A0A096M2Z3_POEFO Loading...

Dehydrogenase/reductase SDR family member 6

AlphaFold DB , UniProt , Accession A0A096M2Z3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 244 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
1M77.1Confident96.2Very high213 Ų21346.7 Ų46.7100%1.04926%0.264SS*.  01380-84.8163.1167.300107.5D5M1-D5 HydrophobicContact CB-CB 4.17Å; M1-D5 HydrophobicContact CG-CB 4.4Å
2G94.2Very high96.4Very high28 Ų2843 Ų4329%0.28924%0.243SC..  trans-73.6166.7175.300000111.3L4 D5 E29G2-L4 PolarHBondContact O-N 2.86Å; G2-D5 WeakPolarHBondContact O-CB 3.5Å; G2-D5 PolarHBondContact O-N 3.13Å; G2-E29 CarbonylContact C-O 3.59Å; G2-E29 WeakPolarHBondContact CA-O 3.19Å
3R98.6Very high96.6Very high89 Ų8942.1 Ų42.134%0.33624%0.244SC..THydrogen-bonded Turntrans-70.1-12-173.4-65.1164.560.4-146.4-0.8114E29 V221 E227R3-E29 WeakPolarHBondContact CB-OE2 3.24Å; R3-E29 WeakPolarHBondContact CG-OE2 3.43Å; R3-E29 PolarHBondContact N-O 3.16Å; R3-E29 PolarHBondContact N-OE2 3.39Å; R3-E29 IonicContact NH1-OE1 3.86Å; R3-V221 VanDerWaalsContact NH1-CG1 3.26Å; R3-E227 WeakPolarHBondContact CG-OE1 3.5Å; R3-E227 IonicContact CZ-OE1 3.78Å; R3-E227 IonicContact CZ-OE2 3.44Å; R3-E227 IonicContact NE-OE1 3.12Å; R3-E227 PolarHBondContact NE-OE1 3.22Å; R3-E227 IonicContact NE-OE2 2.86Å; R3-E227 PolarHBondContact NE-OE2 3.25Å; R3-E227 IonicContact NH2-OE1 3.76Å; R3-E227 IonicContact NH2-OE2 3.7Å; R3-E227 PolarHBondContact NH2-OE2 2.87Å
4L98.8Very high96.8Very high1 Ų139.1 Ų39.11%0.00523%0.227CC..THydrogen-bonded Turntrans-122.721.5179.6-60174.8000111.9G2 G6 K7 I9 F26 E29 G30 A31 V221 A224G2-L4 PolarHBondContact O-N 2.86Å; L4-G6 PolarHBondContact O-N 3.18Å; L4-K7 HydrophobicContact CB-CB 4.41Å; L4-K7 HydrophobicContact CB-CG 4.27Å; L4-K7 HydrophobicContact CD2-CG 4.33Å; L4-K7 WeakPolarHBondContact O-CB 3.19Å; L4-K7 WeakPolarHBondContact O-CG 3.38Å; L4-K7 PolarHBondContact O-N 3.31Å; L4-I9 HydrophobicContact CD1-CD1 4.08Å; L4-F26 HydrophobicContact CD1-CB 4.13Å; L4-F26 HydrophobicContact CD1-CD1 3.44Å; L4-F26 VanDerWaalsContact CD1-CD1 3.44Å; L4-F26 HydrophobicContact CD1-CE1 4.24Å; L4-F26 HydrophobicContact CD1-CG 4.14Å; L4-E29 CarbonylContact C-O 3.1Å; L4-E29 VanDerWaalsContact C-O 3.3Å; L4-E29 WeakPolarHBondContact CA-O 3.08Å; L4-E29 HydrophobicContact CB-CB 3.98Å; L4-E29 HydrophobicContact CD1-CB 4.02Å; L4-E29 HydrophobicContact CG-CB 3.97Å; L4-E29 PolarHBondContact N-O 2.82Å; L4-G30 CarbonylContact O-C 3.49Å; L4-A31 HydrophobicContact CB-CB 3.93Å; L4-A31 HydrophobicContact CD1-CB 4.47Å; L4-A31 WeakPolarHBondContact O-CA 3.44Å; L4-A31 PolarHBondContact O-N 2.82Å; L4-V221 HydrophobicContact CD1-CB 4.5Å; L4-V221 HydrophobicContact CD1-CG1 4.05Å; L4-V221 HydrophobicContact CD1-CG2 4.36Å; L4-V221 HydrophobicContact CG-CG1 4.29Å; L4-A224 HydrophobicContact CD1-CB 4.29Å; L4-A224 HydrophobicContact CD2-CB 3.77Å
5D98.5Very high96.9Very high86 Ų8636.5 Ų36.546%0.4621%0.212SC..THydrogen-bonded Turntrans-52.7126.7178.8-164.664.8000110.8M1 G2 K7 E29M1-D5 HydrophobicContact CB-CB 4.17Å; M1-D5 HydrophobicContact CG-CB 4.4Å; G2-D5 WeakPolarHBondContact O-CB 3.5Å; G2-D5 PolarHBondContact O-N 3.13Å; D5-K7 VanDerWaalsContact C-N 3.27Å; D5-K7 PolarHBondContact O-N 2.89Å; D5-E29 PolarHBondContact N-O 3.11Å
6G96.9Very high97Very high53 Ų5338.3 Ų38.355%0.54622%0.218SC..THydrogen-bonded Turntrans77.5-3-179.900000116.1L4L4-G6 PolarHBondContact O-N 3.18Å
7K98.8Very high97.1Very high29 Ų2936.9 Ų36.913%0.12621%0.213CC..  trans-74.8132.6176.2-62.8-65.5-175.5-174.30111.4L4 D5 I9 A31 R32 D76 D226L4-K7 HydrophobicContact CB-CB 4.41Å; L4-K7 HydrophobicContact CB-CG 4.27Å; L4-K7 HydrophobicContact CD2-CG 4.33Å; L4-K7 WeakPolarHBondContact O-CB 3.19Å; L4-K7 WeakPolarHBondContact O-CG 3.38Å; L4-K7 PolarHBondContact O-N 3.31Å; D5-K7 VanDerWaalsContact C-N 3.27Å; D5-K7 PolarHBondContact O-N 2.89Å; K7-I9 HydrophobicContact CB-CD1 4.32Å; K7-I9 HydrophobicContact CB-CG1 4.11Å; K7-A31 HydrophobicContact CB-CB 4.49Å; K7-A31 CarbonylContact O-C 3.53Å; K7-A31 WeakPolarHBondContact O-CA 3.49Å; K7-R32 PolarHBondContact O-N 2.89Å; K7-D76 HydrophobicContact CD-CB 3.94Å; K7-D226 WeakPolarHBondContact CE-OD2 3.13Å; K7-D226 IonicContact NZ-OD1 3.45Å; K7-D226 PolarHBondContact NZ-OD1 3.05Å; K7-D226 IonicContact NZ-OD2 3.32Å; K7-D226 PolarHBondContact NZ-OD2 3.34Å
8V98.8Very high97.2Very high15 Ų1536.2 Ų36.29%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-94.7116.6166.81790000109.5R32 H74 D76 V77V8-R32 WeakPolarHBondContact CA-O 3.36Å; V8-R32 HydrophobicContact CG2-CB 4.39Å; V8-H74 VanDerWaalsContact CG2-NE2 3.29Å; V8-H74 WeakPolarHBondContact CG2-NE2 3.41Å; V8-D76 PolarHBondContact N-OD2 3.29Å; V8-D76 PolarHBondContact O-N 3.21Å; V8-V77 PolarHBondContact O-N 3.19Å; V8-V77 VanDerWaalsContact O-N 3.13Å
9I98.9Very high97.3Very high0 Ų034.4 Ų34.40%020%0.198CC..EExtended strand (participates in β ladder)trans-119.5129.1-173.9-52.2-168.2000110.3L4 K7 F26 A31 R32 V33 T34 V77 A224L4-I9 HydrophobicContact CD1-CD1 4.08Å; K7-I9 HydrophobicContact CB-CD1 4.32Å; K7-I9 HydrophobicContact CB-CG1 4.11Å; I9-F26 HydrophobicContact CD1-CB 4.13Å; I9-F26 HydrophobicContact CD1-CD1 4.18Å; I9-F26 HydrophobicContact CD1-CD2 4.09Å; I9-F26 HydrophobicContact CD1-CG 3.9Å; I9-F26 HydrophobicContact CG2-CD2 3.82Å; I9-F26 HydrophobicContact CG2-CE2 3.88Å; I9-A31 HydrophobicContact CD1-CB 3.74Å; I9-A31 HydrophobicContact CG1-CB 4.02Å; I9-R32 PolarHBondContact N-O 2.68Å; I9-V33 CarbonylContact O-C 3.3Å; I9-V33 WeakPolarHBondContact O-CA 3.45Å; I9-T34 PolarHBondContact O-N 3.25Å; I9-V77 WeakPolarHBondContact CA-O 3.34Å; I9-V77 HydrophobicContact CB-CB 4.34Å; I9-V77 HydrophobicContact CD1-CB 4.23Å; I9-V77 HydrophobicContact CD1-CG2 4.21Å; I9-V77 HydrophobicContact CG1-CB 3.9Å; I9-V77 HydrophobicContact CG1-CG2 4.11Å; I9-V77 HydrophobicContact CG2-CB 4.07Å; I9-V77 HydrophobicContact CG2-CG1 4.33Å; I9-A224 HydrophobicContact CD1-CB 4.31Å
10V98.9Very high97.4Very high0 Ų036.4 Ų36.40%020%0.203CC..EExtended strand (participates in β ladder)trans-111.9130170.9-178.30000108.5L68 V75 V77 L78 F79 M112 F116V10-L68 HydrophobicContact CG1-CD2 3.95Å; V10-V75 HydrophobicContact CB-CG1 4.39Å; V10-V75 HydrophobicContact CG2-CG1 3.97Å; V10-V75 HydrophobicContact CG2-CG2 3.66Å; V10-V77 PolarHBondContact N-O 2.9Å; V10-L78 HydrophobicContact CB-CD1 4.37Å; V10-L78 HydrophobicContact CG1-CD1 4.42Å; V10-L78 WeakPolarHBondContact O-CA 3.44Å; V10-F79 PolarHBondContact O-N 2.99Å; V10-M112 HydrophobicContact CG1-CE 4.39Å; V10-F116 HydrophobicContact CG1-CE1 4.48Å; V10-F116 HydrophobicContact CG1-CZ 4.09Å; V10-F116 HydrophobicContact CG2-CE1 4.1Å; V10-F116 HydrophobicContact CG2-CZ 4.48Å
11L98.9Very high97.4Very high0 Ų035.1 Ų35.10%020%0.196CC..EExtended strand (participates in β ladder)trans-136.3153.1175.377.4162.8000113.6A14 G19 A22 A23 F26 V33 T34 A35 T36 F79L11-A14 HydrophobicContact CD1-CB 4.33Å; L11-A14 HydrophobicContact CG-CB 4.21Å; L11-G19 WeakPolarHBondContact CD1-O 3.41Å; L11-A22 HydrophobicContact CD1-CB 4.21Å; L11-A23 HydrophobicContact CD1-CB 4.06Å; L11-A23 HydrophobicContact CD2-CB 4.16Å; L11-F26 HydrophobicContact CD1-CE2 4.43Å; L11-V33 HydrophobicContact CD2-CG1 3.28Å; L11-T34 PolarHBondContact N-O 2.95Å; L11-A35 HydrophobicContact CD2-CB 4.15Å; L11-T36 PolarHBondContact O-N 2.98Å; L11-T36 PolarHBondContact O-OG1 2.87Å; L11-F79 VanDerWaalsContact CA-O 3.26Å; L11-F79 WeakPolarHBondContact CA-O 3.2Å; L11-F79 HydrophobicContact CB-CB 3.85Å; L11-F79 HydrophobicContact CB-CD1 4.24Å; L11-F79 HydrophobicContact CB-CG 4.43Å; L11-F79 WeakPolarHBondContact CB-O 3.49Å; L11-F79 HydrophobicContact CD1-CD1 4.15Å
12S98.9Very high98.5Very high2 Ų225 Ų251%0.01415%0.146CC..SBendtrans-101.1169.1174.664.10000113.1A14 T36 F79 V81 A82S12-A14 VanDerWaalsContact C-N 3.27Å; S12-A14 PolarHBondContact O-N 3.45Å; S12-T36 CarbonylContact C-O 3.58Å; S12-T36 VanDerWaalsContact C-O 3.26Å; S12-T36 WeakPolarHBondContact CA-OG1 3.37Å; S12-F79 PolarHBondContact N-O 2.93Å; S12-V81 VanDerWaalsContact O-CB 3.24Å; S12-V81 WeakPolarHBondContact O-CB 3.44Å; S12-V81 WeakPolarHBondContact O-CG2 3.27Å; S12-V81 PolarHBondContact OG-N 2.95Å; S12-A82 PolarHBondContact OG-N 3.44Å
13A98.7Very high98.7Very high31 Ų3123.6 Ų23.626%0.25613%0.133SC..SBendtrans48.143.8178.400000114.6T36 D37 V81 A82A13-T36 PolarHBondContact N-O 3.42Å; A13-D37 WeakPolarHBondContact CA-OD2 3.33Å; A13-V81 HydrophobicContact CB-CB 4.21Å; A13-V81 HydrophobicContact CB-CG1 4.31Å; A13-A82 HydrophobicContact CB-CB 4.07Å
14A98.8Very high98.7Very high0 Ų020.3 Ų20.30%012%0.122CC..THydrogen-bonded Turntrans-86.9-6.9-171.700000114.7L11 S12 Q16 R20 A35 T36 D37 L43 L46L11-A14 HydrophobicContact CD1-CB 4.33Å; L11-A14 HydrophobicContact CG-CB 4.21Å; S12-A14 VanDerWaalsContact C-N 3.27Å; S12-A14 PolarHBondContact O-N 3.45Å; A14-Q16 PolarHBondContact O-N 3.13Å; A14-R20 WeakPolarHBondContact O-CA 3.48Å; A14-R20 WeakPolarHBondContact O-CB 3.36Å; A14-R20 PolarHBondContact O-N 3.08Å; A14-A35 HydrophobicContact CB-CB 3.7Å; A14-T36 PolarHBondContact N-O 2.98Å; A14-D37 PolarHBondContact N-OD2 3.03Å; A14-D37 VanDerWaalsContact N-OD2 3.16Å; A14-L43 HydrophobicContact CB-CD1 4Å; A14-L46 HydrophobicContact CB-CD1 4.16Å; A14-L46 WeakPolarHBondContact O-CD1 3.22Å
15A98.7Very high98.7Very high1 Ų121 Ų211%0.00813%0.127CC..THydrogen-bonded Turntrans-71.2-19.9-176.400000113D37 N39 K42 L43A15-D37 HydrophobicContact CB-CB 3.74Å; A15-D37 VanDerWaalsContact CB-OD2 3.23Å; A15-D37 WeakPolarHBondContact CB-OD2 3.5Å; A15-D37 PolarHBondContact N-OD2 3.45Å; A15-N39 HydrophobicContact CB-CB 4.37Å; A15-K42 HydrophobicContact CB-CB 4.05Å; A15-K42 HydrophobicContact CB-CD 4.33Å; A15-K42 HydrophobicContact CB-CG 4.13Å; A15-K42 WeakPolarHBondContact O-CD 3.25Å; A15-K42 VanDerWaalsContact O-CE 3.31Å; A15-K42 WeakPolarHBondContact O-CE 3.38Å; A15-K42 WeakPolarHBondContact O-CG 3.35Å; A15-L43 HydrophobicContact CB-CB 4.19Å
16Q98.6Very high98.7Very high65 Ų6516.9 Ų16.930%0.30411%0.105SC..SBendtrans-156.4172.8178.763.6-178.529.200114.3A14 R20 K42 P182A14-Q16 PolarHBondContact O-N 3.13Å; Q16-R20 PolarHBondContact O-N 3.38Å; Q16-K42 HydrophobicContact CB-CD 4.34Å; Q16-P182 HydrophobicContact CB-CG 4.28Å
17G98.6Very high98.8Very high14 Ų1415 Ų1514%0.1449%0.085CC..Hα-helixtrans59.3-140.4173.600000113G19 R20 A21G17-G19 VanDerWaalsContact C-N 3.34Å; G17-G19 PolarHBondContact O-N 3.01Å; G17-R20 PolarHBondContact O-N 3.26Å; G17-A21 PolarHBondContact O-N 3.24Å
18I98.9Very high98.8Very high25 Ų2521.3 Ų21.313%0.12811%0.112CC..Hα-helixtrans-60.2-42-176-63.6165.7000111.5R20 A21 A22 M131 P176 V179 T181 V216I18-R20 PolarHBondContact O-N 3.3Å; I18-A21 PolarHBondContact O-N 2.79Å; I18-A22 VanDerWaalsContact O-CB 3.28Å; I18-A22 WeakPolarHBondContact O-CB 3.43Å; I18-A22 PolarHBondContact O-N 2.83Å; I18-M131 HydrophobicContact CD1-CE 3.85Å; I18-M131 HydrophobicContact CG2-CE 4.44Å; I18-M131 HydrophobicContact CG2-SD 4.27Å; I18-P176 HydrophobicContact CD1-CG 4.46Å; I18-V179 HydrophobicContact CD1-CB 4.36Å; I18-V179 HydrophobicContact CD1-CG1 4.24Å; I18-V179 HydrophobicContact CD1-CG2 4.16Å; I18-V179 HydrophobicContact CG1-CG1 4.11Å; I18-T181 HydrophobicContact CG1-CG2 4.35Å; I18-V216 HydrophobicContact CD1-CG1 4.25Å; I18-V216 HydrophobicContact CD1-CG2 4.37Å; I18-V216 HydrophobicContact CG1-CB 4.31Å; I18-V216 HydrophobicContact CG1-CG1 4.35Å; I18-V216 HydrophobicContact CG1-CG2 4.42Å; I18-V216 HydrophobicContact CG2-CB 4.18Å; I18-V216 HydrophobicContact CG2-CG1 3.66Å
19G98.8Very high98.8Very high1 Ų123 Ų231%0.0112%0.119CC..Hα-helixtrans-62.1-43.1179.800000112.1L11 G17 A22 A23L11-G19 WeakPolarHBondContact CD1-O 3.41Å; G17-G19 VanDerWaalsContact C-N 3.34Å; G17-G19 PolarHBondContact O-N 3.01Å; G19-A22 PolarHBondContact O-N 3.16Å; G19-A23 WeakPolarHBondContact O-CB 3.3Å; G19-A23 PolarHBondContact O-N 2.65Å
20R98.9Very high98.8Very high75 Ų7524.5 Ų24.528%0.28313%0.134SC..Hα-helixtrans-62.8-47.5175.7-166.9-175.6-177.7-81.42.4112.2A14 Q16 G17 I18 A22 A23 I24 E45 L46A14-R20 WeakPolarHBondContact O-CA 3.48Å; A14-R20 WeakPolarHBondContact O-CB 3.36Å; A14-R20 PolarHBondContact O-N 3.08Å; Q16-R20 PolarHBondContact O-N 3.38Å; G17-R20 PolarHBondContact O-N 3.26Å; I18-R20 PolarHBondContact O-N 3.3Å; R20-A22 VanDerWaalsContact C-N 3.31Å; R20-A22 PolarHBondContact O-N 3Å; R20-A23 PolarHBondContact O-N 3.44Å; R20-I24 HydrophobicContact CG-CD1 4.18Å; R20-I24 VanDerWaalsContact NH1-CD1 3.25Å; R20-I24 WeakPolarHBondContact O-CG1 3.44Å; R20-I24 PolarHBondContact O-N 2.8Å; R20-I24 VanDerWaalsContact O-N 3.16Å; R20-E45 IonicContact NH2-OE2 3.81Å; R20-L46 HydrophobicContact CG-CD2 3.92Å
21A98.9Very high98.8Very high9 Ų924.6 Ų24.67%0.07414%0.135CC..Hα-helixtrans-61.7-41.2178.700000111.3G17 I18 A25 A213 A217G17-A21 PolarHBondContact O-N 3.24Å; I18-A21 PolarHBondContact O-N 2.79Å; A21-A25 VanDerWaalsContact O-CB 3.27Å; A21-A25 WeakPolarHBondContact O-CB 3.45Å; A21-A25 PolarHBondContact O-N 2.88Å; A21-A213 HydrophobicContact CB-CB 3.69Å; A21-A213 WeakPolarHBondContact CB-O 3.47Å; A21-A217 HydrophobicContact CB-CB 3.92Å
22A98.9Very high98.8Very high0 Ų033.2 Ų33.20%017%0.168CC..Hα-helixtrans-65.4-45.5176.400000112.5L11 I18 G19 R20 I24 A25 F26 F79 A217L11-A22 HydrophobicContact CD1-CB 4.21Å; I18-A22 VanDerWaalsContact O-CB 3.28Å; I18-A22 WeakPolarHBondContact O-CB 3.43Å; I18-A22 PolarHBondContact O-N 2.83Å; G19-A22 PolarHBondContact O-N 3.16Å; R20-A22 VanDerWaalsContact C-N 3.31Å; R20-A22 PolarHBondContact O-N 3Å; A22-I24 VanDerWaalsContact C-N 3.31Å; A22-I24 PolarHBondContact O-N 3.33Å; A22-A25 PolarHBondContact O-N 2.86Å; A22-F26 HydrophobicContact CB-CD2 4.45Å; A22-F26 HydrophobicContact CB-CE2 3.98Å; A22-F26 HydrophobicContact CB-CZ 4.18Å; A22-F26 WeakPolarHBondContact O-CB 3.34Å; A22-F26 WeakPolarHBondContact O-CD2 3.35Å; A22-F26 WeakPolarHBondContact O-CG 3.1Å; A22-F26 PolarHBondContact O-N 3.12Å; A22-F79 HydrophobicContact CB-CD1 4.11Å; A22-F79 HydrophobicContact CB-CE1 3.64Å; A22-A217 HydrophobicContact CB-CB 4.35Å
23A98.9Very high98.8Very high0 Ų033.2 Ų33.20%017%0.168CC..Hα-helixtrans-55.3-47.4176.900000111.6L11 G19 R20 A27 V33 A35 L46 I52L11-A23 HydrophobicContact CD1-CB 4.06Å; L11-A23 HydrophobicContact CD2-CB 4.16Å; G19-A23 WeakPolarHBondContact O-CB 3.3Å; G19-A23 PolarHBondContact O-N 2.65Å; R20-A23 PolarHBondContact O-N 3.44Å; A23-A27 WeakPolarHBondContact O-CB 3.33Å; A23-A27 PolarHBondContact O-N 3.3Å; A23-A27 VanDerWaalsContact O-N 3.11Å; A23-V33 HydrophobicContact CB-CG1 4.28Å; A23-A35 HydrophobicContact CB-CB 4.29Å; A23-L46 HydrophobicContact CB-CD1 3.98Å; A23-I52 HydrophobicContact CB-CD1 4.17Å
