContact CB-CD2 4Å; A245-L271 WeakPolarHBondContact O-CD2 3.33Å; A245-I397 HydrophobicContact CB-CD1 3.59Å
246S98.8Very high98.5Very high2 Ų216.4 Ų16.41%0.0149%0.087CC..Hα-helixtrans-71.6-20.5-177.1630000114.3V219 I243 P278V219-S246 PolarHBondContact O-OG 3.27Å; I243-S246 PolarHBondContact N-OG 3.29Å; I243-S246 VanDerWaalsContact N-OG 3.13Å; I243-S246 PolarHBondContact O-N 3.17Å; I243-S246 PolarHBondContact O-OG 2.84Å; S246-P278 VanDerWaalsContact O-CA 3.23Å; S246-P278 WeakPolarHBondContact O-CA 3.29Å; S246-P278 WeakPolarHBondContact O-CB 3.46Å
247L98.8Very high98.5Very high2 Ų226.2 Ų26.21%0.0113%0.129CC..Hα-helixtrans-89.1-26.1175.2-61.6178.6000113.5P242 I243 A245 L281 N282 L285 T293 V329P242-L247 HydrophobicContact CB-CD1 4.21Å; P242-L247 HydrophobicContact CB-CD2 3.63Å; P242-L247 HydrophobicContact CB-CG 3.91Å; P242-L247 HydrophobicContact CG-CD1 4.16Å; P242-L247 HydrophobicContact CG-CD2 3.98Å; P242-L247 HydrophobicContact CG-CG 4.35Å; I243-L247 WeakPolarHBondContact O-CG 3.47Å; I243-L247 PolarHBondContact O-N 2.96Å; A245-L247 VanDerWaalsContact C-N 3.29Å; A245-L247 PolarHBondContact O-N 2.86Å; L247-L281 HydrophobicContact CD2-CB 3.75Å; L247-N282 WeakPolarHBondContact CD2-OD1 3.34Å; L247-N282 PolarHBondContact O-ND2 3.07Å; L247-N282 VanDerWaalsContact O-ND2 3.14Å; L247-L285 HydrophobicContact CD1-CD2 3.94Å; L247-T293 HydrophobicContact CD1-CG2 3.75Å; L247-V329 HydrophobicContact CD1-CG2 4.01Å
248G98.2Very high98.5Very high15 Ų1529.7 Ų29.716%0.15515%0.147CC..Hα-helixtrans-105.2-24.2-170.700000115.5S244 A245S244-G248 PolarHBondContact O-N 3.38Å; A245-G248 PolarHBondContact O-N 2.98Å
249T98.6Very high98.5Very high15 Ų1532.9 Ų32.99%0.09216%0.159CC..  trans-150.6170.8-175.2-169.70000112.2A245 H253 F265 L271 P278 I397 F398A245-T249 WeakPolarHBondContact O-CG2 3.46Å; A245-T249 PolarHBondContact O-N 2.94Å; A245-T249 VanDerWaalsContact O-O 3.07Å; T249-H253 PolarHBondContact OG1-CD2 2.86Å; T249-H253 VanDerWaalsContact OG1-CD2 3.32Å; T249-H253 PolarHBondContact OG1-NE2 3.14Å; T249-F265 HydrophobicContact CG2-CD1 4.33Å; T249-F265 HydrophobicContact CG2-CE1 4Å; T249-L271 HydrophobicContact CG2-CD1 3.85Å; T249-L271 HydrophobicContact CG2-CD2 4.2Å; T249-P278 WeakPolarHBondContact O-CG 3.31Å; T249-I397 HydrophobicContact CG2-CD1 4.07Å; T249-F398 HydrophobicContact CG2-CD1 4.41Å; T249-F398 HydrophobicContact CG2-CE1 3.99Å
250D98.5Very high98.4Very high27 Ų2733.5 Ų33.514%0.14417%0.165CC..  trans-120.2176.9178.365.755.5000113.2T252 H253 P275 P278D250-T252 WeakPolarHBondContact OD1-CB 3.38Å; D250-T252 WeakPolarHBondContact OD1-CG2 3.48Å; D250-T252 PolarHBondContact OD1-N 3.5Å; D250-T252 PolarHBondContact OD1-OG1 2.84Å; D250-H253 PolarHBondContact O-CD2 3.33Å; D250-H253 VanDerWaalsContact O-CD2 3.3Å; D250-P275 WeakPolarHBondContact OD2-CA 3.49Å; D250-P275 WeakPolarHBondContact OD2-CB 3.38Å; D250-P278 HydrophobicContact CB-CG 4.33Å
251G98.2Very high98.4Very high0 Ų037.4 Ų37.40%018%0.182CC..G310 helixtrans-84.51.4-177.300000114.8H253 Y254 L271 S272G251-H253 PolarHBondContact O-N 3.37Å; G251-Y254 WeakPolarHBondContact O-CD2 3.22Å; G251-Y254 PolarHBondContact O-N 3.34Å; G251-Y254 VanDerWaalsContact O-N 3.1Å; G251-L271 WeakPolarHBondContact CA-O 3.3Å; G251-S272 WeakPolarHBondContact CA-O 3.33Å; G251-S272 PolarHBondContact N-O 2.92Å
252T98.4Very high98.4Very high64 Ų6437.4 Ų37.439%0.39318%0.182SC..G310 helixtrans-60.1-23177.364.40000111.9D250 Y254 W255D250-T252 WeakPolarHBondContact OD1-CB 3.38Å; D250-T252 WeakPolarHBondContact OD1-CG2 3.48Å; D250-T252 PolarHBondContact OD1-N 3.5Å; D250-T252 PolarHBondContact OD1-OG1 2.84Å; T252-Y254 VanDerWaalsContact C-N 3.26Å; T252-Y254 PolarHBondContact O-N 3.26Å; T252-W255 PolarHBondContact O-N 3.05Å
253H98.1Very high98.4Very high48 Ų4837.4 Ų37.422%0.22218%0.182CC..G310 helixtrans-64.2-21.7176.8-62.3-53.2000114.9T249 D250 G251 W255 S256 F265T249-H253 PolarHBondContact OG1-CD2 2.86Å; T249-H253 VanDerWaalsContact OG1-CD2 3.32Å; T249-H253 PolarHBondContact OG1-NE2 3.14Å; D250-H253 PolarHBondContact O-CD2 3.33Å; D250-H253 VanDerWaalsContact O-CD2 3.3Å; G251-H253 PolarHBondContact O-N 3.37Å; H253-W255 PolarHBondContact O-N 3.18Å; H253-S256 WeakPolarHBondContact O-CB 3.3Å; H253-S256 PolarHBondContact O-N 2.92Å; H253-F265 HydrophobicContact CB-CD1 3.81Å; H253-F265 HydrophobicContact CB-CD2 3.68Å; H253-F265 HydrophobicContact CB-CE1 3.85Å; H253-F265 HydrophobicContact CB-CE2 3.75Å; H253-F265 HydrophobicContact CB-CG 3.73Å; H253-F265 HydrophobicContact CB-CZ 3.83Å; H253-F265 AromaticContact CD2-CD1 3.73Å; H253-F265 AromaticContact CD2-CE1 3.11Å; H253-F265 WeakPolarHBondContact CD2-CE1 3.42Å; H253-F265 AromaticContact CD2-CZ 3.42Å; H253-F265 VanDerWaalsContact CD2-CZ 3.42Å; H253-F265 WeakPolarHBondContact CD2-CZ 3.24Å; H253-F265 AromaticContact CG-CE1 3.59Å; H253-F265 AromaticContact CG-CE2 3.92Å; H253-F265 AromaticContact CG-CZ 3.53Å; H253-F265 AromaticContact NE2-CE1 3.94Å
254Y98.5Very high98.4Very high0 Ų037.7 Ų37.70%018%0.184CC..G310 helixtrans-61.4-25.2175-65.4-58.9000112.8V188 G251 T252 S256 A262 F265 V266 P270 L271V188-Y254 HydrophobicContact CB-CD2 3.68Å; V188-Y254 HydrophobicContact CB-CE2 3.84Å; V188-Y254 HydrophobicContact CB-CG 4.36Å; V188-Y254 HydrophobicContact CG1-CD2 3.57Å; V188-Y254 HydrophobicContact CG1-CE2 4.26Å; V188-Y254 HydrophobicContact CG1-CG 3.94Å; V188-Y254 HydrophobicContact CG2-CD2 4.15Å; V188-Y254 HydrophobicContact CG2-CE2 4.17Å; G251-Y254 WeakPolarHBondContact O-CD2 3.22Å; G251-Y254 PolarHBondContact O-N 3.34Å; G251-Y254 VanDerWaalsContact O-N 3.1Å; T252-Y254 VanDerWaalsContact C-N 3.26Å; T252-Y254 PolarHBondContact O-N 3.26Å; Y254-S256 VanDerWaalsContact C-N 3.34Å; Y254-A262 WeakPolarHBondContact O-CB 3.46Å; Y254-F265 HydrophobicContact CD1-CB 4.27Å; Y254-F265 VanDerWaalsContact CE1-C 3.47Å; Y254-F265 HydrophobicContact CE1-CB 3.8Å; Y254-F265 VanDerWaalsContact CE1-O 3.26Å; Y254-F265 WeakPolarHBondContact CE1-O 3.37Å; Y254-F265 VanDerWaalsContact CZ-O 3.3Å; Y254-F265 PolarHBondContact OH-O 2.98Å; Y254-V266 HydrophobicContact CD1-CG2 4.43Å; Y254-V266 HydrophobicContact CE1-CG2 4.08Å; Y254-P270 HydrophobicContact CE2-CB 4.2Å; Y254-L271 HydrophobicContact CE2-CB 4.01Å; Y254-L271 WeakPolarHBondContact CE2-O 3.37Å; Y254-L271 PolarHBondContact OH-N 3.29Å; Y254-L271 VanDerWaalsContact OH-N 3.13Å
255W98.6Very high98.3Very high121 Ų12138 Ų3846%0.45819%0.185SC..G310 helixtrans-90.29.1177-76-93.2000114.2E185 V188 L189 T252 H253 K257 P273E185-W255 HydrophobicContact CB-CD2 4.23Å; E185-W255 HydrophobicContact CB-CG 4.48Å; E185-W255 HydrophobicContact CB-CZ2 4.26Å; V188-W255 HydrophobicContact CG1-CH2 3.54Å; V188-W255 HydrophobicContact CG1-CZ2 4.42Å; V188-W255 HydrophobicContact CG1-CZ3 3.76Å; L189-W255 HydrophobicContact CD1-CZ2 4.48Å; L189-W255 HydrophobicContact CD2-CZ2 4.18Å; L189-W255 HydrophobicContact CG-CZ2 4.25Å; T252-W255 PolarHBondContact O-N 3.05Å; H253-W255 PolarHBondContact O-N 3.18Å; W255-K257 PolarHBondContact O-N 2.86Å; W255-P273 HydrophobicContact CH2-CB 4.32Å; W255-P273 HydrophobicContact CZ3-CB 3.96Å
256S98.1Very high98.4Very high34 Ų3438 Ų3824%0.23819%0.185CC..  trans-55.9133.4174.6163.10000111.1H253 Y254 N258H253-S256 WeakPolarHBondContact O-CB 3.3Å; H253-S256 PolarHBondContact O-N 2.92Å; Y254-S256 VanDerWaalsContact C-N 3.34Å; S256-N258 PolarHBondContact O-N 3.44Å; S256-N258 PolarHBondContact OG-N 3.48Å; S256-N258 VanDerWaalsContact OG-N 3.12Å; S256-N258 PolarHBondContact OG-O 3.06Å
257K98.1Very high98.3Very high212 Ų21238.1 Ų38.192%0.92219%0.186SC*.SBendtrans-66.5-20.6174.3-60.4-56.6-178.9-1710113.2W255W255-K257 PolarHBondContact O-N 2.86Å
258N98.1Very high98.3Very high77 Ų7738 Ų3841%0.41219%0.186SC..SBendtrans-85110.8167.8177.9-15.9000108.7S256 A260 K261 A262 Y395S256-N258 PolarHBondContact O-N 3.44Å; S256-N258 PolarHBondContact OG-N 3.48Å; S256-N258 VanDerWaalsContact OG-N 3.12Å; S256-N258 PolarHBondContact OG-O 3.06Å; N258-A260 PolarHBondContact O-N 2.9Å; N258-A260 WeakPolarHBondContact OD1-CB 3.49Å; N258-A260 PolarHBondContact OD1-N 3.06Å; N258-K261 HydrophobicContact CB-CB 4.01Å; N258-K261 PolarHBondContact O-N 2.73Å; N258-K261 PolarHBondContact OD1-N 3.23Å; N258-A262 PolarHBondContact O-N 2.87Å; N258-Y395 PolarHBondContact ND2-OH 2.97Å
259W98.4Very high98.3Very high68 Ų6837.5 Ų37.526%0.25818%0.18SC..Hα-helixtrans-58.6-43.7-179.7-178.496.5000112.5K261 A262 A263 R305 A306 K309 I315W259-K261 VanDerWaalsContact C-N 3.3Å; W259-K261 PolarHBondContact O-N 2.91Å; W259-A262 PolarHBondContact O-N 3.03Å; W259-A262 VanDerWaalsContact O-N 3.16Å; W259-A263 HydrophobicContact CD2-CB 4.29Å; W259-A263 HydrophobicContact CE3-CB 4.11Å; W259-A263 HydrophobicContact CH2-CB 3.53Å; W259-A263 HydrophobicContact CZ2-CB 3.8Å; W259-A263 HydrophobicContact CZ3-CB 3.74Å; W259-A263 VanDerWaalsContact O-CB 3.31Å; W259-A263 WeakPolarHBondContact O-CB 3.24Å; W259-A263 PolarHBondContact O-N 2.91Å; W259-R305 HydrophobicContact CH2-CB 4.27Å; W259-R305 WeakPolarHBondContact CH2-O 3.32Å; W259-A306 HydrophobicContact CH2-CB 4.4Å; W259-A306 HydrophobicContact CZ3-CB 4.23Å; W259-K309 HydrophobicContact CH2-CB 4.43Å; W259-K309 VanDerWaalsContact CZ2-CA 3.43Å; W259-K309 HydrophobicContact CZ2-CB 4.07Å; W259-I315 HydrophobicContact CZ2-CD1 3.84Å; W259-I315 HydrophobicContact CZ2-CG1 4.17Å
260A97.9Very high98.3Very high17 Ų1737.3 Ų37.314%0.1418%0.179CC..Hα-helixtrans-62.9-40-179.600000111.4N258 A264 T302 Y395N258-A260 PolarHBondContact O-N 2.9Å; N258-A260 WeakPolarHBondContact OD1-CB 3.49Å; N258-A260 PolarHBondContact OD1-N 3.06Å; A260-A264 PolarHBondContact O-N 3.36Å; A260-A264 VanDerWaalsContact O-N 3.1Å; A260-T302 HydrophobicContact CB-CG2 3.67Å; A260-Y395 HydrophobicContact CB-CE2 4.05Å
261K97.8Very high98.3Very high82 Ų8236.1 Ų36.136%0.35717%0.173SC..Hα-helixtrans-62-50172.4-179.2177.4179.8175.70110.9N258 W259 A263 A264 F265 Y395N258-K261 HydrophobicContact CB-CB 4.01Å; N258-K261 PolarHBondContact O-N 2.73Å; N258-K261 PolarHBondContact OD1-N 3.23Å; W259-K261 VanDerWaalsContact C-N 3.3Å; W259-K261 PolarHBondContact O-N 2.91Å; K261-A263 VanDerWaalsContact C-N 3.35Å; K261-A263 PolarHBondContact O-N 3.38Å; K261-A264 WeakPolarHBondContact O-CB 3.36Å; K261-A264 PolarHBondContact O-N 3Å; K261-F265 HydrophobicContact CG-CE2 4.28Å; K261-F265 WeakPolarHBondContact O-CD2 3.27Å; K261-Y395 HydrophobicContact CB-CE1 4.07Å
262A98.6Very high98.3Very high1 Ų136.6 Ų36.61%0.00818%0.176CC..Hα-helixtrans-60.9-43.3-179.800000112.1P184 Y254 N258 W259 A264 F265P184-A262 HydrophobicContact CB-CB 3.88Å; P184-A262 HydrophobicContact CG-CB 3.8Å; Y254-A262 WeakPolarHBondContact O-CB 3.46Å; N258-A262 PolarHBondContact O-N 2.87Å; W259-A262 PolarHBondContact O-N 3.03Å; W259-A262 VanDerWaalsContact O-N 3.16Å; A262-A264 VanDerWaalsContact C-N 3.27Å; A262-A264 PolarHBondContact O-N 3.24Å; A262-F265 PolarHBondContact O-N 2.83Å
263A98.5Very high98.3Very high0 Ų036.4 Ų36.40%018%0.176CC..Hα-helixtrans-65.1-27.3178.900000113.3P184 W259 K261 F265 V266 R305 I315P184-A263 HydrophobicContact CG-CB 4.07Å; W259-A263 HydrophobicContact CD2-CB 4.29Å; W259-A263 HydrophobicContact CE3-CB 4.11Å; W259-A263 HydrophobicContact CH2-CB 3.53Å; W259-A263 HydrophobicContact CZ2-CB 3.8Å; W259-A263 HydrophobicContact CZ3-CB 3.74Å; W259-A263 VanDerWaalsContact O-CB 3.31Å; W259-A263 WeakPolarHBondContact O-CB 3.24Å; W259-A263 PolarHBondContact O-N 2.91Å; K261-A263 VanDerWaalsContact C-N 3.35Å; K261-A263 PolarHBondContact O-N 3.38Å; A263-F265 PolarHBondContact O-N 3.2Å; A263-V266 WeakPolarHBondContact O-CB 3.24Å; A263-V266 PolarHBondContact O-N 2.82Å; A263-R305 HydrophobicContact CB-CB 4.39Å; A263-R305 PolarHBondContact O-NH1 3.48Å; A263-I315 HydrophobicContact CB-CD1 4.28Å; A263-I315 HydrophobicContact CB-CG2 4.47Å
264A98.3Very high98.3Very high5 Ų536.8 Ų36.84%0.04118%0.179CC..Hα-helixtrans-65.2-21.917700000113.5A260 K261 A262 Y395 I397A260-A264 PolarHBondContact O-N 3.36Å; A260-A264 VanDerWaalsContact O-N 3.1Å; K261-A264 WeakPolarHBondContact O-CB 3.36Å; K261-A264 PolarHBondContact O-N 3Å; A262-A264 VanDerWaalsContact C-N 3.27Å; A262-A264 PolarHBondContact O-N 3.24Å; A264-Y395 HydrophobicContact CB-CG 4.15Å; A264-I397 WeakPolarHBondContact O-CG2 3.45Å
265F98.6Very high98.3Very high7 Ų740.8 Ų40.83%0.03121%0.205CC..THydrogen-bonded Turntrans-91.5-3.1177.8-70.4-103.2000112.8T249 H253 Y254 K261 A262 A263 T267 L271 I397T249-F265 HydrophobicContact CG2-CD1 4.33Å; T249-F265 HydrophobicContact CG2-CE1 4Å; H253-F265 HydrophobicContact CB-CD1 3.81Å; H253-F265 HydrophobicContact CB-CD2 3.68Å; H253-F265 HydrophobicContact CB-CE1 3.85Å; H253-F265 HydrophobicContact CB-CE2 3.75Å; H253-F265 HydrophobicContact CB-CG 3.73Å; H253-F265 HydrophobicContact CB-CZ 3.83Å; H253-F265 AromaticContact CD2-CD1 3.73Å; H253-F265 AromaticContact CD2-CE1 3.11Å; H253-F265 WeakPolarHBondContact CD2-CE1 3.42Å; H253-F265 AromaticContact CD2-CZ 3.42Å; H253-F265 VanDerWaalsContact CD2-CZ 3.42Å; H253-F265 WeakPolarHBondContact CD2-CZ 3.24Å; H253-F265 AromaticContact CG-CE1 3.59Å; H253-F265 AromaticContact CG-CE2 3.92Å; H253-F265 AromaticContact CG-CZ 3.53Å; H253-F265 AromaticContact NE2-CE1 3.94Å; Y254-F265 HydrophobicContact CD1-CB 4.27Å; Y254-F265 VanDerWaalsContact CE1-C 3.47Å; Y254-F265 HydrophobicContact CE1-CB 3.8Å; Y254-F265 VanDerWaalsContact CE1-O 3.26Å; Y254-F265 WeakPolarHBondContact CE1-O 3.37Å; Y254-F265 VanDerWaalsContact CZ-O 3.3Å; Y254-F265 PolarHBondContact OH-O 2.98Å; K261-F265 HydrophobicContact CG-CE2 4.28Å; K261-F265 WeakPolarHBondContact O-CD2 3.27Å; A262-F265 PolarHBondContact O-N 2.83Å; A263-F265 PolarHBondContact O-N 3.2Å; F265-T267 PolarHBondContact O-N 3.43Å; F265-L271 HydrophobicContact CB-CD1 4.31Å; F265-L271 HydrophobicContact CD1-CD1 3.68Å; F265-L271 HydrophobicContact CG-CD1 4.48Å; F265-I397 HydrophobicContact CD1-CB 4.05Å; F265-I397 HydrophobicContact CD1-CG2 4.13Å; F265-I397 HydrophobicContact CD2-CG2 4.35Å; F265-I397 HydrophobicContact CE1-CB 3.64Å; F265-I397 HydrophobicContact CE1-CG2 4.14Å; F265-I397 WeakPolarHBondContact CE1-O 3.44Å; F265-I397 HydrophobicContact CE2-CB 4.45Å; F265-I397 HydrophobicContact CE2-CG2 4.37Å; F265-I397 HydrophobicContact CG-CG2 4.24Å; F265-I397 HydrophobicContact CZ-CB 3.87Å; F265-I397 HydrophobicContact CZ-CG2 4.27Å; F265-I397 VanDerWaalsContact CZ-O 3.26Å; F265-I397 WeakPolarHBondContact CZ-O 3.34Å
266V98.8Very high98.3Very high0 Ų038.5 Ų38.50%021%0.205CC..  trans-67.7116.2-177.9174.30000110.2P184 Y254 A263 I315 E317 G318P184-V266 HydrophobicContact CB-CG2 3.96Å; Y254-V266 HydrophobicContact CD1-CG2 4.43Å; Y254-V266 HydrophobicContact CE1-CG2 4.08Å; A263-V266 WeakPolarHBondContact O-CB 3.24Å; A263-V266 PolarHBondContact O-N 2.82Å; V266-I315 HydrophobicContact CB-CG2 3.9Å; V266-I315 HydrophobicContact CG1-CB 4.18Å; V266-I315 HydrophobicContact CG1-CG2 3.9Å; V266-I315 HydrophobicContact CG2-CD1 4.17Å; V266-I315 HydrophobicContact CG2-CG2 4.14Å; V266-E317 HydrophobicContact CG1-CG 4.41Å; V266-G318 PolarHBondContact O-N 3.14Å
267T98.3Very high98.3Very high5 Ų537 Ų373%0.03119%0.194CC..  trans-154160.3178.8-175.80000109H187 M220 F265 P269 P270 T319H187-T267 PolarHBondContact NE2-O 3.2Å; M220-T267 HydrophobicContact CE-CG2 4.08Å; F265-T267 PolarHBondContact O-N 3.43Å; T267-P269 CarbonylContact C-O 3.6Å; T267-P269 CarbonylContact O-C 3.08Å; T267-P270 VanDerWaalsContact O-CA 3.25Å; T267-P270 WeakPolarHBondContact O-CA 3.47Å; T267-T319 HydrophobicContact CG2-CG2 4.19Å
268S97.6Very high98.4Very high1 Ų127.6 Ų27.61%0.00716%0.155CC..SBendtrans-127.4129178.4-57.10000111.5H162 E164 H187 R191 K218 E317H162-S268 PolarHBondContact CE1-O 3.21Å; E164-S268 WeakPolarHBondContact OE2-CB 3.22Å; H187-S268 PolarHBondContact CE1-OG 3Å; H187-S268 VanDerWaalsContact CE1-OG 3.25Å; H187-S268 PolarHBondContact NE2-OG 2.96Å; R191-S268 PolarHBondContact NH1-OG 3.31Å; K218-S268 VanDerWaalsContact CE-O 3.22Å; K218-S268 WeakPolarHBondContact CE-O 3.48Å; K218-S268 PolarHBondContact NZ-O 3Å; S268-E317 WeakPolarHBondContact CB-OE2 3.46Å; S268-E317 PolarHBondContact OG-OE1 2.73Å; S268-E317 PolarHBondContact OG-OE2 3.44Å
269P98.5Very high98.4Very high3 Ų328.1 Ų28.12%0.01916%0.158CC..SBendcis-60.1153.5-5.4-14.627.4000111.5E164 E196 M220 T267E164-P269 HydrophobicContact CG-CB 4.03Å; E164-P269 HydrophobicContact CG-CG 3.83Å; E164-P269 VanDerWaalsContact OE2-CA 3.26Å; E164-P269 WeakPolarHBondContact OE2-CA 3.49Å; E196-P269 HydrophobicContact CG-CB 4.35Å; E196-P269 HydrophobicContact CG-CG 4.07Å; M220-P269 HydrophobicContact CB-CB 4.04Å; M220-P269 HydrophobicContact CG-CB 3.75Å; M220-P269 HydrophobicContact CG-CG 4Å; M220-P269 WeakPolarHBondContact CG-O 3.42Å; T267-P269 CarbonylContact C-O 3.6Å; T267-P269 CarbonylContact O-C 3.08Å
270P98.5Very high98.4Very high12 Ų1228.4 Ų28.48%0.07816%0.159CC..PPolyproline II helixtrans-68.2157.5-178.629.7-35.9000111.6V188 R191 M220 Y254 T267 S272V188-P270 HydrophobicContact CB-CB 3.95Å; V188-P270 HydrophobicContact CB-CG 4.36Å; V188-P270 HydrophobicContact CG2-CB 3.95Å; V188-P270 HydrophobicContact CG2-CG 4.08Å; R191-P270 HydrophobicContact CB-CG 4.03Å; R191-P270 WeakPolarHBondContact O-CG 3.35Å; M220-P270 WeakPolarHBondContact CB-O 3.23Å; Y254-P270 HydrophobicContact CE2-CB 4.2Å; T267-P270 VanDerWaalsContact O-CA 3.25Å; T267-P270 WeakPolarHBondContact O-CA 3.47Å; P270-S272 PolarHBondContact O-N 3.27Å
271L98.7Very high98.5Very high2 Ų227.6 Ų27.61%0.0115%0.153CC..PPolyproline II helixtrans-61.8132.3167.1-75.1160.8000109.8M220 A245 T249 G251 Y254 F265M220-L271 HydrophobicContact CE-CB 4.45Å; M220-L271 HydrophobicContact CE-CD2 3.54Å; M220-L271 HydrophobicContact CE-CG 3.75Å; A245-L271 HydrophobicContact CB-CD2 4Å; A245-L271 WeakPolarHBondContact O-CD2 3.33Å; T249-L271 HydrophobicContact CG2-CD1 3.85Å; T249-L271 HydrophobicContact CG2-CD2 4.2Å; G251-L271 WeakPolarHBondContact CA-O 3.3Å; Y254-L271 HydrophobicContact CE2-CB 4.01Å; Y254-L271 WeakPolarHBondContact CE2-O 3.37Å; Y254-L271 PolarHBondContact OH-N 3.29Å; Y254-L271 VanDerWaalsContact OH-N 3.13Å; F265-L271 HydrophobicContact CB-CD1 4.31Å; F265-L271 HydrophobicContact CD1-CD1 3.68Å; F265-L271 HydrophobicContact CG-CD1 4.48Å