24I98.9Very high98.8Very high20 Ų2032.1 Ų32.110%0.10316%0.158CC..Hα-helixtrans-66.1-44.9178.6-65.8168.1000111.1R20 A22 A27 K28 L46 F49 I52R20-I24 HydrophobicContact CG-CD1 4.18Å; R20-I24 VanDerWaalsContact NH1-CD1 3.25Å; R20-I24 WeakPolarHBondContact O-CG1 3.44Å; R20-I24 PolarHBondContact O-N 2.8Å; R20-I24 VanDerWaalsContact O-N 3.16Å; A22-I24 VanDerWaalsContact C-N 3.31Å; A22-I24 PolarHBondContact O-N 3.33Å; I24-A27 PolarHBondContact O-N 2.71Å; I24-K28 HydrophobicContact CG2-CD 4.15Å; I24-K28 WeakPolarHBondContact O-CB 3.4Å; I24-K28 WeakPolarHBondContact O-CG 3.27Å; I24-K28 PolarHBondContact O-N 2.87Å; I24-L46 HydrophobicContact CD1-CD2 3.86Å; I24-L46 HydrophobicContact CG1-CD2 3.68Å; I24-F49 HydrophobicContact CD1-CE1 4.11Å; I24-F49 HydrophobicContact CD1-CE2 3.97Å; I24-F49 HydrophobicContact CD1-CZ 3.7Å; I24-F49 HydrophobicContact CG1-CD1 4.22Å; I24-F49 HydrophobicContact CG1-CD2 4.31Å; I24-F49 HydrophobicContact CG1-CE1 4.07Å; I24-F49 HydrophobicContact CG1-CE2 4.16Å; I24-F49 HydrophobicContact CG1-CG 4.34Å; I24-F49 HydrophobicContact CG1-CZ 4.04Å; I24-F49 HydrophobicContact CG2-CD1 4.08Å; I24-F49 HydrophobicContact CG2-CE1 3.85Å; I24-I52 HydrophobicContact CG1-CD1 4.41Å
25A98.9Very high98.8Very high15 Ų1532.1 Ų32.112%0.12416%0.158CC..Hα-helixtrans-63.6-42.1179.600000111.8A21 A22 K28 E29 A217 V221A21-A25 VanDerWaalsContact O-CB 3.27Å; A21-A25 WeakPolarHBondContact O-CB 3.45Å; A21-A25 PolarHBondContact O-N 2.88Å; A22-A25 PolarHBondContact O-N 2.86Å; A25-K28 PolarHBondContact O-N 3.23Å; A25-E29 WeakPolarHBondContact O-CG 3.35Å; A25-E29 PolarHBondContact O-N 2.91Å; A25-A217 HydrophobicContact CB-CB 3.98Å; A25-V221 HydrophobicContact CB-CG2 3.83Å
26F98.9Very high98.8Very high0 Ų032.1 Ų32.10%016%0.158CC..Hα-helixtrans-61.1-47.2176.6-65.9-27.6000112.2L4 I9 L11 A22 E29 G30 A31 V33 F79 C220 V221 A224L4-F26 HydrophobicContact CD1-CB 4.13Å; L4-F26 HydrophobicContact CD1-CD1 3.44Å; L4-F26 VanDerWaalsContact CD1-CD1 3.44Å; L4-F26 HydrophobicContact CD1-CE1 4.24Å; L4-F26 HydrophobicContact CD1-CG 4.14Å; I9-F26 HydrophobicContact CD1-CB 4.13Å; I9-F26 HydrophobicContact CD1-CD1 4.18Å; I9-F26 HydrophobicContact CD1-CD2 4.09Å; I9-F26 HydrophobicContact CD1-CG 3.9Å; I9-F26 HydrophobicContact CG2-CD2 3.82Å; I9-F26 HydrophobicContact CG2-CE2 3.88Å; L11-F26 HydrophobicContact CD1-CE2 4.43Å; A22-F26 HydrophobicContact CB-CD2 4.45Å; A22-F26 HydrophobicContact CB-CE2 3.98Å; A22-F26 HydrophobicContact CB-CZ 4.18Å; A22-F26 WeakPolarHBondContact O-CB 3.34Å; A22-F26 WeakPolarHBondContact O-CD2 3.35Å; A22-F26 WeakPolarHBondContact O-CG 3.1Å; A22-F26 PolarHBondContact O-N 3.12Å; F26-E29 CarbonylContact O-C 3.6Å; F26-E29 PolarHBondContact O-N 3.44Å; F26-E29 VanDerWaalsContact O-N 3.13Å; F26-G30 PolarHBondContact O-N 2.86Å; F26-A31 HydrophobicContact CB-CB 4.09Å; F26-A31 VanDerWaalsContact O-CB 3.24Å; F26-A31 WeakPolarHBondContact O-CB 3.46Å; F26-A31 PolarHBondContact O-N 3.13Å; F26-A31 VanDerWaalsContact O-N 3.13Å; F26-V33 HydrophobicContact CB-CG2 3.69Å; F26-F79 AromaticContact CE2-CD1 3.84Å; F26-F79 HydrophobicContact CE2-CD1 3.84Å; F26-F79 AromaticContact CZ-CD1 3.99Å; F26-F79 HydrophobicContact CZ-CD1 3.99Å; F26-F79 HydrophobicContact CZ-CE1 4.47Å; F26-C220 HydrophobicContact CE1-CB 3.98Å; F26-C220 HydrophobicContact CZ-CB 3.85Å; F26-V221 HydrophobicContact CD1-CG2 3.86Å; F26-V221 HydrophobicContact CE1-CG2 4.14Å; F26-A224 HydrophobicContact CE1-CB 3.89Å; F26-A224 HydrophobicContact CZ-CB 4.36Å
27A98.8Very high98.8Very high14 Ų1429.8 Ų29.812%0.11615%0.148CC..Hα-helixtrans-63.8-41.8179.900000112.3A23 I24 E29 G30 V33 E50 I52A23-A27 WeakPolarHBondContact O-CB 3.33Å; A23-A27 PolarHBondContact O-N 3.3Å; A23-A27 VanDerWaalsContact O-N 3.11Å; I24-A27 PolarHBondContact O-N 2.71Å; A27-E29 PolarHBondContact O-N 3.35Å; A27-G30 PolarHBondContact O-N 2.81Å; A27-V33 HydrophobicContact CB-CG2 4.2Å; A27-E50 WeakPolarHBondContact CB-O 3.36Å; A27-I52 HydrophobicContact CB-CD1 3.9Å; A27-I52 HydrophobicContact CB-CG1 3.49Å; A27-I52 VanDerWaalsContact CB-CG1 3.49Å
28K98.6Very high98.8Very high161 Ų16134.7 Ų34.770%0.717%0.169SC*.Hα-helixtrans-60-25.7174.4-76.1-179.7176.4-177.30113.4I24 A25 G30I24-K28 HydrophobicContact CG2-CD 4.15Å; I24-K28 WeakPolarHBondContact O-CB 3.4Å; I24-K28 WeakPolarHBondContact O-CG 3.27Å; I24-K28 PolarHBondContact O-N 2.87Å; A25-K28 PolarHBondContact O-N 3.23Å; K28-G30 VanDerWaalsContact C-N 3.33Å
29E98.8Very high98.8Very high49 Ų4936.8 Ų36.823%0.22918%0.18CC..THydrogen-bonded Turntrans-92.510.1177.8-66.5-74.7-173.400112.9G2 R3 L4 D5 A25 F26 A27 V221G2-E29 CarbonylContact C-O 3.59Å; G2-E29 WeakPolarHBondContact CA-O 3.19Å; R3-E29 WeakPolarHBondContact CB-OE2 3.24Å; R3-E29 WeakPolarHBondContact CG-OE2 3.43Å; R3-E29 PolarHBondContact N-O 3.16Å; R3-E29 PolarHBondContact N-OE2 3.39Å; R3-E29 IonicContact NH1-OE1 3.86Å; L4-E29 CarbonylContact C-O 3.1Å; L4-E29 VanDerWaalsContact C-O 3.3Å; L4-E29 WeakPolarHBondContact CA-O 3.08Å; L4-E29 HydrophobicContact CB-CB 3.98Å; L4-E29 HydrophobicContact CD1-CB 4.02Å; L4-E29 HydrophobicContact CG-CB 3.97Å; L4-E29 PolarHBondContact N-O 2.82Å; D5-E29 PolarHBondContact N-O 3.11Å; A25-E29 WeakPolarHBondContact O-CG 3.35Å; A25-E29 PolarHBondContact O-N 2.91Å; F26-E29 CarbonylContact O-C 3.6Å; F26-E29 PolarHBondContact O-N 3.44Å; F26-E29 VanDerWaalsContact O-N 3.13Å; A27-E29 PolarHBondContact O-N 3.35Å; E29-V221 HydrophobicContact CG-CG1 3.91Å; E29-V221 HydrophobicContact CG-CG2 4.44Å
30G98.4Very high98.7Very high32 Ų3237.6 Ų37.633%0.3319%0.189SC..THydrogen-bonded Turntrans92.38.4173.400000115.3L4 F26 A27 K28L4-G30 CarbonylContact O-C 3.49Å; F26-G30 PolarHBondContact O-N 2.86Å; A27-G30 PolarHBondContact O-N 2.81Å; K28-G30 VanDerWaalsContact C-N 3.33Å
31A98.8Very high98.7Very high2 Ų242 Ų422%0.01721%0.213CC..  trans-75148.9176.700000112.2L4 K7 I9 F26 V33L4-A31 HydrophobicContact CB-CB 3.93Å; L4-A31 HydrophobicContact CD1-CB 4.47Å; L4-A31 WeakPolarHBondContact O-CA 3.44Å; L4-A31 PolarHBondContact O-N 2.82Å; K7-A31 HydrophobicContact CB-CB 4.49Å; K7-A31 CarbonylContact O-C 3.53Å; K7-A31 WeakPolarHBondContact O-CA 3.49Å; I9-A31 HydrophobicContact CD1-CB 3.74Å; I9-A31 HydrophobicContact CG1-CB 4.02Å; F26-A31 HydrophobicContact CB-CB 4.09Å; F26-A31 VanDerWaalsContact O-CB 3.24Å; F26-A31 WeakPolarHBondContact O-CB 3.46Å; F26-A31 PolarHBondContact O-N 3.13Å; F26-A31 VanDerWaalsContact O-N 3.13Å; A31-V33 HydrophobicContact CB-CG2 3.95Å
32R98.7Very high98.6Very high181 Ų18144.3 Ų44.368%0.68322%0.221SC*.EExtended strand (participates in β ladder)trans-89.8109.7163.6-64.6176.465.8131.10.2108.5K7 V8 I9K7-R32 PolarHBondContact O-N 2.89Å; V8-R32 WeakPolarHBondContact CA-O 3.36Å; V8-R32 HydrophobicContact CG2-CB 4.39Å; I9-R32 PolarHBondContact N-O 2.68Å
33V98.9Very high98.6Very high3 Ų344.4 Ų44.42%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-108.2122.5-169.3-176.70000110.7I9 L11 A23 F26 A27 A31 A35 G51 I52 R53I9-V33 CarbonylContact O-C 3.3Å; I9-V33 WeakPolarHBondContact O-CA 3.45Å; L11-V33 HydrophobicContact CD2-CG1 3.28Å; A23-V33 HydrophobicContact CB-CG1 4.28Å; F26-V33 HydrophobicContact CB-CG2 3.69Å; A27-V33 HydrophobicContact CB-CG2 4.2Å; A31-V33 HydrophobicContact CB-CG2 3.95Å; V33-A35 HydrophobicContact CG1-CB 4.38Å; V33-G51 PolarHBondContact N-O 3.03Å; V33-I52 HydrophobicContact CB-CG1 4.23Å; V33-I52 HydrophobicContact CG1-CG2 4.47Å; V33-I52 CarbonylContact O-C 3.56Å; V33-I52 WeakPolarHBondContact O-CA 3.42Å; V33-R53 PolarHBondContact O-N 3.34Å
34T98.9Very high98.5Very high8 Ų851 Ų515%0.04925%0.25CS..EExtended strand (participates in β ladder)trans-95.4102.5160.9-64.20000109I9 L11 T36 R53 K55 L68 H72I9-T34 PolarHBondContact O-N 3.25Å; L11-T34 PolarHBondContact N-O 2.95Å; T34-T36 HydrophobicContact CG2-CG2 4.02Å; T34-R53 CarbonylContact C-O 3.5Å; T34-R53 WeakPolarHBondContact CA-O 3.42Å; T34-K55 HydrophobicContact CG2-CB 4.49Å; T34-L68 HydrophobicContact CG2-CD1 3.96Å; T34-H72 PolarHBondContact OG1-CE1 3.37Å; T34-H72 PolarHBondContact OG1-NE2 3.11Å
35A98.9Very high98.5Very high0 Ų054.8 Ų54.80%027%0.268CS..EExtended strand (participates in β ladder)trans-90.3124.5179.100000110.2L11 A14 A23 V33 L43 L46 I52 R53 T54 K55L11-A35 HydrophobicContact CD2-CB 4.15Å; A14-A35 HydrophobicContact CB-CB 3.7Å; A23-A35 HydrophobicContact CB-CB 4.29Å; V33-A35 HydrophobicContact CG1-CB 4.38Å; A35-L43 HydrophobicContact CB-CD1 4.22Å; A35-L46 HydrophobicContact CB-CD1 3.87Å; A35-I52 HydrophobicContact CB-CG2 3.74Å; A35-R53 PolarHBondContact N-O 3.33Å; A35-T54 WeakPolarHBondContact O-CA 3.34Å; A35-K55 PolarHBondContact O-N 3.26Å
36T98.9Very high98.5Very high0 Ų054.1 Ų54.10%026%0.262CS..EExtended strand (participates in β ladder)trans-122.5146.6-178.473.40000113.1L11 S12 A13 A14 T34 K55 V57 L68L11-T36 PolarHBondContact O-N 2.98Å; L11-T36 PolarHBondContact O-OG1 2.87Å; S12-T36 CarbonylContact C-O 3.58Å; S12-T36 VanDerWaalsContact C-O 3.26Å; S12-T36 WeakPolarHBondContact CA-OG1 3.37Å; A13-T36 PolarHBondContact N-O 3.42Å; A14-T36 PolarHBondContact N-O 2.98Å; T34-T36 HydrophobicContact CG2-CG2 4.02Å; T36-K55 WeakPolarHBondContact CA-O 3.29Å; T36-K55 WeakPolarHBondContact CB-O 3.19Å; T36-K55 HydrophobicContact CG2-CB 4.23Å; T36-V57 HydrophobicContact CG2-CB 4.41Å; T36-V57 HydrophobicContact CG2-CG2 3.97Å; T36-L68 HydrophobicContact CG2-CD1 4.04Å; T36-L68 HydrophobicContact CG2-CD2 3.88Å
37D98.9Very high98.3Very high17 Ų1758.1 Ų58.19%0.09128%0.283CS..EExtended strand (participates in β ladder)trans-160.8164.2176.8-156-72.3000109.7A13 A14 A15 N39 L43 V56 V57A13-D37 WeakPolarHBondContact CA-OD2 3.33Å; A14-D37 PolarHBondContact N-OD2 3.03Å; A14-D37 VanDerWaalsContact N-OD2 3.16Å; A15-D37 HydrophobicContact CB-CB 3.74Å; A15-D37 VanDerWaalsContact CB-OD2 3.23Å; A15-D37 WeakPolarHBondContact CB-OD2 3.5Å; A15-D37 PolarHBondContact N-OD2 3.45Å; D37-N39 PolarHBondContact OD1-N 2.98Å; D37-L43 HydrophobicContact CB-CB 4.25Å; D37-L43 HydrophobicContact CB-CD1 3.95Å; D37-L43 HydrophobicContact CB-CD2 4.06Å; D37-L43 HydrophobicContact CB-CG 4.3Å; D37-V56 CarbonylContact O-C 3.54Å; D37-V56 VanDerWaalsContact O-CA 3.27Å; D37-V56 WeakPolarHBondContact O-CA 3.49Å; D37-V57 CarbonylContact C-O 3.59Å; D37-V57 PolarHBondContact O-N 2.91Å
38I98.4Very high98.2Very high116 Ų11661.7 Ų61.760%0.59531%0.313SS*.SBendtrans-81.1-27171.258.1172.1000111.8G40 D58I38-G40 PolarHBondContact O-N 3.02Å; I38-D58 HydrophobicContact CG2-CB 3.74Å
39N98.3Very high98.1Very high69 Ų6957.2 Ų57.237%0.36929%0.294SS..  trans-85.487.5177.1-173.3-24.6000110.4A15 D37 E41 K42 L43A15-N39 HydrophobicContact CB-CB 4.37Å; D37-N39 PolarHBondContact OD1-N 2.98Å; N39-E41 VanDerWaalsContact C-N 3.31Å; N39-E41 PolarHBondContact O-N 3.04Å; N39-E41 PolarHBondContact OD1-N 3.47Å; N39-K42 HydrophobicContact CB-CB 4.49Å; N39-K42 PolarHBondContact OD1-N 3.38Å; N39-L43 WeakPolarHBondContact O-CB 3.36Å; N39-L43 PolarHBondContact O-N 3.49Å
40G97.8Very high98.1Very high19 Ų1963.8 Ų63.820%0.19633%0.325CS..Hα-helixtrans-64.9-29.3-178.500000115I38 K44 V56I38-G40 PolarHBondContact O-N 3.02Å; G40-K44 VanDerWaalsContact O-CG 3.3Å; G40-K44 WeakPolarHBondContact O-CG 3.2Å; G40-K44 PolarHBondContact O-N 2.68Å; G40-V56 VanDerWaalsContact CA-CG2 3.48Å
41E97.8Very high98.1Very high168 Ų16864 Ų6479%0.78533%0.327SS*.Hα-helixtrans-68.5-50.9179.6-66.3-175.4163.200111N39 L43 K44N39-E41 VanDerWaalsContact C-N 3.31Å; N39-E41 PolarHBondContact O-N 3.04Å; N39-E41 PolarHBondContact OD1-N 3.47Å; E41-L43 VanDerWaalsContact C-N 3.35Å; E41-K44 PolarHBondContact O-N 3.31Å
42K97.8Very high98.1Very high57 Ų5764.7 Ų64.725%0.24833%0.33CS..Hα-helixtrans-70.8-33.2178.9-169.1174.6-170.8166.40112.1A15 Q16 N39 K44 E45A15-K42 HydrophobicContact CB-CB 4.05Å; A15-K42 HydrophobicContact CB-CD 4.33Å; A15-K42 HydrophobicContact CB-CG 4.13Å; A15-K42 WeakPolarHBondContact O-CD 3.25Å; A15-K42 VanDerWaalsContact O-CE 3.31Å; A15-K42 WeakPolarHBondContact O-CE 3.38Å; A15-K42 WeakPolarHBondContact O-CG 3.35Å; Q16-K42 HydrophobicContact CB-CD 4.34Å; N39-K42 HydrophobicContact CB-CB 4.49Å; N39-K42 PolarHBondContact OD1-N 3.38Å; K42-K44 VanDerWaalsContact C-N 3.31Å; K42-K44 PolarHBondContact O-N 3.27Å; K42-E45 WeakPolarHBondContact O-CB 3.38Å; K42-E45 WeakPolarHBondContact O-CG 3.47Å; K42-E45 PolarHBondContact O-N 3.44Å
43L98.5Very high98Very high1 Ų161.8 Ų61.81%0.00532%0.319CS..Hα-helixtrans-61.7-39.2178-17665.7000112A14 A15 A35 D37 N39 E41 E45 L46 T54 K55A14-L43 HydrophobicContact CB-CD1 4Å; A15-L43 HydrophobicContact CB-CB 4.19Å; A35-L43 HydrophobicContact CB-CD1 4.22Å; D37-L43 HydrophobicContact CB-CB 4.25Å; D37-L43 HydrophobicContact CB-CD1 3.95Å; D37-L43 HydrophobicContact CB-CD2 4.06Å; D37-L43 HydrophobicContact CB-CG 4.3Å; N39-L43 WeakPolarHBondContact O-CB 3.36Å; N39-L43 PolarHBondContact O-N 3.49Å; E41-L43 VanDerWaalsContact C-N 3.35Å; L43-E45 PolarHBondContact O-N 2.69Å; L43-E45 VanDerWaalsContact O-N 3.11Å; L43-L46 HydrophobicContact CD1-CD1 4.08Å; L43-L46 WeakPolarHBondContact O-CB 3.26Å; L43-L46 PolarHBondContact O-N 3.43Å; L43-T54 HydrophobicContact CD1-CG2 4.19Å; L43-T54 HydrophobicContact CG-CG2 3.81Å; L43-T54 VanDerWaalsContact O-CG2 3.25Å; L43-T54 WeakPolarHBondContact O-CG2 3.15Å; L43-K55 WeakPolarHBondContact CD2-O 3.41Å
44K97.6Very high98Very high138 Ų13862.9 Ų62.960%0.633%0.326SS*.G310 helixtrans-58.5-21.8178.6-78.8172.3-179-179.40114.1G40 E41 K42 L46 D47G40-K44 VanDerWaalsContact O-CG 3.3Å; G40-K44 WeakPolarHBondContact O-CG 3.2Å; G40-K44 PolarHBondContact O-N 2.68Å; E41-K44 PolarHBondContact O-N 3.31Å; K42-K44 VanDerWaalsContact C-N 3.31Å; K42-K44 PolarHBondContact O-N 3.27Å; K44-L46 PolarHBondContact O-N 3.19Å; K44-L46 VanDerWaalsContact O-N 3.12Å; K44-D47 WeakPolarHBondContact O-CB 3.3Å; K44-D47 PolarHBondContact O-N 2.74Å
45E98.1Very high98Very high101 Ų10166.1 Ų66.147%0.47234%0.339SS..G310 helixtrans-58.3-24.3172.4-62.1175.7-166.600112.4R20 K42 L43 D47R20-E45 IonicContact NH2-OE2 3.81Å; K42-E45 WeakPolarHBondContact O-CB 3.38Å; K42-E45 WeakPolarHBondContact O-CG 3.47Å; K42-E45 PolarHBondContact O-N 3.44Å; L43-E45 PolarHBondContact O-N 2.69Å; L43-E45 VanDerWaalsContact O-N 3.11Å; E45-D47 VanDerWaalsContact C-N 3.31Å
46L98.6Very high98Very high0 Ų069.8 Ų69.80%036%0.361CS..G310 helixtrans-76.2-14.6176.6-69.2-178.4000113.9A14 R20 A23 I24 A35 L43 K44 A48 F49 I52 T54A14-L46 HydrophobicContact CB-CD1 4.16Å; A14-L46 WeakPolarHBondContact O-CD1 3.22Å; R20-L46 HydrophobicContact CG-CD2 3.92Å; A23-L46 HydrophobicContact CB-CD1 3.98Å; I24-L46 HydrophobicContact CD1-CD2 3.86Å; I24-L46 HydrophobicContact CG1-CD2 3.68Å; A35-L46 HydrophobicContact CB-CD1 3.87Å; L43-L46 HydrophobicContact CD1-CD1 4.08Å; L43-L46 WeakPolarHBondContact O-CB 3.26Å; L43-L46 PolarHBondContact O-N 3.43Å; K44-L46 PolarHBondContact O-N 3.19Å; K44-L46 VanDerWaalsContact O-N 3.12Å; L46-A48 PolarHBondContact O-N 3.41Å; L46-A48 VanDerWaalsContact O-N 3.16Å; L46-F49 HydrophobicContact CD2-CD2 4.1Å; L46-F49 HydrophobicContact CD2-CE2 4.18Å; L46-F49 PolarHBondContact O-N 3.23Å; L46-F49 VanDerWaalsContact O-N 3.08Å; L46-I52 HydrophobicContact CB-CD1 4.5Å; L46-I52 HydrophobicContact CB-CG2 4.09Å; L46-I52 HydrophobicContact CD2-CD1 4.33Å; L46-T54 HydrophobicContact CB-CG2 3.85Å
47D94.8Very high98Very high84 Ų8470 Ų7045%0.44936%0.362SS..G310 helixtrans-65.8-15.7176.6-65.9-29.6000112.2K44 E45 F49 T54K44-D47 WeakPolarHBondContact O-CB 3.3Å; K44-D47 PolarHBondContact O-N 2.74Å; E45-D47 VanDerWaalsContact C-N 3.31Å; D47-F49 PolarHBondContact O-N 3.04Å; D47-T54 WeakPolarHBondContact OD1-CB 3.5Å; D47-T54 WeakPolarHBondContact OD1-CG2 3.46Å; D47-T54 PolarHBondContact OD1-OG1 3.19Å; D47-T54 PolarHBondContact OD2-OG1 3.46Å
48A96.4Very high98Very high90 Ų9071.1 Ų71.174%0.74437%0.368SS*.G310 helixtrans-72.6-10.7173.900000113.7L46L46-A48 PolarHBondContact O-N 3.41Å; L46-A48 VanDerWaalsContact O-N 3.16Å
49F98Very high98Very high66 Ų6666.1 Ų66.129%0.28934%0.343SS..SBendtrans-102.9123.8-179-63.7-94000110.6I24 L46 D47 I52I24-F49 HydrophobicContact CD1-CE1 4.11Å; I24-F49 HydrophobicContact CD1-CE2 3.97Å; I24-F49 HydrophobicContact CD1-CZ 3.7Å; I24-F49 HydrophobicContact CG1-CD1 4.22Å; I24-F49 HydrophobicContact CG1-CD2 4.31Å; I24-F49 HydrophobicContact CG1-CE1 4.07Å; I24-F49 HydrophobicContact CG1-CE2 4.16Å; I24-F49 HydrophobicContact CG1-CG 4.34Å; I24-F49 HydrophobicContact CG1-CZ 4.04Å; I24-F49 HydrophobicContact CG2-CD1 4.08Å; I24-F49 HydrophobicContact CG2-CE1 3.85Å; L46-F49 HydrophobicContact CD2-CD2 4.1Å; L46-F49 HydrophobicContact CD2-CE2 4.18Å; L46-F49 PolarHBondContact O-N 3.23Å; L46-F49 VanDerWaalsContact O-N 3.08Å; D47-F49 PolarHBondContact O-N 3.04Å; F49-I52 HydrophobicContact CB-CD1 3.69Å; F49-I52 HydrophobicContact CB-CG1 4.03Å; F49-I52 HydrophobicContact CG-CD1 4.3Å; F49-I52 PolarHBondContact O-N 3.19Å
50E97.6Very high98Very high188 Ų18863.8 Ų63.888%0.87933%0.332SS*.THydrogen-bonded Turntrans-57.2140.9173.5-173.2176-173.600110.9A27 I52A27-E50 WeakPolarHBondContact CB-O 3.36Å; E50-I52 VanDerWaalsContact C-N 3.28Å; E50-I52 PolarHBondContact O-N 3.28Å
51G97.8Very high98.1Very high36 Ų3667.7 Ų67.737%0.37134%0.343SS..THydrogen-bonded Turntrans84.3-7.7-178.400000114.8V33V33-G51 PolarHBondContact N-O 3.03Å
52I98.8Very high98.1Very high17 Ų1765 Ų659%0.08733%0.329CS..EExtended strand (participates in β ladder)trans-102.7132175.7-49.8-173.9000111A23 I24 A27 V33 A35 L46 F49 E50A23-I52 HydrophobicContact CB-CD1 4.17Å; I24-I52 HydrophobicContact CG1-CD1 4.41Å; A27-I52 HydrophobicContact CB-CD1 3.9Å; A27-I52 HydrophobicContact CB-CG1 3.49Å; A27-I52 VanDerWaalsContact CB-CG1 3.49Å; V33-I52 HydrophobicContact CB-CG1 4.23Å; V33-I52 HydrophobicContact CG1-CG2 4.47Å; V33-I52 CarbonylContact O-C 3.56Å; V33-I52 WeakPolarHBondContact O-CA 3.42Å; A35-I52 HydrophobicContact CB-CG2 3.74Å; L46-I52 HydrophobicContact CB-CD1 4.5Å; L46-I52 HydrophobicContact CB-CG2 4.09Å; L46-I52 HydrophobicContact CD2-CD1 4.33Å; F49-I52 HydrophobicContact CB-CD1 3.69Å; F49-I52 HydrophobicContact CB-CG1 4.03Å; F49-I52 HydrophobicContact CG-CD1 4.3Å; F49-I52 PolarHBondContact O-N 3.19Å; E50-I52 VanDerWaalsContact C-N 3.28Å; E50-I52 PolarHBondContact O-N 3.28Å
53R98.1Very high98.2Very high119 Ų11967.2 Ų67.245%0.44934%0.344SS..EExtended strand (participates in β ladder)trans-115.4131.7165178.4-176.5179.9-140.5-7.1108.8V33 T34 A35 E71V33-R53 PolarHBondContact O-N 3.34Å; T34-R53 CarbonylContact C-O 3.5Å; T34-R53 WeakPolarHBondContact CA-O 3.42Å; A35-R53 PolarHBondContact N-O 3.33Å; R53-E71 IonicContact CZ-OE2 3.2Å; R53-E71 IonicContact NH1-OE2 2.88Å; R53-E71 PolarHBondContact NH1-OE2 2.93Å; R53-E71 IonicContact NH2-OE2 2.71Å; R53-E71 PolarHBondContact NH2-OE2 3.39Å
54T98.7Very high98.2Very high27 Ų2770.5 Ų70.517%0.16636%0.359CS..EExtended strand (participates in β ladder)trans-95.4145.2177.960.80000112.6A35 L43 L46 D47A35-T54 WeakPolarHBondContact O-CA 3.34Å; L43-T54 HydrophobicContact CD1-CG2 4.19Å; L43-T54 HydrophobicContact CG-CG2 3.81Å; L43-T54 VanDerWaalsContact O-CG2 3.25Å; L43-T54 WeakPolarHBondContact O-CG2 3.15Å; L46-T54 HydrophobicContact CB-CG2 3.85Å; D47-T54 WeakPolarHBondContact OD1-CB 3.5Å; D47-T54 WeakPolarHBondContact OD1-CG2 3.46Å; D47-T54 PolarHBondContact OD1-OG1 3.19Å; D47-T54 PolarHBondContact OD2-OG1 3.46Å
55K98.4Very high98.2Very high76 Ų7664 Ų6433%0.3333%0.33SS..EExtended strand (participates in β ladder)trans-147.1127.3172.1-175.778.3-177.7-154.60110.7T34 A35 T36 L43 V57 L68 E71T34-K55 HydrophobicContact CG2-CB 4.49Å; A35-K55 PolarHBondContact O-N 3.26Å; T36-K55 WeakPolarHBondContact CA-O 3.29Å; T36-K55 WeakPolarHBondContact CB-O 3.19Å; T36-K55 HydrophobicContact CG2-CB 4.23Å; L43-K55 WeakPolarHBondContact CD2-O 3.41Å; K55-V57 HydrophobicContact CB-CG2 4.42Å; K55-V57 HydrophobicContact CG-CG2 3.79Å; K55-V57 PolarHBondContact O-N 3.38Å; K55-L68 HydrophobicContact CB-CD1 4.27Å; K55-L68 HydrophobicContact CG-CD1 4.01Å; K55-E71 WeakPolarHBondContact CE-OE1 3.5Å; K55-E71 IonicContact NZ-OE1 2.74Å; K55-E71 PolarHBondContact NZ-OE1 3.41Å
56V98.8Very high98.3Very high76 Ų7662.8 Ų62.846%0.46133%0.325SS..EExtended strand (participates in β ladder)trans-71.6121.2174-176.60000109.6D37 G40D37-V56 CarbonylContact O-C 3.54Å; D37-V56 VanDerWaalsContact O-CA 3.27Å; D37-V56 WeakPolarHBondContact O-CA 3.49Å; G40-V56 VanDerWaalsContact CA-CG2 3.48Å
57V98.8Very high98.3Very high4 Ų465.1 Ų65.12%0.02435%0.345CS..  trans-146125.4179.9-179.20000109.8T36 D37 K55 V59 Q64 V65 L68T36-V57 HydrophobicContact CG2-CB 4.41Å; T36-V57 HydrophobicContact CG2-CG2 3.97Å; D37-V57 CarbonylContact C-O 3.59Å; D37-V57 PolarHBondContact O-N 2.91Å; K55-V57 HydrophobicContact CB-CG2 4.42Å; K55-V57 HydrophobicContact CG-CG2 3.79Å; K55-V57 PolarHBondContact O-N 3.38Å; V57-V59 HydrophobicContact CG1-CG1 4.46Å; V57-Q64 HydrophobicContact CG1-CB 4.19Å; V57-V65 HydrophobicContact CG1-CG2 4.49Å; V57-L68 HydrophobicContact CG2-CB 4.31Å; V57-L68 HydrophobicContact CG2-CD1 4.15Å; V57-L68 HydrophobicContact CG2-CD2 4.19Å; V57-L68 HydrophobicContact CG2-CG 4.43Å
58D98.8Very high98.4Very high41 Ų4161.2 Ų61.222%0.21932%0.324CS..  trans-88.2107.2162.9-178.1-11.2000109.5I38 T60 K61I38-D58 HydrophobicContact CG2-CB 3.74Å; D58-T60 VanDerWaalsContact CG-OG1 3.25Å; D58-T60 PolarHBondContact O-N 3.16Å; D58-T60 VanDerWaalsContact O-N 3.09Å; D58-T60 VanDerWaalsContact OD1-CB 3.32Å; D58-T60 WeakPolarHBondContact OD1-CB 3.43Å; D58-T60 WeakPolarHBondContact OD1-CG2 3.43Å; D58-T60 PolarHBondContact OD1-N 3.46Å; D58-T60 PolarHBondContact OD1-OG1 2.86Å; D58-T60 PolarHBondContact OD2-OG1 3.43Å; D58-K61 HydrophobicContact CB-CB 4.36Å; D58-K61 HydrophobicContact CB-CG 3.72Å; D58-K61 WeakPolarHBondContact O-CB 3.28Å; D58-K61 PolarHBondContact O-N 3.46Å; D58-K61 WeakPolarHBondContact OD2-CE 3.38Å; D58-K61 WeakPolarHBondContact OD2-CG 3.19Å
59V98.7Very high98.6Very high11 Ų1157.2 Ų57.27%0.06729%0.29CS..THydrogen-bonded Turntrans-66.6-7.9-178.4-64.10000114.1V57 A82 S108 M112V57-V59 HydrophobicContact CG1-CG1 4.46Å; V59-A82 HydrophobicContact CG2-CB 3.67Å; V59-S108 WeakPolarHBondContact O-CA 3.36Å; V59-M112 HydrophobicContact CB-CG 4.49Å; V59-M112 HydrophobicContact CG1-CG 4.32Å; V59-M112 HydrophobicContact CG1-SD 4Å
60T98.8Very high98.6Very high21 Ų2162.1 Ų62.113%0.12931%0.311CS..THydrogen-bonded Turntrans-83.3-16.217174.60000112.7D58 V104 R107D58-T60 VanDerWaalsContact CG-OG1 3.25Å; D58-T60 PolarHBondContact O-N 3.16Å; D58-T60 VanDerWaalsContact O-N 3.09Å; D58-T60 VanDerWaalsContact OD1-CB 3.32Å; D58-T60 WeakPolarHBondContact OD1-CB 3.43Å; D58-T60 WeakPolarHBondContact OD1-CG2 3.43Å; D58-T60 PolarHBondContact OD1-N 3.46Å; D58-T60 PolarHBondContact OD1-OG1 2.86Å; D58-T60 PolarHBondContact OD2-OG1 3.43Å; T60-V104 HydrophobicContact CG2-CG2 3.92Å; T60-R107 PolarHBondContact O-NH1 3.33Å
61K98.8Very high98.6Very high101 Ų10156.5 Ų56.544%0.43929%0.285SS..  trans-96.8107-177.7-54.9-62.6179.7-178.50110.3D58 D63 Q64 V65D58-K61 HydrophobicContact CB-CB 4.36Å; D58-K61 HydrophobicContact CB-CG 3.72Å; D58-K61 WeakPolarHBondContact O-CB 3.28Å; D58-K61 PolarHBondContact O-N 3.46Å; D58-K61 WeakPolarHBondContact OD2-CE 3.38Å; D58-K61 WeakPolarHBondContact OD2-CG 3.19Å; K61-D63 VanDerWaalsContact C-N 3.31Å; K61-D63 WeakPolarHBondContact CB-OD1 3.48Å; K61-D63 PolarHBondContact O-N 3.35Å; K61-Q64 HydrophobicContact CB-CB 4.14Å; K61-Q64 HydrophobicContact CB-CG 3.89Å; K61-Q64 PolarHBondContact O-N 2.86Å; K61-V65 PolarHBondContact O-N 2.73Å; K61-V65 VanDerWaalsContact O-N 3.16Å
62K98.6Very high98.6Very high111 Ų11155.5 Ų55.548%0.48327%0.271SS..Hα-helixtrans-55.6-45-176.1176.3-176.8167.5-1720112.4Q64 V65 E66 L111K62-Q64 VanDerWaalsContact C-N 3.33Å; K62-Q64 PolarHBondContact O-N 3.13Å; K62-V65 PolarHBondContact O-N 3.19Å; K62-E66 WeakPolarHBondContact CE-OE1 3.47Å; K62-E66 HydrophobicContact CG-CG 4.39Å; K62-E66 IonicContact NZ-OE1 3.9Å; K62-E66 WeakPolarHBondContact O-CG 3.12Å; K62-E66 PolarHBondContact O-N 3.04Å; K62-L111 HydrophobicContact CB-CD1 4.36Å; K62-L111 HydrophobicContact CB-CD2 4.27Å; K62-L111 HydrophobicContact CG-CD2 4.25Å
63D98.8Very high98.5Very high103 Ų10361.9 Ų61.955%0.55131%0.305SS*.Hα-helixtrans-60-39.7179.658.2-47.9000112.4K61 A67K61-D63 VanDerWaalsContact C-N 3.31Å; K61-D63 WeakPolarHBondContact CB-OD1 3.48Å; K61-D63 PolarHBondContact O-N 3.35Å; D63-A67 WeakPolarHBondContact O-CB 3.21Å; D63-A67 PolarHBondContact O-N 3.27Å
64Q98.8Very high98.4Very high71 Ų7159.8 Ų59.833%0.33230%0.3SS..Hα-helixtrans-70.1-39.8176.5-61.3-170.622.100112.3V57 K61 K62 A67 L68V57-Q64 HydrophobicContact CG1-CB 4.19Å; K61-Q64 HydrophobicContact CB-CB 4.14Å; K61-Q64 HydrophobicContact CB-CG 3.89Å; K61-Q64 PolarHBondContact O-N 2.86Å; K62-Q64 VanDerWaalsContact C-N 3.33Å; K62-Q64 PolarHBondContact O-N 3.13Å; Q64-A67 PolarHBondContact O-N 3.12Å; Q64-L68 WeakPolarHBondContact O-CB 3.47Å; Q64-L68 PolarHBondContact O-N 3.46Å
65V98.9Very high98.4Very high0 Ų058.6 Ų58.60%029%0.293CS..Hα-helixtrans-63.8-43.3175.1174.10000111.2V57 K61 K62 L68 A69 M112 T115V57-V65 HydrophobicContact CG1-CG2 4.49Å; K61-V65 PolarHBondContact O-N 2.73Å; K61-V65 VanDerWaalsContact O-N 3.16Å; K62-V65 PolarHBondContact O-N 3.19Å; V65-L68 PolarHBondContact O-N 3.25Å; V65-A69 PolarHBondContact O-N 3.48Å; V65-M112 HydrophobicContact CB-SD 4.23Å; V65-M112 HydrophobicContact CG1-CG 4.42Å; V65-M112 HydrophobicContact CG1-SD 3.57Å; V65-M112 VanDerWaalsContact CG1-SD 3.57Å; V65-M112 HydrophobicContact CG2-SD 3.7Å; V65-T115 HydrophobicContact CG1-CG2 4.12Å
66E98.7Very high98.4Very high76 Ų7655.6 Ų55.636%0.35528%0.28SS..Hα-helixtrans-65-39.2175.6-73.8177.9164.400112.2K62 A69 K70 T115K62-E66 WeakPolarHBondContact CE-OE1 3.47Å; K62-E66 HydrophobicContact CG-CG 4.39Å; K62-E66 IonicContact NZ-OE1 3.9Å; K62-E66 WeakPolarHBondContact O-CG 3.12Å; K62-E66 PolarHBondContact O-N 3.04Å; E66-A69 PolarHBondContact O-N 3.37Å; E66-K70 WeakPolarHBondContact O-CG 3.34Å; E66-K70 PolarHBondContact O-N 3.36Å; E66-T115 HydrophobicContact CG-CG2 4.28Å
67A98.7Very high98.4Very high50 Ų5052 Ų5241%0.41326%0.259SS..Hα-helixtrans-63.5-45174.500000111.6D63 Q64 A69 K70D63-A67 WeakPolarHBondContact O-CB 3.21Å; D63-A67 PolarHBondContact O-N 3.27Å; Q64-A67 PolarHBondContact O-N 3.12Å; A67-A69 PolarHBondContact O-N 3.07Å; A67-K70 PolarHBondContact O-N 3.36Å
68L98.7Very high98.4Very high2 Ų251.8 Ų51.81%0.0126%0.258CS..Hα-helixtrans-57.4-47.8175.9178.970.9000111.2V10 T34 T36 K55 V57 Q64 V65 K70 E71 H72 M112 F116V10-L68 HydrophobicContact CG1-CD2 3.95Å; T34-L68 HydrophobicContact CG2-CD1 3.96Å; T36-L68 HydrophobicContact CG2-CD1 4.04Å; T36-L68 HydrophobicContact CG2-CD2 3.88Å; K55-L68 HydrophobicContact CB-CD1 4.27Å; K55-L68 HydrophobicContact CG-CD1 4.01Å; V57-L68 HydrophobicContact CG2-CB 4.31Å; V57-L68 HydrophobicContact CG2-CD1 4.15Å; V57-L68 HydrophobicContact CG2-CD2 4.19Å; V57-L68 HydrophobicContact CG2-CG 4.43Å; Q64-L68 WeakPolarHBondContact O-CB 3.47Å; Q64-L68 PolarHBondContact O-N 3.46Å; V65-L68 PolarHBondContact O-N 3.25Å; L68-K70 VanDerWaalsContact C-N 3.26Å; L68-K70 PolarHBondContact O-N 3.44Å; L68-E71 WeakPolarHBondContact O-CB 3.26Å; L68-E71 PolarHBondContact O-N 2.73Å; L68-H72 PolarHBondContact O-CD2 3.45Å; L68-M112 HydrophobicContact CD2-CE 4.32Å; L68-F116 HydrophobicContact CD2-CE2 4.09Å; L68-F116 HydrophobicContact CD2-CZ 3.81Å; L68-F116 HydrophobicContact CG-CZ 3.93Å
69A98.5Very high98.4Very high5 Ų549.9 Ų49.94%0.04125%0.247CC..Hα-helixtrans-63.4-31.2-178.600000113.1V65 E66 A67 E71 H72 T115 F116 K119V65-A69 PolarHBondContact O-N 3.48Å; E66-A69 PolarHBondContact O-N 3.37Å; A67-A69 PolarHBondContact O-N 3.07Å; A69-E71 PolarHBondContact O-N 3.34Å; A69-H72 PolarHBondContact O-N 2.86Å; A69-T115 HydrophobicContact CB-CG2 3.37Å; A69-F116 HydrophobicContact CB-CD1 4.3Å; A69-F116 HydrophobicContact CB-CD2 4.45Å; A69-F116 HydrophobicContact CB-CE1 3.91Å; A69-F116 HydrophobicContact CB-CE2 4.06Å; A69-F116 HydrophobicContact CB-CZ 3.77Å; A69-K119 WeakPolarHBondContact O-CE 3.41Å; A69-K119 PolarHBondContact O-NZ 3.29Å
70K98.3Very high98.4Very high169 Ų16949.4 Ų49.474%0.73525%0.245SC*.Hα-helixtrans-65.6-20175.1-71.5170.1-175.3174.70113.3E66 A67 L68 H72E66-K70 WeakPolarHBondContact O-CG 3.34Å; E66-K70 PolarHBondContact O-N 3.36Å; A67-K70 PolarHBondContact O-N 3.36Å; L68-K70 VanDerWaalsContact C-N 3.26Å; L68-K70 PolarHBondContact O-N 3.44Å; K70-H72 PolarHBondContact O-N 3.39Å
71E97.7Very high98.4Very high70 Ų7049.3 Ų49.333%0.32724%0.244SC..THydrogen-bonded Turntrans-80.4-2.8176.7-57.2-173.3-160.700113.5R53 K55 L68 A69R53-E71 IonicContact CZ-OE2 3.2Å; R53-E71 IonicContact NH1-OE2 2.88Å; R53-E71 PolarHBondContact NH1-OE2 2.93Å; R53-E71 IonicContact NH2-OE2 2.71Å; R53-E71 PolarHBondContact NH2-OE2 3.39Å; K55-E71 WeakPolarHBondContact CE-OE1 3.5Å; K55-E71 IonicContact NZ-OE1 2.74Å; K55-E71 PolarHBondContact NZ-OE1 3.41Å; L68-E71 WeakPolarHBondContact O-CB 3.26Å; L68-E71 PolarHBondContact O-N 2.73Å; A69-E71 PolarHBondContact O-N 3.34Å
72H97.9Very high98.4Very high16 Ų1645 Ų457%0.07423%0.227CC..  trans-123.3118.4-175.8-75.9-92.3000110.9T34 L68 A69 K70 H74 V75 K119T34-H72 PolarHBondContact OG1-CE1 3.37Å; T34-H72 PolarHBondContact OG1-NE2 3.11Å; L68-H72 PolarHBondContact O-CD2 3.45Å; A69-H72 PolarHBondContact O-N 2.86Å; K70-H72 PolarHBondContact O-N 3.39Å; H72-H74 VanDerWaalsContact C-N 3.33Å; H72-V75 HydrophobicContact CB-CG2 3.93Å; H72-K119 WeakPolarHBondContact O-CE 3.3Å; H72-K119 PolarHBondContact O-NZ 3.46Å
73D96.4Very high98.4Very high150 Ų15041.7 Ų41.780%0.80223%0.225SC*.SBendtrans-67.6-38.7171.5-62.5-33000110.9
74H96.4Very high98.4Very high76 Ų7640.8 Ų40.835%0.35222%0.216SC..  trans-144.2161.4175.669.8-78.3000111.5V8 H72 D76V8-H74 VanDerWaalsContact CG2-NE2 3.29Å; V8-H74 WeakPolarHBondContact CG2-NE2 3.41Å; H72-H74 VanDerWaalsContact C-N 3.33Å; H74-D76 IonicContact CD2-OD2 3.64Å
75V98.5Very high98.4Very high2 Ų238.5 Ų38.51%0.01221%0.207CC..  trans-142.9127.5172.8174.90000107.7V10 H72 V77 F116 M120V10-V75 HydrophobicContact CB-CG1 4.39Å; V10-V75 HydrophobicContact CG2-CG1 3.97Å; V10-V75 HydrophobicContact CG2-CG2 3.66Å; H72-V75 HydrophobicContact CB-CG2 3.93Å; V75-V77 WeakPolarHBondContact CG1-O 3.41Å; V75-F116 HydrophobicContact CB-CD1 4.34Å; V75-F116 HydrophobicContact CG2-CD1 3.72Å; V75-F116 HydrophobicContact CG2-CE1 3.81Å; V75-M120 HydrophobicContact CG1-CE 4.08Å
76D98.9Very high98.3Very high12 Ų1239.3 Ų39.36%0.06421%0.211CC..SBendtrans-87.3-38.1176.9-59.3-65.5000111.3K7 V8 H74 K123 N127K7-D76 HydrophobicContact CD-CB 3.94Å; V8-D76 PolarHBondContact N-OD2 3.29Å; V8-D76 PolarHBondContact O-N 3.21Å; H74-D76 IonicContact CD2-OD2 3.64Å; D76-K123 IonicContact OD1-NZ 3.3Å; D76-K123 PolarHBondContact OD1-NZ 3.17Å; D76-N127 PolarHBondContact O-N 3.34Å