272S98.2Very high98.5Very high9 Ų923.9 Ų23.96%0.06314%0.137CC..PPolyproline II helixtrans-63.8131.2178176.10000110.5G251 P270 D274 T277G251-S272 WeakPolarHBondContact CA-O 3.33Å; G251-S272 PolarHBondContact N-O 2.92Å; P270-S272 PolarHBondContact O-N 3.27Å; S272-D274 PolarHBondContact O-N 3.3Å; S272-D274 PolarHBondContact OG-N 3.12Å; S272-T277 WeakPolarHBondContact CB-OG1 3.23Å; S272-T277 PolarHBondContact OG-OG1 2.94Å; S272-T277 VanDerWaalsContact OG-OG1 3.08Å
273P97.9Very high98.5Very high61 Ų6125.9 Ų25.940%0.39615%0.151SC..SBendtrans-71.3-8.4175.730.8-35.1000113.1V188 W255 P275V188-P273 HydrophobicContact CG2-CG 4.48Å; W255-P273 HydrophobicContact CH2-CB 4.32Å; W255-P273 HydrophobicContact CZ3-CB 3.96Å; P273-P275 WeakPolarHBondContact O-CD 3.5Å
274D98.4Very high98.5Very high56 Ų5626.5 Ų26.530%0.29915%0.154SC..  trans-74.4112.8170.2179-7.9000109.6K222 S272 T276 T277K222-D274 WeakPolarHBondContact CE-OD2 3.48Å; K222-D274 IonicContact NZ-OD1 2.88Å; K222-D274 IonicContact NZ-OD2 2.66Å; K222-D274 PolarHBondContact NZ-OD2 3.14Å; S272-D274 PolarHBondContact O-N 3.3Å; S272-D274 PolarHBondContact OG-N 3.12Å; D274-T276 VanDerWaalsContact CG-OG1 3.27Å; D274-T276 PolarHBondContact O-N 3.28Å; D274-T276 WeakPolarHBondContact OD1-CB 3.38Å; D274-T276 PolarHBondContact OD1-N 3.33Å; D274-T276 PolarHBondContact OD1-OG1 3.46Å; D274-T276 PolarHBondContact OD2-OG1 2.82Å; D274-T277 WeakPolarHBondContact O-CB 3.22Å; D274-T277 PolarHBondContact O-N 3.09Å; D274-T277 PolarHBondContact O-OG1 3.33Å
275P98.3Very high98.5Very high83 Ų8326.4 Ų26.454%0.53915%0.152SC..THydrogen-bonded Turntrans-67.6-10.1-176.130.2-37000113.5D250 P273D250-P275 WeakPolarHBondContact OD2-CA 3.49Å; D250-P275 WeakPolarHBondContact OD2-CB 3.38Å; P273-P275 WeakPolarHBondContact O-CD 3.5Å
276T98.6Very high98.5Very high74 Ų7426.5 Ų26.545%0.45415%0.154SC..THydrogen-bonded Turntrans-91.1-4.1176.665.70000112.9K222 D274 Y280K222-T276 PolarHBondContact NZ-OG1 2.8Å; D274-T276 VanDerWaalsContact CG-OG1 3.27Å; D274-T276 PolarHBondContact O-N 3.28Å; D274-T276 WeakPolarHBondContact OD1-CB 3.38Å; D274-T276 PolarHBondContact OD1-N 3.33Å; D274-T276 PolarHBondContact OD1-OG1 3.46Å; D274-T276 PolarHBondContact OD2-OG1 2.82Å; T276-Y280 PolarHBondContact O-N 3.43Å; T276-Y280 VanDerWaalsContact O-N 3.15Å
277T98.9Very high98.5Very high3 Ų330.5 Ų30.52%0.01818%0.181CC..Hα-helixtrans-60.4-47.2177.6-64.80000113.3M220 K222 S272 D274 D279 Y280 L281M220-T277 WeakPolarHBondContact O-CG2 3.26Å; K222-T277 HydrophobicContact CG-CG2 4.16Å; S272-T277 WeakPolarHBondContact CB-OG1 3.23Å; S272-T277 PolarHBondContact OG-OG1 2.94Å; S272-T277 VanDerWaalsContact OG-OG1 3.08Å; D274-T277 WeakPolarHBondContact O-CB 3.22Å; D274-T277 PolarHBondContact O-N 3.09Å; D274-T277 PolarHBondContact O-OG1 3.33Å; T277-D279 PolarHBondContact O-N 3.4Å; T277-Y280 WeakPolarHBondContact O-CB 3.41Å; T277-Y280 PolarHBondContact O-N 2.9Å; T277-Y280 VanDerWaalsContact O-N 3.14Å; T277-L281 HydrophobicContact CG2-CD1 3.94Å; T277-L281 HydrophobicContact CG2-CG 4.14Å; T277-L281 WeakPolarHBondContact O-CG 3.06Å; T277-L281 PolarHBondContact O-N 3.37Å
278P98.8Very high98.4Very high14 Ų1431.6 Ų31.69%0.09119%0.193CC..Hα-helixtrans-59.8-45.1-179.8-26.337.2000112.8S246 T249 D250 Y280 L281 N282S246-P278 VanDerWaalsContact O-CA 3.23Å; S246-P278 WeakPolarHBondContact O-CA 3.29Å; S246-P278 WeakPolarHBondContact O-CB 3.46Å; T249-P278 WeakPolarHBondContact O-CG 3.31Å; D250-P278 HydrophobicContact CB-CG 4.33Å; P278-Y280 VanDerWaalsContact C-N 3.29Å; P278-Y280 PolarHBondContact O-N 2.98Å; P278-L281 PolarHBondContact O-N 3.44Å; P278-N282 WeakPolarHBondContact O-CB 3.48Å; P278-N282 PolarHBondContact O-N 3.1Å; P278-N282 PolarHBondContact O-ND2 2.94Å
279D98.8Very high98.5Very high88 Ų8834 Ų3447%0.47121%0.206SC..Hα-helixtrans-61-38.6177.5-170.870.8000112.5T277 N282 S283 K338T277-D279 PolarHBondContact O-N 3.4Å; D279-N282 PolarHBondContact O-N 3.11Å; D279-S283 PolarHBondContact O-N 3.13Å; D279-S283 VanDerWaalsContact O-N 3.08Å; D279-S283 PolarHBondContact O-OG 2.99Å; D279-S283 VanDerWaalsContact O-OG 3.09Å; D279-K338 PolarHBondContact O-NZ 3Å; D279-K338 WeakPolarHBondContact OD1-CE 3.5Å; D279-K338 IonicContact OD1-NZ 2.78Å; D279-K338 PolarHBondContact OD1-NZ 3.43Å; D279-K338 IonicContact OD2-NZ 3.32Å; D279-K338 PolarHBondContact OD2-NZ 3.45Å
280Y98.9Very high98.5Very high74 Ų7434 Ų3429%0.2921%0.206SC..Hα-helixtrans-64.6-49.5175.6-170.4-102.7000112K222 D226 T276 T277 P278 N282 S283 L284K222-Y280 HydrophobicContact CB-CD1 3.68Å; K222-Y280 HydrophobicContact CB-CE1 3.83Å; K222-Y280 HydrophobicContact CB-CG 4.46Å; K222-Y280 HydrophobicContact CD-CD1 4.05Å; K222-Y280 HydrophobicContact CD-CG 4.02Å; K222-Y280 HydrophobicContact CG-CD1 3.52Å; K222-Y280 HydrophobicContact CG-CE1 4.18Å; K222-Y280 HydrophobicContact CG-CG 3.91Å; D226-Y280 WeakPolarHBondContact OD1-CE1 3.5Å; D226-Y280 PolarHBondContact OD1-OH 3.07Å; T276-Y280 PolarHBondContact O-N 3.43Å; T276-Y280 VanDerWaalsContact O-N 3.15Å; T277-Y280 WeakPolarHBondContact O-CB 3.41Å; T277-Y280 PolarHBondContact O-N 2.9Å; T277-Y280 VanDerWaalsContact O-N 3.14Å; P278-Y280 VanDerWaalsContact C-N 3.29Å; P278-Y280 PolarHBondContact O-N 2.98Å; Y280-N282 VanDerWaalsContact C-N 3.29Å; Y280-N282 PolarHBondContact O-N 3.02Å; Y280-S283 WeakPolarHBondContact O-CA 3.44Å; Y280-S283 VanDerWaalsContact O-CB 3.32Å; Y280-S283 WeakPolarHBondContact O-CB 3.44Å; Y280-S283 PolarHBondContact O-N 3.13Å; Y280-L284 HydrophobicContact CD1-CD1 3.93Å; Y280-L284 HydrophobicContact CD1-CD2 4.29Å; Y280-L284 HydrophobicContact CD2-CD1 4.29Å; Y280-L284 HydrophobicContact CE1-CD1 3.59Å; Y280-L284 HydrophobicContact CE1-CD2 3.69Å; Y280-L284 HydrophobicContact CE1-CG 4.32Å; Y280-L284 HydrophobicContact CE2-CD1 3.95Å; Y280-L284 HydrophobicContact CG-CD1 4.28Å; Y280-L284 WeakPolarHBondContact O-CD1 3.47Å; Y280-L284 PolarHBondContact O-N 3.21Å
281L98.9Very high98.5Very high0 Ų034 Ų340%021%0.205CC..Hα-helixtrans-61.7-38.1177.6-64.1-178.9000111.7V219 A225 L247 T277 P278 S283 L284 L285 L290V219-L281 HydrophobicContact CG1-CD2 4.25Å; A225-L281 HydrophobicContact CB-CD2 3.6Å; L247-L281 HydrophobicContact CD2-CB 3.75Å; T277-L281 HydrophobicContact CG2-CD1 3.94Å; T277-L281 HydrophobicContact CG2-CG 4.14Å; T277-L281 WeakPolarHBondContact O-CG 3.06Å; T277-L281 PolarHBondContact O-N 3.37Å; P278-L281 PolarHBondContact O-N 3.44Å; L281-S283 VanDerWaalsContact C-N 3.31Å; L281-S283 PolarHBondContact O-N 3.14Å; L281-L284 PolarHBondContact O-N 2.88Å; L281-L285 WeakPolarHBondContact O-CB 3.27Å; L281-L285 PolarHBondContact O-N 3Å; L281-L290 HydrophobicContact CB-CD1 4.49Å; L281-L290 HydrophobicContact CD2-CD1 4.05Å
282N98.8Very high98.5Very high4 Ų433.9 Ų33.92%0.02120%0.204CC..Hα-helixtrans-59.5-39.5172.2-74-43.4000111.9L247 P278 D279 Y280 S286 C333 K338L247-N282 WeakPolarHBondContact CD2-OD1 3.34Å; L247-N282 PolarHBondContact O-ND2 3.07Å; L247-N282 VanDerWaalsContact O-ND2 3.14Å; P278-N282 WeakPolarHBondContact O-CB 3.48Å; P278-N282 PolarHBondContact O-N 3.1Å; P278-N282 PolarHBondContact O-ND2 2.94Å; D279-N282 PolarHBondContact O-N 3.11Å; Y280-N282 VanDerWaalsContact C-N 3.29Å; Y280-N282 PolarHBondContact O-N 3.02Å; N282-S286 WeakPolarHBondContact O-CB 3.32Å; N282-S286 PolarHBondContact O-N 3.41Å; N282-S286 PolarHBondContact O-OG 3.38Å; N282-C333 PolarHBondContact OD1-SG 3.48Å; N282-K338 HydrophobicContact CB-CD 4.19Å
283S98.8Very high98.5Very high43 Ų4333.5 Ų33.530%0.30120%0.201SC..Hα-helixtrans-65.2-44.1174.5-56.60000112.1D279 Y280 L281 L285 S286 C287 K338D279-S283 PolarHBondContact O-N 3.13Å; D279-S283 VanDerWaalsContact O-N 3.08Å; D279-S283 PolarHBondContact O-OG 2.99Å; D279-S283 VanDerWaalsContact O-OG 3.09Å; Y280-S283 WeakPolarHBondContact O-CA 3.44Å; Y280-S283 VanDerWaalsContact O-CB 3.32Å; Y280-S283 WeakPolarHBondContact O-CB 3.44Å; Y280-S283 PolarHBondContact O-N 3.13Å; L281-S283 VanDerWaalsContact C-N 3.31Å; L281-S283 PolarHBondContact O-N 3.14Å; S283-L285 VanDerWaalsContact C-N 3.34Å; S283-S286 PolarHBondContact O-N 2.93Å; S283-C287 PolarHBondContact O-N 3.42Å; S283-C287 PolarHBondContact O-SG 3.45Å; S283-K338 PolarHBondContact OG-NZ 2.9Å
284L98.8Very high98.5Very high12 Ų1230.6 Ų30.66%0.06318%0.183CC..Hα-helixtrans-69.7-31.7-179.9-88.865.1000112.5A225 Y280 L281 C287 G288 D289 L290A225-L284 HydrophobicContact CB-CD2 3.42Å; A225-L284 VanDerWaalsContact CB-CD2 3.42Å; Y280-L284 HydrophobicContact CD1-CD1 3.93Å; Y280-L284 HydrophobicContact CD1-CD2 4.29Å; Y280-L284 HydrophobicContact CD2-CD1 4.29Å; Y280-L284 HydrophobicContact CE1-CD1 3.59Å; Y280-L284 HydrophobicContact CE1-CD2 3.69Å; Y280-L284 HydrophobicContact CE1-CG 4.32Å; Y280-L284 HydrophobicContact CE2-CD1 3.95Å; Y280-L284 HydrophobicContact CG-CD1 4.28Å; Y280-L284 WeakPolarHBondContact O-CD1 3.47Å; Y280-L284 PolarHBondContact O-N 3.21Å; L281-L284 PolarHBondContact O-N 2.88Å; L284-C287 VanDerWaalsContact CA-SG 3.6Å; L284-C287 PolarHBondContact O-SG 3.34Å; L284-C287 VanDerWaalsContact O-SG 3.38Å; L284-G288 PolarHBondContact O-N 2.78Å; L284-D289 HydrophobicContact CB-CB 4.23Å; L284-D289 HydrophobicContact CG-CB 4.2Å; L284-D289 PolarHBondContact O-N 2.87Å; L284-L290 HydrophobicContact CB-CD1 3.96Å; L284-L290 HydrophobicContact CB-CG 4.08Å; L284-L290 PolarHBondContact O-N 2.92Å
285L98.7Very high98.5Very high3 Ų327.9 Ų27.92%0.01617%0.168CC..Hα-helixtrans-64.7-44.3169-174.465.7000111.1P242 L247 L281 S283 G288 L290 T293 V329 M339 V347P242-L285 HydrophobicContact CG-CD1 4.09Å; L247-L285 HydrophobicContact CD1-CD2 3.94Å; L281-L285 WeakPolarHBondContact O-CB 3.27Å; L281-L285 PolarHBondContact O-N 3Å; S283-L285 VanDerWaalsContact C-N 3.34Å; L285-G288 PolarHBondContact O-N 2.59Å; L285-L290 HydrophobicContact CB-CB 4.41Å; L285-L290 HydrophobicContact CD1-CB 4.13Å; L285-T293 HydrophobicContact CD1-CG2 4.04Å; L285-T293 HydrophobicContact CD2-CG2 3.47Å; L285-T293 VanDerWaalsContact CD2-CG2 3.47Å; L285-T293 HydrophobicContact CG-CG2 4.39Å; L285-V329 HydrophobicContact CD2-CG1 4.39Å; L285-M339 HydrophobicContact CD2-CE 4.19Å; L285-M339 HydrophobicContact CG-CE 4.23Å; L285-V347 HydrophobicContact CD1-CB 3.89Å; L285-V347 HydrophobicContact CD1-CG1 3.74Å; L285-V347 HydrophobicContact CD1-CG2 4.47Å; L285-V347 HydrophobicContact CD2-CB 4.48Å; L285-V347 HydrophobicContact CD2-CG2 4.17Å; L285-V347 HydrophobicContact CG-CB 4.25Å; L285-V347 HydrophobicContact CG-CG1 4.02Å; L285-V347 HydrophobicContact CG-CG2 4.34Å
286S98.3Very high98.5Very high10 Ų1024.2 Ų24.27%0.0715%0.145CC..Hα-helixtrans-68.7-35.5-177.5-57.40000113.1N282 S283 G288 K338 Q343N282-S286 WeakPolarHBondContact O-CB 3.32Å; N282-S286 PolarHBondContact O-N 3.41Å; N282-S286 PolarHBondContact O-OG 3.38Å; S283-S286 PolarHBondContact O-N 2.93Å; S286-G288 VanDerWaalsContact C-N 3.34Å; S286-K338 VanDerWaalsContact CB-O 3.3Å; S286-K338 WeakPolarHBondContact CB-O 3.25Å; S286-K338 WeakPolarHBondContact OG-CB 3.22Å; S286-Q343 PolarHBondContact O-NE2 3.1Å
287C97.4Very high98.5Very high84 Ų8420.7 Ų20.757%0.56812%0.123SC*.THydrogen-bonded Turntrans-83.7-5.8175.672.10000114S283 L284 D289S283-C287 PolarHBondContact O-N 3.42Å; S283-C287 PolarHBondContact O-SG 3.45Å; L284-C287 VanDerWaalsContact CA-SG 3.6Å; L284-C287 PolarHBondContact O-SG 3.34Å; L284-C287 VanDerWaalsContact O-SG 3.38Å; C287-D289 PolarHBondContact SG-OD2 3.18Å; C287-D289 VanDerWaalsContact SG-OD2 3.33Å
288G97.8Very high98.5Very high28 Ų2820.8 Ų20.829%0.28912%0.124SC..THydrogen-bonded Turntrans8512.8177.100000115.6R232 L284 L285 S286 L290 Q291R232-G288 PolarHBondContact NH2-O 3.21Å; R232-G288 VanDerWaalsContact NH2-O 3.14Å; L284-G288 PolarHBondContact O-N 2.78Å; L285-G288 PolarHBondContact O-N 2.59Å; S286-G288 VanDerWaalsContact C-N 3.34Å; G288-L290 VanDerWaalsContact C-N 3.32Å; G288-L290 CarbonylContact C-O 3.53Å; G288-Q291 PolarHBondContact O-NE2 2.5Å
289D98.5Very high98.5Very high52 Ų5220.2 Ų20.228%0.27812%0.12SC..SBendtrans-72.5-28.7169.2-77.1-30.8000111.9A229 R232 L284 C287 Q291A229-D289 HydrophobicContact CB-CB 3.94Å; R232-D289 WeakPolarHBondContact CD-O 3.46Å; L284-D289 HydrophobicContact CB-CB 4.23Å; L284-D289 HydrophobicContact CG-CB 4.2Å; L284-D289 PolarHBondContact O-N 2.87Å; C287-D289 PolarHBondContact SG-OD2 3.18Å; C287-D289 VanDerWaalsContact SG-OD2 3.33Å; D289-Q291 PolarHBondContact O-NE2 2.77Å
290L98.8Very high98.4Very high1 Ų116.2 Ų16.21%0.00510%0.098CC..SBendtrans-111.2148.3161-57.8172.5000108.9V219 A225 I228 P242 L281 L284 L285 G288V219-L290 HydrophobicContact CB-CD2 4.5Å; V219-L290 HydrophobicContact CG1-CD2 4.25Å; V219-L290 HydrophobicContact CG2-CD2 4.22Å; A225-L290 HydrophobicContact CB-CD1 4.35Å; I228-L290 HydrophobicContact CD1-CD2 4.1Å; I228-L290 HydrophobicContact CG2-CD2 4.46Å; P242-L290 HydrophobicContact CB-CD1 4.15Å; P242-L290 HydrophobicContact CG-CB 4.15Å; P242-L290 HydrophobicContact CG-CD1 3.85Å; L281-L290 HydrophobicContact CB-CD1 4.49Å; L281-L290 HydrophobicContact CD2-CD1 4.05Å; L284-L290 HydrophobicContact CB-CD1 3.96Å; L284-L290 HydrophobicContact CB-CG 4.08Å; L284-L290 PolarHBondContact O-N 2.92Å; L285-L290 HydrophobicContact CB-CB 4.41Å; L285-L290 HydrophobicContact CD1-CB 4.13Å; G288-L290 VanDerWaalsContact C-N 3.32Å; G288-L290 CarbonylContact C-O 3.53Å
291Q98.4Very high98.4Very high13 Ų1315.1 Ų15.16%0.06110%0.096CC..  trans-122.3-27.7-164-63.276.740.700115.5R232 Y239 G240 G288 D289 N351R232-Q291 VanDerWaalsContact NE-NE2 3.1Å; Y239-Q291 HydrophobicContact CD1-CB 4.45Å; Y239-Q291 HydrophobicContact CD1-CG 4.13Å; G240-Q291 PolarHBondContact O-N 3.02Å; G288-Q291 PolarHBondContact O-NE2 2.5Å; D289-Q291 PolarHBondContact O-NE2 2.77Å; Q291-N351 WeakPolarHBondContact O-CB 3.41Å; Q291-N351 PolarHBondContact O-ND2 2.94Å
292V97.9Very high98.3Very high0 Ų016.9 Ų16.90%011%0.107CC..  trans-141140.6-170.7-1750000108.9V36 E241 P242 N351 A352 I355V36-V292 HydrophobicContact CB-CG1 4.37Å; V36-V292 HydrophobicContact CG1-CG1 3.91Å; V36-V292 HydrophobicContact CG2-CG1 3.55Å; E241-V292 WeakPolarHBondContact CA-O 3.39Å; P242-V292 WeakPolarHBondContact CD-O 3.37Å; V292-N351 HydrophobicContact CG2-CB 3.82Å; V292-A352 HydrophobicContact CG1-CB 3.91Å; V292-I355 HydrophobicContact CG2-CD1 3.55Å
293T98.4Very high98.3Very high0 Ų021 Ų210%014%0.136CC..  trans-102.8126.817359.70000110.7P242 L247 L285 R325 V329 V347P242-T293 WeakPolarHBondContact O-CA 3.41Å; L247-T293 HydrophobicContact CD1-CG2 3.75Å; L285-T293 HydrophobicContact CD1-CG2 4.04Å; L285-T293 HydrophobicContact CD2-CG2 3.47Å; L285-T293 VanDerWaalsContact CD2-CG2 3.47Å; L285-T293 HydrophobicContact CG-CG2 4.39Å; T293-R325 PolarHBondContact O-NH1 3.26Å; T293-R325 PolarHBondContact OG1-NH1 3.13Å; T293-V329 HydrophobicContact CG2-CG2 3.9Å; T293-V347 HydrophobicContact CG2-CB 4.42Å; T293-V347 HydrophobicContact CG2-CG2 4.33Å; T293-V347 PolarHBondContact N-O 3.18Å; T293-V347 PolarHBondContact OG1-O 3.13Å
294G98.6Very high98.2Very high0 Ų020.5 Ų20.50%013%0.129CC..BIsolated β-bridgetrans-103.2176.3164.500000111.8D35 P242 I243 S244D35-G294 WeakPolarHBondContact OD1-CA 3.03Å; P242-G294 PolarHBondContact O-N 2.89Å; I243-G294 CarbonylContact C-O 3.5Å; I243-G294 VanDerWaalsContact CA-O 3.23Å; I243-G294 WeakPolarHBondContact CA-O 3.27Å; S244-G294 PolarHBondContact N-O 3.23Å; S244-G294 PolarHBondContact OG-O 2.98Å
295S98.6Very high98.2Very high0 Ų020.6 Ų20.60%013%0.128CC..  trans-98.7-27.5164.762.30000112.9D35 H37 H297D35-S295 VanDerWaalsContact CG-OG 3.25Å; D35-S295 PolarHBondContact OD1-N 3.4Å; D35-S295 PolarHBondContact OD1-OG 2.64Å; D35-S295 WeakPolarHBondContact OD2-CB 3.47Å; D35-S295 PolarHBondContact OD2-OG 2.74Å; H37-S295 PolarHBondContact O-OG 3.19Å; S295-H297 PolarHBondContact O-N 3.48Å; S295-H297 VanDerWaalsContact OG-CB 3.26Å; S295-H297 WeakPolarHBondContact OG-CB 3.37Å; S295-H297 PolarHBondContact OG-N 3.11Å; S295-H297 VanDerWaalsContact OG-N 3.14Å
296A98.3Very high98.2Very high5 Ų522.1 Ų22.14%0.04114%0.141CC..  trans48.938-162.500000112H37 K218 I243 C298H37-A296 WeakPolarHBondContact O-CA 3.45Å; H37-A296 PolarHBondContact O-N 3.45Å; K218-A296 HydrophobicContact CD-CB 3.84Å; K218-A296 HydrophobicContact CG-CB 3.84Å; I243-A296 HydrophobicContact CB-CB 4.37Å; I243-A296 HydrophobicContact CD1-CB 3.78Å; I243-A296 HydrophobicContact CG2-CB 3.88Å; A296-C298 PolarHBondContact O-N 2.84Å; A296-C298 VanDerWaalsContact O-N 3.14Å
297H98.8Very high98.2Very high1 Ų125.7 Ų25.71%0.00516%0.162CC..BIsolated β-bridgetrans-62.6117.3-174.5-16794.2000110.9H37 T38 R39 F40 D51 S295 T299 T319 N320 G321 T322H37-H297 PolarHBondContact O-N 2.81Å; T38-H297 HydrophobicContact CG2-CB 4.46Å; R39-H297 PolarHBondContact N-O 2.9Å; F40-H297 AromaticContact CD1-CD2 3.94Å; F40-H297 HydrophobicContact CE1-CB 4.3Å; F40-H297 AromaticContact CE1-CD2 3.43Å; F40-H297 VanDerWaalsContact CE1-CD2 3.43Å; F40-H297 WeakPolarHBondContact CE1-CD2 3.37Å; D51-H297 IonicContact OD2-CE1 2.72Å; D51-H297 IonicContact OD2-NE2 3.61Å; D51-H297 PolarHBondContact OD2-NE2 2.76Å; D51-H297 VanDerWaalsContact OD2-NE2 3.13Å; S295-H297 PolarHBondContact O-N 3.48Å; S295-H297 VanDerWaalsContact OG-CB 3.26Å; S295-H297 WeakPolarHBondContact OG-CB 3.37Å; S295-H297 PolarHBondContact OG-N 3.11Å; S295-H297 VanDerWaalsContact OG-N 3.14Å; H297-T299 VanDerWaalsContact NE2-CG2 3.31Å; H297-T299 WeakPolarHBondContact NE2-CG2 3.36Å; H297-T319 WeakPolarHBondContact CA-O 3.37Å; H297-N320 WeakPolarHBondContact ND1-CA 3.25Å; H297-G321 PolarHBondContact ND1-N 3.42Å; H297-G321 VanDerWaalsContact ND1-N 3.12Å; H297-T322 PolarHBondContact ND1-N 2.82Å
298C98.3Very high98.2Very high4 Ų421.7 Ų21.73%0.02714%0.135CC..  trans-154.497.4178.5-171.70000107.2R39 A296 F300 G318 T319R39-C298 HydrophobicContact CB-CB 3.98Å; A296-C298 PolarHBondContact O-N 2.84Å; A296-C298 VanDerWaalsContact O-N 3.14Å; C298-F300 VanDerWaalsContact SG-CE2 3.6Å; C298-G318 CarbonylContact O-C 3.41Å; C298-G318 WeakPolarHBondContact O-CA 3.48Å; C298-T319 PolarHBondContact N-O 3.31Å; C298-T319 PolarHBondContact O-N 2.82Å