77V98.9Very high98.2Very high1 Ų139.7 Ų39.71%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-131.2127.1-178.7-169.90000111.3V8 I9 V10 V75 N127 I129 A224V8-V77 PolarHBondContact O-N 3.19Å; V8-V77 VanDerWaalsContact O-N 3.13Å; I9-V77 WeakPolarHBondContact CA-O 3.34Å; I9-V77 HydrophobicContact CB-CB 4.34Å; I9-V77 HydrophobicContact CD1-CB 4.23Å; I9-V77 HydrophobicContact CD1-CG2 4.21Å; I9-V77 HydrophobicContact CG1-CB 3.9Å; I9-V77 HydrophobicContact CG1-CG2 4.11Å; I9-V77 HydrophobicContact CG2-CB 4.07Å; I9-V77 HydrophobicContact CG2-CG1 4.33Å; V10-V77 PolarHBondContact N-O 2.9Å; V75-V77 WeakPolarHBondContact CG1-O 3.41Å; V77-N127 CarbonylContact C-O 3.35Å; V77-N127 VanDerWaalsContact CA-O 3.26Å; V77-N127 WeakPolarHBondContact CA-O 3.31Å; V77-N127 HydrophobicContact CG2-CB 4.27Å; V77-I129 HydrophobicContact CG1-CD1 3.99Å; V77-I129 HydrophobicContact CG1-CG1 4.37Å; V77-A224 HydrophobicContact CG1-CB 4.22Å; V77-A224 HydrophobicContact CG2-CB 4.23Å
78L99Very high98.1Very high0 Ų037.3 Ų37.30%019%0.193CC..EExtended strand (participates in β ladder)trans-106.9122.5166.5173.467.5000108.9V10 M112 F116 M120 N127 I128 I129V10-L78 HydrophobicContact CB-CD1 4.37Å; V10-L78 HydrophobicContact CG1-CD1 4.42Å; V10-L78 WeakPolarHBondContact O-CA 3.44Å; L78-M112 HydrophobicContact CD1-CB 4.5Å; L78-M112 HydrophobicContact CD1-CE 3.62Å; L78-M112 HydrophobicContact CD2-CB 4.13Å; L78-F116 HydrophobicContact CD1-CD2 4.28Å; L78-F116 HydrophobicContact CD2-CB 4.16Å; L78-M120 HydrophobicContact CB-CE 3.78Å; L78-N127 PolarHBondContact N-O 2.92Å; L78-I128 HydrophobicContact CB-CG1 4.32Å; L78-I128 WeakPolarHBondContact O-CA 3.4Å; L78-I129 PolarHBondContact O-N 3.23Å
79F98.9Very high98.1Very high0 Ų039.7 Ų39.70%021%0.207CC..EExtended strand (participates in β ladder)trans-115.4106.1176.4-175.2-152.7000111.8V10 L11 S12 A22 F26 V81 I129 M131 C220V10-F79 PolarHBondContact O-N 2.99Å; L11-F79 VanDerWaalsContact CA-O 3.26Å; L11-F79 WeakPolarHBondContact CA-O 3.2Å; L11-F79 HydrophobicContact CB-CB 3.85Å; L11-F79 HydrophobicContact CB-CD1 4.24Å; L11-F79 HydrophobicContact CB-CG 4.43Å; L11-F79 WeakPolarHBondContact CB-O 3.49Å; L11-F79 HydrophobicContact CD1-CD1 4.15Å; S12-F79 PolarHBondContact N-O 2.93Å; A22-F79 HydrophobicContact CB-CD1 4.11Å; A22-F79 HydrophobicContact CB-CE1 3.64Å; F26-F79 AromaticContact CE2-CD1 3.84Å; F26-F79 HydrophobicContact CE2-CD1 3.84Å; F26-F79 AromaticContact CZ-CD1 3.99Å; F26-F79 HydrophobicContact CZ-CD1 3.99Å; F26-F79 HydrophobicContact CZ-CE1 4.47Å; F79-V81 HydrophobicContact CD1-CG2 3.52Å; F79-V81 HydrophobicContact CD2-CG2 3.99Å; F79-V81 HydrophobicContact CE1-CG2 3.47Å; F79-V81 VanDerWaalsContact CE1-CG2 3.47Å; F79-V81 HydrophobicContact CE2-CG2 3.95Å; F79-V81 HydrophobicContact CG-CG2 3.8Å; F79-V81 HydrophobicContact CZ-CG2 3.7Å; F79-V81 PolarHBondContact O-N 3.26Å; F79-I129 WeakPolarHBondContact CA-O 3.23Å; F79-I129 HydrophobicContact CD2-CB 3.6Å; F79-I129 HydrophobicContact CD2-CG2 3.57Å; F79-I129 WeakPolarHBondContact CD2-O 3.35Å; F79-I129 HydrophobicContact CE2-CB 4.16Å; F79-I129 HydrophobicContact CE2-CG2 3.57Å; F79-I129 HydrophobicContact CG-CB 4.32Å; F79-M131 HydrophobicContact CE2-CG 3.68Å; F79-M131 HydrophobicContact CE2-SD 3.77Å; F79-M131 HydrophobicContact CZ-CG 3.86Å; F79-M131 HydrophobicContact CZ-SD 3.65Å; F79-C220 HydrophobicContact CE1-CB 4.23Å; F79-C220 HydrophobicContact CZ-CB 4.37Å; F79-C220 WeakPolarHBondContact CZ-SG 3.4Å
80N98.9Very high98.1Very high2 Ų244.3 Ų44.31%0.01124%0.235CC..EExtended strand (participates in β ladder)trans-86.7104.5178.8-67.1-53000111M109 M112 C113 I129 N130 M131N80-M109 HydrophobicContact CB-CB 4.42Å; N80-M109 HydrophobicContact CB-CE 4.03Å; N80-M109 HydrophobicContact CB-CG 3.81Å; N80-M109 HydrophobicContact CB-SD 3.86Å; N80-M112 VanDerWaalsContact OD1-CB 3.22Å; N80-M112 WeakPolarHBondContact OD1-CB 3.41Å; N80-C113 PolarHBondContact ND2-SG 2.92Å; N80-C113 VanDerWaalsContact ND2-SG 3.41Å; N80-I129 PolarHBondContact N-O 2.85Å; N80-N130 PolarHBondContact ND2-OD1 2.87Å; N80-M131 WeakPolarHBondContact O-CB 3.46Å; N80-M131 PolarHBondContact O-N 3.36Å
81V98.9Very high98.1Very high18 Ų1843.4 Ų43.411%0.10924%0.237CC..  trans-106.4-31.7-175.3-171.90000112.9S12 A13 F79 G83 M131S12-V81 VanDerWaalsContact O-CB 3.24Å; S12-V81 WeakPolarHBondContact O-CB 3.44Å; S12-V81 WeakPolarHBondContact O-CG2 3.27Å; S12-V81 PolarHBondContact OG-N 2.95Å; A13-V81 HydrophobicContact CB-CB 4.21Å; A13-V81 HydrophobicContact CB-CG1 4.31Å; F79-V81 HydrophobicContact CD1-CG2 3.52Å; F79-V81 HydrophobicContact CD2-CG2 3.99Å; F79-V81 HydrophobicContact CE1-CG2 3.47Å; F79-V81 VanDerWaalsContact CE1-CG2 3.47Å; F79-V81 HydrophobicContact CE2-CG2 3.95Å; F79-V81 HydrophobicContact CG-CG2 3.8Å; F79-V81 HydrophobicContact CZ-CG2 3.7Å; F79-V81 PolarHBondContact O-N 3.26Å; V81-G83 PolarHBondContact O-N 3.07Å; V81-M131 HydrophobicContact CB-CG 4.19Å; V81-M131 HydrophobicContact CG1-CG 4.02Å; V81-M131 HydrophobicContact CG2-CG 4.35Å
82A98.5Very high98.1Very high11 Ų1144.3 Ų44.39%0.09124%0.244CC..  trans-49.2133.1-174.300000112.8S12 A13 V59S12-A82 PolarHBondContact OG-N 3.44Å; A13-A82 HydrophobicContact CB-CB 4.07Å; V59-A82 HydrophobicContact CG2-CB 3.67Å
83G98Very high98.2Very high42 Ų4244.5 Ų44.543%0.43325%0.247SC..  trans-175.6149.6178.900000113.1V81 N105V81-G83 PolarHBondContact O-N 3.07Å; G83-N105 WeakPolarHBondContact CA-OD1 3.33Å
84F98.4Very high98.3Very high84 Ų8443.3 Ų43.337%0.36824%0.237SC..  trans-115.4145.7174.2178.8-107.5000110.5H86 F100 V104 N105 Y146F84-H86 HydrophobicContact CD1-CB 4.25Å; F84-H86 HydrophobicContact CE1-CB 3.87Å; F84-F100 HydrophobicContact CB-CE1 3.94Å; F84-F100 AromaticContact CD1-CD1 3.99Å; F84-F100 HydrophobicContact CD1-CD1 3.99Å; F84-F100 AromaticContact CD1-CE1 3.72Å; F84-F100 HydrophobicContact CD1-CE1 3.72Å; F84-F100 HydrophobicContact CD2-CE1 4.13Å; F84-F100 HydrophobicContact CE1-CD1 4.39Å; F84-F100 HydrophobicContact CE1-CE1 4.22Å; F84-F100 HydrophobicContact CG-CD1 4.37Å; F84-F100 AromaticContact CG-CE1 3.66Å; F84-F100 HydrophobicContact CG-CE1 3.66Å; F84-V104 HydrophobicContact CB-CG1 4.47Å; F84-N105 PolarHBondContact N-OD1 3.04Å; F84-N105 PolarHBondContact O-ND2 3.24Å; F84-Y146 VanDerWaalsContact O-CD2 3.3Å; F84-Y146 WeakPolarHBondContact O-CD2 3.36Å
85V98.2Very high98.4Very high22 Ų2247.5 Ų47.513%0.13326%0.257CS..  trans-113.889.3180-1720000108.9Y146V85-Y146 HydrophobicContact CB-CD2 4.21Å; V85-Y146 HydrophobicContact CB-CE2 4.31Å; V85-Y146 HydrophobicContact CG1-CD1 4.2Å; V85-Y146 HydrophobicContact CG1-CD2 4.16Å; V85-Y146 HydrophobicContact CG1-CE1 4.4Å; V85-Y146 HydrophobicContact CG1-CE2 4.36Å; V85-Y146 HydrophobicContact CG1-CG 4.05Å; V85-Y146 HydrophobicContact CG2-CD2 4.03Å; V85-Y146 HydrophobicContact CG2-CE2 3.64Å
86H97.9Very high98.4Very high18 Ų1850.9 Ų50.98%0.08329%0.285CS..  trans-63.9138.2172.4-174.8-95.3000111F84 D97 V145F84-H86 HydrophobicContact CD1-CB 4.25Å; F84-H86 HydrophobicContact CE1-CB 3.87Å; H86-D97 IonicContact CD2-OD1 2.8Å; H86-D97 IonicContact NE2-OD1 2.69Å; H86-D97 IonicContact NE2-OD2 3.82Å; H86-V145 HydrophobicContact CB-CG1 3.53Å
87H96.7Very high98.4Very high83 Ų8352.9 Ų52.938%0.38430%0.295SS..  trans-102.5111.9174.4177.6-75.7000109.5R143H87-R143 PolarHBondContact CD2-NH1 3.01Å; H87-R143 VanDerWaalsContact CD2-NH1 3.33Å
88G96.6Very high98.4Very high1 Ų157.5 Ų57.51%0.0131%0.313CS..BIsolated β-bridgetrans164.8157.3178.200000113.5N142 R143 C144G88-N142 PolarHBondContact N-O 2.92Å; G88-N142 CarbonylContact O-C 2.96Å; G88-N142 WeakPolarHBondContact O-CA 3.3Å; G88-R143 PolarHBondContact O-N 2.88Å; G88-R143 VanDerWaalsContact O-N 3.12Å; G88-C144 PolarHBondContact O-N 2.92Å
89T98.4Very high98.4Very high52 Ų5262.4 Ų62.432%0.31934%0.339SS..  trans-75-174.6164.273.30000110L91 D92 C144T89-L91 PolarHBondContact O-N 3.16Å; T89-L91 PolarHBondContact OG1-N 2.92Å; T89-D92 WeakPolarHBondContact CA-OD2 3.4Å; T89-D92 VanDerWaalsContact CB-OD2 3.3Å; T89-D92 WeakPolarHBondContact CB-OD2 3.47Å; T89-D92 WeakPolarHBondContact CG2-OD2 3.05Å; T89-D92 PolarHBondContact N-OD2 2.88Å; T89-D92 PolarHBondContact O-N 2.78Å; T89-D92 PolarHBondContact OG1-OD2 3.21Å; T89-C144 VanDerWaalsContact C-CB 3.49Å
90V98.6Very high98.4Very high102 Ų10267.3 Ų67.362%0.61836%0.361SS*.SBendtrans-66.1-27.4173.167.80000112.1D92 C144V90-D92 VanDerWaalsContact C-N 3.33Å; V90-C144 HydrophobicContact CB-CB 4.49Å
91L98.5Very high98.3Very high149 Ų14967.2 Ų67.278%0.7836%0.36SS*.THydrogen-bonded Turntrans-79.3-19.3-179.8-57.3-180000112.7T89T89-L91 PolarHBondContact O-N 3.16Å; T89-L91 PolarHBondContact OG1-N 2.92Å
92D98Very high98.3Very high89 Ų8968.7 Ų68.748%0.47637%0.366SS..THydrogen-bonded Turntrans-96.82.8178.4-47-66.5000112T89 V90T89-D92 WeakPolarHBondContact CA-OD2 3.4Å; T89-D92 VanDerWaalsContact CB-OD2 3.3Å; T89-D92 WeakPolarHBondContact CB-OD2 3.47Å; T89-D92 WeakPolarHBondContact CG2-OD2 3.05Å; T89-D92 PolarHBondContact N-OD2 2.88Å; T89-D92 PolarHBondContact O-N 2.78Å; T89-D92 PolarHBondContact OG1-OD2 3.21Å; V90-D92 VanDerWaalsContact C-N 3.33Å
93C98.5Very high98.4Very high20 Ų2070.5 Ų70.514%0.13537%0.374CS..  trans-107.196.4-174.1-171.50000109.5
94E98.6Very high98.4Very high126 Ų12669.5 Ų69.559%0.58936%0.36SS*.  trans-71.8164.9175.1-59.8-59.6139.300110.9A96 D97 W98E94-A96 PolarHBondContact O-N 3.07Å; E94-D97 PolarHBondContact N-OD2 3Å; E94-D97 PolarHBondContact O-N 3.15Å; E94-D97 VanDerWaalsContact O-N 3.08Å; E94-W98 PolarHBondContact O-N 3.19Å
95E98.7Very high98.4Very high164 Ų16465.5 Ų65.577%0.76634%0.342SS*.Hα-helixtrans-54.6-40.2-179.7-67-179.4-131.300112.2D97 W98 D99E95-D97 PolarHBondContact O-N 3.1Å; E95-W98 WeakPolarHBondContact O-CB 3.33Å; E95-W98 PolarHBondContact O-N 2.85Å; E95-D99 WeakPolarHBondContact O-CB 3.38Å; E95-D99 PolarHBondContact O-N 3.34Å
96A98.6Very high98.5Very high73 Ų7365.8 Ų65.860%0.60334%0.344SS*.Hα-helixtrans-65-39.4178.700000112.8E94 W98 F100E94-A96 PolarHBondContact O-N 3.07Å; A96-W98 VanDerWaalsContact C-N 3.35Å; A96-F100 WeakPolarHBondContact O-CB 3.32Å; A96-F100 PolarHBondContact O-N 3Å
97D98.6Very high98.5Very high54 Ų5470 Ų7029%0.28936%0.359SS..Hα-helixtrans-69-38.4177.2-61.8-55.6000111.3H86 E94 E95 T101H86-D97 IonicContact CD2-OD1 2.8Å; H86-D97 IonicContact NE2-OD1 2.69Å; H86-D97 IonicContact NE2-OD2 3.82Å; E94-D97 PolarHBondContact N-OD2 3Å; E94-D97 PolarHBondContact O-N 3.15Å; E94-D97 VanDerWaalsContact O-N 3.08Å; E95-D97 PolarHBondContact O-N 3.1Å; D97-T101 VanDerWaalsContact O-CB 3.29Å; D97-T101 WeakPolarHBondContact O-CB 3.3Å; D97-T101 PolarHBondContact O-N 3.33Å; D97-T101 PolarHBondContact O-OG1 3.29Å
98W98.9Very high98.6Very high98 Ų9866.2 Ų66.237%0.37134%0.342SS..Hα-helixtrans-60.8-56.7175.3-178.3-90.6000111.2E94 E95 A96 F100 T101 M102 V145 T148E94-W98 PolarHBondContact O-N 3.19Å; E95-W98 WeakPolarHBondContact O-CB 3.33Å; E95-W98 PolarHBondContact O-N 2.85Å; A96-W98 VanDerWaalsContact C-N 3.35Å; W98-F100 PolarHBondContact O-N 2.98Å; W98-T101 PolarHBondContact O-N 3.47Å; W98-M102 HydrophobicContact CD2-CG 4.47Å; W98-M102 WeakPolarHBondContact O-CB 3.45Å; W98-M102 WeakPolarHBondContact O-CG 3.45Å; W98-M102 PolarHBondContact O-N 3.27Å; W98-V145 HydrophobicContact CD2-CG2 3.95Å; W98-V145 HydrophobicContact CE3-CB 3.75Å; W98-V145 HydrophobicContact CE3-CG2 3.57Å; W98-V145 HydrophobicContact CG-CG2 4.46Å; W98-V145 HydrophobicContact CZ3-CB 4.11Å; W98-V145 HydrophobicContact CZ3-CG2 4.04Å; W98-T148 HydrophobicContact CH2-CG2 3.75Å; W98-T148 HydrophobicContact CZ2-CG2 4.33Å
99D98.9Very high98.7Very high103 Ų10366.1 Ų66.155%0.55134%0.341SS*.Hα-helixtrans-63-42.7-177.3-77.4-11.6000111.8E95 M102 N103E95-D99 WeakPolarHBondContact O-CB 3.38Å; E95-D99 PolarHBondContact O-N 3.34Å; D99-M102 PolarHBondContact O-N 3.4Å; D99-N103 WeakPolarHBondContact O-CB 3.39Å; D99-N103 PolarHBondContact O-N 2.92Å
100F98.8Very high98.7Very high103 Ų10368.8 Ų68.845%0.45235%0.346SS..Hα-helixtrans-59.6-51.5176175.7-100.7000111.3F84 A96 W98 M102 N103 V104F84-F100 HydrophobicContact CB-CE1 3.94Å; F84-F100 AromaticContact CD1-CD1 3.99Å; F84-F100 HydrophobicContact CD1-CD1 3.99Å; F84-F100 AromaticContact CD1-CE1 3.72Å; F84-F100 HydrophobicContact CD1-CE1 3.72Å; F84-F100 HydrophobicContact CD2-CE1 4.13Å; F84-F100 HydrophobicContact CE1-CD1 4.39Å; F84-F100 HydrophobicContact CE1-CE1 4.22Å; F84-F100 HydrophobicContact CG-CD1 4.37Å; F84-F100 AromaticContact CG-CE1 3.66Å; F84-F100 HydrophobicContact CG-CE1 3.66Å; A96-F100 WeakPolarHBondContact O-CB 3.32Å; A96-F100 PolarHBondContact O-N 3Å; W98-F100 PolarHBondContact O-N 2.98Å; F100-M102 PolarHBondContact O-N 3.05Å; F100-N103 PolarHBondContact O-N 3.44Å; F100-V104 HydrophobicContact CD2-CG2 4.24Å; F100-V104 HydrophobicContact CE1-CG2 4.3Å; F100-V104 HydrophobicContact CE2-CG2 3.85Å; F100-V104 HydrophobicContact CZ-CG2 3.88Å; F100-V104 WeakPolarHBondContact O-CG2 3.47Å; F100-V104 PolarHBondContact O-N 3.37Å
101T98.8Very high98.8Very high0 Ų064.2 Ų64.20%032%0.318CS..Hα-helixtrans-64.6-42.1-177.8-57.40000111D97 W98 V104 N105 V145D97-T101 VanDerWaalsContact O-CB 3.29Å; D97-T101 WeakPolarHBondContact O-CB 3.3Å; D97-T101 PolarHBondContact O-N 3.33Å; D97-T101 PolarHBondContact O-OG1 3.29Å; W98-T101 PolarHBondContact O-N 3.47Å; T101-V104 PolarHBondContact O-N 3.05Å; T101-N105 WeakPolarHBondContact CG2-ND2 3.35Å; T101-N105 WeakPolarHBondContact O-CB 3.46Å; T101-N105 VanDerWaalsContact O-CG 3.27Å; T101-N105 PolarHBondContact O-N 3.38Å; T101-V145 HydrophobicContact CG2-CB 4.41Å; T101-V145 HydrophobicContact CG2-CG1 3.96Å; T101-V145 HydrophobicContact CG2-CG2 3.78Å
102M98.9Very high98.8Very high48 Ų4857.1 Ų57.124%0.23628%0.281CS..Hα-helixtrans-66.8-38.1177.7-72.7-59.9-66.500112.3W98 D99 F100 V106 R107 V145W98-M102 HydrophobicContact CD2-CG 4.47Å; W98-M102 WeakPolarHBondContact O-CB 3.45Å; W98-M102 WeakPolarHBondContact O-CG 3.45Å; W98-M102 PolarHBondContact O-N 3.27Å; D99-M102 PolarHBondContact O-N 3.4Å; F100-M102 PolarHBondContact O-N 3.05Å; M102-V106 HydrophobicContact CE-CB 4.18Å; M102-V106 HydrophobicContact CE-CG1 4.5Å; M102-V106 HydrophobicContact CE-CG2 3.77Å; M102-V106 WeakPolarHBondContact O-CB 3.16Å; M102-V106 PolarHBondContact O-N 3.24Å; M102-V106 HydrophobicContact SD-CG2 3.94Å; M102-R107 PolarHBondContact O-N 2.69Å; M102-V145 HydrophobicContact CG-CG2 4.29Å
103N98.9Very high98.8Very high49 Ų4953.1 Ų53.126%0.26226%0.26SS..Iπ-helixtrans-65-45.5176.4-173.837.2000111.6D99 F100 R107 S108D99-N103 WeakPolarHBondContact O-CB 3.39Å; D99-N103 PolarHBondContact O-N 2.92Å; F100-N103 PolarHBondContact O-N 3.44Å; N103-R107 WeakPolarHBondContact O-CB 3.46Å; N103-R107 WeakPolarHBondContact OD1-CD 3.36Å; N103-R107 PolarHBondContact OD1-NH1 2.8Å; N103-S108 PolarHBondContact O-N 3.12Å
104V98.9Very high98.8Very high22 Ų2258.3 Ų58.313%0.13328%0.281CS..Iπ-helixtrans-74.5-41.5-179.3175.50000112.5T60 F84 F100 T101 S108T60-V104 HydrophobicContact CG2-CG2 3.92Å; F84-V104 HydrophobicContact CB-CG1 4.47Å; F100-V104 HydrophobicContact CD2-CG2 4.24Å; F100-V104 HydrophobicContact CE1-CG2 4.3Å; F100-V104 HydrophobicContact CE2-CG2 3.85Å; F100-V104 HydrophobicContact CZ-CG2 3.88Å; F100-V104 WeakPolarHBondContact O-CG2 3.47Å; F100-V104 PolarHBondContact O-N 3.37Å; T101-V104 PolarHBondContact O-N 3.05Å; V104-S108 WeakPolarHBondContact O-CB 3.33Å; V104-S108 PolarHBondContact O-OG 2.86Å