299T98.1Very high98.2Very high2 Ų225.9 Ų25.91%0.01215%0.146CC..  trans-103.8144.7-167.950.60000111.5A49 A50 D51 H297 N320 V393A49-T299 CarbonylContact C-O 3.2Å; A49-T299 VanDerWaalsContact CA-O 3.25Å; A49-T299 WeakPolarHBondContact CA-O 3.47Å; A50-T299 PolarHBondContact N-O 2.94Å; D51-T299 WeakPolarHBondContact CB-OG1 3.42Å; D51-T299 VanDerWaalsContact CG-OG1 3.29Å; D51-T299 PolarHBondContact N-OG1 3.34Å; D51-T299 WeakPolarHBondContact OD2-CB 3.46Å; D51-T299 WeakPolarHBondContact OD2-CG2 3.26Å; D51-T299 PolarHBondContact OD2-OG1 2.68Å; H297-T299 VanDerWaalsContact NE2-CG2 3.31Å; H297-T299 WeakPolarHBondContact NE2-CG2 3.36Å; T299-N320 HydrophobicContact CG2-CB 3.79Å; T299-V393 HydrophobicContact CG2-CG1 4.48Å; T299-V393 HydrophobicContact CG2-CG2 4.1Å
300F98.4Very high98.2Very high4 Ų428.9 Ų28.92%0.01816%0.162CC..  trans-136.2135.3176.1-65.5-83.1000108.5M42 D44 C298 Q304 R305 P316M42-F300 HydrophobicContact CE-CZ 4.22Å; D44-F300 HydrophobicContact CB-CE1 4.06Å; D44-F300 HydrophobicContact CB-CZ 3.94Å; C298-F300 VanDerWaalsContact SG-CE2 3.6Å; F300-Q304 HydrophobicContact CB-CB 4.13Å; F300-Q304 HydrophobicContact CD1-CB 4.37Å; F300-R305 HydrophobicContact CB-CG 4.05Å; F300-R305 PolarHBondContact O-NE 2.82Å; F300-R305 VanDerWaalsContact O-NE 3.16Å; F300-P316 HydrophobicContact CB-CG 4.05Å; F300-P316 HydrophobicContact CD1-CB 3.78Å; F300-P316 HydrophobicContact CD1-CG 3.98Å; F300-P316 HydrophobicContact CD2-CB 3.72Å; F300-P316 HydrophobicContact CD2-CG 4.15Å; F300-P316 HydrophobicContact CE1-CB 3.79Å; F300-P316 HydrophobicContact CE1-CG 4.46Å; F300-P316 HydrophobicContact CE2-CB 3.74Å; F300-P316 HydrophobicContact CG-CB 3.74Å; F300-P316 HydrophobicContact CG-CG 3.79Å; F300-P316 HydrophobicContact CZ-CB 3.76Å
301H98.1Very high98.2Very high51 Ų5131.1 Ų31.124%0.23617%0.174CC..  trans-57.2154.8172.5-72.5-77.6000111S303 Q304 R305 A392 E394H301-S303 PolarHBondContact O-N 2.71Å; H301-S303 VanDerWaalsContact O-N 3.15Å; H301-Q304 HydrophobicContact CB-CG 4.28Å; H301-Q304 WeakPolarHBondContact O-CB 3.46Å; H301-Q304 PolarHBondContact O-N 3.02Å; H301-R305 PolarHBondContact O-N 3.38Å; H301-A392 PolarHBondContact CE1-O 3.38Å; H301-E394 IonicContact CE1-OE1 3.7Å; H301-E394 IonicContact CG-OE1 2.72Å; H301-E394 IonicContact ND1-OE1 3.89Å; H301-E394 PolarHBondContact ND1-OE1 3.1Å; H301-E394 IonicContact ND1-OE2 3.51Å
302T97.6Very high98.2Very high38 Ų3830.5 Ų30.523%0.23317%0.171CC..Hα-helixtrans-55.5-35.6176-550000112.1A260 R305 A306 E394A260-T302 HydrophobicContact CB-CG2 3.67Å; T302-R305 PolarHBondContact O-N 2.82Å; T302-A306 WeakPolarHBondContact O-CB 3.12Å; T302-A306 PolarHBondContact O-N 2.83Å; T302-E394 PolarHBondContact N-OE2 3.05Å; T302-E394 PolarHBondContact OG1-OE2 3.49Å
303S97.5Very high98.2Very high90 Ų9032 Ų3263%0.62918%0.18SC*.Hα-helixtrans-66.5-40176.654.80000113.2H301 A306H301-S303 PolarHBondContact O-N 2.71Å; H301-S303 VanDerWaalsContact O-N 3.15Å; S303-A306 PolarHBondContact O-N 3.09Å
304Q98.1Very high98.2Very high33 Ų3335.4 Ų35.415%0.15420%0.197CC..Hα-helixtrans-65.8-42.6174.3-68.6173.4-52.500110.4M47 V48 F300 H301 A306 V307M47-Q304 HydrophobicContact SD-CB 3.76Å; M47-Q304 HydrophobicContact SD-CG 4.06Å; V48-Q304 PolarHBondContact O-NE2 2.89Å; F300-Q304 HydrophobicContact CB-CB 4.13Å; F300-Q304 HydrophobicContact CD1-CB 4.37Å; H301-Q304 HydrophobicContact CB-CG 4.28Å; H301-Q304 WeakPolarHBondContact O-CB 3.46Å; H301-Q304 PolarHBondContact O-N 3.02Å; Q304-A306 VanDerWaalsContact C-N 3.27Å; Q304-A306 PolarHBondContact O-N 3.08Å; Q304-V307 WeakPolarHBondContact O-CB 3.43Å; Q304-V307 VanDerWaalsContact O-CG2 3.28Å; Q304-V307 WeakPolarHBondContact O-CG2 3.3Å; Q304-V307 PolarHBondContact O-N 3.42Å
305R98.3Very high98.2Very high13 Ų1335.6 Ų35.65%0.04920%0.198CC..Hα-helixtrans-59.8-38.9176-67.5-178.5-172.6-86.3-1.5112.3W259 A263 F300 H301 T302 V307 G308 I315 P316 G318W259-R305 HydrophobicContact CH2-CB 4.27Å; W259-R305 WeakPolarHBondContact CH2-O 3.32Å; A263-R305 HydrophobicContact CB-CB 4.39Å; A263-R305 PolarHBondContact O-NH1 3.48Å; F300-R305 HydrophobicContact CB-CG 4.05Å; F300-R305 PolarHBondContact O-NE 2.82Å; F300-R305 VanDerWaalsContact O-NE 3.16Å; H301-R305 PolarHBondContact O-N 3.38Å; T302-R305 PolarHBondContact O-N 2.82Å; R305-V307 PolarHBondContact O-N 3.48Å; R305-G308 PolarHBondContact O-N 3.02Å; R305-I315 HydrophobicContact CB-CG2 4.31Å; R305-I315 HydrophobicContact CG-CG2 4.41Å; R305-P316 HydrophobicContact CG-CG 4.24Å; R305-P316 PolarHBondContact NH1-O 3.33Å; R305-G318 PolarHBondContact NH1-O 3.48Å; R305-G318 VanDerWaalsContact NH1-O 3.15Å; R305-G318 PolarHBondContact NH2-O 3.16Å
306A97.9Very high98.1Very high35 Ų3535.8 Ų35.829%0.28920%0.199SC..G310 helixtrans-61.8-10.3-177.700000114.8W259 T302 S303 Q304 G308 K309W259-A306 HydrophobicContact CH2-CB 4.4Å; W259-A306 HydrophobicContact CZ3-CB 4.23Å; T302-A306 WeakPolarHBondContact O-CB 3.12Å; T302-A306 PolarHBondContact O-N 2.83Å; S303-A306 PolarHBondContact O-N 3.09Å; Q304-A306 VanDerWaalsContact C-N 3.27Å; Q304-A306 PolarHBondContact O-N 3.08Å; A306-G308 PolarHBondContact O-N 3.23Å; A306-K309 VanDerWaalsContact O-CB 3.3Å; A306-K309 WeakPolarHBondContact O-CB 3.48Å; A306-K309 WeakPolarHBondContact O-CG 3.4Å; A306-K309 PolarHBondContact O-N 3.34Å
307V97.8Very high98.1Very high85 Ų8537.5 Ų37.552%0.51521%0.206SC..G310 helixtrans-53.9-34166.7174.60000111.2M47 Q304 R305 M314M47-V307 HydrophobicContact SD-CG2 4.16Å; Q304-V307 WeakPolarHBondContact O-CB 3.43Å; Q304-V307 VanDerWaalsContact O-CG2 3.28Å; Q304-V307 WeakPolarHBondContact O-CG2 3.3Å; Q304-V307 PolarHBondContact O-N 3.42Å; R305-V307 PolarHBondContact O-N 3.48Å; V307-M314 HydrophobicContact CG1-CB 4.44Å
308G97.9Very high98Very high0 Ų037.6 Ų37.60%021%0.207CC..G310 helixtrans-96.220.9176.300000115.8R305 A306 D310 N311R305-G308 PolarHBondContact O-N 3.02Å; A306-G308 PolarHBondContact O-N 3.23Å; G308-D310 PolarHBondContact O-N 3.37Å; G308-N311 CarbonylContact C-O 3.49Å; G308-N311 WeakPolarHBondContact CA-O 3.37Å; G308-N311 CarbonylContact O-C 3.21Å; G308-N311 PolarHBondContact O-N 2.89Å; G308-N311 VanDerWaalsContact O-N 3.11Å; G308-N311 VanDerWaalsContact O-O 3.07Å
309K97.9Very high98Very high117 Ų11737.4 Ų37.451%0.50921%0.206SC..THydrogen-bonded Turntrans-57.5-32.5-177.171-177.3-173.967.40114.7W259 A306W259-K309 HydrophobicContact CH2-CB 4.43Å; W259-K309 VanDerWaalsContact CZ2-CA 3.43Å; W259-K309 HydrophobicContact CZ2-CB 4.07Å; A306-K309 VanDerWaalsContact O-CB 3.3Å; A306-K309 WeakPolarHBondContact O-CB 3.48Å; A306-K309 WeakPolarHBondContact O-CG 3.4Å; A306-K309 PolarHBondContact O-N 3.34Å
310D98Very high98Very high114 Ų11437.6 Ų37.661%0.6121%0.207SC*.THydrogen-bonded Turntrans-110.97.2178.9-50-48000112.2A182 G308A182-D310 WeakPolarHBondContact CB-O 3.43Å; G308-D310 PolarHBondContact O-N 3.37Å
311N98.5Very high98Very high49 Ų4937.4 Ų37.426%0.26221%0.206SC..  trans-162.1105.5178.3-179.40.1000110.2L177 G308 T313 M314L177-N311 WeakPolarHBondContact CD2-OD1 3.49Å; G308-N311 CarbonylContact C-O 3.49Å; G308-N311 WeakPolarHBondContact CA-O 3.37Å; G308-N311 CarbonylContact O-C 3.21Å; G308-N311 PolarHBondContact O-N 2.89Å; G308-N311 VanDerWaalsContact O-N 3.11Å; G308-N311 VanDerWaalsContact O-O 3.07Å; N311-T313 PolarHBondContact ND2-OG1 3.23Å; N311-T313 PolarHBondContact O-N 2.9Å; N311-T313 VanDerWaalsContact O-N 3.12Å; N311-T313 PolarHBondContact OD1-N 2.91Å; N311-T313 VanDerWaalsContact OD1-N 3.12Å; N311-T313 PolarHBondContact OD1-OG1 3.21Å; N311-M314 HydrophobicContact CB-CG 4.25Å; N311-M314 WeakPolarHBondContact O-CB 3.42Å; N311-M314 PolarHBondContact O-N 2.92Å
312F98.7Very high98.1Very high0 Ų035 Ų350%020%0.195CC..G310 helixtrans-59.3-25.7-17772.6-94.3000114.4Q173 I176 L177 A182 G183 G186 H187 M314 I315Q173-F312 HydrophobicContact CB-CZ 4.41Å; Q173-F312 HydrophobicContact CG-CE2 4Å; Q173-F312 HydrophobicContact CG-CZ 4.21Å; I176-F312 HydrophobicContact CB-CE1 4.35Å; I176-F312 HydrophobicContact CB-CZ 4.32Å; I176-F312 HydrophobicContact CG2-CE1 3.65Å; I176-F312 HydrophobicContact CG2-CZ 3.96Å; L177-F312 HydrophobicContact CD2-CD1 3.92Å; L177-F312 HydrophobicContact CD2-CE1 3.69Å; L177-F312 HydrophobicContact CG-CE1 3.82Å; L177-F312 HydrophobicContact CG-CZ 4.41Å; A182-F312 PolarHBondContact O-N 2.9Å; G183-F312 VanDerWaalsContact O-CB 3.32Å; G183-F312 WeakPolarHBondContact O-CB 3.4Å; G186-F312 WeakPolarHBondContact O-CE2 3.29Å; G186-F312 WeakPolarHBondContact O-CZ 3.33Å; H187-F312 HydrophobicContact CB-CD2 3.73Å; H187-F312 HydrophobicContact CB-CE2 4.33Å; H187-F312 HydrophobicContact CB-CG 4.42Å; H187-F312 VanDerWaalsContact N-CD2 3.33Å; F312-M314 PolarHBondContact O-N 3.14Å; F312-M314 VanDerWaalsContact O-N 3.17Å; F312-I315 HydrophobicContact CB-CD1 4.14Å; F312-I315 WeakPolarHBondContact O-CB 3.37Å; F312-I315 PolarHBondContact O-N 2.91Å; F312-I315 VanDerWaalsContact O-N 3.08Å
313T98.1Very high98.1Very high30 Ų3033.4 Ų33.418%0.18419%0.185CC..G310 helixtrans-71.2-8.4178.672.30000113.3R45 Q173 L177 N311R45-T313 PolarHBondContact NH1-O 3.38Å; R45-T313 VanDerWaalsContact NH1-O 3.12Å; Q173-T313 HydrophobicContact CB-CG2 3.99Å; Q173-T313 HydrophobicContact CG-CG2 3.97Å; L177-T313 HydrophobicContact CD1-CG2 4.01Å; N311-T313 PolarHBondContact ND2-OG1 3.23Å; N311-T313 PolarHBondContact O-N 2.9Å; N311-T313 VanDerWaalsContact O-N 3.12Å; N311-T313 PolarHBondContact OD1-N 2.91Å; N311-T313 VanDerWaalsContact OD1-N 3.12Å; N311-T313 PolarHBondContact OD1-OG1 3.21Å
314M98Very high98.2Very high72 Ų7229.4 Ų29.436%0.35516%0.156SC..G310 helixtrans-102.4-1.5175.2-60.6-60.5-62.400112.8R45 V307 N311 F312 P316R45-M314 PolarHBondContact NH1-SD 2.87Å; V307-M314 HydrophobicContact CG1-CB 4.44Å; N311-M314 HydrophobicContact CB-CG 4.25Å; N311-M314 WeakPolarHBondContact O-CB 3.42Å; N311-M314 PolarHBondContact O-N 2.92Å; F312-M314 PolarHBondContact O-N 3.14Å; F312-M314 VanDerWaalsContact O-N 3.17Å; M314-P316 WeakPolarHBondContact O-CD 3.49Å
315I98.6Very high98.2Very high4 Ų427.9 Ų27.92%0.02115%0.149CC..SBendtrans-74.2121.6172.6-58.2173.2000107.6P184 W259 A263 V266 R305 F312 E317P184-I315 HydrophobicContact CB-CD1 4.37Å; P184-I315 HydrophobicContact CG-CD1 3.99Å; W259-I315 HydrophobicContact CZ2-CD1 3.84Å; W259-I315 HydrophobicContact CZ2-CG1 4.17Å; A263-I315 HydrophobicContact CB-CD1 4.28Å; A263-I315 HydrophobicContact CB-CG2 4.47Å; V266-I315 HydrophobicContact CB-CG2 3.9Å; V266-I315 HydrophobicContact CG1-CB 4.18Å; V266-I315 HydrophobicContact CG1-CG2 3.9Å; V266-I315 HydrophobicContact CG2-CD1 4.17Å; V266-I315 HydrophobicContact CG2-CG2 4.14Å; R305-I315 HydrophobicContact CB-CG2 4.31Å; R305-I315 HydrophobicContact CG-CG2 4.41Å; F312-I315 HydrophobicContact CB-CD1 4.14Å; F312-I315 WeakPolarHBondContact O-CB 3.37Å; F312-I315 PolarHBondContact O-N 2.91Å; F312-I315 VanDerWaalsContact O-N 3.08Å; I315-E317 PolarHBondContact O-N 3.39Å
316P97.8Very high98.2Very high4 Ų427.3 Ų27.33%0.02615%0.147CC..PPolyproline II helixtrans-58.9131.3173.425.2-36.1000111M47 F300 R305 M314M47-P316 HydrophobicContact CE-CB 4Å; M47-P316 HydrophobicContact CE-CG 4.03Å; F300-P316 HydrophobicContact CB-CG 4.05Å; F300-P316 HydrophobicContact CD1-CB 3.78Å; F300-P316 HydrophobicContact CD1-CG 3.98Å; F300-P316 HydrophobicContact CD2-CB 3.72Å; F300-P316 HydrophobicContact CD2-CG 4.15Å; F300-P316 HydrophobicContact CE1-CB 3.79Å; F300-P316 HydrophobicContact CE1-CG 4.46Å; F300-P316 HydrophobicContact CE2-CB 3.74Å; F300-P316 HydrophobicContact CG-CB 3.74Å; F300-P316 HydrophobicContact CG-CG 3.79Å; F300-P316 HydrophobicContact CZ-CB 3.76Å; R305-P316 HydrophobicContact CG-CG 4.24Å; R305-P316 PolarHBondContact NH1-O 3.33Å; M314-P316 WeakPolarHBondContact O-CD 3.49Å
317E97.4Very high98.3Very high42 Ų4226.2 Ų26.220%0.19614%0.137CC..PPolyproline II helixtrans-88.8124.9-171.7-58.2177.9173.800110.8Y134 H187 R191 V266 S268 I315Y134-E317 VanDerWaalsContact CE1-OE2 3.32Å; Y134-E317 WeakPolarHBondContact CE1-OE2 3.5Å; Y134-E317 PolarHBondContact OH-OE2 3.36Å; H187-E317 IonicContact CE1-OE1 3.84Å; R191-E317 IonicContact CZ-OE1 2.69Å; R191-E317 IonicContact NH1-OE1 3.17Å; R191-E317 PolarHBondContact NH1-OE1 3.48Å; R191-E317 IonicContact NH2-OE1 3.91Å; R191-E317 PolarHBondContact NH2-OE1 2.88Å; V266-E317 HydrophobicContact CG1-CG 4.41Å; S268-E317 WeakPolarHBondContact CB-OE2 3.46Å; S268-E317 PolarHBondContact OG-OE1 2.73Å; S268-E317 PolarHBondContact OG-OE2 3.44Å; I315-E317 PolarHBondContact O-N 3.39Å
318G97.4Very high98.3Very high3 Ų322.2 Ų22.23%0.03111%0.113CC..  trans157.4158.3177.100000113.3V266 C298 R305V266-G318 PolarHBondContact O-N 3.14Å; C298-G318 CarbonylContact O-C 3.41Å; C298-G318 WeakPolarHBondContact O-CA 3.48Å; R305-G318 PolarHBondContact NH1-O 3.48Å; R305-G318 VanDerWaalsContact NH1-O 3.15Å; R305-G318 PolarHBondContact NH2-O 3.16Å
319T98.4Very high98.3Very high0 Ų022.3 Ų22.30%011%0.113CC..BIsolated β-bridgetrans-138.8170.2-179.756.10000111.6T267 H297 C298 I397T267-T319 HydrophobicContact CG2-CG2 4.19Å; H297-T319 WeakPolarHBondContact CA-O 3.37Å; C298-T319 PolarHBondContact N-O 3.31Å; C298-T319 PolarHBondContact O-N 2.82Å; T319-I397 HydrophobicContact CG2-CD1 4.18Å; T319-I397 HydrophobicContact CG2-CG2 4.07Å
320N98.6Very high98.4Very high5 Ų517.2 Ų17.23%0.0279%0.091CC..  trans-85.1168.6169.871.5-79.7000112.5H297 T299 E324 L391 N396 I397H297-N320 WeakPolarHBondContact ND1-CA 3.25Å; T299-N320 HydrophobicContact CG2-CB 3.79Å; N320-E324 PolarHBondContact ND2-OE2 3.35Å; N320-L391 HydrophobicContact CB-CD1 3.44Å; N320-L391 VanDerWaalsContact CB-CD1 3.44Å; N320-N396 PolarHBondContact ND2-ND2 3Å; N320-N396 PolarHBondContact ND2-OD1 3.24Å; N320-N396 WeakPolarHBondContact OD1-CA 3.45Å; N320-I397 PolarHBondContact OD1-N 2.61Å
321G98.3Very high98.4Very high0 Ų012.7 Ų12.70%07%0.067CC..  trans161.2-12.4177.500000116.6S244 H297 E323 E324 R325S244-G321 PolarHBondContact OG-O 2.7Å; H297-G321 PolarHBondContact ND1-N 3.42Å; H297-G321 VanDerWaalsContact ND1-N 3.12Å; G321-E323 VanDerWaalsContact C-N 3.34Å; G321-E323 PolarHBondContact O-N 3.29Å; G321-E324 WeakPolarHBondContact CA-OE2 3.43Å; G321-E324 PolarHBondContact N-OE2 3.02Å; G321-E324 PolarHBondContact O-N 3.34Å; G321-R325 WeakPolarHBondContact O-CB 3.48Å; G321-R325 PolarHBondContact O-N 3.11Å
322T98.7Very high98.4Very high0 Ų013 Ų130%07%0.066CC..THydrogen-bonded Turntrans-66.1-35.1-174.4-160.20000112.8D35 F40 A59 A60 H297 L391D35-T322 PolarHBondContact OD2-OG1 3.01Å; F40-T322 HydrophobicContact CE1-CG2 4.34Å; F40-T322 HydrophobicContact CZ-CG2 4.21Å; A59-T322 HydrophobicContact CB-CG2 4.01Å; A60-T322 HydrophobicContact CB-CG2 4.39Å; H297-T322 PolarHBondContact ND1-N 2.82Å; T322-L391 HydrophobicContact CG2-CD2 4.49Å
323E98.7Very high98.4Very high5 Ų513 Ų132%0.0237%0.066CC..THydrogen-bonded Turntrans-74.1-39.8173.7-180176.6155.800111.5A59 A62 G63 G321 K382 N390A59-E323 HydrophobicContact CB-CB 4.2Å; A59-E323 WeakPolarHBondContact O-CA 3.46Å; A59-E323 WeakPolarHBondContact O-CB 3.27Å; A62-E323 HydrophobicContact CB-CG 4.25Å; G63-E323 WeakPolarHBondContact CA-O 3.25Å; G321-E323 VanDerWaalsContact C-N 3.34Å; G321-E323 PolarHBondContact O-N 3.29Å; E323-K382 IonicContact OE1-NZ 3.7Å; E323-K382 PolarHBondContact OE1-NZ 2.97Å; E323-N390 WeakPolarHBondContact OE2-CA 3.31Å; E323-N390 WeakPolarHBondContact OE2-CB 3.2Å; E323-N390 PolarHBondContact OE2-N 2.96Å; E323-N390 PolarHBondContact OE2-ND2 3.28Å
324E98.6Very high98.4Very high7 Ų712.6 Ų12.63%0.0336%0.064CC..THydrogen-bonded Turntrans-83.1-21.3-171.1-61.778.2-167.800113.7N320 G321 M326 S327 L328 I384 N396 F398N320-E324 PolarHBondContact ND2-OE2 3.35Å; G321-E324 WeakPolarHBondContact CA-OE2 3.43Å; G321-E324 PolarHBondContact N-OE2 3.02Å; G321-E324 PolarHBondContact O-N 3.34Å; E324-M326 PolarHBondContact O-N 2.89Å; E324-S327 PolarHBondContact O-N 2.78Å; E324-S327 VanDerWaalsContact O-N 3.17Å; E324-L328 HydrophobicContact CB-CD1 3.68Å; E324-L328 HydrophobicContact CB-CG 4.13Å; E324-L328 WeakPolarHBondContact O-CG 3.43Å; E324-L328 PolarHBondContact O-N 3.28Å; E324-I384 HydrophobicContact CB-CD1 4.24Å; E324-I384 HydrophobicContact CG-CD1 3.93Å; E324-I384 HydrophobicContact CG-CG1 4.39Å; E324-I384 HydrophobicContact CG-CG2 3.97Å; E324-N396 PolarHBondContact OE1-ND2 2.98Å; E324-F398 HydrophobicContact CB-CD2 3.97Å; E324-F398 HydrophobicContact CB-CE2 4.17Å; E324-F398 HydrophobicContact CG-CD2 3.88Å; E324-F398 HydrophobicContact CG-CE2 4.44Å
325R98.8Very high98.4Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-46.3-52.5-168.9-175.2178.265.889.24.4113.7I34 T65 S244 T293 G321 V329 T348I34-R325 PolarHBondContact O-NH1 3.47Å; T65-R325 PolarHBondContact OG1-NH2 3.34Å; S244-R325 WeakPolarHBondContact OG-CA 3.36Å; S244-R325 VanDerWaalsContact OG-CB 3.25Å; S244-R325 WeakPolarHBondContact OG-CB 3.43Å; S244-R325 WeakPolarHBondContact OG-CG 3.45Å; T293-R325 PolarHBondContact O-NH1 3.26Å; T293-R325 PolarHBondContact OG1-NH1 3.13Å; G321-R325 WeakPolarHBondContact O-CB 3.48Å; G321-R325 PolarHBondContact O-N 3.11Å; R325-V329 VanDerWaalsContact O-CG2 3.24Å; R325-V329 WeakPolarHBondContact O-CG2 3.39Å; R325-V329 PolarHBondContact O-N 3.14Å; R325-T348 PolarHBondContact NH1-O 2.97Å
326M98.8Very high98.4Very high1 Ų115.5 Ų15.51%0.0059%0.086CC..Hα-helixtrans-69.2-43.9-174.6-68.5-166.466.700111.9G63 E324 V329 W330 F344 W376G63-M326 WeakPolarHBondContact O-CB 3.33Å; E324-M326 PolarHBondContact O-N 2.89Å; M326-V329 PolarHBondContact O-N 2.85Å; M326-W330 WeakPolarHBondContact O-CB 3.42Å; M326-W330 PolarHBondContact O-N 2.98Å; M326-F344 HydrophobicContact CB-CZ 4.18Å; M326-F344 HydrophobicContact CE-CE1 3.75Å; M326-F344 HydrophobicContact CE-CZ 3.64Å; M326-F344 WeakPolarHBondContact O-CE2 3.37Å; M326-W376 HydrophobicContact CB-CH2 3.79Å; M326-W376 HydrophobicContact CB-CZ3 3.87Å; M326-W376 HydrophobicContact CE-CZ3 4.29Å
327S98.6Very high98.4Very high13 Ų1318.4 Ų18.49%0.09112%0.116CC..Hα-helixtrans-67.7-36.5178.4-69.80000112.1E324 W330 D331 G405E324-S327 PolarHBondContact O-N 2.78Å; E324-S327 VanDerWaalsContact O-N 3.17Å; S327-W330 PolarHBondContact O-N 2.65Å; S327-D331 VanDerWaalsContact O-CB 3.24Å; S327-D331 WeakPolarHBondContact O-CB 3.36Å; S327-D331 PolarHBondContact O-N 2.88Å; S327-G405 WeakPolarHBondContact CB-O 3.22Å; S327-G405 PolarHBondContact OG-O 3.31Å
328L98.5Very high98.4Very high1 Ų119 Ų191%0.00512%0.118CC..Hα-helixtrans-63.6-48.7174.4-76.3170000111.8E324 W330 D331 K332 I384 F398 V403E324-L328 HydrophobicContact CB-CD1 3.68Å; E324-L328 HydrophobicContact CB-CG 4.13Å; E324-L328 WeakPolarHBondContact O-CG 3.43Å; E324-L328 PolarHBondContact O-N 3.28Å; L328-W330 VanDerWaalsContact C-N 3.31Å; L328-W330 PolarHBondContact O-N 3.02Å; L328-D331 PolarHBondContact O-N 2.84Å; L328-K332 VanDerWaalsContact O-CB 3.3Å; L328-K332 WeakPolarHBondContact O-CB 3.36Å; L328-K332 VanDerWaalsContact O-CG 3.24Å; L328-K332 WeakPolarHBondContact O-CG 3.31Å; L328-K332 PolarHBondContact O-N 3.47Å; L328-I384 HydrophobicContact CD2-CD1 4.17Å; L328-I384 HydrophobicContact CG-CD1 4.39Å; L328-F398 HydrophobicContact CD1-CD1 3.77Å; L328-F398 HydrophobicContact CD1-CD2 3.82Å; L328-F398 HydrophobicContact CD1-CE1 3.55Å; L328-F398 HydrophobicContact CD1-CE2 3.6Å; L328-F398 HydrophobicContact CD1-CG 3.9Å; L328-F398 HydrophobicContact CD1-CZ 3.46Å; L328-F398 VanDerWaalsContact CD1-CZ 3.46Å; L328-F398 HydrophobicContact CD2-CD1 4.18Å; L328-F398 HydrophobicContact CD2-CG 4.45Å; L328-V403 HydrophobicContact CD2-CG1 4.08Å
329V98.6Very high98.4Very high1 Ų119.2 Ų19.21%0.00612%0.118CC..Hα-helixtrans-64-40.4179.1177.70000110.5L247 L285 T293 R325 M326 C333 M339 F344 V347 T348L247-V329 HydrophobicContact CD1-CG2 4.01Å; L285-V329 HydrophobicContact CD2-CG1 4.39Å; T293-V329 HydrophobicContact CG2-CG2 3.9Å; R325-V329 VanDerWaalsContact O-CG2 3.24Å; R325-V329 WeakPolarHBondContact O-CG2 3.39Å; R325-V329 PolarHBondContact O-N 3.14Å; M326-V329 PolarHBondContact O-N 2.85Å; V329-C333 WeakPolarHBondContact O-CB 3.37Å; V329-C333 PolarHBondContact O-N 3.46Å; V329-M339 HydrophobicContact CG1-SD 4.23Å; V329-F344 HydrophobicContact CB-CD2 4.4Å; V329-F344 HydrophobicContact CB-CE2 4.12Å; V329-F344 HydrophobicContact CG1-CD2 3.89Å; V329-F344 HydrophobicContact CG1-CE2 4.11Å; V329-V347 HydrophobicContact CG1-CG2 4.15Å; V329-T348 HydrophobicContact CB-CG2 4.43Å; V329-T348 HydrophobicContact CG1-CG2 4.19Å
330W98.8Very high98.4Very high11 Ų1122.4 Ų22.44%0.04214%0.135CC..Iπ-helixtrans-61-53.7175.9-175.9-81.9000111.8M28 M30 M326 S327 L328 K332 V334 V335 E341 F344 W376 P378M28-W330 HydrophobicContact CE-CH2 4.29Å; M28-W330 HydrophobicContact SD-CH2 3.45Å; M28-W330 WeakPolarHBondContact SD-CH2 3.42Å; M28-W330 HydrophobicContact SD-CZ2 4.3Å; M28-W330 HydrophobicContact SD-CZ3 4.16Å; M30-W330 HydrophobicContact CE-CE3 4.45Å; M30-W330 HydrophobicContact CE-CZ3 3.98Å; M30-W330 HydrophobicContact SD-CZ3 4.43Å; M326-W330 WeakPolarHBondContact O-CB 3.42Å; M326-W330 PolarHBondContact O-N 2.98Å; S327-W330 PolarHBondContact O-N 2.65Å; L328-W330 VanDerWaalsContact C-N 3.31Å; L328-W330 PolarHBondContact O-N 3.02Å; W330-K332 PolarHBondContact O-N 3.44Å; W330-V334 HydrophobicContact CD2-CB 4.01Å; W330-V334 HydrophobicContact CD2-CG1 4.22Å; W330-V334 HydrophobicContact CD2-CG2 4.08Å; W330-V334 HydrophobicContact CE3-CB 4.24Å; W330-V334 HydrophobicContact CE3-CG1 4.33Å; W330-V334 HydrophobicContact CE3-CG2 3.85Å; W330-V334 HydrophobicContact CG-CB 4.33Å; W330-V334 HydrophobicContact CH2-CG1 3.86Å; W330-V334 HydrophobicContact CZ2-CB 4.44Å; W330-V334 HydrophobicContact CZ2-CG1 3.76Å; W330-V334 HydrophobicContact CZ3-CG1 4.16Å; W330-V334 HydrophobicContact CZ3-CG2 4.18Å; W330-V334 WeakPolarHBondContact O-CA 3.38Å; W330-V334 VanDerWaalsContact O-CB 3.29Å; W330-V334 WeakPolarHBondContact O-CB 3.43Å; W330-V334 PolarHBondContact O-N 3.11Å; W330-V335 PolarHBondContact O-N 3.32Å; W330-E341 HydrophobicContact CH2-CB 4.31Å; W330-E341 HydrophobicContact CZ3-CB 4.33Å; W330-F344 HydrophobicContact CB-CD2 4.34Å; W330-F344 HydrophobicContact CB-CE2 3.84Å; W330-F344 HydrophobicContact CB-CZ 4.33Å; W330-F344 AromaticContact CE3-CD1 3.76Å; W330-F344 HydrophobicContact CE3-CD1 3.76Å; W330-F344 AromaticContact CE3-CD2 3.98Å; W330-F344 HydrophobicContact CE3-CD2 3.98Å; W330-F344 AromaticContact CE3-CE1 3.84Å; W330-F344 HydrophobicContact CE3-CE1 3.84Å; W330-F344 HydrophobicContact CE3-CE2 4.07Å; W330-F344 AromaticContact CE3-CG 3.82Å; W330-F344 HydrophobicContact CE3-CG 3.82Å; W330-F344 AromaticContact CE3-CZ 3.99Å; W330-F344 HydrophobicContact CE3-CZ 3.99Å; W330-F344 AromaticContact CZ3-CD1 3.95Å; W330-F344 HydrophobicContact CZ3-CD1 3.95Å; W330-F344 HydrophobicContact CZ3-CE1 4.31Å; W330-F344 HydrophobicContact CZ3-CG 4.21Å; W330-W376 HydrophobicContact CB-CZ2 3.66Å; W330-W376 AromaticContact CD2-CE2 3.83Å; W330-W376 HydrophobicContact CD2-CZ2 4.03Å; W330-W376 AromaticContact CD2-NE1 3.21Å; W330-W376 AromaticContact CE2-NE1 3.41Å; W330-W376 AromaticContact CE3-CE2 3.95Å; W330-W376 HydrophobicContact CE3-CZ2 4.32Å; W330-W376 AromaticContact CE3-NE1 3.43Å; W330-W376 AromaticContact CG-CZ2 3.72Å; W330-W376 HydrophobicContact CG-CZ2 3.72Å; W330-W376 AromaticContact CG-NE1 3.73Å; W330-W376 AromaticContact CZ2-NE1 3.86Å; W330-W376 AromaticContact CZ3-NE1 3.86Å; W330-W376 AromaticContact NE1-NE1 3.89Å; W330-P378 HydrophobicContact CH2-CB 4.41Å; W330-P378 HydrophobicContact CZ2-CB 3.56Å
331D98.6Very high98.4Very high18 Ų1826.2 Ų26.210%0.09615%0.153CC..Iπ-helixtrans-60.9-47.4-179.4-176.778000111.9S327 L328 V335 V403 R404S327-D331 VanDerWaalsContact O-CB 3.24Å; S327-D331 WeakPolarHBondContact O-CB 3.36Å; S327-D331 PolarHBondContact O-N 2.88Å; L328-D331 PolarHBondContact O-N 2.84Å; D331-V335 WeakPolarHBondContact O-CB 3.43Å; D331-V403 HydrophobicContact CB-CB 4.03Å; D331-V403 HydrophobicContact CB-CG1 4.15Å; D331-R404 PolarHBondContact OD1-N 2.76Å
332K98.2Very high98.4Very high55 Ų5531.7 Ų31.724%0.23918%0.182CC..Iπ-helixtrans-78.8-23.1-173.8-59.4-55.1176-140.70114.1L328 W330 T336L328-K332 VanDerWaalsContact O-CB 3.3Å; L328-K332 WeakPolarHBondContact O-CB 3.36Å; L328-K332 VanDerWaalsContact O-CG 3.24Å; L328-K332 WeakPolarHBondContact O-CG 3.31Å; L328-K332 PolarHBondContact O-N 3.47Å; W330-K332 PolarHBondContact O-N 3.44Å; K332-T336 WeakPolarHBondContact O-CG2 3.38Å; K332-T336 PolarHBondContact O-OG1 3.37Å
333C98.4Very high98.4Very high0 Ų035.1 Ų35.10%020%0.198CC..Iπ-helixtrans-117.5-43.9-176-55.60000114.3N282 V329 T336 K338 M339N282-C333 PolarHBondContact OD1-SG 3.48Å; V329-C333 WeakPolarHBondContact O-CB 3.37Å; V329-C333 PolarHBondContact O-N 3.46Å; C333-T336 WeakPolarHBondContact CA-OG1 3.48Å; C333-T336 PolarHBondContact O-OG1 2.71Å; C333-K338 WeakPolarHBondContact O-CA 3.13Å; C333-K338 WeakPolarHBondContact O-CB 3.3Å; C333-K338 PolarHBondContact O-N 3.09Å; C333-M339 HydrophobicContact CB-CB 4.31Å; C333-M339 HydrophobicContact CB-CE 3.42Å; C333-M339 VanDerWaalsContact CB-CE 3.42Å; C333-M339 HydrophobicContact CB-CG 3.46Å; C333-M339 VanDerWaalsContact CB-CG 3.46Å; C333-M339 HydrophobicContact CB-SD 3.4Å; C333-M339 WeakPolarHBondContact CB-SD 3.46Å; C333-M339 PolarHBondContact O-N 3.48Å
334V98.6Very high98.4Very high23 Ų2334.9 Ų34.914%0.13920%0.197CC..Iπ-helixtrans-80-52.8-176.4-177.40000110.3W330 T336 G337 M339 F344W330-V334 HydrophobicContact CD2-CB 4.01Å; W330-V334 HydrophobicContact CD2-CG1 4.22Å; W330-V334 HydrophobicContact CD2-CG2 4.08Å; W330-V334 HydrophobicContact CE3-CB 4.24Å; W330-V334 HydrophobicContact CE3-CG1 4.33Å; W330-V334 HydrophobicContact CE3-CG2 3.85Å; W330-V334 HydrophobicContact CG-CB 4.33Å; W330-V334 HydrophobicContact CH2-CG1 3.86Å; W330-V334 HydrophobicContact CZ2-CB 4.44Å; W330-V334 HydrophobicContact CZ2-CG1 3.76Å; W330-V334 HydrophobicContact CZ3-CG1 4.16Å; W330-V334 HydrophobicContact CZ3-CG2 4.18Å; W330-V334 WeakPolarHBondContact O-CA 3.38Å; W330-V334 VanDerWaalsContact O-CB 3.29Å; W330-V334 WeakPolarHBondContact O-CB 3.43Å; W330-V334 PolarHBondContact O-N 3.11Å; V334-T336 PolarHBondContact O-N 2.99Å; V334-G337 PolarHBondContact O-N 2.93Å; V334-M339 WeakPolarHBondContact CA-O 3.37Å; V334-M339 HydrophobicContact CB-CG 4.45Å; V334-M339 HydrophobicContact CG2-CG 3.6Å; V334-M339 HydrophobicContact CG2-SD 4Å; V334-F344 HydrophobicContact CG2-CB 3.73Å; V334-F344 HydrophobicContact CG2-CD2 4.1Å; V334-F344 HydrophobicContact CG2-CG 4.13Å
335V98.3Very high98.5Very high58 Ų5835.8 Ų35.835%0.35220%0.203SC..THydrogen-bonded Turntrans-63.5-31.9-178176.60000111.6W330 D331 G337 R404W330-V335 PolarHBondContact O-N 3.32Å; D331-V335 WeakPolarHBondContact O-CB 3.43Å; V335-G337 VanDerWaalsContact C-N 3.28Å; V335-G337 PolarHBondContact O-N 3.36Å; V335-R404 HydrophobicContact CG2-CB 4.12Å
336T97.6Very high98.5Very high79 Ų7936.9 Ų36.949%0.48521%0.212SC..THydrogen-bonded Turntrans-79.2-7.6176.259.70000113.7K332 C333 V334K332-T336 WeakPolarHBondContact O-CG2 3.38Å; K332-T336 PolarHBondContact O-OG1 3.37Å; C333-T336 WeakPolarHBondContact CA-OG1 3.48Å; C333-T336 PolarHBondContact O-OG1 2.71Å; V334-T336 PolarHBondContact O-N 2.99Å
337G97.9Very high98.5Very high64 Ų6437.2 Ų37.266%0.6621%0.214SC*.THydrogen-bonded Turntrans76.816-179.800000114.9V334 V335V334-G337 PolarHBondContact O-N 2.93Å; V335-G337 VanDerWaalsContact C-N 3.28Å; V335-G337 PolarHBondContact O-N 3.36Å
338K98.3Very high98.5Very high54 Ų5436.6 Ų36.624%0.23521%0.21CC..SBendtrans-75.4-34.9174.2-64.5-173.9178.1-138.40112.2D279 N282 S283 S286 C333D279-K338 PolarHBondContact O-NZ 3Å; D279-K338 WeakPolarHBondContact OD1-CE 3.5Å; D279-K338 IonicContact OD1-NZ 2.78Å; D279-K338 PolarHBondContact OD1-NZ 3.43Å; D279-K338 IonicContact OD2-NZ 3.32Å; D279-K338 PolarHBondContact OD2-NZ 3.45Å; N282-K338 HydrophobicContact CB-CD 4.19Å; S283-K338 PolarHBondContact OG-NZ 2.9Å; S286-K338 VanDerWaalsContact CB-O 3.3Å; S286-K338 WeakPolarHBondContact CB-O 3.25Å; S286-K338 WeakPolarHBondContact OG-CB 3.22Å; C333-K338 WeakPolarHBondContact O-CA 3.13Å; C333-K338 WeakPolarHBondContact O-CB 3.3Å; C333-K338 PolarHBondContact O-N 3.09Å
339M97.9Very high98.5Very high8 Ų836.6 Ų36.64%0.03921%0.21CC..SBendtrans-133.8152.7177.977178.737.500111.6L285 V329 C333 V334 Q343 F344 V347L285-M339 HydrophobicContact CD2-CE 4.19Å; L285-M339 HydrophobicContact CG-CE 4.23Å; V329-M339 HydrophobicContact CG1-SD 4.23Å; C333-M339 HydrophobicContact CB-CB 4.31Å; C333-M339 HydrophobicContact CB-CE 3.42Å; C333-M339 VanDerWaalsContact CB-CE 3.42Å; C333-M339 HydrophobicContact CB-CG 3.46Å; C333-M339 VanDerWaalsContact CB-CG 3.46Å; C333-M339 HydrophobicContact CB-SD 3.4Å; C333-M339 WeakPolarHBondContact CB-SD 3.46Å; C333-M339 PolarHBondContact O-N 3.48Å; V334-M339 WeakPolarHBondContact CA-O 3.37Å; V334-M339 HydrophobicContact CB-CG 4.45Å; V334-M339 HydrophobicContact CG2-CG 3.6Å; V334-M339 HydrophobicContact CG2-SD 4Å; M339-Q343 HydrophobicContact CB-CB 3.88Å; M339-F344 HydrophobicContact SD-CB 3.95Å; M339-V347 HydrophobicContact CE-CG2 4.14Å; M339-V347 HydrophobicContact SD-CG2 4.43Å
340D98.5Very high98.5Very high68 Ų6837.3 Ų37.336%0.36421%0.214SC..  trans-84.2172.5166.867.234.7000111.9N342 Q343 F344D340-N342 PolarHBondContact O-N 3.38Å; D340-N342 WeakPolarHBondContact OD1-CA 3.25Å; D340-N342 WeakPolarHBondContact OD1-CB 3.37Å; D340-N342 PolarHBondContact OD1-N 3.37Å; D340-Q343 PolarHBondContact O-N 2.99Å; D340-Q343 WeakPolarHBondContact OD1-CG 3.14Å; D340-Q343 PolarHBondContact OD1-N 2.73Å; D340-F344 PolarHBondContact O-N 3.15Å
341E98.4Very high98.5Very high85 Ų8538.3 Ų38.340%0.39722%0.22SC..Hα-helixtrans-61.5-27.2177.460-94.9-146.700114M28 W330 F344 V345M28-E341 HydrophobicContact CE-CB 3.3Å; M28-E341 HydrophobicContact CE-CG 3.5Å; M28-E341 VanDerWaalsContact CE-CG 3.5Å; M28-E341 HydrophobicContact SD-CB 4.43Å; W330-E341 HydrophobicContact CH2-CB 4.31Å; W330-E341 HydrophobicContact CZ3-CB 4.33Å; E341-F344 WeakPolarHBondContact O-CB 3.34Å; E341-F344 PolarHBondContact O-N 2.69Å; E341-V345 WeakPolarHBondContact O-CG2 3.38Å; E341-V345 PolarHBondContact O-N 3Å
342N98.6Very high98.5Very high114 Ų11437.4 Ų37.461%0.6122%0.216SC*.Hα-helixtrans-76.1-38.9-179.4-60.5122.5000110.4D340 V345 A346D340-N342 PolarHBondContact O-N 3.38Å; D340-N342 WeakPolarHBondContact OD1-CA 3.25Å; D340-N342 WeakPolarHBondContact OD1-CB 3.37Å; D340-N342 PolarHBondContact OD1-N 3.37Å; N342-V345 PolarHBondContact O-N 3.16Å; N342-A346 PolarHBondContact O-N 2.74Å
343Q98.7Very high98.6Very high72 Ų7234.8 Ų34.834%0.33620%0.204SC..Hα-helixtrans-65.1-39.7170.8-69.3175.2-54.800111S286 M339 D340 V345 A346 V347S286-Q343 PolarHBondContact O-NE2 3.1Å; M339-Q343 HydrophobicContact CB-CB 3.88Å; D340-Q343 PolarHBondContact O-N 2.99Å; D340-Q343 WeakPolarHBondContact OD1-CG 3.14Å; D340-Q343 PolarHBondContact OD1-N 2.73Å; Q343-V345 PolarHBondContact O-N 2.78Å; Q343-A346 WeakPolarHBondContact O-CA 3.42Å; Q343-A346 VanDerWaalsContact O-CB 3.3Å; Q343-A346 WeakPolarHBondContact O-CB 3.23Å; Q343-A346 PolarHBondContact O-N 2.94Å; Q343-V347 WeakPolarHBondContact O-CG2 3.41Å; Q343-V347 PolarHBondContact O-N 3.06Å
344F98.9Very high98.6Very high1 Ų137.7 Ų37.70%0.00422%0.217CC..Hα-helixtrans-56-50.3171.2172.9-98000111.8M30 M326 V329 W330 V334 M339 D340 E341 A346 V347 T348 W376M30-F344 HydrophobicContact CE-CD1 4.2Å; M30-F344 HydrophobicContact CE-CE1 3.85Å; M30-F344 HydrophobicContact SD-CD1 3.8Å; M30-F344 HydrophobicContact SD-CE1 3.94Å; M326-F344 HydrophobicContact CB-CZ 4.18Å; M326-F344 HydrophobicContact CE-CE1 3.75Å; M326-F344 HydrophobicContact CE-CZ 3.64Å; M326-F344 WeakPolarHBondContact O-CE2 3.37Å; V329-F344 HydrophobicContact CB-CD2 4.4Å; V329-F344 HydrophobicContact CB-CE2 4.12Å; V329-F344 HydrophobicContact CG1-CD2 3.89Å; V329-F344 HydrophobicContact CG1-CE2 4.11Å; W330-F344 HydrophobicContact CB-CD2 4.34Å; W330-F344 HydrophobicContact CB-CE2 3.84Å; W330-F344 HydrophobicContact CB-CZ 4.33Å; W330-F344 AromaticContact CE3-CD1 3.76Å; W330-F344 HydrophobicContact CE3-CD1 3.76Å; W330-F344 AromaticContact CE3-CD2 3.98Å; W330-F344 HydrophobicContact CE3-CD2 3.98Å; W330-F344 AromaticContact CE3-CE1 3.84Å; W330-F344 HydrophobicContact CE3-CE1 3.84Å; W330-F344 HydrophobicContact CE3-CE2 4.07Å; W330-F344 AromaticContact CE3-CG 3.82Å; W330-F344 HydrophobicContact CE3-CG 3.82Å; W330-F344 AromaticContact CE3-CZ 3.99Å; W330-F344 HydrophobicContact CE3-CZ 3.99Å; W330-F344 AromaticContact CZ3-CD1 3.95Å; W330-F344 HydrophobicContact CZ3-CD1 3.95Å; W330-F344 HydrophobicContact CZ3-CE1 4.31Å; W330-F344 HydrophobicContact CZ3-CG 4.21Å; V334-F344 HydrophobicContact CG2-CB 3.73Å; V334-F344 HydrophobicContact CG2-CD2 4.1Å; V334-F344 HydrophobicContact CG2-CG 4.13Å; M339-F344 HydrophobicContact SD-CB 3.95Å; D340-F344 PolarHBondContact O-N 3.15Å; E341-F344 WeakPolarHBondContact O-CB 3.34Å; E341-F344 PolarHBondContact O-N 2.69Å; F344-A346 PolarHBondContact O-N 3.24Å; F344-V347 PolarHBondContact O-N 2.89Å; F344-T348 HydrophobicContact CD2-CG2 3.95Å; F344-T348 HydrophobicContact CE2-CG2 3.68Å; F344-T348 HydrophobicContact CG-CG2 4.49Å; F344-T348 HydrophobicContact CZ-CG2 4.01Å; F344-T348 WeakPolarHBondContact O-CB 3.37Å; F344-T348 WeakPolarHBondContact O-CG2 3.37Å; F344-T348 PolarHBondContact O-N 2.94Å; F344-T348 PolarHBondContact O-OG1 2.78Å; F344-W376 HydrophobicContact CZ-CH2 4.47Å; F344-W376 HydrophobicContact CZ-CZ2 4.45Å
345V98.9Very high98.6Very high25 Ų2536.7 Ų36.715%0.15221%0.211CC..Hα-helixtrans-59.8-35.6174.2169.70000111.4M30 P31 E341 N342 Q343 S349 T350M30-V345 HydrophobicContact CB-CG2 4.11Å; M30-V345 HydrophobicContact CG-CG2 3.9Å; M30-V345 HydrophobicContact SD-CG2 3.55Å; M30-V345 VanDerWaalsContact SD-CG2 3.55Å; P31-V345 HydrophobicContact CG-CG1 3.93Å; E341-V345 WeakPolarHBondContact O-CG2 3.38Å; E341-V345 PolarHBondContact O-N 3Å; N342-V345 PolarHBondContact O-N 3.16Å; Q343-V345 PolarHBondContact O-N 2.78Å; V345-S349 PolarHBondContact O-N 3.48Å; V345-S349 PolarHBondContact O-OG 3.32Å; V345-T350 PolarHBondContact O-N 3.36Å; V345-T350 PolarHBondContact O-OG1 2.52Å
346A98.9Very high98.6Very high24 Ų2434 Ų3420%0.19819%0.194CC..Iπ-helixtrans-62.8-52.4178.800000112.1N342 Q343 F344 T350 N351N342-A346 PolarHBondContact O-N 2.74Å; Q343-A346 WeakPolarHBondContact O-CA 3.42Å; Q343-A346 VanDerWaalsContact O-CB 3.3Å; Q343-A346 WeakPolarHBondContact O-CB 3.23Å; Q343-A346 PolarHBondContact O-N 2.94Å; F344-A346 PolarHBondContact O-N 3.24Å; A346-T350 PolarHBondContact O-N 3.14Å; A346-N351 VanDerWaalsContact O-CB 3.23Å; A346-N351 WeakPolarHBondContact O-CB 3.41Å; A346-N351 PolarHBondContact O-N 3.02Å; A346-N351 PolarHBondContact O-ND2 3.47Å
347V98.8Very high98.7Very high7 Ų732.6 Ų32.64%0.04218%0.184CC..Iπ-helixtrans-79.7-23-172.6-57.60000113.9L285 T293 V329 M339 Q343 F344L285-V347 HydrophobicContact CD1-CB 3.89Å; L285-V347 HydrophobicContact CD1-CG1 3.74Å; L285-V347 HydrophobicContact CD1-CG2 4.47Å; L285-V347 HydrophobicContact CD2-CB 4.48Å; L285-V347 HydrophobicContact CD2-CG2 4.17Å; L285-V347 HydrophobicContact CG-CB 4.25Å; L285-V347 HydrophobicContact CG-CG1 4.02Å; L285-V347 HydrophobicContact CG-CG2 4.34Å; T293-V347 HydrophobicContact CG2-CB 4.42Å; T293-V347 HydrophobicContact CG2-CG2 4.33Å; T293-V347 PolarHBondContact N-O 3.18Å; T293-V347 PolarHBondContact OG1-O 3.13Å; V329-V347 HydrophobicContact CG1-CG2 4.15Å; M339-V347 HydrophobicContact CE-CG2 4.14Å; M339-V347 HydrophobicContact SD-CG2 4.43Å; Q343-V347 WeakPolarHBondContact O-CG2 3.41Å; Q343-V347 PolarHBondContact O-N 3.06Å; F344-V347 PolarHBondContact O-N 2.89Å
348T98.9Very high98.7Very high1 Ų130 Ų301%0.00616%0.155CC..Iπ-helixtrans-94.7-16.5-179.160.50000114.4I34 R325 V329 F344I34-T348 PolarHBondContact N-O 3.18Å; R325-T348 PolarHBondContact NH1-O 2.97Å; V329-T348 HydrophobicContact CB-CG2 4.43Å; V329-T348 HydrophobicContact CG1-CG2 4.19Å; F344-T348 HydrophobicContact CD2-CG2 3.95Å; F344-T348 HydrophobicContact CE2-CG2 3.68Å; F344-T348 HydrophobicContact CG-CG2 4.49Å; F344-T348 HydrophobicContact CZ-CG2 4.01Å; F344-T348 WeakPolarHBondContact O-CB 3.37Å; F344-T348 WeakPolarHBondContact O-CG2 3.37Å; F344-T348 PolarHBondContact O-N 2.94Å; F344-T348 PolarHBondContact O-OG1 2.78Å
349S98.9Very high98.8Very high0 Ų031 Ų310%016%0.157CC..Iπ-helixtrans-149.3-55.5-179.565.80000114.5G32 I34 V345 N351 A352 A353G32-S349 WeakPolarHBondContact O-CB 3.35Å; I34-S349 WeakPolarHBondContact CD1-O 3.34Å; V345-S349 PolarHBondContact O-N 3.48Å; V345-S349 PolarHBondContact O-OG 3.32Å; S349-N351 PolarHBondContact O-N 3.37Å; S349-A352 WeakPolarHBondContact O-CB 3.42Å; S349-A352 PolarHBondContact O-N 2.78Å; S349-A353 PolarHBondContact O-N 3.08Å
350T98.9Very high98.8Very high17 Ų1733.7 Ų33.710%0.10418%0.176CC..Iπ-helixtrans-65.2-41.9-165.7-56.90000112.7V345 A346 A353 K354 Y359 G363V345-T350 PolarHBondContact O-N 3.36Å; V345-T350 PolarHBondContact O-OG1 2.52Å; A346-T350 PolarHBondContact O-N 3.14Å; T350-A353 PolarHBondContact O-N 3.15Å; T350-K354 HydrophobicContact CG2-CD 4.08Å; T350-K354 WeakPolarHBondContact O-CG 3.37Å; T350-K354 PolarHBondContact O-N 3.49Å; T350-Y359 HydrophobicContact CG2-CD2 4.03Å; T350-Y359 HydrophobicContact CG2-CE2 3.73Å; T350-G363 PolarHBondContact OG1-O 3Å