105N98.9Very high98.9Very high0 Ų053.8 Ų53.80%026%0.261CS..Iπ-helixtrans-90.1-26.8-169.9-66.19.6000113.6G83 F84 T101 S149G83-N105 WeakPolarHBondContact CA-OD1 3.33Å; F84-N105 PolarHBondContact N-OD1 3.04Å; F84-N105 PolarHBondContact O-ND2 3.24Å; T101-N105 WeakPolarHBondContact CG2-ND2 3.35Å; T101-N105 WeakPolarHBondContact O-CB 3.46Å; T101-N105 VanDerWaalsContact O-CG 3.27Å; T101-N105 PolarHBondContact O-N 3.38Å; N105-S149 WeakPolarHBondContact CB-OG 3.45Å; N105-S149 PolarHBondContact ND2-OG 3Å
106V98.9Very high98.9Very high27 Ų2746 Ų4616%0.16423%0.225CC..Iπ-helixtrans-121.3-55.8-171.9-1710000111.1M102 S108 M109 Y110 A152M102-V106 HydrophobicContact CE-CB 4.18Å; M102-V106 HydrophobicContact CE-CG1 4.5Å; M102-V106 HydrophobicContact CE-CG2 3.77Å; M102-V106 WeakPolarHBondContact O-CB 3.16Å; M102-V106 PolarHBondContact O-N 3.24Å; M102-V106 HydrophobicContact SD-CG2 3.94Å; V106-S108 VanDerWaalsContact C-N 3.27Å; V106-S108 PolarHBondContact O-N 2.92Å; V106-M109 PolarHBondContact O-N 3.42Å; V106-M109 VanDerWaalsContact O-N 3.11Å; V106-Y110 PolarHBondContact O-N 3.23Å; V106-A152 HydrophobicContact CG1-CB 4.04Å; V106-A152 HydrophobicContact CG2-CB 3.95Å
107R98.9Very high98.9Very high107 Ų10743.2 Ų43.240%0.40420%0.2SC..Iπ-helixtrans-62.3-36.9-176.5-172.4173.1169.9-78.4-4.5111.8T60 M102 N103 M109 Y110 L111T60-R107 PolarHBondContact O-NH1 3.33Å; M102-R107 PolarHBondContact O-N 2.69Å; N103-R107 WeakPolarHBondContact O-CB 3.46Å; N103-R107 WeakPolarHBondContact OD1-CD 3.36Å; N103-R107 PolarHBondContact OD1-NH1 2.8Å; R107-M109 VanDerWaalsContact C-N 3.35Å; R107-M109 PolarHBondContact O-N 3.03Å; R107-Y110 HydrophobicContact CG-CD1 4.38Å; R107-Y110 WeakPolarHBondContact O-CB 3.37Å; R107-Y110 PolarHBondContact O-N 3.4Å; R107-L111 WeakPolarHBondContact O-CG 3.47Å; R107-L111 PolarHBondContact O-N 3.03Å
108S98.9Very high98.9Very high3 Ų344 Ų442%0.02121%0.208CC..Hα-helixtrans-56.2-45.8173.669.10000112.6V59 N103 V104 V106 L111 M112V59-S108 WeakPolarHBondContact O-CA 3.36Å; N103-S108 PolarHBondContact O-N 3.12Å; V104-S108 WeakPolarHBondContact O-CB 3.33Å; V104-S108 PolarHBondContact O-OG 2.86Å; V106-S108 VanDerWaalsContact C-N 3.27Å; V106-S108 PolarHBondContact O-N 2.92Å; S108-L111 PolarHBondContact O-N 3.19Å; S108-M112 VanDerWaalsContact O-CG 3.3Å; S108-M112 WeakPolarHBondContact O-CG 3.24Å; S108-M112 PolarHBondContact O-N 2.99Å
109M98.9Very high98.9Very high0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-67.4-41179.2-56.6-160.4178.200111N80 V106 R107 L111 M112 C113 N130 V153 L156N80-M109 HydrophobicContact CB-CB 4.42Å; N80-M109 HydrophobicContact CB-CE 4.03Å; N80-M109 HydrophobicContact CB-CG 3.81Å; N80-M109 HydrophobicContact CB-SD 3.86Å; V106-M109 PolarHBondContact O-N 3.42Å; V106-M109 VanDerWaalsContact O-N 3.11Å; R107-M109 VanDerWaalsContact C-N 3.35Å; R107-M109 PolarHBondContact O-N 3.03Å; M109-L111 VanDerWaalsContact C-N 3.33Å; M109-L111 PolarHBondContact O-N 2.74Å; M109-M112 PolarHBondContact O-N 2.84Å; M109-C113 VanDerWaalsContact O-CB 3.24Å; M109-C113 WeakPolarHBondContact O-CB 3.39Å; M109-C113 PolarHBondContact O-N 3.06Å; M109-C113 PolarHBondContact O-SG 3.25Å; M109-N130 HydrophobicContact SD-CB 3.91Å; M109-V153 HydrophobicContact CE-CG1 4.42Å; M109-V153 HydrophobicContact CE-CG2 4.03Å; M109-V153 HydrophobicContact SD-CB 4.46Å; M109-V153 HydrophobicContact SD-CG1 3.89Å; M109-V153 HydrophobicContact SD-CG2 3.72Å; M109-L156 HydrophobicContact CB-CD2 3.82Å
110Y98.9Very high98.9Very high107 Ų10736.8 Ų36.842%0.4217%0.174SC..Hα-helixtrans-55.6-48171.2155.1-104.7000111.6V106 R107 K114V106-Y110 PolarHBondContact O-N 3.23Å; R107-Y110 HydrophobicContact CG-CD1 4.38Å; R107-Y110 WeakPolarHBondContact O-CB 3.37Å; R107-Y110 PolarHBondContact O-N 3.4Å; Y110-K114 HydrophobicContact CE2-CB 4.27Å; Y110-K114 HydrophobicContact CE2-CD 3.83Å; Y110-K114 WeakPolarHBondContact O-CB 3.43Å; Y110-K114 PolarHBondContact O-N 3.3Å; Y110-K114 WeakPolarHBondContact OH-CD 3.39Å
111L98.9Very high98.9Very high6 Ų634.3 Ų34.33%0.03117%0.166CC..Hα-helixtrans-63-49.4179.6-71.6177.5000111.6K62 R107 S108 M109 K114 T115K62-L111 HydrophobicContact CB-CD1 4.36Å; K62-L111 HydrophobicContact CB-CD2 4.27Å; K62-L111 HydrophobicContact CG-CD2 4.25Å; R107-L111 WeakPolarHBondContact O-CG 3.47Å; R107-L111 PolarHBondContact O-N 3.03Å; S108-L111 PolarHBondContact O-N 3.19Å; M109-L111 VanDerWaalsContact C-N 3.33Å; M109-L111 PolarHBondContact O-N 2.74Å; L111-K114 PolarHBondContact O-N 3.46Å; L111-T115 WeakPolarHBondContact O-CB 3.26Å; L111-T115 PolarHBondContact O-N 3.13Å; L111-T115 PolarHBondContact O-OG1 3.08Å
112M98.9Very high98.8Very high1 Ų142.1 Ų42.11%0.00520%0.202CC..Hα-helixtrans-59.5-51.1178.5-68.6-68.7-65.800111V10 V59 V65 L68 L78 N80 S108 M109 T115 F116V10-M112 HydrophobicContact CG1-CE 4.39Å; V59-M112 HydrophobicContact CB-CG 4.49Å; V59-M112 HydrophobicContact CG1-CG 4.32Å; V59-M112 HydrophobicContact CG1-SD 4Å; V65-M112 HydrophobicContact CB-SD 4.23Å; V65-M112 HydrophobicContact CG1-CG 4.42Å; V65-M112 HydrophobicContact CG1-SD 3.57Å; V65-M112 VanDerWaalsContact CG1-SD 3.57Å; V65-M112 HydrophobicContact CG2-SD 3.7Å; L68-M112 HydrophobicContact CD2-CE 4.32Å; L78-M112 HydrophobicContact CD1-CB 4.5Å; L78-M112 HydrophobicContact CD1-CE 3.62Å; L78-M112 HydrophobicContact CD2-CB 4.13Å; N80-M112 VanDerWaalsContact OD1-CB 3.22Å; N80-M112 WeakPolarHBondContact OD1-CB 3.41Å; S108-M112 VanDerWaalsContact O-CG 3.3Å; S108-M112 WeakPolarHBondContact O-CG 3.24Å; S108-M112 PolarHBondContact O-N 2.99Å; M109-M112 PolarHBondContact O-N 2.84Å; M112-T115 PolarHBondContact O-N 2.74Å; M112-F116 HydrophobicContact CE-CD2 4.12Å; M112-F116 HydrophobicContact CE-CE2 3.72Å; M112-F116 WeakPolarHBondContact O-CB 3.41Å; M112-F116 WeakPolarHBondContact O-CD2 3.41Å; M112-F116 PolarHBondContact O-N 3.1Å; M112-F116 HydrophobicContact SD-CE2 4.27Å
113C98.9Very high98.7Very high5 Ų544.9 Ų44.93%0.03421%0.213CC..Hα-helixtrans-60.7-49178.9-68.50000111.5N80 M109 T115 F116 L117 I160N80-C113 PolarHBondContact ND2-SG 2.92Å; N80-C113 VanDerWaalsContact ND2-SG 3.41Å; M109-C113 VanDerWaalsContact O-CB 3.24Å; M109-C113 WeakPolarHBondContact O-CB 3.39Å; M109-C113 PolarHBondContact O-N 3.06Å; M109-C113 PolarHBondContact O-SG 3.25Å; C113-T115 PolarHBondContact O-N 2.88Å; C113-F116 PolarHBondContact O-N 2.87Å; C113-L117 WeakPolarHBondContact O-CB 3.48Å; C113-L117 PolarHBondContact O-N 3.12Å; C113-I160 HydrophobicContact CB-CD1 3.88Å
114K98.9Very high98.7Very high129 Ų12950.3 Ų50.356%0.56123%0.234SC*.Hα-helixtrans-57.9-37179.5-174.5-175.6-175.684.50112.3Y110 L111 P118Y110-K114 HydrophobicContact CE2-CB 4.27Å; Y110-K114 HydrophobicContact CE2-CD 3.83Å; Y110-K114 WeakPolarHBondContact O-CB 3.43Å; Y110-K114 PolarHBondContact O-N 3.3Å; Y110-K114 WeakPolarHBondContact OH-CD 3.39Å; L111-K114 PolarHBondContact O-N 3.46Å; K114-P118 VanDerWaalsContact O-CD 3.29Å; K114-P118 WeakPolarHBondContact O-CD 3.22Å
115T98.9Very high98.7Very high30 Ų3051.5 Ų51.518%0.18424%0.244CC..Hα-helixtrans-80.2-39.6-176.9-59.10000112.6V65 E66 A69 L111 M112 C113V65-T115 HydrophobicContact CG1-CG2 4.12Å; E66-T115 HydrophobicContact CG-CG2 4.28Å; A69-T115 HydrophobicContact CB-CG2 3.37Å; L111-T115 WeakPolarHBondContact O-CB 3.26Å; L111-T115 PolarHBondContact O-N 3.13Å; L111-T115 PolarHBondContact O-OG1 3.08Å; M112-T115 PolarHBondContact O-N 2.74Å; C113-T115 PolarHBondContact O-N 2.88Å
116F98.9Very high98.7Very high0 Ų051.8 Ų51.80%025%0.246CC..Hα-helixtrans-91.4-28.4-175.4-80.2-83.8000114.3V10 L68 A69 V75 L78 M112 C113 P118 K119V10-F116 HydrophobicContact CG1-CE1 4.48Å; V10-F116 HydrophobicContact CG1-CZ 4.09Å; V10-F116 HydrophobicContact CG2-CE1 4.1Å; V10-F116 HydrophobicContact CG2-CZ 4.48Å; L68-F116 HydrophobicContact CD2-CE2 4.09Å; L68-F116 HydrophobicContact CD2-CZ 3.81Å; L68-F116 HydrophobicContact CG-CZ 3.93Å; A69-F116 HydrophobicContact CB-CD1 4.3Å; A69-F116 HydrophobicContact CB-CD2 4.45Å; A69-F116 HydrophobicContact CB-CE1 3.91Å; A69-F116 HydrophobicContact CB-CE2 4.06Å; A69-F116 HydrophobicContact CB-CZ 3.77Å; V75-F116 HydrophobicContact CB-CD1 4.34Å; V75-F116 HydrophobicContact CG2-CD1 3.72Å; V75-F116 HydrophobicContact CG2-CE1 3.81Å; L78-F116 HydrophobicContact CD1-CD2 4.28Å; L78-F116 HydrophobicContact CD2-CB 4.16Å; M112-F116 HydrophobicContact CE-CD2 4.12Å; M112-F116 HydrophobicContact CE-CE2 3.72Å; M112-F116 WeakPolarHBondContact O-CB 3.41Å; M112-F116 WeakPolarHBondContact O-CD2 3.41Å; M112-F116 PolarHBondContact O-N 3.1Å; M112-F116 HydrophobicContact SD-CE2 4.27Å; C113-F116 PolarHBondContact O-N 2.87Å; F116-P118 VanDerWaalsContact C-CD 3.44Å; F116-K119 WeakPolarHBondContact O-CB 3.48Å; F116-K119 PolarHBondContact O-N 3.3Å; F116-K119 VanDerWaalsContact O-N 3.1Å
117L98.8Very high98.7Very high15 Ų1550.8 Ų50.88%0.07924%0.24CC..Hα-helixtrans-55.7-39.9-178.4-179.364.3000113.8C113 K119 M120 L121 I128 F164 I169C113-L117 WeakPolarHBondContact O-CB 3.48Å; C113-L117 PolarHBondContact O-N 3.12Å; L117-K119 PolarHBondContact O-N 2.78Å; L117-K119 VanDerWaalsContact O-N 3.15Å; L117-M120 WeakPolarHBondContact O-CB 3.41Å; L117-M120 PolarHBondContact O-N 2.98Å; L117-L121 HydrophobicContact CD1-CD2 4.42Å; L117-L121 HydrophobicContact CD1-CG 4.19Å; L117-L121 HydrophobicContact CD2-CD1 4.49Å; L117-L121 HydrophobicContact CG-CD1 4Å; L117-L121 HydrophobicContact CG-CG 4.11Å; L117-L121 WeakPolarHBondContact O-CG 3.19Å; L117-L121 PolarHBondContact O-N 2.83Å; L117-I128 HydrophobicContact CD1-CD1 4.2Å; L117-F164 HydrophobicContact CD2-CD1 4.19Å; L117-F164 HydrophobicContact CD2-CD2 3.74Å; L117-F164 HydrophobicContact CD2-CE1 3.91Å; L117-F164 HydrophobicContact CD2-CE2 3.43Å; L117-F164 VanDerWaalsContact CD2-CE2 3.43Å; L117-F164 HydrophobicContact CD2-CG 4.15Å; L117-F164 HydrophobicContact CD2-CZ 3.53Å; L117-I169 HydrophobicContact CD1-CD1 4.22Å; L117-I169 HydrophobicContact CD1-CG1 4.06Å; L117-I169 HydrophobicContact CD1-CG2 3.98Å
118P98.8Very high98.7Very high72 Ų7245.7 Ų45.747%0.46822%0.221SC..Hα-helixtrans-54.3-35.4176.7-28.736.9000114.1K114 F116 L121 E122K114-P118 VanDerWaalsContact O-CD 3.29Å; K114-P118 WeakPolarHBondContact O-CD 3.22Å; F116-P118 VanDerWaalsContact C-CD 3.44Å; P118-L121 PolarHBondContact O-N 2.88Å; P118-E122 PolarHBondContact O-N 3.28Å
119K98.6Very high98.7Very high47 Ų4745.5 Ų45.520%0.20422%0.22CC..Hα-helixtrans-69.3-35.3177.9-62.3178.1175.7-73.60112.3A69 H72 F116 L117A69-K119 WeakPolarHBondContact O-CE 3.41Å; A69-K119 PolarHBondContact O-NZ 3.29Å; H72-K119 WeakPolarHBondContact O-CE 3.3Å; H72-K119 PolarHBondContact O-NZ 3.46Å; F116-K119 WeakPolarHBondContact O-CB 3.48Å; F116-K119 PolarHBondContact O-N 3.3Å; F116-K119 VanDerWaalsContact O-N 3.1Å; L117-K119 PolarHBondContact O-N 2.78Å; L117-K119 VanDerWaalsContact O-N 3.15Å
120M98.8Very high98.7Very high1 Ų145.5 Ų45.51%0.00522%0.22CC..Hα-helixtrans-70.1-40.3174.6-65.117617300111.2V75 L78 L117 K123 K124 S125 I128 I169V75-M120 HydrophobicContact CG1-CE 4.08Å; L78-M120 HydrophobicContact CB-CE 3.78Å; L117-M120 WeakPolarHBondContact O-CB 3.41Å; L117-M120 PolarHBondContact O-N 2.98Å; M120-K123 CarbonylContact O-C 3.6Å; M120-K123 PolarHBondContact O-N 3.24Å; M120-K124 PolarHBondContact O-N 3.05Å; M120-S125 WeakPolarHBondContact CA-O 3.37Å; M120-S125 PolarHBondContact O-N 3.06Å; M120-I128 HydrophobicContact CE-CG1 4.14Å; M120-I128 HydrophobicContact SD-CD1 4.21Å; M120-I128 HydrophobicContact SD-CG1 3.92Å; M120-I169 HydrophobicContact CB-CD1 3.6Å
121L98.8Very high98.7Very high52 Ų5241 Ų4127%0.27220%0.202SC..Hα-helixtrans-65.6-39.2178.2-66.4175000112.3L117 P118 K123 K124 F164 Q167 I169L117-L121 HydrophobicContact CD1-CD2 4.42Å; L117-L121 HydrophobicContact CD1-CG 4.19Å; L117-L121 HydrophobicContact CD2-CD1 4.49Å; L117-L121 HydrophobicContact CG-CD1 4Å; L117-L121 HydrophobicContact CG-CG 4.11Å; L117-L121 WeakPolarHBondContact O-CG 3.19Å; L117-L121 PolarHBondContact O-N 2.83Å; P118-L121 PolarHBondContact O-N 2.88Å; L121-K123 PolarHBondContact O-N 3.17Å; L121-K124 PolarHBondContact O-N 3.44Å; L121-F164 HydrophobicContact CD1-CD1 4Å; L121-F164 HydrophobicContact CD1-CE1 3.98Å; L121-F164 HydrophobicContact CD2-CB 4.34Å; L121-F164 HydrophobicContact CD2-CD1 3.72Å; L121-F164 HydrophobicContact CD2-CG 4.34Å; L121-F164 HydrophobicContact CG-CD1 4.45Å; L121-Q167 HydrophobicContact CD2-CB 3.79Å; L121-Q167 HydrophobicContact CD2-CG 4.44Å; L121-I169 HydrophobicContact CD2-CD1 4.06Å; L121-I169 HydrophobicContact CD2-CG1 3.68Å
122E98.2Very high98.7Very high164 Ų16440.8 Ų40.877%0.76620%0.202SC*.Hα-helixtrans-58.1-38174.5-174.7174.8-177.100111.9P118 K124P118-E122 PolarHBondContact O-N 3.28Å; E122-K124 VanDerWaalsContact C-N 3.34Å
123K97.1Very high98.7Very high105 Ų10541 Ų4146%0.45720%0.203SC..THydrogen-bonded Turntrans-83.6-7.3176.5-161.3179.3168.8-1770113.5D76 M120 L121 S125D76-K123 IonicContact OD1-NZ 3.3Å; D76-K123 PolarHBondContact OD1-NZ 3.17Å; M120-K123 CarbonylContact O-C 3.6Å; M120-K123 PolarHBondContact O-N 3.24Å; L121-K123 PolarHBondContact O-N 3.17Å; K123-S125 PolarHBondContact O-N 3.05Å
124K98.5Very high98.6Very high163 Ų16340.8 Ų40.871%0.70920%0.202SC*.THydrogen-bonded Turntrans5135.6-170-57.6-176.9178-1780113M120 L121 E122 Q167M120-K124 PolarHBondContact O-N 3.05Å; L121-K124 PolarHBondContact O-N 3.44Å; E122-K124 VanDerWaalsContact C-N 3.34Å; K124-Q167 CarbonylContact C-O 3.51Å; K124-Q167 VanDerWaalsContact CA-O 3.3Å; K124-Q167 WeakPolarHBondContact CA-O 2.99Å
125S98.8Very high98.4Very high48 Ų4834.9 Ų34.934%0.33618%0.177SC..  trans-161126.6-176.4173.50000109.5M120 K123 G168M120-S125 WeakPolarHBondContact CA-O 3.37Å; M120-S125 PolarHBondContact O-N 3.06Å; K123-S125 PolarHBondContact O-N 3.05Å; S125-G168 WeakPolarHBondContact CA-O 3.46Å
126G98.8Very high98Very high5 Ų534.6 Ų34.65%0.05218%0.177CC..EExtended strand (participates in β ladder)trans-171.9159.5172.900000113.3G168 I169 R170G126-G168 PolarHBondContact N-O 2.87Å; G126-I169 WeakPolarHBondContact O-CA 3.32Å; G126-R170 PolarHBondContact O-N 2.67Å
127N98.9Very high97.7Very high6 Ų637.8 Ų37.83%0.03219%0.193CC..EExtended strand (participates in β ladder)trans-137.6127.3-179.6-177.921.4000110.3D76 V77 L78 R170 L223 A224D76-N127 PolarHBondContact O-N 3.34Å; V77-N127 CarbonylContact C-O 3.35Å; V77-N127 VanDerWaalsContact CA-O 3.26Å; V77-N127 WeakPolarHBondContact CA-O 3.31Å; V77-N127 HydrophobicContact CG2-CB 4.27Å; L78-N127 PolarHBondContact N-O 2.92Å; N127-R170 CarbonylContact C-O 3.57Å; N127-R170 WeakPolarHBondContact CA-O 3.47Å; N127-R170 PolarHBondContact ND2-NH2 3.06Å; N127-R170 VanDerWaalsContact ND2-NH2 3.12Å; N127-L223 PolarHBondContact ND2-O 3.4Å; N127-A224 WeakPolarHBondContact ND2-CA 3.49Å