351N98.9Very high98.8Very high31 Ų3135.1 Ų35.117%0.16618%0.176CC..Hα-helixtrans-68.3-42.6-179.1-69.7-16.3000110.9Q291 V292 A346 S349 A353 K354 I355Q291-N351 WeakPolarHBondContact O-CB 3.41Å; Q291-N351 PolarHBondContact O-ND2 2.94Å; V292-N351 HydrophobicContact CG2-CB 3.82Å; A346-N351 VanDerWaalsContact O-CB 3.23Å; A346-N351 WeakPolarHBondContact O-CB 3.41Å; A346-N351 PolarHBondContact O-N 3.02Å; A346-N351 PolarHBondContact O-ND2 3.47Å; S349-N351 PolarHBondContact O-N 3.37Å; N351-A353 VanDerWaalsContact C-N 3.34Å; N351-A353 PolarHBondContact O-N 3.45Å; N351-K354 PolarHBondContact O-N 3.47Å; N351-I355 WeakPolarHBondContact O-CB 3.25Å; N351-I355 VanDerWaalsContact O-CG1 3.31Å; N351-I355 WeakPolarHBondContact O-CG1 3.14Å; N351-I355 PolarHBondContact O-N 3.3Å
352A98.9Very high98.8Very high0 Ų031.3 Ų31.30%016%0.158CC..Hα-helixtrans-55.1-49.817100000111.1I34 V36 V292 S349 K354 I355 F356I34-A352 HydrophobicContact CB-CB 4.04Å; I34-A352 HydrophobicContact CD1-CB 4.49Å; I34-A352 HydrophobicContact CG2-CB 4.01Å; V36-A352 HydrophobicContact CG1-CB 3.34Å; V292-A352 HydrophobicContact CG1-CB 3.91Å; S349-A352 WeakPolarHBondContact O-CB 3.42Å; S349-A352 PolarHBondContact O-N 2.78Å; A352-K354 VanDerWaalsContact C-N 3.29Å; A352-K354 PolarHBondContact O-N 3.3Å; A352-I355 PolarHBondContact O-N 3.41Å; A352-F356 VanDerWaalsContact O-CD2 3.32Å; A352-F356 WeakPolarHBondContact O-CD2 3.42Å; A352-F356 PolarHBondContact O-N 2.85Å
353A98.9Very high98.8Very high0 Ų026.2 Ų26.20%013%0.132CC..Hα-helixtrans-60.7-37.4178.500000112.5I34 S349 T350 N351 N357 L358 Y359 K362I34-A353 HydrophobicContact CD1-CB 3.81Å; S349-A353 PolarHBondContact O-N 3.08Å; T350-A353 PolarHBondContact O-N 3.15Å; N351-A353 VanDerWaalsContact C-N 3.34Å; N351-A353 PolarHBondContact O-N 3.45Å; A353-N357 CarbonylContact O-C 3.53Å; A353-N357 PolarHBondContact O-N 3.14Å; A353-L358 HydrophobicContact CB-CB 4.15Å; A353-L358 WeakPolarHBondContact O-CA 3.5Å; A353-L358 PolarHBondContact O-N 3.16Å; A353-Y359 HydrophobicContact CB-CD2 4.46Å; A353-Y359 PolarHBondContact O-N 3.49Å; A353-K362 HydrophobicContact CB-CB 4.33Å; A353-K362 WeakPolarHBondContact CB-O 3.45Å
354K98.9Very high98.8Very high60 Ų6028.6 Ų28.626%0.26114%0.138SC..Hα-helixtrans-71.2-47.9176.8-73.8169.9-179.2167.50111.9T350 N351 A352 N357 Y359 S439 H441T350-K354 HydrophobicContact CG2-CD 4.08Å; T350-K354 WeakPolarHBondContact O-CG 3.37Å; T350-K354 PolarHBondContact O-N 3.49Å; N351-K354 PolarHBondContact O-N 3.47Å; A352-K354 VanDerWaalsContact C-N 3.29Å; A352-K354 PolarHBondContact O-N 3.3Å; K354-N357 PolarHBondContact O-N 3.44Å; K354-Y359 HydrophobicContact CG-CD1 4.17Å; K354-Y359 HydrophobicContact CG-CD2 4.12Å; K354-Y359 HydrophobicContact CG-CG 3.77Å; K354-S439 PolarHBondContact O-OG 2.94Å; K354-H441 HydrophobicContact CB-CB 3.91Å
355I98.9Very high98.8Very high3 Ų330.6 Ų30.62%0.01515%0.148CC..Hα-helixtrans-61.4-48.9-177.7-71.6164.3000110.1I158 Y215 Y239 V292 N351 A352 N357 S439 V442I158-I355 HydrophobicContact CD1-CG2 3.66Å; Y215-I355 HydrophobicContact CD2-CG2 4.2Å; Y215-I355 HydrophobicContact CE2-CD1 4.37Å; Y215-I355 HydrophobicContact CE2-CG2 4.32Å; Y239-I355 HydrophobicContact CD1-CD1 3.61Å; Y239-I355 HydrophobicContact CD1-CG1 4.13Å; Y239-I355 HydrophobicContact CE1-CD1 4Å; Y239-I355 HydrophobicContact CE1-CG1 4.03Å; Y239-I355 HydrophobicContact CG-CD1 4.03Å; V292-I355 HydrophobicContact CG2-CD1 3.55Å; N351-I355 WeakPolarHBondContact O-CB 3.25Å; N351-I355 VanDerWaalsContact O-CG1 3.31Å; N351-I355 WeakPolarHBondContact O-CG1 3.14Å; N351-I355 PolarHBondContact O-N 3.3Å; A352-I355 PolarHBondContact O-N 3.41Å; I355-N357 VanDerWaalsContact C-N 3.3Å; I355-N357 PolarHBondContact O-N 3.32Å; I355-S439 WeakPolarHBondContact O-CB 3.19Å; I355-S439 PolarHBondContact O-OG 3.05Å; I355-V442 HydrophobicContact CG2-CG2 4.33Å
356F98.8Very high98.8Very high0 Ų030.5 Ų30.50%015%0.15CC..THydrogen-bonded Turntrans-9012.9-177.3-58.9-63.8000114.2V36 I69 H102 N126 I158 Y215 A352 L358 R435V36-F356 HydrophobicContact CB-CE2 3.92Å; V36-F356 HydrophobicContact CG1-CD2 3.98Å; V36-F356 HydrophobicContact CG1-CE2 3.65Å; I69-F356 HydrophobicContact CD1-CB 4.14Å; I69-F356 HydrophobicContact CD1-CD2 3.72Å; I69-F356 HydrophobicContact CD1-CE2 4.34Å; I69-F356 HydrophobicContact CD1-CG 3.94Å; H102-F356 AromaticContact CE1-CD1 3.87Å; H102-F356 AromaticContact CE1-CE1 3.41Å; H102-F356 VanDerWaalsContact CE1-CE1 3.41Å; H102-F356 WeakPolarHBondContact CE1-CE1 3.45Å; H102-F356 AromaticContact CE1-CZ 3.63Å; N126-F356 PolarHBondContact ND2-O 3.23Å; I158-F356 HydrophobicContact CG2-CD1 4.18Å; I158-F356 HydrophobicContact CG2-CE1 3.76Å; Y215-F356 HydrophobicContact CD2-CZ 4.26Å; Y215-F356 HydrophobicContact CE2-CE2 4.26Å; Y215-F356 AromaticContact CE2-CZ 3.88Å; Y215-F356 HydrophobicContact CE2-CZ 3.88Å; A352-F356 VanDerWaalsContact O-CD2 3.32Å; A352-F356 WeakPolarHBondContact O-CD2 3.42Å; A352-F356 PolarHBondContact O-N 2.85Å; F356-L358 HydrophobicContact CB-CD1 4.48Å; F356-R435 WeakPolarHBondContact O-CB 3.47Å; F356-R435 WeakPolarHBondContact O-CD 3.39Å; F356-R435 WeakPolarHBondContact O-CG 3.26Å
357N98.8Very high98.7Very high51 Ų5133.9 Ų33.927%0.27317%0.168SC..THydrogen-bonded Turntrans6341.5171.2-150.618.2000116.1A353 K354 I355 K436 P437A353-N357 CarbonylContact O-C 3.53Å; A353-N357 PolarHBondContact O-N 3.14Å; K354-N357 PolarHBondContact O-N 3.44Å; I355-N357 VanDerWaalsContact C-N 3.3Å; I355-N357 PolarHBondContact O-N 3.32Å; N357-K436 WeakPolarHBondContact CB-O 3.49Å; N357-K436 PolarHBondContact ND2-O 3Å; N357-P437 PolarHBondContact ND2-O 2.57Å
358L98.8Very high98.7Very high8 Ų836 Ų364%0.04219%0.192CC..  trans-108.7-9.9176.5-59.4166.1000112.8M67 A353 F356 R361 K362 I433 R435M67-L358 HydrophobicContact CE-CD1 3.49Å; M67-L358 VanDerWaalsContact CE-CD1 3.49Å; M67-L358 HydrophobicContact CE-CD2 4.26Å; M67-L358 HydrophobicContact SD-CD1 3.76Å; A353-L358 HydrophobicContact CB-CB 4.15Å; A353-L358 WeakPolarHBondContact O-CA 3.5Å; A353-L358 PolarHBondContact O-N 3.16Å; F356-L358 HydrophobicContact CB-CD1 4.48Å; L358-R361 WeakPolarHBondContact O-CA 3.46Å; L358-R361 VanDerWaalsContact O-CB 3.31Å; L358-R361 WeakPolarHBondContact O-CB 3.49Å; L358-R361 PolarHBondContact O-N 3.27Å; L358-K362 HydrophobicContact CB-CB 4.12Å; L358-K362 HydrophobicContact CB-CG 4.33Å; L358-K362 PolarHBondContact O-N 3.21Å; L358-I433 HydrophobicContact CD2-CB 4.38Å; L358-I433 HydrophobicContact CD2-CG2 3.4Å; L358-I433 VanDerWaalsContact CD2-CG2 3.4Å; L358-R435 HydrophobicContact CD2-CG 3.69Å; L358-R435 HydrophobicContact CG-CG 4.12Å
359Y98.8Very high98.7Very high75 Ų7536.1 Ų36.129%0.29419%0.192SC..THydrogen-bonded Turntrans-80138.5-177.6-175-91.6000112.1T350 A353 K354 R364T350-Y359 HydrophobicContact CG2-CD2 4.03Å; T350-Y359 HydrophobicContact CG2-CE2 3.73Å; A353-Y359 HydrophobicContact CB-CD2 4.46Å; A353-Y359 PolarHBondContact O-N 3.49Å; K354-Y359 HydrophobicContact CG-CD1 4.17Å; K354-Y359 HydrophobicContact CG-CD2 4.12Å; K354-Y359 HydrophobicContact CG-CG 3.77Å; Y359-R364 HydrophobicContact CD2-CB 4.47Å; Y359-R364 HydrophobicContact CE2-CB 3.84Å; Y359-R364 HydrophobicContact CE2-CG 4.25Å; Y359-R364 WeakPolarHBondContact OH-CD 3.25Å; Y359-R364 PolarHBondContact OH-NH1 3.5Å
360P98.5Very high98.7Very high65 Ų6536.9 Ų36.942%0.42220%0.196SC..THydrogen-bonded Turncis-93.810.61.938.2-36.3000114.2K362 R364 S369P360-K362 PolarHBondContact O-N 3.14Å; P360-R364 HydrophobicContact CB-CB 4.27Å; P360-S369 WeakPolarHBondContact O-CB 3.26Å; P360-S369 PolarHBondContact O-OG 2.92Å
361R98.6Very high98.7Very high99 Ų9936 Ų3637%0.37419%0.191SC..THydrogen-bonded Turntrans-55.6-42178.3178.4-177.3173.4-175.1-2111.2L358 D370L358-R361 WeakPolarHBondContact O-CA 3.46Å; L358-R361 VanDerWaalsContact O-CB 3.31Å; L358-R361 WeakPolarHBondContact O-CB 3.49Å; L358-R361 PolarHBondContact O-N 3.27Å; R361-D370 HydrophobicContact CG-CB 4.5Å; R361-D370 WeakPolarHBondContact CG-OD2 3.08Å; R361-D370 IonicContact CZ-OD2 2.82Å; R361-D370 IonicContact NE-OD1 3.81Å; R361-D370 PolarHBondContact NE-OD1 2.86Å; R361-D370 IonicContact NE-OD2 3.13Å; R361-D370 PolarHBondContact NE-OD2 2.86Å; R361-D370 IonicContact NH2-OD2 3.55Å; R361-D370 PolarHBondContact NH2-OD2 2.8Å; R361-D370 WeakPolarHBondContact O-CB 3.4Å; R361-D370 PolarHBondContact O-N 3.4Å
362K98.9Very high98.7Very high5 Ų535 Ų352%0.02219%0.186CC..SBendtrans-114.4158.8172.1-63.5-92.2-171.2-101.40110.4I34 M67 D98 A353 L358 P360 R364 D370 D372I34-K362 HydrophobicContact CD1-CB 3.83Å; M67-K362 HydrophobicContact CB-CD 4.37Å; M67-K362 HydrophobicContact SD-CD 3.65Å; M67-K362 WeakPolarHBondContact SD-CE 3.32Å; M67-K362 HydrophobicContact SD-CG 3.91Å; D98-K362 IonicContact OD2-NZ 2.76Å; D98-K362 PolarHBondContact OD2-NZ 2.91Å; A353-K362 HydrophobicContact CB-CB 4.33Å; A353-K362 WeakPolarHBondContact CB-O 3.45Å; L358-K362 HydrophobicContact CB-CB 4.12Å; L358-K362 HydrophobicContact CB-CG 4.33Å; L358-K362 PolarHBondContact O-N 3.21Å; P360-K362 PolarHBondContact O-N 3.14Å; K362-R364 VanDerWaalsContact C-N 3.32Å; K362-R364 PolarHBondContact O-N 3.13Å; K362-D370 IonicContact NZ-OD2 3.61Å; K362-D370 PolarHBondContact NZ-OD2 3.26Å; K362-D372 WeakPolarHBondContact CD-OD2 3.41Å; K362-D372 VanDerWaalsContact CE-OD2 3.26Å; K362-D372 WeakPolarHBondContact CE-OD2 3.33Å; K362-D372 IonicContact NZ-OD2 3.65Å; K362-D372 PolarHBondContact NZ-OD2 3.19Å
363G98.4Very high98.7Very high6 Ų635.7 Ų35.76%0.06219%0.189CC..SBendtrans69.324.3173.600000114.6T350T350-G363 PolarHBondContact OG1-O 3Å
364R98.6Very high98.6Very high123 Ų12335.7 Ų35.746%0.46419%0.19SC..  trans-152.6138.4172.1-163.7-178.2-172.9158-6.8111.1Y359 P360 K362 A366 S369Y359-R364 HydrophobicContact CD2-CB 4.47Å; Y359-R364 HydrophobicContact CE2-CB 3.84Å; Y359-R364 HydrophobicContact CE2-CG 4.25Å; Y359-R364 WeakPolarHBondContact OH-CD 3.25Å; Y359-R364 PolarHBondContact OH-NH1 3.5Å; P360-R364 HydrophobicContact CB-CB 4.27Å; K362-R364 VanDerWaalsContact C-N 3.32Å; K362-R364 PolarHBondContact O-N 3.13Å; R364-A366 HydrophobicContact CG-CB 4.09Å; R364-A366 PolarHBondContact O-N 3.08Å; R364-S369 WeakPolarHBondContact O-CB 3.26Å; R364-S369 PolarHBondContact O-OG 3.2Å
365I98.6Very high98.6Very high42 Ų4233.5 Ų33.522%0.21518%0.181CC..  trans-86.4100.9163.9-51.7-172.9000107.5I6 L9 V29 P31 L373I6-I365 HydrophobicContact CD1-CB 4.46Å; I6-I365 HydrophobicContact CD1-CG2 3.97Å; L9-I365 HydrophobicContact CD1-CG2 4.05Å; L9-I365 HydrophobicContact CD2-CG2 4.4Å; V29-I365 HydrophobicContact CB-CD1 4.23Å; V29-I365 HydrophobicContact CG1-CD1 3.77Å; V29-I365 WeakPolarHBondContact O-CD1 3.46Å; P31-I365 HydrophobicContact CG-CG1 4.01Å; I365-L373 HydrophobicContact CD1-CD2 3.82Å; I365-L373 HydrophobicContact CG1-CD2 3.65Å
366A98.3Very high98.6Very high23 Ų2333.4 Ų33.419%0.1918%0.18CC..SBendtrans-152.1154.1176.100000110.1I6 R364 G368 S369I6-A366 WeakPolarHBondContact CB-O 3.35Å; R364-A366 HydrophobicContact CG-CB 4.09Å; R364-A366 PolarHBondContact O-N 3.08Å; A366-G368 PolarHBondContact O-N 3.5Å; A366-S369 VanDerWaalsContact O-CB 3.31Å; A366-S369 WeakPolarHBondContact O-CB 3.44Å; A366-S369 PolarHBondContact O-N 2.97Å; A366-S369 PolarHBondContact O-OG 3.13Å
367V98.4Very high98.5Very high95 Ų9534 Ų3458%0.57618%0.183SC*.THydrogen-bonded Turntrans-57128.4173.3175.90000109.6I6 K7 L9I6-V367 CarbonylContact O-C 3.59Å; I6-V367 WeakPolarHBondContact O-CA 3.44Å; K7-V367 WeakPolarHBondContact O-CG1 3.41Å; L9-V367 HydrophobicContact CB-CG2 4.3Å
368G98.2Very high98.5Very high53 Ų5333.2 Ų33.255%0.54618%0.181SC..THydrogen-bonded Turntrans90.1-9.4-17700000115.4I6 A366I6-G368 PolarHBondContact O-N 3.32Å; A366-G368 PolarHBondContact O-N 3.5Å
369S98.8Very high98.3Very high2 Ų238.9 Ų38.91%0.01421%0.211CC..SBendtrans-74.6154.7170.4-62.40000111.3V5 I6 P360 R364 A366V5-S369 WeakPolarHBondContact CG1-O 3.39Å; I6-S369 PolarHBondContact N-O 3.34Å; P360-S369 WeakPolarHBondContact O-CB 3.26Å; P360-S369 PolarHBondContact O-OG 2.92Å; R364-S369 WeakPolarHBondContact O-CB 3.26Å; R364-S369 PolarHBondContact O-OG 3.2Å; A366-S369 VanDerWaalsContact O-CB 3.31Å; A366-S369 WeakPolarHBondContact O-CB 3.44Å; A366-S369 PolarHBondContact O-N 2.97Å; A366-S369 PolarHBondContact O-OG 3.13Å
370D98.8Very high98.1Very high16 Ų1638.2 Ų38.29%0.08621%0.213CC..BIsolated β-bridgetrans-60.5140.6173.6-71.2-7.5000109.1R361 K362 D372 R431R361-D370 HydrophobicContact CG-CB 4.5Å; R361-D370 WeakPolarHBondContact CG-OD2 3.08Å; R361-D370 IonicContact CZ-OD2 2.82Å; R361-D370 IonicContact NE-OD1 3.81Å; R361-D370 PolarHBondContact NE-OD1 2.86Å; R361-D370 IonicContact NE-OD2 3.13Å; R361-D370 PolarHBondContact NE-OD2 2.86Å; R361-D370 IonicContact NH2-OD2 3.55Å; R361-D370 PolarHBondContact NH2-OD2 2.8Å; R361-D370 WeakPolarHBondContact O-CB 3.4Å; R361-D370 PolarHBondContact O-N 3.4Å; K362-D370 IonicContact NZ-OD2 3.61Å; K362-D370 PolarHBondContact NZ-OD2 3.26Å; D370-D372 PolarHBondContact O-N 3.25Å; D370-R431 IonicContact OD2-NH2 2.94Å
371A98.5Very high98.1Very high0 Ų038.6 Ų38.60%021%0.214CC..  trans-78.861.1178.500000111.1M1 G4 I6 I411 Q413 G414M1-A371 HydrophobicContact CB-CB 4.02Å; M1-A371 HydrophobicContact CG-CB 3.92Å; M1-A371 HydrophobicContact SD-CB 3.73Å; G4-A371 WeakPolarHBondContact O-CB 3.39Å; G4-A371 PolarHBondContact O-N 3.23Å; I6-A371 HydrophobicContact CG1-CB 4.37Å; A371-I411 WeakPolarHBondContact O-CG2 3.21Å; A371-Q413 PolarHBondContact O-N 3.3Å; A371-G414 PolarHBondContact O-N 3.34Å
372D98.8Very high97.9Very high8 Ų837.7 Ų37.74%0.04321%0.212CC..  trans-105.595.7173.7-70.6-27.1000108.7G32 T66 K362 D370 I411 S412 Q413G32-D372 PolarHBondContact N-O 3.1Å; T66-D372 HydrophobicContact CG2-CB 4.41Å; T66-D372 WeakPolarHBondContact OG1-CB 3.41Å; K362-D372 WeakPolarHBondContact CD-OD2 3.41Å; K362-D372 VanDerWaalsContact CE-OD2 3.26Å; K362-D372 WeakPolarHBondContact CE-OD2 3.33Å; K362-D372 IonicContact NZ-OD2 3.65Å; K362-D372 PolarHBondContact NZ-OD2 3.19Å; D370-D372 PolarHBondContact O-N 3.25Å; D372-I411 CarbonylContact C-O 3.53Å; D372-I411 VanDerWaalsContact CA-O 3.29Å; D372-I411 WeakPolarHBondContact CA-O 3.47Å; D372-S412 WeakPolarHBondContact OD1-CA 3.34Å; D372-Q413 PolarHBondContact OD1-N 3.23Å
373L98.8Very high97.9Very high15 Ų1542.2 Ų42.28%0.07924%0.236CC..EExtended strand (participates in β ladder)trans-131151.2-167.8-60.2179.9000111.1M1 I6 V29 M30 I365 I411M1-L373 HydrophobicContact CE-CD1 4.5Å; M1-L373 HydrophobicContact CG-CD1 4.48Å; M1-L373 HydrophobicContact SD-CD1 3.41Å; M1-L373 WeakPolarHBondContact SD-CD1 3.39Å; M1-L373 HydrophobicContact SD-CG 4.32Å; I6-L373 HydrophobicContact CD1-CD2 4.11Å; V29-L373 HydrophobicContact CG1-CD1 4.29Å; M30-L373 WeakPolarHBondContact O-CA 3.46Å; I365-L373 HydrophobicContact CD1-CD2 3.82Å; I365-L373 HydrophobicContact CG1-CD2 3.65Å; L373-I411 HydrophobicContact CB-CB 4.28Å; L373-I411 HydrophobicContact CB-CD1 4.43Å; L373-I411 PolarHBondContact N-O 3.16Å; L373-I411 PolarHBondContact O-N 3.09Å
374V98.8Very high97.9Very high1 Ų142.2 Ų42.21%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-124.3128.7171179.80000108.2M30 G64 W376 P407 V409 V410M30-V374 PolarHBondContact N-O 3.16Å; M30-V374 PolarHBondContact O-N 2.88Å; G64-V374 WeakPolarHBondContact O-CG2 3.48Å; V374-W376 HydrophobicContact CG1-CB 4.41Å; V374-W376 HydrophobicContact CG1-CE3 3.93Å; V374-P407 HydrophobicContact CG1-CB 3.8Å; V374-V409 WeakPolarHBondContact CA-O 3.46Å; V374-V410 HydrophobicContact CG1-CG2 4.42Å; V374-V410 HydrophobicContact CG2-CG1 4.36Å; V374-V410 HydrophobicContact CG2-CG2 4.28Å
375L98.4Very high97.9Very high14 Ų1437.3 Ų37.37%0.07322%0.219CC..EExtended strand (participates in β ladder)trans-87.1110.1161.4-171.666.5000107.7I22 E23 A24 R27 M28 V29 L408 V409I22-L375 HydrophobicContact CG2-CD2 4.12Å; E23-L375 WeakPolarHBondContact O-CD2 3.34Å; A24-L375 HydrophobicContact CB-CD1 3.46Å; A24-L375 VanDerWaalsContact CB-CD1 3.46Å; A24-L375 HydrophobicContact CB-CD2 4.44Å; R27-L375 HydrophobicContact CB-CD1 3.56Å; R27-L375 HydrophobicContact CB-CG 3.95Å; R27-L375 HydrophobicContact CG-CD1 4.43Å; R27-L375 HydrophobicContact CG-CG 4.41Å; M28-L375 WeakPolarHBondContact O-CA 3.19Å; V29-L375 HydrophobicContact CG2-CD1 3.94Å; L375-L408 PolarHBondContact O-N 3.26Å; L375-V409 HydrophobicContact CB-CB 3.85Å; L375-V409 HydrophobicContact CB-CG2 4.38Å; L375-V409 HydrophobicContact CD2-CB 4.43Å; L375-V409 HydrophobicContact CD2-CG2 4.09Å; L375-V409 PolarHBondContact N-O 2.72Å; L375-V409 PolarHBondContact O-N 3.41Å
376W98.4Very high97.8Very high0 Ų036.3 Ų36.30%022%0.217CC..EExtended strand (participates in β ladder)trans-104.6133.2-173.6-170.4-93.4000110.9M28 M30 M326 W330 F344 V374 G405 G406 P407M28-W376 HydrophobicContact CB-CB 4.32Å; M28-W376 PolarHBondContact N-O 2.96Å; M28-W376 PolarHBondContact O-N 3.36Å; M30-W376 HydrophobicContact CE-CB 3.23Å; M30-W376 HydrophobicContact CE-CD2 3.84Å; M30-W376 HydrophobicContact CE-CE3 4.48Å; M30-W376 HydrophobicContact CE-CG 3.25Å; M326-W376 HydrophobicContact CB-CH2 3.79Å; M326-W376 HydrophobicContact CB-CZ3 3.87Å; M326-W376 HydrophobicContact CE-CZ3 4.29Å; W330-W376 HydrophobicContact CB-CZ2 3.66Å; W330-W376 AromaticContact CD2-CE2 3.83Å; W330-W376 HydrophobicContact CD2-CZ2 4.03Å; W330-W376 AromaticContact CD2-NE1 3.21Å; W330-W376 AromaticContact CE2-NE1 3.41Å; W330-W376 AromaticContact CE3-CE2 3.95Å; W330-W376 HydrophobicContact CE3-CZ2 4.32Å; W330-W376 AromaticContact CE3-NE1 3.43Å; W330-W376 AromaticContact CG-CZ2 3.72Å; W330-W376 HydrophobicContact CG-CZ2 3.72Å; W330-W376 AromaticContact CG-NE1 3.73Å; W330-W376 AromaticContact CZ2-NE1 3.86Å; W330-W376 AromaticContact CZ3-NE1 3.86Å; W330-W376 AromaticContact NE1-NE1 3.89Å; F344-W376 HydrophobicContact CZ-CH2 4.47Å; F344-W376 HydrophobicContact CZ-CZ2 4.45Å; V374-W376 HydrophobicContact CG1-CB 4.41Å; V374-W376 HydrophobicContact CG1-CE3 3.93Å; W376-G405 WeakPolarHBondContact CZ2-O 3.47Å; W376-G406 VanDerWaalsContact CE3-C 3.48Å; W376-P407 HydrophobicContact CE3-CB 4.39Å; W376-P407 HydrophobicContact CZ3-CB 4.44Å
377D97.6Very high97.7Very high13 Ų1344.8 Ų44.87%0.0725%0.25CC..EExtended strand (participates in β ladder)trans-101.9110.4171.9-170.6-15.2000109.4R27 D379 L380 G405 G406 L408R27-D377 VanDerWaalsContact CZ-CG 3.43Å; R27-D377 IonicContact CZ-OD1 3.75Å; R27-D377 IonicContact CZ-OD2 2.89Å; R27-D377 VanDerWaalsContact NE-CG 3.3Å; R27-D377 IonicContact NE-OD1 3.77Å; R27-D377 IonicContact NE-OD2 3.94Å; R27-D377 PolarHBondContact NE-OD2 2.62Å; R27-D377 VanDerWaalsContact NE-OD2 3.1Å; R27-D377 IonicContact NH1-OD1 2.69Å; R27-D377 IonicContact NH2-OD1 2.86Å; R27-D377 IonicContact NH2-OD2 3.76Å; R27-D377 PolarHBondContact NH2-OD2 3.03Å; D377-D379 PolarHBondContact O-N 3.23Å; D377-D379 PolarHBondContact OD1-N 3.38Å; D377-L380 HydrophobicContact CB-CB 3.87Å; D377-L380 PolarHBondContact OD1-N 3.25Å; D377-G405 VanDerWaalsContact O-CA 3.26Å; D377-G405 WeakPolarHBondContact O-CA 3.33Å; D377-G406 PolarHBondContact N-O 3.2Å; D377-G406 PolarHBondContact O-N 2.67Å; D377-L408 HydrophobicContact CB-CD1 3.64Å; D377-L408 HydrophobicContact CB-CD2 4.15Å; D377-L408 HydrophobicContact CB-CG 3.64Å
378P96.9Very high97.6Very high34 Ų3443.3 Ų43.322%0.22124%0.243CC..EExtended strand (participates in β ladder)trans-68.8-20.6-178.431.3-37000112.9W330W330-P378 HydrophobicContact CH2-CB 4.41Å; W330-P378 HydrophobicContact CZ2-CB 3.56Å
379D95.3Very high97.5Very high127 Ų12741.9 Ų41.968%0.67922%0.223SC*.EExtended strand (participates in β ladder)trans-100.1-5-174.7-61.8-45000112.8D377 T381D377-D379 PolarHBondContact O-N 3.23Å; D377-D379 PolarHBondContact OD1-N 3.38Å; D379-T381 PolarHBondContact O-N 2.75Å
380L95.7Very high97.4Very high62 Ų6243.4 Ų43.433%0.32523%0.23SC..EExtended strand (participates in β ladder)trans-65.7121.2177.4178.966.3000110.2D377 R404 G405 L408D377-L380 HydrophobicContact CB-CB 3.87Å; D377-L380 PolarHBondContact OD1-N 3.25Å; L380-R404 CarbonylContact O-C 3.49Å; L380-R404 WeakPolarHBondContact O-CA 3.45Å; L380-G405 PolarHBondContact O-N 3.18Å; L380-L408 HydrophobicContact CD2-CD2 4.28Å
381T97.1Very high97.3Very high72 Ų7243.3 Ų43.344%0.44223%0.23SC..EExtended strand (participates in β ladder)trans-101.2130.6173.9-56.30000110.6D379 E402 V403D379-T381 PolarHBondContact O-N 2.75Å; T381-E402 HydrophobicContact CG2-CG 3.44Å; T381-E402 VanDerWaalsContact CG2-CG 3.44Å; T381-V403 WeakPolarHBondContact CA-O 3.07Å
382K95.8Very high97.3Very high80 Ų8045.3 Ų45.335%0.34825%0.246SC..EExtended strand (participates in β ladder)trans-131.5139.6175.3-179.6-179.5176.5-175.10109.4E323 E402 V403E323-K382 IonicContact OE1-NZ 3.7Å; E323-K382 PolarHBondContact OE1-NZ 2.97Å; K382-E402 WeakPolarHBondContact O-CA 3.42Å; K382-V403 HydrophobicContact CB-CG2 4.26Å; K382-V403 PolarHBondContact N-O 3.06Å; K382-V403 WeakPolarHBondContact O-CG2 3.32Å; K382-V403 PolarHBondContact O-N 3.44Å
383I98.1Very high97.1Very high100 Ų10045.4 Ų45.451%0.51325%0.247SC..EExtended strand (participates in β ladder)trans-93.3121.6164.3-61.7173.1000107.1S385 T401 E402I383-S385 PolarHBondContact O-N 3.31Å; I383-T401 WeakPolarHBondContact CA-O 3.3Å; I383-E402 HydrophobicContact CG1-CB 4.41Å
384I98.3Very high97Very high6 Ų649.4 Ų49.43%0.03127%0.266CS..  trans-69.5127.6177.1-62169000108.8E324 L328 N396 F398 G400 T401 V403E324-I384 HydrophobicContact CB-CD1 4.24Å; E324-I384 HydrophobicContact CG-CD1 3.93Å; E324-I384 HydrophobicContact CG-CG1 4.39Å; E324-I384 HydrophobicContact CG-CG2 3.97Å; L328-I384 HydrophobicContact CD2-CD1 4.17Å; L328-I384 HydrophobicContact CG-CD1 4.39Å; I384-N396 WeakPolarHBondContact CG2-ND2 3.3Å; I384-F398 HydrophobicContact CB-CB 4.38Å; I384-F398 HydrophobicContact CD1-CB 3.9Å; I384-F398 HydrophobicContact CG2-CB 3.99Å; I384-G400 PolarHBondContact O-N 2.72Å; I384-T401 PolarHBondContact N-O 2.57Å; I384-V403 HydrophobicContact CD1-CG1 3.8Å; I384-V403 HydrophobicContact CD1-CG2 4.19Å; I384-V403 HydrophobicContact CG1-CG1 4.46Å; I384-V403 HydrophobicContact CG1-CG2 4.11Å
385S98Very high96.7Very high20 Ų2053 Ų5314%0.1428%0.279CS..  trans-150.5139.4176.6-177.30000112.1I383 K387 S388 H389 E399I383-S385 PolarHBondContact O-N 3.31Å; S385-K387 PolarHBondContact O-N 3.47Å; S385-K387 VanDerWaalsContact O-N 3.14Å; S385-K387 PolarHBondContact OG-N 3.38Å; S385-S388 PolarHBondContact O-N 2.81Å; S385-S388 PolarHBondContact O-OG 2.93Å; S385-H389 PolarHBondContact O-N 3.33Å; S385-E399 WeakPolarHBondContact CA-OE1 3.42Å; S385-E399 WeakPolarHBondContact CA-OE2 3.18Å; S385-E399 VanDerWaalsContact CB-OE1 3.31Å; S385-E399 WeakPolarHBondContact CB-OE1 3.4Å; S385-E399 PolarHBondContact OG-OE1 2.98Å
386A97.3Very high96.7Very high22 Ų2252.5 Ų52.518%0.18228%0.277CS..THydrogen-bonded Turntrans-57.4-22.4171.500000113S388 H389 E394 N396 E399A386-S388 PolarHBondContact O-N 3.32Å; A386-H389 PolarHBondContact O-CD2 3.04Å; A386-H389 PolarHBondContact O-NE2 3.02Å; A386-H389 VanDerWaalsContact O-NE2 3.1Å; A386-E394 WeakPolarHBondContact CB-O 3.41Å; A386-N396 HydrophobicContact CB-CB 4.19Å; A386-E399 PolarHBondContact N-OE2 2.67Å
387K97.1Very high96.7Very high200 Ų20052.9 Ų52.987%0.8728%0.279SS*.THydrogen-bonded Turntrans-70-18.7174.4-66.2-178.5-179.7176.80113.8S385S385-K387 PolarHBondContact O-N 3.47Å; S385-K387 VanDerWaalsContact O-N 3.14Å; S385-K387 PolarHBondContact OG-N 3.38Å
388S94.9Very high96.8Very high64 Ų6452.3 Ų52.345%0.44828%0.276SS..THydrogen-bonded Turntrans-126.5-8.6-171.461.70000114.2S385 A386S385-S388 PolarHBondContact O-N 2.81Å; S385-S388 PolarHBondContact O-OG 2.93Å; A386-S388 PolarHBondContact O-N 3.32Å
389H96.8Very high96.8Very high24 Ų2455.2 Ų55.211%0.11129%0.287CS..SBendtrans-70.6165.8176.270.1179.7000111.3S385 A386 L391 V393 N396S385-H389 PolarHBondContact O-N 3.33Å; A386-H389 PolarHBondContact O-CD2 3.04Å; A386-H389 PolarHBondContact O-NE2 3.02Å; A386-H389 VanDerWaalsContact O-NE2 3.1Å; H389-L391 HydrophobicContact CB-CG 4.37Å; H389-V393 PolarHBondContact CE1-O 3.15Å; H389-V393 PolarHBondContact NE2-O 3.41Å; H389-V393 VanDerWaalsContact NE2-O 3.07Å; H389-N396 PolarHBondContact ND1-ND2 3.36Å
390N97Very high97Very high33 Ų3351.6 Ų51.618%0.17628%0.279CS..SBendtrans-104.239.1177.2-66.1-85.9000110.4Q55 R58 A59 A62 E323 L423Q55-N390 VanDerWaalsContact NE2-C 3.35Å; Q55-N390 PolarHBondContact NE2-O 2.99Å; R58-N390 PolarHBondContact NH1-OD1 3.33Å; R58-N390 PolarHBondContact NH2-OD1 2.96Å; A59-N390 HydrophobicContact CB-CB 4.16Å; A59-N390 WeakPolarHBondContact CB-O 3.48Å; A62-N390 HydrophobicContact CB-CB 4.42Å; A62-N390 WeakPolarHBondContact CB-ND2 3.43Å; E323-N390 WeakPolarHBondContact OE2-CA 3.31Å; E323-N390 WeakPolarHBondContact OE2-CB 3.2Å; E323-N390 PolarHBondContact OE2-N 2.96Å; E323-N390 PolarHBondContact OE2-ND2 3.28Å; N390-L423 WeakPolarHBondContact OD1-CD1 3.41Å
391L97Very high97.1Very high14 Ų1450.4 Ų50.47%0.07327%0.274CS..SBendtrans-111161.7177.3-52.5178.3000110.5A59 N320 T322 H389 V393A59-L391 HydrophobicContact CB-CD2 3.42Å; A59-L391 VanDerWaalsContact CB-CD2 3.42Å; N320-L391 HydrophobicContact CB-CD1 3.44Å; N320-L391 VanDerWaalsContact CB-CD1 3.44Å; T322-L391 HydrophobicContact CG2-CD2 4.49Å; H389-L391 HydrophobicContact CB-CG 4.37Å; L391-V393 HydrophobicContact CB-CG2 4.19Å
392A96.6Very high97.1Very high42 Ų4251.9 Ų51.935%0.34728%0.277SS..SBendtrans-80.9-16.3178.500000113.8A50 D51 Q55 H301A50-A392 HydrophobicContact CB-CB 4.31Å; D51-A392 WeakPolarHBondContact OD1-CB 3.28Å; D51-A392 PolarHBondContact OD1-N 3.04Å; Q55-A392 HydrophobicContact CG-CB 4.35Å; H301-A392 PolarHBondContact CE1-O 3.38Å
393V96.3Very high97.2Very high10 Ų1048.1 Ų48.16%0.06126%0.26CS..SBendtrans-92.5153.9-169.6-70.10000114.5A50 T299 H389 L391 Y395A50-V393 HydrophobicContact CB-CG1 3.54Å; T299-V393 HydrophobicContact CG2-CG1 4.48Å; T299-V393 HydrophobicContact CG2-CG2 4.1Å; H389-V393 PolarHBondContact CE1-O 3.15Å; H389-V393 PolarHBondContact NE2-O 3.41Å; H389-V393 VanDerWaalsContact NE2-O 3.07Å; L391-V393 HydrophobicContact CB-CG2 4.19Å; V393-Y395 WeakPolarHBondContact CG2-O 3.45Å; V393-Y395 PolarHBondContact O-N 3.25Å
394E95.1Very high97.2Very high99 Ų9949.2 Ų49.246%0.46326%0.258SS..SBendtrans-79.8-17.7-174.8-47.682.7-170.900114H301 T302 A386H301-E394 IonicContact CE1-OE1 3.7Å; H301-E394 IonicContact CG-OE1 2.72Å; H301-E394 IonicContact ND1-OE1 3.89Å; H301-E394 PolarHBondContact ND1-OE1 3.1Å; H301-E394 IonicContact ND1-OE2 3.51Å; T302-E394 PolarHBondContact N-OE2 3.05Å; T302-E394 PolarHBondContact OG1-OE2 3.49Å; A386-E394 WeakPolarHBondContact CB-O 3.41Å
395Y94.1Very high97.2Very high76 Ų7649 Ų4930%0.29826%0.257SS..  trans-115.9138.9-178.4-82.4-88000111.1N258 A260 K261 A264 V393N258-Y395 PolarHBondContact ND2-OH 2.97Å; A260-Y395 HydrophobicContact CB-CE2 4.05Å; K261-Y395 HydrophobicContact CB-CE1 4.07Å; A264-Y395 HydrophobicContact CB-CG 4.15Å; V393-Y395 WeakPolarHBondContact CG2-O 3.45Å; V393-Y395 PolarHBondContact O-N 3.25Å
396N98.3Very high97.2Very high4 Ų448.2 Ų48.22%0.02125%0.252CS..  trans-112.8125.5165.3-164.4-45.4000108.3N320 E324 I384 A386 H389 F398 E399N320-N396 PolarHBondContact ND2-ND2 3Å; N320-N396 PolarHBondContact ND2-OD1 3.24Å; N320-N396 WeakPolarHBondContact OD1-CA 3.45Å; E324-N396 PolarHBondContact OE1-ND2 2.98Å; I384-N396 WeakPolarHBondContact CG2-ND2 3.3Å; A386-N396 HydrophobicContact CB-CB 4.19Å; H389-N396 PolarHBondContact ND1-ND2 3.36Å; N396-F398 PolarHBondContact O-N 2.68Å; N396-F398 VanDerWaalsContact O-N 3.11Å; N396-F398 WeakPolarHBondContact OD1-CD2 3.5Å; N396-F398 PolarHBondContact OD1-N 2.88Å; N396-E399 WeakPolarHBondContact O-CB 3.19Å; N396-E399 PolarHBondContact O-N 3.05Å; N396-E399 VanDerWaalsContact O-N 3.08Å
397I98.5Very high97.2Very high8 Ų848.2 Ų48.24%0.04125%0.25CS..THydrogen-bonded Turntrans-65.5-14.3-179.764.3161.7000112.9A245 T249 A264 F265 T319 N320A245-I397 HydrophobicContact CB-CD1 3.59Å; T249-I397 HydrophobicContact CG2-CD1 4.07Å; A264-I397 WeakPolarHBondContact O-CG2 3.45Å; F265-I397 HydrophobicContact CD1-CB 4.05Å; F265-I397 HydrophobicContact CD1-CG2 4.13Å; F265-I397 HydrophobicContact CD2-CG2 4.35Å; F265-I397 HydrophobicContact CE1-CB 3.64Å; F265-I397 HydrophobicContact CE1-CG2 4.14Å; F265-I397 WeakPolarHBondContact CE1-O 3.44Å; F265-I397 HydrophobicContact CE2-CB 4.45Å; F265-I397 HydrophobicContact CE2-CG2 4.37Å; F265-I397 HydrophobicContact CG-CG2 4.24Å; F265-I397 HydrophobicContact CZ-CB 3.87Å; F265-I397 HydrophobicContact CZ-CG2 4.27Å; F265-I397 VanDerWaalsContact CZ-O 3.26Å; F265-I397 WeakPolarHBondContact CZ-O 3.34Å; T319-I397 HydrophobicContact CG2-CD1 4.18Å; T319-I397 HydrophobicContact CG2-CG2 4.07Å; N320-I397 PolarHBondContact OD1-N 2.61Å
398F98.6Very high97.2Very high2 Ų241.2 Ų41.21%0.00922%0.222CC..THydrogen-bonded Turntrans-103.616.2176.7-46.4-70.6000113.1S244 T249 E324 L328 I384 N396 G400 T401S244-F398 WeakPolarHBondContact O-CE1 3.42Å; S244-F398 WeakPolarHBondContact O-CZ 3.11Å; T249-F398 HydrophobicContact CG2-CD1 4.41Å; T249-F398 HydrophobicContact CG2-CE1 3.99Å; E324-F398 HydrophobicContact CB-CD2 3.97Å; E324-F398 HydrophobicContact CB-CE2 4.17Å; E324-F398 HydrophobicContact CG-CD2 3.88Å; E324-F398 HydrophobicContact CG-CE2 4.44Å; L328-F398 HydrophobicContact CD1-CD1 3.77Å; L328-F398 HydrophobicContact CD1-CD2 3.82Å; L328-F398 HydrophobicContact CD1-CE1 3.55Å; L328-F398 HydrophobicContact CD1-CE2 3.6Å; L328-F398 HydrophobicContact CD1-CG 3.9Å; L328-F398 HydrophobicContact CD1-CZ 3.46Å; L328-F398 VanDerWaalsContact CD1-CZ 3.46Å; L328-F398 HydrophobicContact CD2-CD1 4.18Å; L328-F398 HydrophobicContact CD2-CG 4.45Å; I384-F398 HydrophobicContact CB-CB 4.38Å; I384-F398 HydrophobicContact CD1-CB 3.9Å; I384-F398 HydrophobicContact CG2-CB 3.99Å; N396-F398 PolarHBondContact O-N 2.68Å; N396-F398 VanDerWaalsContact O-N 3.11Å; N396-F398 WeakPolarHBondContact OD1-CD2 3.5Å; N396-F398 PolarHBondContact OD1-N 2.88Å; F398-G400 PolarHBondContact O-N 3.06Å; F398-T401 WeakPolarHBondContact O-CB 3.46Å; F398-T401 PolarHBondContact O-N 3.18Å; F398-T401 PolarHBondContact O-OG1 3.08Å
399E98.1Very high97.3Very high95 Ų9538.7 Ų38.744%0.44420%0.204SC..THydrogen-bonded Turntrans-48.2126.5-177.3-171.269.1-150.200112.8S385 A386 N396 T401S385-E399 WeakPolarHBondContact CA-OE1 3.42Å; S385-E399 WeakPolarHBondContact CA-OE2 3.18Å; S385-E399 VanDerWaalsContact CB-OE1 3.31Å; S385-E399 WeakPolarHBondContact CB-OE1 3.4Å; S385-E399 PolarHBondContact OG-OE1 2.98Å; A386-E399 PolarHBondContact N-OE2 2.67Å; N396-E399 WeakPolarHBondContact O-CB 3.19Å; N396-E399 PolarHBondContact O-N 3.05Å; N396-E399 VanDerWaalsContact O-N 3.08Å; E399-T401 VanDerWaalsContact C-N 3.27Å; E399-T401 PolarHBondContact O-N 3.3Å
400G97.9Very high97.4Very high51 Ų5137.5 Ų37.553%0.52620%0.199SC..THydrogen-bonded Turntrans80.70.4178.100000114.8I384 F398 E402I384-G400 PolarHBondContact O-N 2.72Å; F398-G400 PolarHBondContact O-N 3.06Å; G400-E402 PolarHBondContact O-N 2.87Å
401T97.9Very high97.5Very high36 Ų3636.5 Ų36.522%0.22119%0.193CC..  trans-73.2120.2176-53.40000109.8I383 I384 F398 E399 V403I383-T401 WeakPolarHBondContact CA-O 3.3Å; I384-T401 PolarHBondContact N-O 2.57Å; F398-T401 WeakPolarHBondContact O-CB 3.46Å; F398-T401 PolarHBondContact O-N 3.18Å; F398-T401 PolarHBondContact O-OG1 3.08Å; E399-T401 VanDerWaalsContact C-N 3.27Å; E399-T401 PolarHBondContact O-N 3.3Å; T401-V403 HydrophobicContact CG2-CG1 4.05Å
402E98.3Very high97.6Very high104 Ų10436 Ų3649%0.48619%0.191SC..EExtended strand (participates in β ladder)trans-76.6126.4166.6-172.6179.3108.900109T381 K382 I383 G400T381-E402 HydrophobicContact CG2-CG 3.44Å; T381-E402 VanDerWaalsContact CG2-CG 3.44Å; K382-E402 WeakPolarHBondContact O-CA 3.42Å; I383-E402 HydrophobicContact CG1-CB 4.41Å; G400-E402 PolarHBondContact O-N 2.87Å
403V98Very high97.6Very high1 Ų135.5 Ų35.51%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-123.4142.9174.6-65.20000109.6L328 D331 T381 K382 I384 T401L328-V403 HydrophobicContact CD2-CG1 4.08Å; D331-V403 HydrophobicContact CB-CB 4.03Å; D331-V403 HydrophobicContact CB-CG1 4.15Å; T381-V403 WeakPolarHBondContact CA-O 3.07Å; K382-V403 HydrophobicContact CB-CG2 4.26Å; K382-V403 PolarHBondContact N-O 3.06Å; K382-V403 WeakPolarHBondContact O-CG2 3.32Å; K382-V403 PolarHBondContact O-N 3.44Å; I384-V403 HydrophobicContact CD1-CG1 3.8Å; I384-V403 HydrophobicContact CD1-CG2 4.19Å; I384-V403 HydrophobicContact CG1-CG1 4.46Å; I384-V403 HydrophobicContact CG1-CG2 4.11Å; T401-V403 HydrophobicContact CG2-CG1 4.05Å
404R98Very high97.6Very high122 Ų12236.5 Ų36.546%0.4619%0.193SC..EExtended strand (participates in β ladder)trans-102.6151.3168.4-57.6-177.7-153.61687.4110.3D331 V335 L380D331-R404 PolarHBondContact OD1-N 2.76Å; V335-R404 HydrophobicContact CG2-CB 4.12Å; L380-R404 CarbonylContact O-C 3.49Å; L380-R404 WeakPolarHBondContact O-CA 3.45Å
405G97.5Very high97.7Very high2 Ų238.3 Ų38.32%0.02120%0.2CC..EExtended strand (participates in β ladder)trans85.9126.3-175.300000112.4S327 W376 D377 L380S327-G405 WeakPolarHBondContact CB-O 3.22Å; S327-G405 PolarHBondContact OG-O 3.31Å; W376-G405 WeakPolarHBondContact CZ2-O 3.47Å; D377-G405 VanDerWaalsContact O-CA 3.26Å; D377-G405 WeakPolarHBondContact O-CA 3.33Å; L380-G405 PolarHBondContact O-N 3.18Å
406G97.1Very high97.9Very high3 Ų336.4 Ų36.43%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-164.1168.6173.600000115W376 D377W376-G406 VanDerWaalsContact CE3-C 3.48Å; D377-G406 PolarHBondContact N-O 3.2Å; D377-G406 PolarHBondContact O-N 2.67Å
407P97.8Very high97.9Very high22 Ų2236.6 Ų36.614%0.14320%0.196CC..EExtended strand (participates in β ladder)trans-76.2127.1178.431.9-33.9000110.9A62 V374 W376 V410 L418A62-P407 WeakPolarHBondContact O-CG 3.06Å; V374-P407 HydrophobicContact CG1-CB 3.8Å; W376-P407 HydrophobicContact CE3-CB 4.39Å; W376-P407 HydrophobicContact CZ3-CB 4.44Å; P407-V410 HydrophobicContact CB-CG2 3.72Å; P407-L418 HydrophobicContact CB-CD2 4.13Å; P407-L418 HydrophobicContact CG-CD2 4.11Å
408L96.8Very high97.9Very high54 Ų5436.8 Ų36.828%0.28320%0.196SC..EExtended strand (participates in β ladder)trans-91.6-42.2167.9-69.8-178.1000111.8R27 L375 D377 L380R27-L408 HydrophobicContact CG-CD1 4.22Å; L375-L408 PolarHBondContact O-N 3.26Å; D377-L408 HydrophobicContact CB-CD1 3.64Å; D377-L408 HydrophobicContact CB-CD2 4.15Å; D377-L408 HydrophobicContact CB-CG 3.64Å; L380-L408 HydrophobicContact CD2-CD2 4.28Å
409V98.4Very high97.7Very high10 Ų1038.9 Ų38.96%0.06121%0.207CC..EExtended strand (participates in β ladder)trans-133.3133.4178.3-1760000108.6I22 V374 L375 I411 I416 L418 E419I22-V409 HydrophobicContact CD1-CG1 4.33Å; I22-V409 HydrophobicContact CG2-CG1 4.5Å; I22-V409 HydrophobicContact CG2-CG2 4.14Å; V374-V409 WeakPolarHBondContact CA-O 3.46Å; L375-V409 HydrophobicContact CB-CB 3.85Å; L375-V409 HydrophobicContact CB-CG2 4.38Å; L375-V409 HydrophobicContact CD2-CB 4.43Å; L375-V409 HydrophobicContact CD2-CG2 4.09Å; L375-V409 PolarHBondContact N-O 2.72Å; L375-V409 PolarHBondContact O-N 3.41Å; V409-I411 HydrophobicContact CG1-CG1 4.13Å; V409-I416 HydrophobicContact CG1-CG1 4.45Å; V409-I416 HydrophobicContact CG1-CG2 3.97Å; V409-L418 VanDerWaalsContact CA-O 3.24Å; V409-L418 WeakPolarHBondContact CA-O 3.31Å; V409-L418 WeakPolarHBondContact CG1-O 3.46Å; V409-E419 HydrophobicContact CG2-CG 4.38Å
410V98.8Very high97.2Very high0 Ų042.9 Ų42.90%023%0.225CC..EExtended strand (participates in β ladder)trans-121.5130173.7-176.90000108.3L61 T66 V374 P407 V417 L418L61-V410 HydrophobicContact CD2-CG1 4.01Å; L61-V410 WeakPolarHBondContact O-CG2 3.36Å; T66-V410 HydrophobicContact CG2-CG1 3.68Å; V374-V410 HydrophobicContact CG1-CG2 4.42Å; V374-V410 HydrophobicContact CG2-CG1 4.36Å; V374-V410 HydrophobicContact CG2-CG2 4.28Å; P407-V410 HydrophobicContact CB-CG2 3.72Å; V410-V417 HydrophobicContact CB-CG2 4.15Å; V410-V417 HydrophobicContact CG1-CG2 3.94Å; V410-V417 WeakPolarHBondContact O-CG2 3.4Å; V410-V417 PolarHBondContact O-N 3.06Å; V410-L418 HydrophobicContact CB-CB 3.75Å; V410-L418 HydrophobicContact CB-CD2 4.5Å; V410-L418 HydrophobicContact CG2-CB 3.91Å; V410-L418 HydrophobicContact CG2-CD2 3.72Å; V410-L418 HydrophobicContact CG2-CG 4.44Å; V410-L418 PolarHBondContact N-O 3.39Å; V410-L418 PolarHBondContact O-N 3.1Å