128I99Very high97.5Very high0 Ų039.3 Ų39.30%020%0.203CC..EExtended strand (participates in β ladder)trans-116.9127.8177.9-61.1172.1000108.3L78 L117 M120 I160 R170 C171 N172L78-I128 HydrophobicContact CB-CG1 4.32Å; L78-I128 WeakPolarHBondContact O-CA 3.4Å; L117-I128 HydrophobicContact CD1-CD1 4.2Å; M120-I128 HydrophobicContact CE-CG1 4.14Å; M120-I128 HydrophobicContact SD-CD1 4.21Å; M120-I128 HydrophobicContact SD-CG1 3.92Å; I128-I160 HydrophobicContact CD1-CG2 4Å; I128-R170 PolarHBondContact N-O 3.2Å; I128-C171 HydrophobicContact CB-CB 4.32Å; I128-C171 CarbonylContact O-C 3.26Å; I128-C171 VanDerWaalsContact O-CA 3.3Å; I128-C171 WeakPolarHBondContact O-CA 3.3Å; I128-N172 PolarHBondContact O-N 2.87Å
129I99Very high97.3Very high0 Ų040 Ų400%022%0.222CC..EExtended strand (participates in β ladder)trans-116.5128.9174.9-52.5170.8000107.2V77 L78 F79 N80 N172 V174 L223 A224V77-I129 HydrophobicContact CG1-CD1 3.99Å; V77-I129 HydrophobicContact CG1-CG1 4.37Å; L78-I129 PolarHBondContact O-N 3.23Å; F79-I129 WeakPolarHBondContact CA-O 3.23Å; F79-I129 HydrophobicContact CD2-CB 3.6Å; F79-I129 HydrophobicContact CD2-CG2 3.57Å; F79-I129 WeakPolarHBondContact CD2-O 3.35Å; F79-I129 HydrophobicContact CE2-CB 4.16Å; F79-I129 HydrophobicContact CE2-CG2 3.57Å; F79-I129 HydrophobicContact CG-CB 4.32Å; N80-I129 PolarHBondContact N-O 2.85Å; I129-N172 CarbonylContact C-O 3.2Å; I129-N172 WeakPolarHBondContact CA-O 3.35Å; I129-V174 HydrophobicContact CG2-CG2 3.98Å; I129-L223 HydrophobicContact CD1-CB 3.81Å; I129-L223 HydrophobicContact CG1-CB 4.35Å; I129-L223 HydrophobicContact CG2-CD1 4.43Å; I129-A224 HydrophobicContact CD1-CB 4.1Å
130N98.9Very high97.2Very high0 Ų038.8 Ų38.80%022%0.219CC..EExtended strand (participates in β ladder)trans-116.7138.5177.9-61-44.2000111.3N80 M109 A132 V153 T157 N172 C173 V174N80-N130 PolarHBondContact ND2-OD1 2.87Å; M109-N130 HydrophobicContact SD-CB 3.91Å; N130-A132 PolarHBondContact O-N 2.86Å; N130-V153 HydrophobicContact CB-CG1 3.62Å; N130-T157 PolarHBondContact ND2-OG1 3.24Å; N130-N172 PolarHBondContact N-O 2.94Å; N130-C173 HydrophobicContact CB-CB 4.14Å; N130-C173 CarbonylContact O-C 3.58Å; N130-C173 WeakPolarHBondContact O-CA 3.29Å; N130-C173 VanDerWaalsContact O-CB 3.29Å; N130-C173 WeakPolarHBondContact O-CB 3.41Å; N130-V174 PolarHBondContact O-N 3.12Å
131M98.9Very high97.1Very high11 Ų1143.9 Ų43.95%0.05425%0.25CS..EExtended strand (participates in β ladder)trans-81.5106.1171.8-76.7-56.7-5600111.7I18 F79 N80 V81 K150 V174 P176I18-M131 HydrophobicContact CD1-CE 3.85Å; I18-M131 HydrophobicContact CG2-CE 4.44Å; I18-M131 HydrophobicContact CG2-SD 4.27Å; F79-M131 HydrophobicContact CE2-CG 3.68Å; F79-M131 HydrophobicContact CE2-SD 3.77Å; F79-M131 HydrophobicContact CZ-CG 3.86Å; F79-M131 HydrophobicContact CZ-SD 3.65Å; N80-M131 WeakPolarHBondContact O-CB 3.46Å; N80-M131 PolarHBondContact O-N 3.36Å; V81-M131 HydrophobicContact CB-CG 4.19Å; V81-M131 HydrophobicContact CG1-CG 4.02Å; V81-M131 HydrophobicContact CG2-CG 4.35Å; M131-K150 PolarHBondContact O-NZ 2.9Å; M131-V174 HydrophobicContact SD-CB 3.94Å; M131-V174 HydrophobicContact SD-CG1 4.34Å; M131-P176 HydrophobicContact CE-CG 3.51Å
132A98.6Very high96.9Very high2 Ų244.4 Ų44.42%0.01725%0.253CS..  trans-95.9-146169.700000110.6N130 V153 I154 C173 V174 C175N130-A132 PolarHBondContact O-N 2.86Å; A132-V153 HydrophobicContact CB-CB 4.46Å; A132-V153 HydrophobicContact CB-CG1 4.03Å; A132-I154 HydrophobicContact CB-CG1 4.22Å; A132-C173 HydrophobicContact CB-CB 4.04Å; A132-V174 CarbonylContact C-O 3.57Å; A132-V174 VanDerWaalsContact CA-O 3.3Å; A132-V174 WeakPolarHBondContact CA-O 3.38Å; A132-V174 WeakPolarHBondContact CB-O 3.17Å; A132-V174 PolarHBondContact N-O 2.86Å; A132-C175 VanDerWaalsContact CB-SG 3.56Å
133S98.4Very high96.9Very high6 Ų637.3 Ų37.34%0.04222%0.219CC..  trans-165.8156.9175.7-178.50000110.1A135 S136 Y146S133-A135 PolarHBondContact O-N 2.96Å; S133-A135 WeakPolarHBondContact OG-CB 3.39Å; S133-A135 PolarHBondContact OG-N 2.91Å; S133-A135 VanDerWaalsContact OG-N 3.1Å; S133-S136 PolarHBondContact O-N 2.95Å; S133-S136 PolarHBondContact O-OG 3.28Å; S133-Y146 WeakPolarHBondContact CB-OH 3.42Å; S133-Y146 PolarHBondContact OG-OH 3.03Å
134V97Very high97Very high0 Ų033.9 Ų33.90%021%0.208CC..G310 helixtrans-65.5-19.4165.1-61.80000113.3S136 I137 V138 C175 P176 I237 D239 W242V134-S136 PolarHBondContact O-N 3.04Å; V134-I137 PolarHBondContact O-N 3.44Å; V134-V138 WeakPolarHBondContact O-CG2 3.17Å; V134-V138 PolarHBondContact O-N 3.16Å; V134-C175 HydrophobicContact CG1-CB 4.36Å; V134-C175 WeakPolarHBondContact CG1-O 3.35Å; V134-P176 WeakPolarHBondContact CG2-O 3.43Å; V134-P176 PolarHBondContact N-O 3.02Å; V134-I237 HydrophobicContact CG1-CG2 3.99Å; V134-D239 HydrophobicContact CG1-CB 3.54Å; V134-D239 HydrophobicContact CG2-CB 4.48Å; V134-W242 HydrophobicContact CG2-CD2 4.19Å; V134-W242 HydrophobicContact CG2-CE3 3.34Å; V134-W242 HydrophobicContact CG2-CH2 4.27Å; V134-W242 HydrophobicContact CG2-CZ3 3.38Å
135A95Very high97Very high5 Ų526.1 Ų26.14%0.04117%0.174CC..G310 helixtrans-64.7-7.6175.300000113.8S133 V140 Y146 S147S133-A135 PolarHBondContact O-N 2.96Å; S133-A135 WeakPolarHBondContact OG-CB 3.39Å; S133-A135 PolarHBondContact OG-N 2.91Å; S133-A135 VanDerWaalsContact OG-N 3.1Å; A135-V140 HydrophobicContact CB-CB 4.09Å; A135-V140 HydrophobicContact CB-CG2 3.79Å; A135-Y146 HydrophobicContact CB-CD1 4.03Å; A135-Y146 HydrophobicContact CB-CE1 3.82Å; A135-S147 WeakPolarHBondContact O-CB 2.77Å; A135-S147 PolarHBondContact O-OG 3.27Å
136S90.1Very high97Very high25 Ų2525.4 Ų25.418%0.17517%0.165CC..G310 helixtrans-97.7-5.9169.956.50000114.5S133 V134 K150 I154S133-S136 PolarHBondContact O-N 2.95Å; S133-S136 PolarHBondContact O-OG 3.28Å; V134-S136 PolarHBondContact O-N 3.04Å; S136-K150 PolarHBondContact OG-O 3.17Å; S136-I154 WeakPolarHBondContact OG-CD1 3.35Å
137I93.8Very high97Very high66 Ų6626.2 Ų26.234%0.33817%0.17SC..THydrogen-bonded Turntrans-108.2-37.8-177-58.7176.3000110.3V134 I154 C175 I237V134-I137 PolarHBondContact O-N 3.44Å; I137-I154 HydrophobicContact CG1-CD1 4.05Å; I137-C175 HydrophobicContact CD1-CB 4.18Å; I137-I237 HydrophobicContact CD1-CD1 3.21Å
138V94.2Very high97Very high48 Ų4828.8 Ų28.829%0.29119%0.185SC..SBendtrans-119153.8174-620000110.3V134 V140 R243V134-V138 WeakPolarHBondContact O-CG2 3.17Å; V134-V138 PolarHBondContact O-N 3.16Å; V138-V140 HydrophobicContact CG2-CG2 4.26Å; V138-V140 PolarHBondContact O-N 3.33Å; V138-R243 HydrophobicContact CG1-CB 3.87Å
139G95.1Very high97Very high85 Ų8528.8 Ų28.888%0.87619%0.185SC*.  trans-65.5124.4174.100000111.1
140V95.4Very high97Very high22 Ų2229.1 Ų29.113%0.13319%0.187CC..  trans-122.8124.2175.7-179.20000109.1A135 V138 R143 W242A135-V140 HydrophobicContact CB-CB 4.09Å; A135-V140 HydrophobicContact CB-CG2 3.79Å; V138-V140 HydrophobicContact CG2-CG2 4.26Å; V138-V140 PolarHBondContact O-N 3.33Å; V140-R143 HydrophobicContact CB-CB 4.43Å; V140-R143 HydrophobicContact CB-CG 4.41Å; V140-R143 HydrophobicContact CG1-CB 4.34Å; V140-R143 HydrophobicContact CG1-CG 3.8Å; V140-W242 HydrophobicContact CG1-CH2 3.97Å; V140-W242 HydrophobicContact CG1-CZ2 4.07Å; V140-W242 HydrophobicContact CG2-CH2 3.74Å; V140-W242 HydrophobicContact CG2-CZ2 3.74Å
141V95.9Very high97Very high109 Ų10931.1 Ų31.166%0.66120%0.204SC*.THydrogen-bonded Turntrans-63148.3-179.4-62.10000111.9R143V141-R143 VanDerWaalsContact C-N 3.26Å; V141-R143 PolarHBondContact O-N 2.95Å
142N96.4Very high97Very high63 Ų6332.3 Ų32.334%0.33722%0.215SC..THydrogen-bonded Turntrans56.933178.8-55-19.3000114.2G88G88-N142 PolarHBondContact N-O 2.92Å; G88-N142 CarbonylContact O-C 2.96Å; G88-N142 WeakPolarHBondContact O-CA 3.3Å
143R97.9Very high97Very high15 Ų1532.2 Ų32.26%0.05721%0.214CC..BIsolated β-bridgetrans-132.430.9-178.4-68.1-62.5179.7-811114H87 G88 V140 V141 Y146 S147H87-R143 PolarHBondContact CD2-NH1 3.01Å; H87-R143 VanDerWaalsContact CD2-NH1 3.33Å; G88-R143 PolarHBondContact O-N 2.88Å; G88-R143 VanDerWaalsContact O-N 3.12Å; V140-R143 HydrophobicContact CB-CB 4.43Å; V140-R143 HydrophobicContact CB-CG 4.41Å; V140-R143 HydrophobicContact CG1-CB 4.34Å; V140-R143 HydrophobicContact CG1-CG 3.8Å; V141-R143 VanDerWaalsContact C-N 3.26Å; V141-R143 PolarHBondContact O-N 2.95Å; R143-Y146 HydrophobicContact CB-CD1 4.28Å; R143-Y146 HydrophobicContact CG-CD1 4.39Å; R143-Y146 PolarHBondContact O-N 3.42Å; R143-S147 VanDerWaalsContact O-CB 3.26Å; R143-S147 WeakPolarHBondContact O-CB 3.3Å; R143-S147 PolarHBondContact O-N 2.96Å; R143-S147 PolarHBondContact O-OG 2.89Å
144C98.6Very high97Very high33 Ų3332.8 Ų32.822%0.22322%0.217CC..Hα-helixtrans-48.6-71.9-169.8-179.50000114.2G88 T89 V90 Y146 S147 T148G88-C144 PolarHBondContact O-N 2.92Å; T89-C144 VanDerWaalsContact C-CB 3.49Å; V90-C144 HydrophobicContact CB-CB 4.49Å; C144-Y146 VanDerWaalsContact C-N 3.28Å; C144-Y146 PolarHBondContact O-N 2.89Å; C144-S147 PolarHBondContact O-N 2.82Å; C144-T148 PolarHBondContact O-N 3.41Å; C144-T148 PolarHBondContact O-OG1 3.18Å; C144-T148 VanDerWaalsContact O-OG1 3.1Å
145V98.8Very high97.1Very high0 Ų034.9 Ų34.90%024%0.238CC..Hα-helixtrans-66.8-29.3-178.264.70000112.9H86 W98 T101 M102 T148 S149H86-V145 HydrophobicContact CB-CG1 3.53Å; W98-V145 HydrophobicContact CD2-CG2 3.95Å; W98-V145 HydrophobicContact CE3-CB 3.75Å; W98-V145 HydrophobicContact CE3-CG2 3.57Å; W98-V145 HydrophobicContact CG-CG2 4.46Å; W98-V145 HydrophobicContact CZ3-CB 4.11Å; W98-V145 HydrophobicContact CZ3-CG2 4.04Å; T101-V145 HydrophobicContact CG2-CB 4.41Å; T101-V145 HydrophobicContact CG2-CG1 3.96Å; T101-V145 HydrophobicContact CG2-CG2 3.78Å; M102-V145 HydrophobicContact CG-CG2 4.29Å; V145-T148 PolarHBondContact O-N 2.95Å; V145-S149 VanDerWaalsContact O-CB 3.29Å; V145-S149 WeakPolarHBondContact O-CB 3.14Å; V145-S149 PolarHBondContact O-N 2.82Å; V145-S149 PolarHBondContact O-OG 3.19Å
146Y98.8Very high97.3Very high33 Ų3336.5 Ų36.513%0.12925%0.246CC..Hα-helixtrans-62.1-53.5174.7177.3-109.9000111.2F84 V85 S133 A135 R143 C144 T148 S149 K150F84-Y146 VanDerWaalsContact O-CD2 3.3Å; F84-Y146 WeakPolarHBondContact O-CD2 3.36Å; V85-Y146 HydrophobicContact CB-CD2 4.21Å; V85-Y146 HydrophobicContact CB-CE2 4.31Å; V85-Y146 HydrophobicContact CG1-CD1 4.2Å; V85-Y146 HydrophobicContact CG1-CD2 4.16Å; V85-Y146 HydrophobicContact CG1-CE1 4.4Å; V85-Y146 HydrophobicContact CG1-CE2 4.36Å; V85-Y146 HydrophobicContact CG1-CG 4.05Å; V85-Y146 HydrophobicContact CG2-CD2 4.03Å; V85-Y146 HydrophobicContact CG2-CE2 3.64Å; S133-Y146 WeakPolarHBondContact CB-OH 3.42Å; S133-Y146 PolarHBondContact OG-OH 3.03Å; A135-Y146 HydrophobicContact CB-CD1 4.03Å; A135-Y146 HydrophobicContact CB-CE1 3.82Å; R143-Y146 HydrophobicContact CB-CD1 4.28Å; R143-Y146 HydrophobicContact CG-CD1 4.39Å; R143-Y146 PolarHBondContact O-N 3.42Å; C144-Y146 VanDerWaalsContact C-N 3.28Å; C144-Y146 PolarHBondContact O-N 2.89Å; Y146-T148 PolarHBondContact O-N 3.08Å; Y146-S149 PolarHBondContact O-N 3.21Å; Y146-S149 PolarHBondContact O-OG 3.46Å; Y146-K150 HydrophobicContact CD2-CG 4.12Å; Y146-K150 HydrophobicContact CE1-CG 4.27Å; Y146-K150 HydrophobicContact CE2-CD 4.19Å; Y146-K150 VanDerWaalsContact CE2-CE 3.5Å; Y146-K150 HydrophobicContact CE2-CG 3.71Å; Y146-K150 WeakPolarHBondContact O-CG 3.49Å; Y146-K150 PolarHBondContact O-N 3.43Å
147S98.8Very high97.7Very high22 Ų2235.3 Ų35.315%0.15424%0.237CC..Hα-helixtrans-57.6-46.3176.4-74.30000111.7A135 R143 C144 S149 K150 A151A135-S147 WeakPolarHBondContact O-CB 2.77Å; A135-S147 PolarHBondContact O-OG 3.27Å; R143-S147 VanDerWaalsContact O-CB 3.26Å; R143-S147 WeakPolarHBondContact O-CB 3.3Å; R143-S147 PolarHBondContact O-N 2.96Å; R143-S147 PolarHBondContact O-OG 2.89Å; C144-S147 PolarHBondContact O-N 2.82Å; S147-S149 PolarHBondContact O-N 3.03Å; S147-K150 PolarHBondContact O-N 3.33Å; S147-A151 WeakPolarHBondContact O-CB 3.41Å; S147-A151 PolarHBondContact O-N 2.82Å
148T98.9Very high98Very high59 Ų5936.7 Ų36.736%0.36224%0.241SC..Hα-helixtrans-57-50.5175.4-59.40000111.4W98 C144 V145 Y146 K150 A151 A152W98-T148 HydrophobicContact CH2-CG2 3.75Å; W98-T148 HydrophobicContact CZ2-CG2 4.33Å; C144-T148 PolarHBondContact O-N 3.41Å; C144-T148 PolarHBondContact O-OG1 3.18Å; C144-T148 VanDerWaalsContact O-OG1 3.1Å; V145-T148 PolarHBondContact O-N 2.95Å; Y146-T148 PolarHBondContact O-N 3.08Å; T148-K150 VanDerWaalsContact C-N 3.34Å; T148-K150 PolarHBondContact O-N 2.8Å; T148-A151 PolarHBondContact O-N 3.34Å; T148-A152 PolarHBondContact O-N 2.92Å
149S98.9Very high98.2Very high0 Ų037.2 Ų37.20%025%0.247CC..Hα-helixtrans-62.9-39.3-179.372.80000112.5N105 V145 Y146 S147 A151 A152 V153N105-S149 WeakPolarHBondContact CB-OG 3.45Å; N105-S149 PolarHBondContact ND2-OG 3Å; V145-S149 VanDerWaalsContact O-CB 3.29Å; V145-S149 WeakPolarHBondContact O-CB 3.14Å; V145-S149 PolarHBondContact O-N 2.82Å; V145-S149 PolarHBondContact O-OG 3.19Å; Y146-S149 PolarHBondContact O-N 3.21Å; Y146-S149 PolarHBondContact O-OG 3.46Å; S147-S149 PolarHBondContact O-N 3.03Å; S149-A151 VanDerWaalsContact C-N 3.34Å; S149-A152 WeakPolarHBondContact O-CB 3.36Å; S149-A152 PolarHBondContact O-N 2.92Å; S149-V153 WeakPolarHBondContact O-CG2 3.49Å; S149-V153 PolarHBondContact O-N 3.12Å
150K98.8Very high98.4Very high7 Ų733.7 Ų33.73%0.0321%0.208CC..Hα-helixtrans-74.7-23.8178.8-64.3-47.2-167.4176.20112.8M131 S136 Y146 S147 T148 V153 I154M131-K150 PolarHBondContact O-NZ 2.9Å; S136-K150 PolarHBondContact OG-O 3.17Å; Y146-K150 HydrophobicContact CD2-CG 4.12Å; Y146-K150 HydrophobicContact CE1-CG 4.27Å; Y146-K150 HydrophobicContact CE2-CD 4.19Å; Y146-K150 VanDerWaalsContact CE2-CE 3.5Å; Y146-K150 HydrophobicContact CE2-CG 3.71Å; Y146-K150 WeakPolarHBondContact O-CG 3.49Å; Y146-K150 PolarHBondContact O-N 3.43Å; S147-K150 PolarHBondContact O-N 3.33Å; T148-K150 VanDerWaalsContact C-N 3.34Å; T148-K150 PolarHBondContact O-N 2.8Å; K150-V153 HydrophobicContact CD-CG2 4.34Å; K150-I154 PolarHBondContact O-N 3.28Å
151A98.8Very high98.6Very high43 Ų4332.9 Ų32.936%0.35520%0.204SC..Hα-helixtrans-71-40.716800000111S147 T148 S149 V153 I154 G155S147-A151 WeakPolarHBondContact O-CB 3.41Å; S147-A151 PolarHBondContact O-N 2.82Å; T148-A151 PolarHBondContact O-N 3.34Å; S149-A151 VanDerWaalsContact C-N 3.34Å; A151-V153 VanDerWaalsContact C-N 3.26Å; A151-V153 PolarHBondContact O-N 3.34Å; A151-I154 WeakPolarHBondContact O-CB 3.28Å; A151-I154 PolarHBondContact O-N 3.43Å; A151-I154 VanDerWaalsContact O-N 3.09Å; A151-G155 PolarHBondContact O-N 3.14Å; A151-G155 VanDerWaalsContact O-N 3.11Å
152A98.9Very high98.7Very high35 Ų3531.1 Ų31.129%0.28920%0.2SC..Hα-helixtrans-60.2-36173.100000112.2V106 T148 S149 I154 G155 L156V106-A152 HydrophobicContact CG1-CB 4.04Å; V106-A152 HydrophobicContact CG2-CB 3.95Å; T148-A152 PolarHBondContact O-N 2.92Å; S149-A152 WeakPolarHBondContact O-CB 3.36Å; S149-A152 PolarHBondContact O-N 2.92Å; A152-I154 VanDerWaalsContact C-N 3.34Å; A152-I154 PolarHBondContact O-N 3.13Å; A152-G155 PolarHBondContact O-N 2.92Å; A152-L156 WeakPolarHBondContact O-CB 3.44Å; A152-L156 PolarHBondContact O-N 3.27Å
153V98.9Very high98.8Very high0 Ų032.7 Ų32.70%021%0.209CC..Hα-helixtrans-61-40173.4173.50000112.2M109 N130 A132 S149 K150 A151 L156 T157M109-V153 HydrophobicContact CE-CG1 4.42Å; M109-V153 HydrophobicContact CE-CG2 4.03Å; M109-V153 HydrophobicContact SD-CB 4.46Å; M109-V153 HydrophobicContact SD-CG1 3.89Å; M109-V153 HydrophobicContact SD-CG2 3.72Å; N130-V153 HydrophobicContact CB-CG1 3.62Å; A132-V153 HydrophobicContact CB-CB 4.46Å; A132-V153 HydrophobicContact CB-CG1 4.03Å; S149-V153 WeakPolarHBondContact O-CG2 3.49Å; S149-V153 PolarHBondContact O-N 3.12Å; K150-V153 HydrophobicContact CD-CG2 4.34Å; A151-V153 VanDerWaalsContact C-N 3.26Å; A151-V153 PolarHBondContact O-N 3.34Å; V153-L156 PolarHBondContact O-N 3.2Å; V153-T157 WeakPolarHBondContact O-CB 3.3Å; V153-T157 PolarHBondContact O-N 2.85Å; V153-T157 PolarHBondContact O-OG1 2.85Å
154I98.9Very high98.9Very high19 Ų1934.3 Ų34.310%0.09722%0.216CC..Hα-helixtrans-62.8-46.4175-66.6171000110A132 S136 I137 K150 A151 A152 T157 K158 E235A132-I154 HydrophobicContact CB-CG1 4.22Å; S136-I154 WeakPolarHBondContact OG-CD1 3.35Å; I137-I154 HydrophobicContact CG1-CD1 4.05Å; K150-I154 PolarHBondContact O-N 3.28Å; A151-I154 WeakPolarHBondContact O-CB 3.28Å; A151-I154 PolarHBondContact O-N 3.43Å; A151-I154 VanDerWaalsContact O-N 3.09Å; A152-I154 VanDerWaalsContact C-N 3.34Å; A152-I154 PolarHBondContact O-N 3.13Å; I154-T157 WeakPolarHBondContact O-CB 3.29Å; I154-T157 PolarHBondContact O-N 2.83Å; I154-K158 HydrophobicContact CG2-CD 4.39Å; I154-K158 PolarHBondContact O-N 2.95Å; I154-E235 HydrophobicContact CD1-CG 4.05Å; I154-E235 HydrophobicContact CG1-CG 4.03Å; I154-E235 HydrophobicContact CG2-CG 3.85Å; I154-E235 VanDerWaalsContact CG2-OE1 3.25Å; I154-E235 WeakPolarHBondContact CG2-OE1 3.35Å
155G98.9Very high98.9Very high43 Ų4337.3 Ų37.344%0.44323%0.229SC..Hα-helixtrans-58.4-48.5176.600000112.8A151 A152 T157 K158 S159A151-G155 PolarHBondContact O-N 3.14Å; A151-G155 VanDerWaalsContact O-N 3.11Å; A152-G155 PolarHBondContact O-N 2.92Å; G155-T157 VanDerWaalsContact C-N 3.31Å; G155-T157 PolarHBondContact O-N 3.29Å; G155-K158 PolarHBondContact O-N 3.27Å; G155-S159 PolarHBondContact O-N 3.11Å
156L98.9Very high98.9Very high39 Ų3946.2 Ų46.220%0.20427%0.271CS..Hα-helixtrans-58.5-43176.3177.962.6000111.8M109 A152 V153 S159 I160M109-L156 HydrophobicContact CB-CD2 3.82Å; A152-L156 WeakPolarHBondContact O-CB 3.44Å; A152-L156 PolarHBondContact O-N 3.27Å; V153-L156 PolarHBondContact O-N 3.2Å; L156-S159 PolarHBondContact O-N 3.46Å; L156-I160 HydrophobicContact CD1-CD1 3.86Å; L156-I160 HydrophobicContact CD1-CG1 4.23Å; L156-I160 HydrophobicContact CG-CD1 4Å; L156-I160 WeakPolarHBondContact O-CG1 3.13Å; L156-I160 PolarHBondContact O-N 2.56Å
157T98.9Very high98.9Very high1 Ų148.3 Ų48.31%0.00628%0.282CS..Hα-helixtrans-60-49.5179.4-60.80000111.1N130 V153 I154 G155 I160 A161 C171 N172 C173N130-T157 PolarHBondContact ND2-OG1 3.24Å; V153-T157 WeakPolarHBondContact O-CB 3.3Å; V153-T157 PolarHBondContact O-N 2.85Å; V153-T157 PolarHBondContact O-OG1 2.85Å; I154-T157 WeakPolarHBondContact O-CB 3.29Å; I154-T157 PolarHBondContact O-N 2.83Å; G155-T157 VanDerWaalsContact C-N 3.31Å; G155-T157 PolarHBondContact O-N 3.29Å; T157-I160 PolarHBondContact O-N 3.37Å; T157-A161 WeakPolarHBondContact O-CB 3.3Å; T157-A161 PolarHBondContact O-N 2.9Å; T157-C171 HydrophobicContact CG2-CB 4.43Å; T157-C171 WeakPolarHBondContact CG2-O 3.47Å; T157-N172 VanDerWaalsContact CG2-CA 3.5Å; T157-C173 HydrophobicContact CG2-CB 4.04Å
158K98.9Very high98.8Very high95 Ų9549 Ų4941%0.41329%0.293SS..Hα-helixtrans-66-38.1179.5-70.3-176.1-179.9177.90112.7I154 G155 A161 A162 E235I154-K158 HydrophobicContact CG2-CD 4.39Å; I154-K158 PolarHBondContact O-N 2.95Å; G155-K158 PolarHBondContact O-N 3.27Å; K158-A161 PolarHBondContact O-N 3.06Å; K158-A162 WeakPolarHBondContact O-CB 3.47Å; K158-A162 PolarHBondContact O-N 2.85Å; K158-E235 WeakPolarHBondContact CE-OE1 3.4Å; K158-E235 IonicContact NZ-OE1 3.94Å; K158-E235 PolarHBondContact NZ-OE1 3.36Å; K158-E235 IonicContact NZ-OE2 3.88Å
159S98.9Very high98.8Very high59 Ų5946.3 Ų46.341%0.41328%0.276SS..Hα-helixtrans-58.6-54.3174.9-170.80000110.9G155 L156 A161 A162 D163G155-S159 PolarHBondContact O-N 3.11Å; L156-S159 PolarHBondContact O-N 3.46Å; S159-A161 VanDerWaalsContact C-N 3.31Å; S159-A161 PolarHBondContact O-N 3.41Å; S159-A162 PolarHBondContact O-N 3.43Å; S159-A162 VanDerWaalsContact O-N 3.16Å; S159-D163 WeakPolarHBondContact O-CB 3.33Å; S159-D163 VanDerWaalsContact O-CG 3.24Å; S159-D163 PolarHBondContact O-N 3.23Å; S159-D163 PolarHBondContact OG-OD2 3.09Å
160I98.9Very high98.8Very high10 Ų1047.7 Ų47.75%0.05128%0.281CS..Hα-helixtrans-61.6-41.6-179.9-65.2170.1000110.9C113 I128 L156 T157 A162 F164 I169 C171C113-I160 HydrophobicContact CB-CD1 3.88Å; I128-I160 HydrophobicContact CD1-CG2 4Å; L156-I160 HydrophobicContact CD1-CD1 3.86Å; L156-I160 HydrophobicContact CD1-CG1 4.23Å; L156-I160 HydrophobicContact CG-CD1 4Å; L156-I160 WeakPolarHBondContact O-CG1 3.13Å; L156-I160 PolarHBondContact O-N 2.56Å; T157-I160 PolarHBondContact O-N 3.37Å; I160-A162 VanDerWaalsContact C-N 3.34Å; I160-A162 PolarHBondContact O-N 3.44Å; I160-F164 HydrophobicContact CG2-CD2 4.03Å; I160-F164 WeakPolarHBondContact O-CD2 3.35Å; I160-F164 PolarHBondContact O-N 3.21Å; I160-I169 HydrophobicContact CG2-CG2 4.41Å; I160-C171 HydrophobicContact CB-CB 4.04Å; I160-C171 HydrophobicContact CG2-CB 3.78Å
161A98.9Very high98.9Very high6 Ų647.4 Ų47.45%0.0528%0.28CS..Hα-helixtrans-59.3-46.1176.500000111.5T157 K158 S159 I165 C171T157-A161 WeakPolarHBondContact O-CB 3.3Å; T157-A161 PolarHBondContact O-N 2.9Å; K158-A161 PolarHBondContact O-N 3.06Å; S159-A161 VanDerWaalsContact C-N 3.31Å; S159-A161 PolarHBondContact O-N 3.41Å; A161-I165 WeakPolarHBondContact O-CB 3.37Å; A161-I165 PolarHBondContact O-N 2.88Å; A161-C171 HydrophobicContact CB-CB 4.06Å
162A98.8Very high98.9Very high72 Ų7245.3 Ų45.360%0.59526%0.263SS*.Hα-helixtrans-69.2-45-178.600000112.8K158 S159 I160 F164K158-A162 WeakPolarHBondContact O-CB 3.47Å; K158-A162 PolarHBondContact O-N 2.85Å; S159-A162 PolarHBondContact O-N 3.43Å; S159-A162 VanDerWaalsContact O-N 3.16Å; I160-A162 VanDerWaalsContact C-N 3.34Å; I160-A162 PolarHBondContact O-N 3.44Å; A162-F164 VanDerWaalsContact C-N 3.31Å; A162-F164 PolarHBondContact O-N 3.38Å
163D98.9Very high98.9Very high95 Ų9543.7 Ų43.751%0.50825%0.249SC..Hα-helixtrans-66.3-32.5-174.5-70.4-32.2000112.7S159S159-D163 WeakPolarHBondContact O-CB 3.33Å; S159-D163 VanDerWaalsContact O-CG 3.24Å; S159-D163 PolarHBondContact O-N 3.23Å; S159-D163 PolarHBondContact OG-OD2 3.09Å
164F98.9Very high98.9Very high49 Ų4943.7 Ų43.722%0.21525%0.249CC..Hα-helixtrans-120.29.1-167.9-53.8-80.2000115L117 L121 I160 A162 E166 Q167 I169L117-F164 HydrophobicContact CD2-CD1 4.19Å; L117-F164 HydrophobicContact CD2-CD2 3.74Å; L117-F164 HydrophobicContact CD2-CE1 3.91Å; L117-F164 HydrophobicContact CD2-CE2 3.43Å; L117-F164 VanDerWaalsContact CD2-CE2 3.43Å; L117-F164 HydrophobicContact CD2-CG 4.15Å; L117-F164 HydrophobicContact CD2-CZ 3.53Å; L121-F164 HydrophobicContact CD1-CD1 4Å; L121-F164 HydrophobicContact CD1-CE1 3.98Å; L121-F164 HydrophobicContact CD2-CB 4.34Å; L121-F164 HydrophobicContact CD2-CD1 3.72Å; L121-F164 HydrophobicContact CD2-CG 4.34Å; L121-F164 HydrophobicContact CG-CD1 4.45Å; I160-F164 HydrophobicContact CG2-CD2 4.03Å; I160-F164 WeakPolarHBondContact O-CD2 3.35Å; I160-F164 PolarHBondContact O-N 3.21Å; A162-F164 VanDerWaalsContact C-N 3.31Å; A162-F164 PolarHBondContact O-N 3.38Å; F164-E166 VanDerWaalsContact C-N 3.33Å; F164-E166 PolarHBondContact O-N 3.47Å; F164-Q167 VanDerWaalsContact CA-OE1 3.28Å; F164-Q167 PolarHBondContact O-N 3.23Å; F164-I169 HydrophobicContact CB-CB 3.64Å; F164-I169 HydrophobicContact CB-CG1 3.64Å; F164-I169 HydrophobicContact CB-CG2 4.19Å; F164-I169 WeakPolarHBondContact O-CB 3.17Å; F164-I169 PolarHBondContact O-N 3.2Å
165I98.6Very high98.9Very high96 Ų9642.8 Ų42.849%0.49225%0.245SC..G310 helixtrans-58.8-41.1-178.6-167.7167000112.8A161 Q167 G168 T232A161-I165 WeakPolarHBondContact O-CB 3.37Å; A161-I165 PolarHBondContact O-N 2.88Å; I165-Q167 PolarHBondContact O-N 2.9Å; I165-G168 PolarHBondContact O-N 2.92Å; I165-G168 VanDerWaalsContact O-N 3.17Å; I165-T232 HydrophobicContact CD1-CG2 3.95Å
166E98.6Very high98.8Very high187 Ų18741.1 Ų41.187%0.87423%0.226SC*.G310 helixtrans-70.4-12180-63.3-171.1166.800113.1F164F164-E166 VanDerWaalsContact C-N 3.33Å; F164-E166 PolarHBondContact O-N 3.47Å
167Q98.8Very high98.7Very high78 Ų7839.9 Ų39.936%0.36422%0.223SC..G310 helixtrans-10517176.3-53.7112.729.100112.6L121 K124 F164 I165L121-Q167 HydrophobicContact CD2-CB 3.79Å; L121-Q167 HydrophobicContact CD2-CG 4.44Å; K124-Q167 CarbonylContact C-O 3.51Å; K124-Q167 VanDerWaalsContact CA-O 3.3Å; K124-Q167 WeakPolarHBondContact CA-O 2.99Å; F164-Q167 VanDerWaalsContact CA-OE1 3.28Å; F164-Q167 PolarHBondContact O-N 3.23Å; I165-Q167 PolarHBondContact O-N 2.9Å
168G98.6Very high98.6Very high37 Ų3740.2 Ų40.238%0.38123%0.225SC..THydrogen-bonded Turntrans79.321.6173.600000114.5S125 G126 I165S125-G168 WeakPolarHBondContact CA-O 3.46Å; G126-G168 PolarHBondContact N-O 2.87Å; I165-G168 PolarHBondContact O-N 2.92Å; I165-G168 VanDerWaalsContact O-N 3.17Å
169I98.9Very high98.6Very high2 Ų236.3 Ų36.31%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-96.3131.6179.2-52.2-54.6000110.8L117 M120 L121 G126 I160 F164L117-I169 HydrophobicContact CD1-CD1 4.22Å; L117-I169 HydrophobicContact CD1-CG1 4.06Å; L117-I169 HydrophobicContact CD1-CG2 3.98Å; M120-I169 HydrophobicContact CB-CD1 3.6Å; L121-I169 HydrophobicContact CD2-CD1 4.06Å; L121-I169 HydrophobicContact CD2-CG1 3.68Å; G126-I169 WeakPolarHBondContact O-CA 3.32Å; I160-I169 HydrophobicContact CG2-CG2 4.41Å; F164-I169 HydrophobicContact CB-CB 3.64Å; F164-I169 HydrophobicContact CB-CG1 3.64Å; F164-I169 HydrophobicContact CB-CG2 4.19Å; F164-I169 WeakPolarHBondContact O-CB 3.17Å; F164-I169 PolarHBondContact O-N 3.2Å
170R98.9Very high98.6Very high29 Ų2936.2 Ų36.211%0.10920%0.204CC..EExtended strand (participates in β ladder)trans-106.6141.3167.3-54.6-170.2-58.1107-6.5110.1G126 N127 I128 L223 S225 S228 A229 V231 T232G126-R170 PolarHBondContact O-N 2.67Å; N127-R170 CarbonylContact C-O 3.57Å; N127-R170 WeakPolarHBondContact CA-O 3.47Å; N127-R170 PolarHBondContact ND2-NH2 3.06Å; N127-R170 VanDerWaalsContact ND2-NH2 3.12Å; I128-R170 PolarHBondContact N-O 3.2Å; R170-L223 PolarHBondContact NH2-O 2.74Å; R170-S225 PolarHBondContact NH2-O 2.93Å; R170-S228 PolarHBondContact NH1-O 2.81Å; R170-S228 VanDerWaalsContact NH1-O 3.08Å; R170-S228 PolarHBondContact NH1-OG 3.01Å; R170-S228 VanDerWaalsContact NH1-OG 3.13Å; R170-S228 PolarHBondContact NH2-OG 3.08Å; R170-A229 WeakPolarHBondContact CD-O 3.48Å; R170-V231 WeakPolarHBondContact CD-O 3.29Å; R170-V231 PolarHBondContact NH1-O 2.87Å; R170-T232 WeakPolarHBondContact CA-OG1 3.24Å
171C98.9Very high98.5Very high0 Ų036.6 Ų36.60%021%0.206CC..EExtended strand (participates in β ladder)trans-139.6119.7172.4-166.60000109.7I128 T157 I160 A161 T232 G233I128-C171 HydrophobicContact CB-CB 4.32Å; I128-C171 CarbonylContact O-C 3.26Å; I128-C171 VanDerWaalsContact O-CA 3.3Å; I128-C171 WeakPolarHBondContact O-CA 3.3Å; T157-C171 HydrophobicContact CG2-CB 4.43Å; T157-C171 WeakPolarHBondContact CG2-O 3.47Å; I160-C171 HydrophobicContact CB-CB 4.04Å; I160-C171 HydrophobicContact CG2-CB 3.78Å; A161-C171 HydrophobicContact CB-CB 4.06Å; C171-T232 PolarHBondContact N-OG1 3.19Å; C171-T232 VanDerWaalsContact N-OG1 3.12Å; C171-G233 WeakPolarHBondContact O-CA 3.42Å; C171-G233 PolarHBondContact O-N 2.89Å
172N98.9Very high98.4Very high0 Ų038.5 Ų38.50%022%0.218CC..EExtended strand (participates in β ladder)trans-131.1162.4179.8-63.1-68.2000110.5I128 I129 N130 T157 V231 T232 G233 T234I128-N172 PolarHBondContact O-N 2.87Å; I129-N172 CarbonylContact C-O 3.2Å; I129-N172 WeakPolarHBondContact CA-O 3.35Å; N130-N172 PolarHBondContact N-O 2.94Å; T157-N172 VanDerWaalsContact CG2-CA 3.5Å; N172-V231 PolarHBondContact ND2-O 3.49Å; N172-T232 VanDerWaalsContact OD1-C 3.26Å; N172-T232 WeakPolarHBondContact OD1-CA 3.29Å; N172-G233 PolarHBondContact OD1-N 3.31Å; N172-T234 PolarHBondContact OD1-N 2.82Å; N172-T234 PolarHBondContact OD1-OG1 2.91Å
173C98.9Very high98.2Very high1 Ų137.2 Ų37.21%0.00721%0.205CC..EExtended strand (participates in β ladder)trans-128.8150.8172.968.30000112.2N130 A132 T157 T234 H236N130-C173 HydrophobicContact CB-CB 4.14Å; N130-C173 CarbonylContact O-C 3.58Å; N130-C173 WeakPolarHBondContact O-CA 3.29Å; N130-C173 VanDerWaalsContact O-CB 3.29Å; N130-C173 WeakPolarHBondContact O-CB 3.41Å; A132-C173 HydrophobicContact CB-CB 4.04Å; T157-C173 HydrophobicContact CG2-CB 4.04Å; C173-T234 PolarHBondContact N-O 3.46Å; C173-T234 VanDerWaalsContact N-O 3.08Å; C173-H236 PolarHBondContact O-N 3.29Å
174V98.9Very high98.1Very high0 Ų032.8 Ų32.80%018%0.181CC..EExtended strand (participates in β ladder)trans-103.9130.4177.1-178.10000108.6I129 N130 M131 A132 P176 V216 L219 L223 I238I129-V174 HydrophobicContact CG2-CG2 3.98Å; N130-V174 PolarHBondContact O-N 3.12Å; M131-V174 HydrophobicContact SD-CB 3.94Å; M131-V174 HydrophobicContact SD-CG1 4.34Å; A132-V174 CarbonylContact C-O 3.57Å; A132-V174 VanDerWaalsContact CA-O 3.3Å; A132-V174 WeakPolarHBondContact CA-O 3.38Å; A132-V174 WeakPolarHBondContact CB-O 3.17Å; A132-V174 PolarHBondContact N-O 2.86Å; V174-P176 HydrophobicContact CG1-CG 4.12Å; V174-P176 WeakPolarHBondContact O-CD 3.32Å; V174-V216 HydrophobicContact CG1-CG1 4.12Å; V174-L219 HydrophobicContact CG1-CD2 3.8Å; V174-L219 HydrophobicContact CG2-CD2 4.41Å; V174-L223 HydrophobicContact CG2-CD1 3.65Å; V174-I238 HydrophobicContact CG1-CG2 3.97Å
175C98.7Very high98Very high0 Ų037.3 Ų37.30%020%0.197CC..EExtended strand (participates in β ladder)trans-11983.1-177.9-63.20000110.1A132 V134 I137 H236 I237 I238A132-C175 VanDerWaalsContact CB-SG 3.56Å; V134-C175 HydrophobicContact CG1-CB 4.36Å; V134-C175 WeakPolarHBondContact CG1-O 3.35Å; I137-C175 HydrophobicContact CD1-CB 4.18Å; C175-H236 PolarHBondContact N-O 3.23Å; C175-I237 HydrophobicContact CB-CD1 3.6Å; C175-I238 PolarHBondContact O-N 3.12Å; C175-I238 VanDerWaalsContact O-N 3.08Å
176P98.4Very high97.9Very high8 Ų837.6 Ų37.65%0.05220%0.199CC..EExtended strand (participates in β ladder)trans-73156.5177.1-13.127.7000112.6I18 M131 V134 V174 V179 V216 I238I18-P176 HydrophobicContact CD1-CG 4.46Å; M131-P176 HydrophobicContact CE-CG 3.51Å; V134-P176 WeakPolarHBondContact CG2-O 3.43Å; V134-P176 PolarHBondContact N-O 3.02Å; V174-P176 HydrophobicContact CG1-CG 4.12Å; V174-P176 WeakPolarHBondContact O-CD 3.32Å; P176-V179 HydrophobicContact CB-CG2 3.58Å; P176-V179 HydrophobicContact CG-CG2 4.4Å; P176-V216 HydrophobicContact CG-CG1 4.4Å; P176-I238 CarbonylContact C-O 3.57Å; P176-I238 VanDerWaalsContact CA-O 3.3Å; P176-I238 WeakPolarHBondContact CA-O 3.26Å; P176-I238 HydrophobicContact CB-CG2 4.04Å; P176-I238 HydrophobicContact CG-CG2 4.24Å
177G96.9Very high97.7Very high13 Ų1331.2 Ų31.213%0.13417%0.167CC..SBendtrans-77.7-128.1159.700000112I238G177-I238 PolarHBondContact N-O 3.1Å