411I98.6Very high96.8Very high11 Ų1143.8 Ų43.86%0.05624%0.235CC..EExtended strand (participates in β ladder)trans-117.4121.5-179.1-51.8-179.1000106.6M1 I22 A371 D372 L373 V409 K415 I416M1-I411 HydrophobicContact CE-CD1 3.51Å; M1-I411 HydrophobicContact CE-CG2 4.39Å; M1-I411 HydrophobicContact SD-CD1 4.19Å; M1-I411 HydrophobicContact SD-CG2 4.3Å; I22-I411 HydrophobicContact CD1-CD1 3.62Å; I22-I411 HydrophobicContact CD1-CG1 4.49Å; A371-I411 WeakPolarHBondContact O-CG2 3.21Å; D372-I411 CarbonylContact C-O 3.53Å; D372-I411 VanDerWaalsContact CA-O 3.29Å; D372-I411 WeakPolarHBondContact CA-O 3.47Å; L373-I411 HydrophobicContact CB-CB 4.28Å; L373-I411 HydrophobicContact CB-CD1 4.43Å; L373-I411 PolarHBondContact N-O 3.16Å; L373-I411 PolarHBondContact O-N 3.09Å; V409-I411 HydrophobicContact CG1-CG1 4.13Å; I411-K415 CarbonylContact C-O 3.43Å; I411-K415 VanDerWaalsContact CA-O 3.24Å; I411-K415 WeakPolarHBondContact CA-O 3.25Å; I411-I416 HydrophobicContact CG1-CG1 4.27Å
412S98.4Very high96.6Very high5 Ų545.7 Ų45.74%0.03525%0.246CC..EExtended strand (participates in β ladder)trans-120.5128.6172.6-174.60000109.2D372 G414 K415D372-S412 WeakPolarHBondContact OD1-CA 3.34Å; S412-G414 PolarHBondContact O-N 3.03Å; S412-G414 VanDerWaalsContact O-N 3.16Å; S412-K415 PolarHBondContact N-O 3.24Å; S412-K415 PolarHBondContact O-N 3.39Å
413Q97.4Very high96.5Very high31 Ų3142 Ų4215%0.14523%0.229CC..THydrogen-bonded Turntrans52.437.3-177.2-50.1177.25100112.2G4 D98 A371 D372 K415 C429 R431G4-Q413 VanDerWaalsContact CA-C 3.48Å; G4-Q413 WeakPolarHBondContact CA-O 3.43Å; D98-Q413 PolarHBondContact OD1-NE2 2.95Å; A371-Q413 PolarHBondContact O-N 3.3Å; D372-Q413 PolarHBondContact OD1-N 3.23Å; Q413-K415 PolarHBondContact O-N 2.94Å; Q413-C429 PolarHBondContact NE2-O 3.08Å; Q413-R431 VanDerWaalsContact OE1-CD 3.32Å
414G97.1Very high96.4Very high30 Ų3046.9 Ų46.931%0.30925%0.252SS..THydrogen-bonded Turntrans73.45.3-178.500000115.6A371 S412A371-G414 PolarHBondContact O-N 3.34Å; S412-G414 PolarHBondContact O-N 3.03Å; S412-G414 VanDerWaalsContact O-N 3.16Å
415K97.1Very high96.2Very high138 Ų13842.3 Ų42.360%0.624%0.237SC*.EExtended strand (participates in β ladder)trans-104.2134.8175.6-61.2177.5-176.7174.20109.8I411 S412 Q413 V417I411-K415 CarbonylContact C-O 3.43Å; I411-K415 VanDerWaalsContact CA-O 3.24Å; I411-K415 WeakPolarHBondContact CA-O 3.25Å; S412-K415 PolarHBondContact N-O 3.24Å; S412-K415 PolarHBondContact O-N 3.39Å; Q413-K415 PolarHBondContact O-N 2.94Å; K415-V417 PolarHBondContact O-N 3.27Å
416I97.6Very high96.1Very high36 Ų3646.7 Ų46.719%0.18526%0.264CS..EExtended strand (participates in β ladder)trans-72.1116.9173.1-62.1168.5000107.8K20 I22 V409 I411 E419K20-I416 HydrophobicContact CD-CD1 3.51Å; K20-I416 HydrophobicContact CG-CD1 4.31Å; K20-I416 VanDerWaalsContact NZ-CD1 3.31Å; I22-I416 HydrophobicContact CD1-CD1 3.63Å; I22-I416 HydrophobicContact CD1-CG1 3.95Å; I22-I416 HydrophobicContact CG1-CD1 4Å; V409-I416 HydrophobicContact CG1-CG1 4.45Å; V409-I416 HydrophobicContact CG1-CG2 3.97Å; I411-I416 HydrophobicContact CG1-CG1 4.27Å; I416-E419 HydrophobicContact CG2-CB 3.72Å; I416-E419 HydrophobicContact CG2-CG 4.49Å
417V98.1Very high96Very high8 Ų851.8 Ų51.85%0.04829%0.287CS..EExtended strand (participates in β ladder)trans-113.9-15.5-177.6-65.50000112.6L61 V410 K415 L423 H424L61-V417 HydrophobicContact CB-CG2 4.44Å; L61-V417 HydrophobicContact CD1-CB 4.27Å; L61-V417 HydrophobicContact CD1-CG2 4Å; L61-V417 HydrophobicContact CD2-CG2 3.74Å; L61-V417 HydrophobicContact CG-CG2 4.29Å; V410-V417 HydrophobicContact CB-CG2 4.15Å; V410-V417 HydrophobicContact CG1-CG2 3.94Å; V410-V417 WeakPolarHBondContact O-CG2 3.4Å; V410-V417 PolarHBondContact O-N 3.06Å; K415-V417 PolarHBondContact O-N 3.27Å; V417-L423 CarbonylContact O-C 3.51Å; V417-L423 WeakPolarHBondContact O-CA 3.31Å; V417-H424 PolarHBondContact O-N 2.79Å
418L98Very high96Very high11 Ų1152.1 Ų52.16%0.05830%0.295CS..EExtended strand (participates in β ladder)trans-133.9130.3166-178.972.8000108P407 V409 V410 T422 L423P407-L418 HydrophobicContact CB-CD2 4.13Å; P407-L418 HydrophobicContact CG-CD2 4.11Å; V409-L418 VanDerWaalsContact CA-O 3.24Å; V409-L418 WeakPolarHBondContact CA-O 3.31Å; V409-L418 WeakPolarHBondContact CG1-O 3.46Å; V410-L418 HydrophobicContact CB-CB 3.75Å; V410-L418 HydrophobicContact CB-CD2 4.5Å; V410-L418 HydrophobicContact CG2-CB 3.91Å; V410-L418 HydrophobicContact CG2-CD2 3.72Å; V410-L418 HydrophobicContact CG2-CG 4.44Å; V410-L418 PolarHBondContact N-O 3.39Å; V410-L418 PolarHBondContact O-N 3.1Å; L418-T422 WeakPolarHBondContact CA-O 3.42Å; L418-L423 HydrophobicContact CB-CD2 4.09Å; L418-L423 HydrophobicContact CD1-CD2 3.67Å; L418-L423 HydrophobicContact CD1-CG 3.81Å; L418-L423 HydrophobicContact CG-CD2 4.44Å
419E95.7Very high96Very high47 Ų4751.4 Ų51.422%0.2229%0.294CS..EExtended strand (participates in β ladder)trans-154.1136.2170.8-174.6172.5-118.200108.5K20 V409 I416 G421 T422K20-E419 WeakPolarHBondContact CE-OE1 3.31Å; K20-E419 IonicContact NZ-OE1 2.77Å; K20-E419 PolarHBondContact NZ-OE1 3.16Å; K20-E419 IonicContact NZ-OE2 3.8Å; K20-E419 PolarHBondContact NZ-OE2 3.01Å; V409-E419 HydrophobicContact CG2-CG 4.38Å; I416-E419 HydrophobicContact CG2-CB 3.72Å; I416-E419 HydrophobicContact CG2-CG 4.49Å; E419-G421 PolarHBondContact O-N 3.45Å; E419-G421 VanDerWaalsContact O-N 3.13Å; E419-T422 PolarHBondContact N-O 2.99Å; E419-T422 VanDerWaalsContact N-O 3.13Å; E419-T422 PolarHBondContact O-N 2.81Å
420E86.7Confident95.9Very high179 Ų17951.2 Ų51.284%0.83629%0.294SS*.THydrogen-bonded Turntrans52.836.7178.9-63179.5179.300113.7T422E420-T422 PolarHBondContact O-N 3.33Å
421G89.1Confident95.9Very high70 Ų7055.6 Ų55.672%0.72231%0.311SS*.THydrogen-bonded Turntrans73.62.7-178.500000115E419E419-G421 PolarHBondContact O-N 3.45Å; E419-G421 VanDerWaalsContact O-N 3.13Å
422T94.7Very high95.9Very high75 Ų7556.7 Ų56.746%0.4631%0.314SS..EExtended strand (participates in β ladder)trans-101.3127.7178.7-56.30000110.8L418 E419 E420 H424L418-T422 WeakPolarHBondContact CA-O 3.42Å; E419-T422 PolarHBondContact N-O 2.99Å; E419-T422 VanDerWaalsContact N-O 3.13Å; E419-T422 PolarHBondContact O-N 2.81Å; E420-T422 PolarHBondContact O-N 3.33Å; T422-H424 VanDerWaalsContact CG2-CE1 3.48Å; T422-H424 WeakPolarHBondContact CG2-CE1 3.36Å
423L96.1Very high96Very high26 Ų2656.6 Ų56.614%0.13631%0.313CS..EExtended strand (participates in β ladder)trans-89.9127.4176.1-75.7163.3000111.4R58 L61 A62 N390 V417 L418 T425R58-L423 HydrophobicContact CG-CD1 3.88Å; L61-L423 HydrophobicContact CB-CD2 4.43Å; A62-L423 HydrophobicContact CB-CD1 3.81Å; A62-L423 HydrophobicContact CB-CD2 4.16Å; A62-L423 HydrophobicContact CB-CG 4.45Å; N390-L423 WeakPolarHBondContact OD1-CD1 3.41Å; V417-L423 CarbonylContact O-C 3.51Å; V417-L423 WeakPolarHBondContact O-CA 3.31Å; L418-L423 HydrophobicContact CB-CD2 4.09Å; L418-L423 HydrophobicContact CD1-CD2 3.67Å; L418-L423 HydrophobicContact CD1-CG 3.81Å; L418-L423 HydrophobicContact CG-CD2 4.44Å; L423-T425 HydrophobicContact CD2-CG2 4.47Å
424H95.5Very high96Very high105 Ų10558.5 Ų58.549%0.48633%0.33SS..  trans-114.664.7176.6-59.5-58.2000110.2V417 T422V417-H424 PolarHBondContact O-N 2.79Å; T422-H424 VanDerWaalsContact CG2-CE1 3.48Å; T422-H424 WeakPolarHBondContact CG2-CE1 3.36Å
425T93.5Very high96.1Very high25 Ų2557.1 Ų57.115%0.15332%0.316CS..  trans-92.2149.9-179.253.50000111.8R58 L61 C96 L423R58-T425 HydrophobicContact CB-CG2 4.35Å; R58-T425 HydrophobicContact CG-CG2 4.03Å; L61-T425 HydrophobicContact CD1-CG2 3.7Å; C96-T425 HydrophobicContact CB-CG2 4.05Å; L423-T425 HydrophobicContact CD2-CG2 4.47Å
426T94.8Very high96.1Very high95 Ų9558.1 Ų58.158%0.58332%0.32SS*.  trans-126.7125.4172.8-55.60000107.7G428 C429T426-G428 PolarHBondContact O-N 3Å; T426-C429 WeakPolarHBondContact O-CB 3.32Å; T426-C429 PolarHBondContact O-N 3.17Å; T426-C429 PolarHBondContact O-SG 3.24Å
427E96.7Very high96.2Very high109 Ų10958.3 Ų58.351%0.50932%0.324SS..THydrogen-bonded Turntrans-57.5133.9177.6-167177.4-169.500110.6Y54 S93 K94 C429Y54-E427 HydrophobicContact CD2-CB 3.75Å; Y54-E427 HydrophobicContact CD2-CG 3.77Å; Y54-E427 HydrophobicContact CE2-CB 3.96Å; Y54-E427 HydrophobicContact CE2-CG 4.44Å; Y54-E427 HydrophobicContact CG-CG 4.28Å; S93-E427 WeakPolarHBondContact O-CG 3.3Å; K94-E427 HydrophobicContact CB-CG 4.39Å; E427-C429 VanDerWaalsContact C-N 3.28Å; E427-C429 PolarHBondContact O-N 3.17Å
428G96.7Very high96.2Very high30 Ų3061.9 Ų61.931%0.30934%0.339SS..THydrogen-bonded Turntrans7213178.200000115.5D92 S93 K94 S95 T426 G430D92-G428 WeakPolarHBondContact O-CA 3.37Å; S93-G428 WeakPolarHBondContact O-CA 3.16Å; S93-G428 PolarHBondContact O-N 3.2Å; K94-G428 PolarHBondContact O-N 2.78Å; S95-G428 CarbonylContact O-C 3.45Å; S95-G428 WeakPolarHBondContact O-CA 3.2Å; S95-G428 PolarHBondContact O-N 3.19Å; T426-G428 PolarHBondContact O-N 3Å; G428-G430 VanDerWaalsContact C-N 3.34Å
429C96.7Very high96.2Very high39 Ų3961.6 Ų61.626%0.26434%0.337SS..  trans-81.2-17.6176.280.70000113.3S95 C96 Q413 T426 E427S95-C429 PolarHBondContact O-N 3.28Å; S95-C429 VanDerWaalsContact O-N 3.11Å; C96-C429 PolarHBondContact O-SG 2.89Å; Q413-C429 PolarHBondContact NE2-O 3.08Å; T426-C429 WeakPolarHBondContact O-CB 3.32Å; T426-C429 PolarHBondContact O-N 3.17Å; T426-C429 PolarHBondContact O-SG 3.24Å; E427-C429 VanDerWaalsContact C-N 3.28Å; E427-C429 PolarHBondContact O-N 3.17Å
430G97.8Very high96.3Very high6 Ų663.3 Ų63.36%0.06235%0.348CS..  trans-66.7144.3173.200000112.5S95 C97 G428S95-G430 WeakPolarHBondContact O-CA 3.21Å; S95-G430 PolarHBondContact O-N 3.06Å; C97-G430 VanDerWaalsContact C-CA 3.46Å; C97-G430 WeakPolarHBondContact O-CA 3.25Å; G428-G430 VanDerWaalsContact C-N 3.34Å
431R98.4Very high96.9Very high92 Ų9258.7 Ų58.735%0.34733%0.326SS..  trans-112.1141.8-179.9-51.6167.3-61.2-176.1-0.2110.8D98 Y99 D370 Q413 I433D98-R431 WeakPolarHBondContact CA-O 3.47Å; D98-R431 VanDerWaalsContact OD1-CB 3.31Å; D98-R431 WeakPolarHBondContact OD1-CB 3.39Å; D98-R431 IonicContact OD1-CZ 3.32Å; D98-R431 PolarHBondContact OD1-N 3.37Å; D98-R431 IonicContact OD1-NE 3.64Å; D98-R431 PolarHBondContact OD1-NE 3.34Å; D98-R431 IonicContact OD1-NH2 2.64Å; D98-R431 IonicContact OD2-CZ 3.93Å; D98-R431 IonicContact OD2-NE 3.03Å; D98-R431 IonicContact OD2-NH2 2.74Å; D98-R431 PolarHBondContact OD2-NH2 3.06Å; Y99-R431 PolarHBondContact N-O 3.35Å; D370-R431 IonicContact OD2-NH2 2.94Å; Q413-R431 VanDerWaalsContact OE1-CD 3.32Å; R431-I433 HydrophobicContact CB-CD1 4.24Å; R431-I433 PolarHBondContact O-N 2.69Å
432Y98.8Very high97.3Very high34 Ų3455.4 Ų55.413%0.13329%0.292CS..BIsolated β-bridgetrans-65.2124165.3-179.9-104.7000111.3F84 R88 Y99 L101 H123 G124F84-Y432 HydrophobicContact CE2-CE2 4.32Å; F84-Y432 HydrophobicContact CZ-CE1 4.4Å; F84-Y432 HydrophobicContact CZ-CE2 4.26Å; F84-Y432 AromaticContact CZ-CZ 3.86Å; R88-Y432 VanDerWaalsContact CD-CD2 3.42Å; R88-Y432 VanDerWaalsContact CZ-CG 3.46Å; Y99-Y432 HydrophobicContact CD2-CD2 4.24Å; Y99-Y432 AromaticContact CE2-CD2 3.78Å; Y99-Y432 HydrophobicContact CE2-CD2 3.78Å; Y99-Y432 CarbonylContact O-C 3.48Å; Y99-Y432 WeakPolarHBondContact O-CA 3.43Å; L101-Y432 HydrophobicContact CB-CE2 4.31Å; L101-Y432 HydrophobicContact CD1-CE2 4.24Å; L101-Y432 HydrophobicContact CG-CE2 4.11Å; H123-Y432 WeakPolarHBondContact O-CE1 3.34Å; H123-Y432 PolarHBondContact O-OH 3.01Å; G124-Y432 PolarHBondContact O-OH 3.04Å
433I98.8Very high97.4Very high2 Ų252 Ų521%0.0127%0.271CS..  trans-102.7104.4177.4-49.7-53.3000109.4M67 D98 Y99 S100 L358 R431M67-I433 HydrophobicContact CE-CB 3.88Å; M67-I433 HydrophobicContact CE-CG1 4.06Å; M67-I433 HydrophobicContact CE-CG2 4.4Å; D98-I433 HydrophobicContact CB-CD1 4.09Å; D98-I433 HydrophobicContact CB-CG1 3.81Å; Y99-I433 PolarHBondContact O-N 3.24Å; S100-I433 WeakPolarHBondContact CB-O 3.3Å; S100-I433 PolarHBondContact OG-O 3.01Å; L358-I433 HydrophobicContact CD2-CB 4.38Å; L358-I433 HydrophobicContact CD2-CG2 3.4Å; L358-I433 VanDerWaalsContact CD2-CG2 3.4Å; R431-I433 HydrophobicContact CB-CD1 4.24Å; R431-I433 PolarHBondContact O-N 2.69Å
434S98.4Very high97.5Very high72 Ų7256.9 Ų56.950%0.50329%0.291SS..  trans-64.2136.5171.9173.10000111G124G124-S434 VanDerWaalsContact CA-OG 3.27Å; G124-S434 WeakPolarHBondContact CA-OG 3.42Å
435R98.6Very high97.5Very high1 Ų156.8 Ų56.80%0.00429%0.286CS..  trans-115.9127.3-179.8-60.5163.4-62.817110.2109.9S100 L101 G124 N126 S127 F356 L358S100-R435 WeakPolarHBondContact OG-CD 3.42Å; S100-R435 PolarHBondContact OG-NE 2.92Å; L101-R435 PolarHBondContact O-NH2 3.12Å; G124-R435 CarbonylContact C-O 3.55Å; G124-R435 PolarHBondContact O-N 3.02Å; N126-R435 HydrophobicContact CB-CB 4.42Å; N126-R435 WeakPolarHBondContact ND2-CB 3.49Å; N126-R435 PolarHBondContact OD1-NE 3.27Å; S127-R435 PolarHBondContact OG-NH1 3.12Å; S127-R435 PolarHBondContact OG-NH2 3.12Å; F356-R435 WeakPolarHBondContact O-CB 3.47Å; F356-R435 WeakPolarHBondContact O-CD 3.39Å; F356-R435 WeakPolarHBondContact O-CG 3.26Å; L358-R435 HydrophobicContact CD2-CG 3.69Å; L358-R435 HydrophobicContact CG-CG 4.12Å
436K98.4Very high97.7Very high159 Ų15955.8 Ų55.869%0.69128%0.28SS*.  trans-74.3146.5177.7-66-179.1-179.6179.90110.5N126 N357N126-K436 PolarHBondContact ND2-O 3Å; N357-K436 WeakPolarHBondContact CB-O 3.49Å; N357-K436 PolarHBondContact ND2-O 3Å
437P98.5Very high97.7Very high40 Ų4055.6 Ų55.626%0.2627%0.271SS..SBendtrans-67.5174.4169.829.7-34.9000111.6V120 L155 N357V120-P437 HydrophobicContact CG1-CB 3.76Å; V120-P437 HydrophobicContact CG1-CG 3.83Å; L155-P437 WeakPolarHBondContact O-CB 3.31Å; N357-P437 PolarHBondContact ND2-O 2.57Å
438F98.4Very high97.5Very high83 Ų8352.1 Ų52.136%0.36426%0.261SS..SBendtrans56.650.5178.5-58.6-79.7000113.6D154 G156 D440 Y443D154-F438 WeakPolarHBondContact O-CZ 3.47Å; G156-F438 VanDerWaalsContact CA-CD1 3.49Å; G156-F438 VanDerWaalsContact CA-CE1 3.4Å; G156-F438 PolarHBondContact O-N 3.12Å; F438-D440 PolarHBondContact O-N 3.25Å; F438-D440 VanDerWaalsContact O-N 3.11Å; F438-Y443 AromaticContact CD1-CD1 3.87Å; F438-Y443 HydrophobicContact CD1-CD1 3.87Å; F438-Y443 HydrophobicContact CD1-CE1 4.19Å; F438-Y443 HydrophobicContact CD1-CG 4.13Å; F438-Y443 HydrophobicContact CE1-CD1 4.39Å; F438-Y443 HydrophobicContact CE1-CE1 4.38Å
439S98.3Very high97.4Very high4 Ų454 Ų543%0.02826%0.259CS..  trans-46.7122.6170.8168.30000110.2K354 I355 H441 V442 Y443K354-S439 PolarHBondContact O-OG 2.94Å; I355-S439 WeakPolarHBondContact O-CB 3.19Å; I355-S439 PolarHBondContact O-OG 3.05Å; S439-H441 PolarHBondContact O-N 3.46Å; S439-H441 PolarHBondContact OG-N 3.21Å; S439-V442 PolarHBondContact O-N 3.14Å; S439-Y443 WeakPolarHBondContact O-CB 3.26Å; S439-Y443 PolarHBondContact O-N 3.49Å
440D97.9Very high97.1Very high84 Ų8455 Ų5545%0.44927%0.266SS..Hα-helixtrans-59.6-35.4-179.6-104.97.4000112F438 V442 K444F438-D440 PolarHBondContact O-N 3.25Å; F438-D440 VanDerWaalsContact O-N 3.11Å; D440-V442 VanDerWaalsContact C-N 3.27Å; D440-V442 PolarHBondContact O-N 3.29Å; D440-K444 HydrophobicContact CB-CD 4.21Å; D440-K444 HydrophobicContact CB-CG 4.46Å; D440-K444 VanDerWaalsContact O-CB 3.25Å; D440-K444 WeakPolarHBondContact O-CB 3.42Å; D440-K444 WeakPolarHBondContact O-CD 3.35Å; D440-K444 WeakPolarHBondContact O-CG 3.32Å; D440-K444 PolarHBondContact O-N 2.98Å; D440-K444 WeakPolarHBondContact OD2-CE 3.46Å; D440-K444 IonicContact OD2-NZ 3.72Å; D440-K444 PolarHBondContact OD2-NZ 3.11Å
441H97.9Very high96.6Very high81 Ų8163.1 Ų63.138%0.37530%0.295SS..Hα-helixtrans-61.4-38.8177.5-175.772.6000111.7Y239 K354 S439Y239-H441 AromaticContact CE1-NE2 3.91Å; K354-H441 HydrophobicContact CB-CB 3.91Å; S439-H441 PolarHBondContact O-N 3.46Å; S439-H441 PolarHBondContact OG-N 3.21Å
442V97.7Very high96Very high2 Ų266 Ų661%0.01232%0.317CS..Hα-helixtrans-86.9-49.6-176.9-1800000111.3I158 P213 Y239 I355 S439 D440I158-V442 HydrophobicContact CD1-CG1 4.5Å; I158-V442 HydrophobicContact CD1-CG2 4.44Å; P213-V442 HydrophobicContact CB-CG1 3.21Å; P213-V442 HydrophobicContact CG-CG1 3.5Å; P213-V442 VanDerWaalsContact CG-CG1 3.5Å; Y239-V442 HydrophobicContact CE2-CG1 4.36Å; Y239-V442 HydrophobicContact CE2-CG2 4.22Å; I355-V442 HydrophobicContact CG2-CG2 4.33Å; S439-V442 PolarHBondContact O-N 3.14Å; D440-V442 VanDerWaalsContact C-N 3.27Å; D440-V442 PolarHBondContact O-N 3.29Å
443Y98.4Very high95.1Very high4 Ų468.8 Ų68.82%0.01634%0.337CS..Hα-helixtrans-90.9-14.4-164.8-86.8-91.3000115.6V152 R153 G156 A157 P213 F438 S439 R445 I446 K447V152-Y443 PolarHBondContact O-OH 3.12Å; R153-Y443 WeakPolarHBondContact CA-OH 3.17Å; R153-Y443 WeakPolarHBondContact O-CE1 3.23Å; R153-Y443 PolarHBondContact O-OH 3.05Å; G156-Y443 VanDerWaalsContact C-OH 3.25Å; G156-Y443 WeakPolarHBondContact CA-OH 3.33Å; G156-Y443 WeakPolarHBondContact O-CE2 3.36Å; A157-Y443 PolarHBondContact N-OH 3.29Å; A157-Y443 VanDerWaalsContact O-CE2 3.3Å; A157-Y443 WeakPolarHBondContact O-CE2 3.37Å; A157-Y443 VanDerWaalsContact O-CZ 3.29Å; A157-Y443 PolarHBondContact O-OH 2.9Å; P213-Y443 HydrophobicContact CG-CE1 4.47Å; P213-Y443 HydrophobicContact CG-CE2 3.8Å; F438-Y443 AromaticContact CD1-CD1 3.87Å; F438-Y443 HydrophobicContact CD1-CD1 3.87Å; F438-Y443 HydrophobicContact CD1-CE1 4.19Å; F438-Y443 HydrophobicContact CD1-CG 4.13Å; F438-Y443 HydrophobicContact CE1-CD1 4.39Å; F438-Y443 HydrophobicContact CE1-CE1 4.38Å; S439-Y443 WeakPolarHBondContact O-CB 3.26Å; S439-Y443 PolarHBondContact O-N 3.49Å; Y443-R445 VanDerWaalsContact C-N 3.29Å; Y443-R445 PolarHBondContact O-N 3.26Å; Y443-I446 HydrophobicContact CD1-CB 4.09Å; Y443-I446 HydrophobicContact CD1-CG2 4.05Å; Y443-I446 HydrophobicContact CE1-CG2 4.18Å; Y443-I446 PolarHBondContact O-N 3.12Å; Y443-K447 WeakPolarHBondContact O-CB 3.45Å; Y443-K447 WeakPolarHBondContact O-CG 3.32Å; Y443-K447 PolarHBondContact O-N 3.27Å
444K97.1Very high94.2Very high128 Ų12875 Ų7556%0.55737%0.366SS*.Hα-helixtrans-55.7-44.7177-85.8174.6174.2155.60112.1D440 A448D440-K444 HydrophobicContact CB-CD 4.21Å; D440-K444 HydrophobicContact CB-CG 4.46Å; D440-K444 VanDerWaalsContact O-CB 3.25Å; D440-K444 WeakPolarHBondContact O-CB 3.42Å; D440-K444 WeakPolarHBondContact O-CD 3.35Å; D440-K444 WeakPolarHBondContact O-CG 3.32Å; D440-K444 PolarHBondContact O-N 2.98Å; D440-K444 WeakPolarHBondContact OD2-CE 3.46Å; D440-K444 IonicContact OD2-NZ 3.72Å; D440-K444 PolarHBondContact OD2-NZ 3.11Å; K444-A448 PolarHBondContact O-N 3.44Å
445R95.6Very high93.5Very high102 Ų10279.9 Ų79.939%0.38539%0.386SS..Hα-helixtrans-72.4-40177.7-66.1-171.3-62.7169.71.5112.3V237 Y443 A448 R449V237-R445 HydrophobicContact CG2-CB 4.39Å; Y443-R445 VanDerWaalsContact C-N 3.29Å; Y443-R445 PolarHBondContact O-N 3.26Å; R445-A448 PolarHBondContact O-N 3.32Å; R445-R449 WeakPolarHBondContact O-CG 3.41Å; R445-R449 PolarHBondContact O-N 2.86Å
446I96.8Very high92.9Very high5 Ų589.5 Ų89.53%0.02642%0.422CS..Hα-helixtrans-59.2-50.2177.8-61.5-60.5000110.7R153 N211 P213 V237 Y443 A448 R449 S450R153-I446 HydrophobicContact CG-CG2 4.44Å; N211-I446 PolarHBondContact ND2-O 3.4Å; N211-I446 WeakPolarHBondContact O-CG2 3.46Å; P213-I446 HydrophobicContact CB-CD1 4.48Å; P213-I446 HydrophobicContact CB-CG1 4.41Å; V237-I446 HydrophobicContact CB-CD1 3.88Å; V237-I446 HydrophobicContact CG1-CD1 4.22Å; V237-I446 HydrophobicContact CG2-CD1 3.61Å; V237-I446 HydrophobicContact CG2-CG1 4.39Å; Y443-I446 HydrophobicContact CD1-CB 4.09Å; Y443-I446 HydrophobicContact CD1-CG2 4.05Å; Y443-I446 HydrophobicContact CE1-CG2 4.18Å; Y443-I446 PolarHBondContact O-N 3.12Å; I446-A448 VanDerWaalsContact C-N 3.28Å; I446-A448 PolarHBondContact O-N 3.23Å; I446-R449 WeakPolarHBondContact O-CB 3.5Å; I446-R449 PolarHBondContact O-N 3.04Å; I446-R449 VanDerWaalsContact O-N 3.14Å; I446-S450 PolarHBondContact O-N 3.42Å; I446-S450 PolarHBondContact O-OG 3.32Å
447K95.1Very high92.6Very high91 Ų9185.4 Ų85.440%0.39643%0.425SS..Hα-helixtrans-59.2-38.1177.2-70.9175.3-179.3176.20112.4Y443 R451Y443-K447 WeakPolarHBondContact O-CB 3.45Å; Y443-K447 WeakPolarHBondContact O-CG 3.32Å; Y443-K447 PolarHBondContact O-N 3.27Å; K447-R451 PolarHBondContact O-NH1 3.19Å
448A93.8Very high92.4Very high35 Ų3588 Ų8829%0.28944%0.44SS..Hα-helixtrans-68.1-41.4176.600000112.2K444 R445 I446 R451K444-A448 PolarHBondContact O-N 3.44Å; R445-A448 PolarHBondContact O-N 3.32Å; I446-A448 VanDerWaalsContact C-N 3.28Å; I446-A448 PolarHBondContact O-N 3.23Å; A448-R451 PolarHBondContact O-N 2.92Å
449R93.3Very high92.1Very high69 Ų6990 Ų9026%0.2646%0.462SS..Hα-helixtrans-62.1-47.7176.9-72170.2-165.8-153.7-2.6112.3N211 G235 R445 I446 R451 L452 T453N211-R449 WeakPolarHBondContact OD1-CD 3.37Å; G235-R449 PolarHBondContact O-NH1 2.84Å; G235-R449 PolarHBondContact O-NH2 3.26Å; R445-R449 WeakPolarHBondContact O-CG 3.41Å; R445-R449 PolarHBondContact O-N 2.86Å; I446-R449 WeakPolarHBondContact O-CB 3.5Å; I446-R449 PolarHBondContact O-N 3.04Å; I446-R449 VanDerWaalsContact O-N 3.14Å; R449-R451 PolarHBondContact O-N 3.15Å; R449-R451 VanDerWaalsContact O-N 3.09Å; R449-L452 PolarHBondContact O-N 3.11Å; R449-T453 PolarHBondContact O-N 3.39Å; R449-T453 PolarHBondContact O-OG1 2.88Å
450S90.3Very high91.9Very high60 Ų6099.5 Ų99.542%0.4250%0.497SS..Hα-helixtrans-57.4-29.7-178.4-58.40000113N211 I446 T453N211-S450 PolarHBondContact ND2-OG 2.9Å; I446-S450 PolarHBondContact O-N 3.42Å; I446-S450 PolarHBondContact O-OG 3.32Å; S450-T453 PolarHBondContact O-OG1 3.42Å
451R87.8Confident91.6Very high177 Ų17798.9 Ų98.967%0.66851%0.511SS*.Hα-helixtrans-74.8-23.6176.2-68.1-170.1-61.4-95.75.5114K447 A448 R449K447-R451 PolarHBondContact O-NH1 3.19Å; A448-R451 PolarHBondContact O-N 2.92Å; R449-R451 PolarHBondContact O-N 3.15Å; R449-R451 VanDerWaalsContact O-N 3.09Å
452L85.5Confident91.3Very high153 Ų153104.2 Ų104.280%0.80154%0.536SS*.Hα-helixtrans-94-21.2-177.1-65.2175.2000112.6R449 E454R449-L452 PolarHBondContact O-N 3.11Å; L452-E454 VanDerWaalsContact C-N 3.33Å; L452-E454 PolarHBondContact O-N 3.22Å
453T79.7Confident91.2Very high93 Ų93112 Ų11257%0.57157%0.566SS**  trans-92.633.2-173.451.60000113.8R449 S450 L455R449-T453 PolarHBondContact O-N 3.39Å; R449-T453 PolarHBondContact O-OG1 2.88Å; S450-T453 PolarHBondContact O-OG1 3.42Å; T453-L455 PolarHBondContact O-N 2.88Å; T453-L455 VanDerWaalsContact O-N 3.07Å
454E80.6Confident90.9Very high131 Ų131119.4 Ų119.461%0.61261%0.606SS**  trans-61.5113.1174.1-76.8-174.5171.200110.7L452 R456L452-E454 VanDerWaalsContact C-N 3.33Å; L452-E454 PolarHBondContact O-N 3.22Å; E454-R456 PolarHBondContact O-N 2.66Å; E454-R456 IonicContact OE2-CZ 2.73Å; E454-R456 IonicContact OE2-NE 3.59Å; E454-R456 IonicContact OE2-NH2 3.56Å; E454-R456 PolarHBondContact OE2-NH2 2.95Å
455L83.5Confident90.7Very high176 Ų176114.6 Ų114.692%0.92159%0.593SS**  trans-71.4126.9173.8-64176.9000109.5T453T453-L455 PolarHBondContact O-N 2.88Å; T453-L455 VanDerWaalsContact O-N 3.07Å
456R87.3Confident90.5Very high202 Ų202115.5 Ų115.576%0.76261%0.611SS**  trans-121119.4178.3-64.2-177.1-177.5-176.70.1109.7E454E454-R456 PolarHBondContact O-N 2.66Å; E454-R456 IonicContact OE2-CZ 2.73Å; E454-R456 IonicContact OE2-NE 3.59Å; E454-R456 IonicContact OE2-NH2 3.56Å; E454-R456 PolarHBondContact OE2-NH2 2.95Å
457G91.1Very high90.2Very high73 Ų73121 Ų12175%0.75365%0.645SS**PPolyproline II helixtrans-64.8142.9167.700000110P459G457-P459 WeakPolarHBondContact O-CD 3.43Å
458V94.5Very high89.9Confident95 Ų95122 Ų12258%0.57666%0.662SS**PPolyproline II helixtrans-76.3117.9169.7-1800000107.4R460V458-R460 HydrophobicContact CG1-CG 4.24Å; V458-R460 PolarHBondContact O-N 3.39Å
459P92.4Very high89.4Confident126 Ų126129.6 Ų129.682%0.81869%0.692SS**PPolyproline II helixtrans-64.6121.4173.327.4-32.3000108.3G457G457-P459 WeakPolarHBondContact O-CD 3.43Å
460R94.1Very high88.9Confident202 Ų202131.9 Ų131.976%0.76271%0.713SS**  trans-120.4150175.9-64.3-173.8-178.292.4-4108.8V458V458-R460 HydrophobicContact CG1-CG 4.24Å; V458-R460 PolarHBondContact O-N 3.39Å
461G92.1Very high88.3Confident72 Ų72135.3 Ų135.374%0.74273%0.731SS**PPolyproline II helixtrans-61.8162.8166.100000111Y463G461-Y463 PolarHBondContact O-N 3.17Å
462Q91.4Very high87.7Confident193 Ų193132.4 Ų132.490%0.90273%0.733SS**PPolyproline II helixtrans-61.1135169.2-69.4-177.2-9.400108.9D464Q462-D464 PolarHBondContact O-N 3.31Å
463Y93.9Very high86.4Confident165 Ų165131 Ų13165%0.64773%0.731SS**PPolyproline II helixtrans-69.4122.5174.3175-102.4000109.2G461 G465 P466 V467G461-Y463 PolarHBondContact O-N 3.17Å; Y463-G465 WeakPolarHBondContact CE1-O 3.46Å; Y463-G465 VanDerWaalsContact CZ-CA 3.42Å; Y463-P466 WeakPolarHBondContact CE1-O 3.35Å; Y463-P466 PolarHBondContact OH-O 3.11Å; Y463-V467 HydrophobicContact CD1-CG2 4.16Å; Y463-V467 HydrophobicContact CE1-CG2 3.79Å
464D92.4Very high85.3Confident160 Ų160131.5 Ų131.586%0.85674%0.736SS**  trans-107.62.2-177.160.6-13.8000113.2Q462Q462-D464 PolarHBondContact O-N 3.31Å
465G93.6Very high84Confident27 Ų27135.2 Ų135.228%0.27875%0.75SS.*SBendtrans-79.3171.6176.900000113.8Y463Y463-G465 WeakPolarHBondContact CE1-O 3.46Å; Y463-G465 VanDerWaalsContact CZ-CA 3.42Å
466P90.7Very high82Confident120 Ų120133 Ų13378%0.77974%0.744SS**  trans-64.8146.6176.127.8-34.1000111.7Y463Y463-P466 WeakPolarHBondContact CE1-O 3.35Å; Y463-P466 PolarHBondContact OH-O 3.11Å
467V90.8Very high79.8Confident120 Ų120131.2 Ų131.273%0.72775%0.746SS**  trans-121128.1173.4-1780000108.3Y463Y463-V467 HydrophobicContact CD1-CG2 4.16Å; Y463-V467 HydrophobicContact CE1-CG2 3.79Å
468C89.6Confident77.1Confident112 Ų112132.1 Ų132.176%0.75774%0.741SS**  trans-69.4139174.6-64.30000110.7V470C468-V470 PolarHBondContact O-N 3.28Å
469E83.8Confident74Confident196 Ų196133.4 Ų133.492%0.91675%0.749SS**  trans-68.3123.2170.4-70.4-172.6168.100110
470V82.4Confident71.2Confident117 Ų117136.9 Ų136.971%0.70975%0.752SS**  trans-112.6112.8173-177.40000107.8C468 V472C468-V470 PolarHBondContact O-N 3.28Å; V470-V472 HydrophobicContact CG1-CG2 4.22Å; V470-V472 PolarHBondContact O-N 3.1Å
471T78Confident68.2Low131 Ų131132.8 Ų132.880%0.80475%0.754SS**  trans-73.294.1170.5-47.10000108.5T473T471-T473 PolarHBondContact O-N 3.43Å; T471-T473 VanDerWaalsContact O-N 3.12Å
472V74Confident65.1Low117 Ų117134.2 Ų134.271%0.70975%0.753SS**  trans-74.8100.8171.5-173.60000107.2V470 P474V470-V472 HydrophobicContact CG1-CG2 4.22Å; V470-V472 PolarHBondContact O-N 3.1Å; V472-P474 WeakPolarHBondContact O-CD 2.99Å
473T59.5Low62.1Low122 Ų122133.2 Ų133.275%0.74875%0.75SS**  trans-62.5115.4166.830000107.6T471 K475T471-T473 PolarHBondContact O-N 3.43Å; T471-T473 VanDerWaalsContact O-N 3.12Å; T473-K475 PolarHBondContact O-N 3.32Å; T473-K475 VanDerWaalsContact O-N 3.14Å
474P55.1Low59.2Low105 Ų105134.3 Ų134.368%0.68276%0.758SS**  trans-64121.2176.8-14.128.1000107.8V472 V476V472-P474 WeakPolarHBondContact O-CD 2.99Å; P474-V476 VanDerWaalsContact C-N 3.33Å; P474-V476 PolarHBondContact O-N 2.93Å
475K53.2Low56.1Low208 Ų208133.7 Ų133.790%0.90476%0.76SS**  trans-62.7102.3160.9-88.1-176.3176.1178.40106.4T473 M477T473-K475 PolarHBondContact O-N 3.32Å; T473-K475 VanDerWaalsContact O-N 3.14Å; K475-M477 PolarHBondContact O-N 2.9Å
476V43Very low53Low129 Ų129137.2 Ų137.278%0.78278%0.78SS**  trans-61.6103.3174.61780000108P474 S478P474-V476 VanDerWaalsContact C-N 3.33Å; P474-V476 PolarHBondContact O-N 2.93Å; V476-S478 PolarHBondContact O-N 3.38Å
477M40.9Very low50.3Low165 Ų165138 Ų13881%0.81379%0.785SS**  trans-79108155.2-79.9179.670.700106.4K475 T479K475-M477 PolarHBondContact O-N 2.9Å; M477-T479 PolarHBondContact O-N 3.3Å
478S33.1Very low47.3Very low92 Ų92136.7 Ų136.764%0.64379%0.787SS**  trans-7194.5170.564.50000108.8V476 F480V476-S478 PolarHBondContact O-N 3.38Å; S478-F480 PolarHBondContact O-N 2.93Å
479T30.5Very low44.4Very low122 Ų122140.5 Ų140.575%0.74879%0.791SS**  trans-80.7102160.149.70000108.1M477 S481M477-T479 PolarHBondContact O-N 3.3Å; T479-S481 PolarHBondContact O-N 3.4Å
480F33.4Very low41.9Very low200 Ų200139 Ų13988%0.87778%0.784SS**  trans-64.9116158.6-82.7-89000108.5S478S478-F480 PolarHBondContact O-N 2.93Å
481S29.8Very low39.4Very low116 Ų116140.3 Ų140.381%0.81178%0.783SS**  trans-135.1108.3150.480.50000109.4T479T479-S481 PolarHBondContact O-N 3.4Å
482S29.1Very low37Very low102 Ų102141.4 Ų141.471%0.71378%0.779SS**  trans-82.2132.4169160.80000109.6
483M28.3Very low34.9Very low172 Ų172143.1 Ų143.185%0.84778%0.779SS**  trans15597.6136.9-81.4-160.9-148.600109
484K31.8Very low33.4Very low188 Ų188144.7 Ų144.782%0.81778%0.778SS**  73.7116.689.8-79.5-169.4-178.3179.90115.2
485T26.6Very low32.1Very low146 Ų146146.7 Ų146.790%0.89678%0.778SS**  trans-132.6125.6142.9470000109.7
486S30.1Very low30.9Very low101 Ų101144.1 Ų144.171%0.70677%0.769SS**  trans-79179.8-179.3-55.20000113.1
487P33Very low30.3Very low136 Ų136146.2 Ų146.288%0.88377%0.77SS**  -136.115710928.9-12.6000114.5
488A28.4Very low29.7Very low93 Ų93146.7 Ų146.777%0.76977%0.771SS**  trans-98.6152.2-175.800000113.6
489K29.4Very low29.5Very low192 Ų192149.4 Ų149.484%0.83577%0.773SS**  trans-177.7114.7131.5-97.4174.7-176.3-174.10108.7
490Q29.8Very low29.4Very low164 Ų164151.3 Ų151.377%0.76677%0.772SS**  51.7135.4107.2-73.2-177-14.700114.3
491Q29.6Very low29.1Very low146 Ų146148 Ų14868%0.68277%0.768SS**  cis-171.6147.59.6-119.1170.55.100107.8
492Q29.2Very low29.1Very low153 Ų153149.7 Ų149.772%0.71576%0.763SS**  trans51.2130.4141-72.6178.25.700124.7
493Q28.5Very low29.3Very low154 Ų154152.7 Ų152.772%0.7277%0.765SS**  trans85.4112.1132.3-76.3177.318.900121.9
494Q28.6Very low30.1Very low155 Ų155149.6 Ų149.672%0.72476%0.758SS**  58.6130.4127.4-78.6-172.225.100122.1
495Q27.7Very low30.3Very low146 Ų146147.6 Ų147.668%0.68276%0.761SS**  trans88.5118.1143.8-73.9178.441.200120.2
496Q28.5Very low30.6Very low155 Ų155151.4 Ų151.472%0.72476%0.759SS**  trans80.8141.7133.1-75.3-176.224.900121.6
497Q29.7Very low31.2Very low172 Ų172153.3 Ų153.380%0.80476%0.761SS**  trans88.493.5156.3-75.8168.924.700119.4
498Q28.9Very low31.2Very low176 Ų176152.2 Ų152.282%0.82275%0.748SS**  -11.6128.7128.2-69.4173.71.500115.2
499Q29.3Very low31.6Very low149 Ų149155.7 Ų155.770%0.69675%0.748SS**  165.2138104.5-106.5178.810.400113.3
500F27.4Very low31.8Very low162 Ų162155.2 Ų155.271%0.71175%0.748SS**  trans62.8132.2150.1-66.7-63.3000118.2
501T27.3Very low32.3Very low130 Ų130153 Ų15380%0.79875%0.751SS**  cis-158.3144.738.336.70000114.1
502H30.4Very low32.8Very low152 Ų152148.8 Ų148.870%0.70475%0.747SS**  trans-17126.2151.8-88-91.7000118.9
503Q32.4Very low33.1Very low164 Ų164151.7 Ų151.777%0.76676%0.758SS**  89.7161.687.7-93.2-158-12.400115
504P44.9Very low33.8Very low107 Ų107149.3 Ų149.370%0.69576%0.758SS**  cis-138.2164-32.534.2-15.9000114.3
505V37.2Very low34.6Very low147 Ų147150.6 Ų150.689%0.89177%0.769SS**PPolyproline II helixtrans-91.6133.5167.1174.90000109.9
506R32.2Very low35.4Very low225 Ų225149 Ų14985%0.84977%0.774SS**PPolyproline II helixtrans-80.3130.8-177.9-136.7178-167.7176.43.4110.8L508R506-L508 HydrophobicContact CB-CD1 4.27Å; R506-L508 HydrophobicContact CG-CD1 3.98Å
507N42.6Very low36.1Very low141 Ų141145.3 Ų145.375%0.75478%0.778SS**PPolyproline II helixtrans-94.2122.9174.9-167.8-22.8000108.8
508L33.4Very low37.1Very low114 Ų114141.4 Ų141.460%0.59778%0.775SS**  trans-133.8111.3174.7-93.697.6000109.8R506R506-L508 HydrophobicContact CB-CD1 4.27Å; R506-L508 HydrophobicContact CG-CD1 3.98Å
509H36.5Very low38.7Very low165 Ų165140 Ų14076%0.76477%0.768SS**  trans86.175.6160.4-52.2-63.6000118.5
510Q34.3Very low39.8Very low182 Ų182141.5 Ų141.585%0.8578%0.779SS**  trans-53.9134.1135.1-76178-23.200111.4
511S38.8Very low41.4Very low117 Ų117138.6 Ų138.682%0.81877%0.771SS**  trans-168.7130148.4-178.40000105.1
512G40.4Very low43.1Very low59 Ų59137.5 Ų137.561%0.60876%0.76SS**  cis131.164.322.300000107.9
513F35.5Very low44.5Very low214 Ų214137.8 Ų137.894%0.93977%0.767SS**  trans-142.8125.2172.4-93.8-80.9000112.2
514S43.1Very low45.9Very low103 Ų103135.3 Ų135.372%0.7276%0.763SS**  trans-104.1145.2178.7176.20000109.6S516S514-S516 PolarHBondContact O-N 3.29Å
515L45.7Very low46.4Very low182 Ų182135.8 Ų135.895%0.95377%0.766SS**  trans-77100.8176-78.7157.8000110.7
516S45.5Very low46.9Very low113 Ų113140.9 Ų140.979%0.7977%0.769SS**  trans-160.5106.4158.853.30000110.7S514S514-S516 PolarHBondContact O-N 3.29Å
517G42.5Very low47.5Very low78 Ų78141.8 Ų141.880%0.80477%0.773SS**  trans-161.1135.6175.200000111.5
518A51.5Low47.4Very low90 Ų90141.6 Ų141.674%0.74478%0.777SS**  trans-58151.7-171.900000114.9
519Q62.2Low47.5Very low145 Ų145143 Ų14368%0.67879%0.79SS**  trans-87.3152.4175-69-173.1-37.400110.2D521 D522Q519-D521 PolarHBondContact O-N 3.25Å; Q519-D522 PolarHBondContact N-OD2 2.94Å; Q519-D522 PolarHBondContact O-N 2.98Å
520I51.8Low47.5Very low182 Ų182143.8 Ų143.893%0.93379%0.794SS**THydrogen-bonded Turntrans-69.1-2.2-162.1-154.3148.9000114.5
521D60.1Low47.6Very low101 Ų101146.7 Ų146.754%0.5480%0.797SS.*THydrogen-bonded Turntrans-122.75.6-174.455.5-25.7000114.2Q519 N523 V524Q519-D521 PolarHBondContact O-N 3.25Å; D521-N523 PolarHBondContact O-N 3.05Å; D521-V524 PolarHBondContact O-N 3.3Å
522D64.3Low47.5Very low106 Ų106148.5 Ų148.557%0.56780%0.796SS**THydrogen-bonded Turntrans-63-10-178.8-76.7-28.9000114.6Q519Q519-D522 PolarHBondContact N-OD2 2.94Å; Q519-D522 PolarHBondContact O-N 2.98Å
523N59.7Low47.3Very low159 Ų159151.6 Ų151.685%0.8580%0.803SS**THydrogen-bonded Turntrans-109.814.5-177.8-72.6-45.4000115D521 P525D521-N523 PolarHBondContact O-N 3.05Å; N523-P525 WeakPolarHBondContact O-CD 3.4Å
524V60.7Low47.4Very low111 Ų111145.3 Ų145.367%0.67379%0.791SS**  trans-95.7112.8177.4-173.50000110.9D521 R526D521-V524 PolarHBondContact O-N 3.3Å; V524-R526 PolarHBondContact O-N 2.99Å
525P55.8Low47.4Very low118 Ų118146.1 Ų146.177%0.76679%0.794SS**  trans-66.9123.1-178.9-16.930.2000111.9N523 R527N523-P525 WeakPolarHBondContact O-CD 3.4Å; P525-R527 PolarHBondContact O-N 3.25Å
526R47.3Very low47.3Very low253 Ų253143.9 Ų143.996%0.95579%0.79SS**  trans-67.4113.9174.5-68.8-177.5177.8-176.7-0.3110.4V524V524-R526 PolarHBondContact O-N 2.99Å
527R44.9Very low46.9Very low245 Ų245141.8 Ų141.893%0.92579%0.786SS**PPolyproline II helixtrans-80.2137.3168.5-97.2-175.6176.4-178.9-0.3111P525P525-R527 PolarHBondContact O-N 3.25Å
528T40.8Very low46.4Very low137 Ų137142 Ų14284%0.8479%0.789SS**PPolyproline II helixtrans-65.2144.517829.70000112.7
529T37Very low45.6Very low142 Ų142147.8 Ų147.887%0.87180%0.797SS**PPolyproline II helixtrans-58.8131.4-17734.60000113.8
530Q36.3Very low44.5Very low183 Ų183144.9 Ų144.986%0.85580%0.798SS**  trans-117.4123.6155.7-91.3-175.5-14.800109
531R36.2Very low43.7Very low243 Ų243143.6 Ų143.692%0.91779%0.793SS**  trans-80.1117178.6-145.9-178.5-169.8-177.42.1107.7
532I36.2Very low42.4Very low155 Ų155145.8 Ų145.880%0.79580%0.803SS**  trans-116.5121.7168.8-62.4179.7000108.5
533V35.8Very low41Very low124 Ų124146.1 Ų146.175%0.75281%0.809SS**  trans-89.4141.3177.5175.50000108.1
534A38.3Very low40Very low82 Ų82143.4 Ų143.468%0.67880%0.802SS**  trans91.3126.1166.900000118.3
535P43.9Very low38.8Very low120 Ų120147 Ų14778%0.77982%0.817SS**  trans-77.1144.5165.531.1-30.6000110.9G537P535-G537 PolarHBondContact O-N 3.27Å
536P43.4Very low37.9Very low134 Ų134148.7 Ų148.787%0.8786%0.856SS**  trans-77.398.6178.96.97.7000110.5
537G35.5Very low37.5Very low69 Ų69143.5 Ų143.571%0.71185%0.851SS**  trans-68.3118.5150.600000108.9P535 K539P535-G537 PolarHBondContact O-N 3.27Å; G537-K539 PolarHBondContact O-N 3.3Å
538G33Very low37.1Very low84 Ų84138.2 Ų138.287%0.86685%0.847SS**  trans-65.5115169.700000109.8
539K34.1Very low36.9Very low210 Ų210138.2 Ų138.291%0.91385%0.848SS**  trans-85.3137.6167-86.7-173.5175.9-179.40110.3G537G537-K539 PolarHBondContact O-N 3.3Å
540A40.1Very low36.9Very low84 Ų84138 Ų13869%0.69485%0.846SS**  trans-54.3154.2165.300000113.8
541N34Very low36.9Very low155 Ų155135.2 Ų135.283%0.82985%0.846SS**  -179.6137.8127.4-82.4-27.2000106.6
542I33.7Very low36.9Very low148 Ų148128 Ų12876%0.75984%0.841SS**  -174.312883.7-92.7-177.6000110.5
543T34.8Very low37Very low112 Ų112126.1 Ų126.169%0.68785%0.845SS**  trans47.9116.3142.963.70000121.6
544S37.9Very low37.1Very low102 Ų102126.2 Ų126.271%0.71385%0.852SS**  63.7114.881.157.90000117.2
545L35.8Very low37Very low186 Ų186129.9 Ų129.997%0.97487%0.866SS**  trans171.6126.6130.1-92.6157.5000110.3
546G37.8Very low36.4Very low155 Ų155130.8 Ų130.8100%1.59887%0.874SS**  trans142.50175.200000112.8

Retrieved 546 of 546 residues in 147.6 ms (Link to these results)

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