178T97Very high97.5Very high8 Ų827.9 Ų27.95%0.04915%0.152CC..  trans-92.6119.5177.7-48.90000110.3L184 F201 Q205 L210 C211T178-L184 HydrophobicContact CG2-CD1 4.24Å; T178-L184 HydrophobicContact CG2-CD2 3.61Å; T178-F201 HydrophobicContact CG2-CB 4.36Å; T178-F201 HydrophobicContact CG2-CD1 3.95Å; T178-F201 HydrophobicContact CG2-CG 4.45Å; T178-Q205 PolarHBondContact OG1-NE2 2.98Å; T178-L210 HydrophobicContact CG2-CD2 3.66Å; T178-C211 PolarHBondContact O-N 3.47Å
179V98.2Very high97.4Very high13 Ų1332.6 Ų32.68%0.07916%0.164CC..EExtended strand (participates in β ladder)trans-113127.1-178.6-169.10000110I18 P176 T181 L184 C211 V216I18-V179 HydrophobicContact CD1-CB 4.36Å; I18-V179 HydrophobicContact CD1-CG1 4.24Å; I18-V179 HydrophobicContact CD1-CG2 4.16Å; I18-V179 HydrophobicContact CG1-CG1 4.11Å; P176-V179 HydrophobicContact CB-CG2 3.58Å; P176-V179 HydrophobicContact CG-CG2 4.4Å; V179-T181 HydrophobicContact CB-CG2 4.23Å; V179-T181 HydrophobicContact CG1-CG2 3.87Å; V179-T181 PolarHBondContact O-N 3.46Å; V179-T181 PolarHBondContact O-OG1 2.93Å; V179-L184 VanDerWaalsContact O-CD2 3.28Å; V179-L184 WeakPolarHBondContact O-CD2 3.22Å; V179-C211 CarbonylContact C-O 3.57Å; V179-C211 VanDerWaalsContact CA-O 3.3Å; V179-C211 WeakPolarHBondContact CA-O 3.41Å; V179-C211 WeakPolarHBondContact CG1-O 3.43Å; V179-C211 HydrophobicContact CG2-CB 4.3Å; V179-V216 HydrophobicContact CG1-CG2 4.14Å; V179-V216 HydrophobicContact CG2-CG2 3.9Å
180D97.9Very high97.2Very high57 Ų5736.3 Ų36.331%0.30520%0.195SC..EExtended strand (participates in β ladder)trans-68.5103.8175.8-171.610.8000110.2R185 L210 C211D180-R185 IonicContact OD1-CZ 2.69Å; D180-R185 IonicContact OD1-NE 2.73Å; D180-R185 PolarHBondContact OD1-NE 3.34Å; D180-R185 IonicContact OD1-NH2 2.74Å; D180-R185 PolarHBondContact OD1-NH2 3.03Å; D180-R185 IonicContact OD2-CZ 3.56Å; D180-R185 IonicContact OD2-NE 2.64Å; D180-R185 IonicContact OD2-NH2 3.74Å; D180-R185 PolarHBondContact OD2-NH2 3.12Å; D180-L210 HydrophobicContact CB-CB 4.06Å; D180-L210 HydrophobicContact CB-CD1 3.99Å; D180-C211 PolarHBondContact N-O 3.31Å
181T98.1Very high96.9Very high18 Ų1837.8 Ų37.811%0.1120%0.203CC..  trans-139158-176.9560000109.2I18 V179 S183 L184 R185I18-T181 HydrophobicContact CG1-CG2 4.35Å; V179-T181 HydrophobicContact CB-CG2 4.23Å; V179-T181 HydrophobicContact CG1-CG2 3.87Å; V179-T181 PolarHBondContact O-N 3.46Å; V179-T181 PolarHBondContact O-OG1 2.93Å; T181-S183 VanDerWaalsContact C-N 3.26Å; T181-S183 PolarHBondContact O-N 3.47Å; T181-L184 WeakPolarHBondContact O-CB 3.34Å; T181-L184 PolarHBondContact O-N 2.88Å; T181-L184 PolarHBondContact OG1-N 3.43Å; T181-R185 PolarHBondContact O-N 3.37Å
182P97.2Very high96.7Very high45 Ų4544.2 Ų44.229%0.29225%0.245SC..Hα-helixtrans-51.5-45.6175.2-29.437.3000112.6Q16 L184 R185 D186Q16-P182 HydrophobicContact CB-CG 4.28Å; P182-L184 VanDerWaalsContact C-N 3.32Å; P182-L184 PolarHBondContact O-N 3.08Å; P182-R185 CarbonylContact O-C 3.59Å; P182-R185 WeakPolarHBondContact O-CA 3.31Å; P182-R185 WeakPolarHBondContact O-CB 3.41Å; P182-R185 PolarHBondContact O-N 3.23Å; P182-D186 PolarHBondContact O-N 3.08Å
183S94.5Very high96.6Very high45 Ų4548.2 Ų48.232%0.31527%0.266SS..Hα-helixtrans-61.2-33.7177.1179.60000114T181 R187T181-S183 VanDerWaalsContact C-N 3.26Å; T181-S183 PolarHBondContact O-N 3.47Å; S183-R187 WeakPolarHBondContact O-CG 3.4Å; S183-R187 PolarHBondContact O-N 3.15Å; S183-R187 VanDerWaalsContact O-N 3.13Å; S183-R187 PolarHBondContact O-NH1 3.08Å; S183-R187 PolarHBondContact OG-NH1 3.38Å
184L96.8Very high96.4Very high2 Ų249.9 Ų49.91%0.0128%0.277CS..Hα-helixtrans-66.6-46.6171.7176.767.2000110.9T178 V179 T181 P182 D186 R187 I188 F201 L210T178-L184 HydrophobicContact CG2-CD1 4.24Å; T178-L184 HydrophobicContact CG2-CD2 3.61Å; V179-L184 VanDerWaalsContact O-CD2 3.28Å; V179-L184 WeakPolarHBondContact O-CD2 3.22Å; T181-L184 WeakPolarHBondContact O-CB 3.34Å; T181-L184 PolarHBondContact O-N 2.88Å; T181-L184 PolarHBondContact OG1-N 3.43Å; P182-L184 VanDerWaalsContact C-N 3.32Å; P182-L184 PolarHBondContact O-N 3.08Å; L184-D186 VanDerWaalsContact C-N 3.32Å; L184-D186 PolarHBondContact O-N 3.33Å; L184-R187 VanDerWaalsContact CA-NH2 3.33Å; L184-R187 WeakPolarHBondContact O-CB 3.5Å; L184-R187 PolarHBondContact O-N 2.98Å; L184-I188 HydrophobicContact CD1-CD1 4.36Å; L184-I188 HydrophobicContact CG-CD1 4.08Å; L184-I188 WeakPolarHBondContact O-CG1 3.33Å; L184-I188 PolarHBondContact O-N 2.96Å; L184-F201 HydrophobicContact CD1-CD1 3.94Å; L184-F201 HydrophobicContact CD1-CD2 4.07Å; L184-F201 HydrophobicContact CD1-CE1 3.72Å; L184-F201 HydrophobicContact CD1-CE2 3.86Å; L184-F201 HydrophobicContact CD1-CG 4.12Å; L184-F201 HydrophobicContact CD1-CZ 3.68Å; L184-L210 HydrophobicContact CD2-CD1 3.72Å
185R96.7Very high96.3Very high145 Ų14556.7 Ų56.755%0.54731%0.309SS..Hα-helixtrans-60.8-42.9179.3-63.3177.4-175.5-173.4-1.6110.9D180 T181 P182 R187 I188 Q189D180-R185 IonicContact OD1-CZ 2.69Å; D180-R185 IonicContact OD1-NE 2.73Å; D180-R185 PolarHBondContact OD1-NE 3.34Å; D180-R185 IonicContact OD1-NH2 2.74Å; D180-R185 PolarHBondContact OD1-NH2 3.03Å; D180-R185 IonicContact OD2-CZ 3.56Å; D180-R185 IonicContact OD2-NE 2.64Å; D180-R185 IonicContact OD2-NH2 3.74Å; D180-R185 PolarHBondContact OD2-NH2 3.12Å; T181-R185 PolarHBondContact O-N 3.37Å; P182-R185 CarbonylContact O-C 3.59Å; P182-R185 WeakPolarHBondContact O-CA 3.31Å; P182-R185 WeakPolarHBondContact O-CB 3.41Å; P182-R185 PolarHBondContact O-N 3.23Å; R185-R187 VanDerWaalsContact C-N 3.35Å; R185-R187 PolarHBondContact O-N 3.39Å; R185-I188 WeakPolarHBondContact O-CB 3.44Å; R185-I188 PolarHBondContact O-N 3.11Å; R185-I188 VanDerWaalsContact O-N 3.14Å; R185-Q189 WeakPolarHBondContact O-CG 3.41Å; R185-Q189 PolarHBondContact O-N 3.38Å
186D95.8Very high96.2Very high102 Ų10260.5 Ų60.555%0.54533%0.326SS..Hα-helixtrans-60.1-43.6175.3-60.3-24.2000111.5P182 L184 I188 Q189 A190P182-D186 PolarHBondContact O-N 3.08Å; L184-D186 VanDerWaalsContact C-N 3.32Å; L184-D186 PolarHBondContact O-N 3.33Å; D186-I188 VanDerWaalsContact C-N 3.3Å; D186-I188 PolarHBondContact O-N 3.39Å; D186-Q189 PolarHBondContact O-N 3.1Å; D186-A190 WeakPolarHBondContact O-CB 3.46Å; D186-A190 PolarHBondContact O-N 3.31Å
187R94.3Very high96Very high52 Ų5260.5 Ų60.520%0.19633%0.327CS..Hα-helixtrans-63-35.3175.6-77.2-170-57.7-86.90.5113.2S183 L184 R185 Q191S183-R187 WeakPolarHBondContact O-CG 3.4Å; S183-R187 PolarHBondContact O-N 3.15Å; S183-R187 VanDerWaalsContact O-N 3.13Å; S183-R187 PolarHBondContact O-NH1 3.08Å; S183-R187 PolarHBondContact OG-NH1 3.38Å; L184-R187 VanDerWaalsContact CA-NH2 3.33Å; L184-R187 WeakPolarHBondContact O-CB 3.5Å; L184-R187 PolarHBondContact O-N 2.98Å; R185-R187 VanDerWaalsContact C-N 3.35Å; R185-R187 PolarHBondContact O-N 3.39Å; R187-Q191 WeakPolarHBondContact O-CG 3.16Å
188I95.7Very high96Very high9 Ų965.5 Ų65.55%0.04634%0.343CS..Hα-helixtrans-68-46.8175.9-69.2173.7000109.6L184 R185 D186 A190 Q191 P194 A197 Y198 F201L184-I188 HydrophobicContact CD1-CD1 4.36Å; L184-I188 HydrophobicContact CG-CD1 4.08Å; L184-I188 WeakPolarHBondContact O-CG1 3.33Å; L184-I188 PolarHBondContact O-N 2.96Å; R185-I188 WeakPolarHBondContact O-CB 3.44Å; R185-I188 PolarHBondContact O-N 3.11Å; R185-I188 VanDerWaalsContact O-N 3.14Å; D186-I188 VanDerWaalsContact C-N 3.3Å; D186-I188 PolarHBondContact O-N 3.39Å; I188-A190 VanDerWaalsContact C-N 3.27Å; I188-A190 PolarHBondContact O-N 3.3Å; I188-Q191 WeakPolarHBondContact O-CB 3.37Å; I188-Q191 PolarHBondContact O-N 2.76Å; I188-Q191 VanDerWaalsContact O-N 3.16Å; I188-P194 HydrophobicContact CG2-CB 4.2Å; I188-P194 VanDerWaalsContact CG2-O 3.25Å; I188-P194 WeakPolarHBondContact CG2-O 3.35Å; I188-P194 WeakPolarHBondContact O-CA 3.45Å; I188-A197 HydrophobicContact CG2-CB 4.27Å; I188-Y198 HydrophobicContact CD1-CD2 3.93Å; I188-F201 HydrophobicContact CD1-CD2 3.82Å; I188-F201 HydrophobicContact CD1-CE2 4.29Å; I188-F201 HydrophobicContact CG1-CD2 3.61Å; I188-F201 HydrophobicContact CG1-CE2 3.63Å
189Q96.5Very high95.9Very high136 Ų13670.5 Ų70.564%0.63636%0.364SS*.Hα-helixtrans-66.8-27179.4-66.3-56.9-29.400113.6R185 D186 Q191R185-Q189 WeakPolarHBondContact O-CG 3.41Å; R185-Q189 PolarHBondContact O-N 3.38Å; D186-Q189 PolarHBondContact O-N 3.1Å; Q189-Q191 PolarHBondContact O-N 3.33Å
190A93.6Very high95.7Very high79 Ų7973.8 Ų73.865%0.65338%0.381SS*.THydrogen-bonded Turntrans-75.2-7.9175.700000114D186 I188D186-A190 WeakPolarHBondContact O-CB 3.46Å; D186-A190 PolarHBondContact O-N 3.31Å; I188-A190 VanDerWaalsContact C-N 3.27Å; I188-A190 PolarHBondContact O-N 3.3Å
191Q93Very high95.5Very high60 Ų6071.8 Ų71.828%0.2837%0.37SS..SBendtrans-79.4151.9176.8-65-57.7-5500111.5R187 I188 Q189 D193 P194 A197R187-Q191 WeakPolarHBondContact O-CG 3.16Å; I188-Q191 WeakPolarHBondContact O-CB 3.37Å; I188-Q191 PolarHBondContact O-N 2.76Å; I188-Q191 VanDerWaalsContact O-N 3.16Å; Q189-Q191 PolarHBondContact O-N 3.33Å; Q191-D193 PolarHBondContact O-N 3.05Å; Q191-P194 WeakPolarHBondContact O-CD 3.25Å; Q191-A197 HydrophobicContact CB-CB 3.81Å; Q191-A197 HydrophobicContact CG-CB 3.61Å
192P94.6Very high95.3Very high136 Ų13673 Ų7388%0.88338%0.375SS*.SBendtrans-57.1-32.3173.9-25.334.6000113.6
193D96.2Very high95.2Very high83 Ų8374.8 Ų74.844%0.44439%0.394SS..  trans-126.992174.2-175-17.6000110Q191 E195 Q196 A197Q191-D193 PolarHBondContact O-N 3.05Å; D193-E195 VanDerWaalsContact C-N 3.29Å; D193-E195 PolarHBondContact O-N 3.46Å; D193-E195 PolarHBondContact OD1-N 2.97Å; D193-E195 VanDerWaalsContact OD1-N 3.15Å; D193-Q196 HydrophobicContact CB-CB 4.03Å; D193-Q196 VanDerWaalsContact CG-CB 3.4Å; D193-Q196 PolarHBondContact O-N 2.94Å; D193-Q196 PolarHBondContact OD1-N 3.16Å; D193-Q196 WeakPolarHBondContact OD2-CB 3.5Å; D193-A197 WeakPolarHBondContact O-CB 3.45Å; D193-A197 PolarHBondContact O-N 3.42Å
194P96.1Very high95.1Very high37 Ų3775 Ų7524%0.2439%0.388CS..Hα-helixtrans-63-30.9179.8-26.336.4000114I188 Q191 Y198I188-P194 HydrophobicContact CG2-CB 4.2Å; I188-P194 VanDerWaalsContact CG2-O 3.25Å; I188-P194 WeakPolarHBondContact CG2-O 3.35Å; I188-P194 WeakPolarHBondContact O-CA 3.45Å; Q191-P194 WeakPolarHBondContact O-CD 3.25Å; P194-Y198 WeakPolarHBondContact O-CB 3.45Å; P194-Y198 PolarHBondContact O-N 3.22Å
195E96.5Very high95Very high143 Ų14375.3 Ų75.367%0.66839%0.389SS*.Hα-helixtrans-69.7-45.6178.8-70-169.4-178.900110.9D193 Y198 K199D193-E195 VanDerWaalsContact C-N 3.29Å; D193-E195 PolarHBondContact O-N 3.46Å; D193-E195 PolarHBondContact OD1-N 2.97Å; D193-E195 VanDerWaalsContact OD1-N 3.15Å; E195-Y198 PolarHBondContact O-N 3.4Å; E195-K199 WeakPolarHBondContact O-CG 3.35Å; E195-K199 PolarHBondContact O-N 2.91Å; E195-K199 VanDerWaalsContact O-N 3.08Å
196Q96.4Very high94.9Very high79 Ų7975.8 Ų75.837%0.36940%0.395SS..Hα-helixtrans-65.4-41.7175.2-172.956.746.800111.2D193 Y198 K199 D200D193-Q196 HydrophobicContact CB-CB 4.03Å; D193-Q196 VanDerWaalsContact CG-CB 3.4Å; D193-Q196 PolarHBondContact O-N 2.94Å; D193-Q196 PolarHBondContact OD1-N 3.16Å; D193-Q196 WeakPolarHBondContact OD2-CB 3.5Å; Q196-Y198 VanDerWaalsContact C-N 3.29Å; Q196-Y198 PolarHBondContact O-N 3.16Å; Q196-K199 WeakPolarHBondContact O-CB 3.45Å; Q196-K199 PolarHBondContact O-N 3.28Å; Q196-K199 VanDerWaalsContact O-N 3.08Å; Q196-D200 PolarHBondContact NE2-OD1 2.95Å; Q196-D200 VanDerWaalsContact O-CG 3.27Å; Q196-D200 PolarHBondContact O-N 3.46Å
197A94.8Very high94.9Very high9 Ų974.9 Ų74.97%0.07439%0.393CS..Hα-helixtrans-58.2-41.5175.700000112.3I188 Q191 D193 D200 F201I188-A197 HydrophobicContact CG2-CB 4.27Å; Q191-A197 HydrophobicContact CB-CB 3.81Å; Q191-A197 HydrophobicContact CG-CB 3.61Å; D193-A197 WeakPolarHBondContact O-CB 3.45Å; D193-A197 PolarHBondContact O-N 3.42Å; A197-D200 PolarHBondContact O-N 3.38Å; A197-F201 WeakPolarHBondContact O-CD2 3.38Å; A197-F201 PolarHBondContact O-N 3.39Å; A197-F201 VanDerWaalsContact O-N 3.11Å
198Y95.4Very high95Very high117 Ų11774.9 Ų74.946%0.45941%0.41SS..Hα-helixtrans-62.1-45.6173.9-179.1-97.2000111.8I188 P194 E195 Q196 D200 F201 M202 L210I188-Y198 HydrophobicContact CD1-CD2 3.93Å; P194-Y198 WeakPolarHBondContact O-CB 3.45Å; P194-Y198 PolarHBondContact O-N 3.22Å; E195-Y198 PolarHBondContact O-N 3.4Å; Q196-Y198 VanDerWaalsContact C-N 3.29Å; Q196-Y198 PolarHBondContact O-N 3.16Å; Y198-D200 VanDerWaalsContact C-N 3.29Å; Y198-D200 PolarHBondContact O-N 3.36Å; Y198-F201 PolarHBondContact O-N 3.46Å; Y198-M202 HydrophobicContact CD1-CG 4.02Å; Y198-M202 HydrophobicContact CE1-CG 3.56Å; Y198-M202 HydrophobicContact CE1-SD 4.36Å; Y198-M202 HydrophobicContact CE2-CG 4.3Å; Y198-M202 WeakPolarHBondContact O-CG 3.37Å; Y198-M202 PolarHBondContact O-N 3.09Å; Y198-L210 HydrophobicContact CE2-CD1 4.49Å
199K95.4Very high95Very high113 Ų11380.3 Ų80.349%0.49143%0.429SS..Hα-helixtrans-58.4-40.8175.5-69.4170-170.8162.40111.7E195 Q196 F201 M202 A203E195-K199 WeakPolarHBondContact O-CG 3.35Å; E195-K199 PolarHBondContact O-N 2.91Å; E195-K199 VanDerWaalsContact O-N 3.08Å; Q196-K199 WeakPolarHBondContact O-CB 3.45Å; Q196-K199 PolarHBondContact O-N 3.28Å; Q196-K199 VanDerWaalsContact O-N 3.08Å; K199-F201 PolarHBondContact O-N 3.4Å; K199-M202 PolarHBondContact O-N 2.78Å; K199-A203 WeakPolarHBondContact O-CB 3.46Å; K199-A203 PolarHBondContact O-N 3.07Å
200D94.3Very high95.1Very high82 Ų8274.9 Ų74.944%0.43940%0.404SS..Hα-helixtrans-67.2-34.5179.2-65.7-15000112.9Q196 A197 Y198 R204Q196-D200 PolarHBondContact NE2-OD1 2.95Å; Q196-D200 VanDerWaalsContact O-CG 3.27Å; Q196-D200 PolarHBondContact O-N 3.46Å; A197-D200 PolarHBondContact O-N 3.38Å; Y198-D200 VanDerWaalsContact C-N 3.29Å; Y198-D200 PolarHBondContact O-N 3.36Å; D200-R204 PolarHBondContact O-NE 2.7Å
201F93.5Very high95.3Very high16 Ų1671.8 Ų71.87%0.0738%0.378CS..Hα-helixtrans-70-41.9171.3-80-67.2000111.8T178 L184 I188 A197 Y198 K199 A203 R204T178-F201 HydrophobicContact CG2-CB 4.36Å; T178-F201 HydrophobicContact CG2-CD1 3.95Å; T178-F201 HydrophobicContact CG2-CG 4.45Å; L184-F201 HydrophobicContact CD1-CD1 3.94Å; L184-F201 HydrophobicContact CD1-CD2 4.07Å; L184-F201 HydrophobicContact CD1-CE1 3.72Å; L184-F201 HydrophobicContact CD1-CE2 3.86Å; L184-F201 HydrophobicContact CD1-CG 4.12Å; L184-F201 HydrophobicContact CD1-CZ 3.68Å; I188-F201 HydrophobicContact CD1-CD2 3.82Å; I188-F201 HydrophobicContact CD1-CE2 4.29Å; I188-F201 HydrophobicContact CG1-CD2 3.61Å; I188-F201 HydrophobicContact CG1-CE2 3.63Å; A197-F201 WeakPolarHBondContact O-CD2 3.38Å; A197-F201 PolarHBondContact O-N 3.39Å; A197-F201 VanDerWaalsContact O-N 3.11Å; Y198-F201 PolarHBondContact O-N 3.46Å; K199-F201 PolarHBondContact O-N 3.4Å; F201-A203 VanDerWaalsContact C-N 3.34Å; F201-R204 VanDerWaalsContact CE1-NH1 3.33Å; F201-R204 WeakPolarHBondContact O-CB 3.49Å; F201-R204 PolarHBondContact O-N 3.4Å
202M95.3Very high95.5Very high42 Ų4271.5 Ų71.521%0.20738%0.381CS..Hα-helixtrans-64.9-36.8177.2-73.5-63.2-65.100112.5Y198 K199 R204 Q205 G208 L210Y198-M202 HydrophobicContact CD1-CG 4.02Å; Y198-M202 HydrophobicContact CE1-CG 3.56Å; Y198-M202 HydrophobicContact CE1-SD 4.36Å; Y198-M202 HydrophobicContact CE2-CG 4.3Å; Y198-M202 WeakPolarHBondContact O-CG 3.37Å; Y198-M202 PolarHBondContact O-N 3.09Å; K199-M202 PolarHBondContact O-N 2.78Å; M202-R204 PolarHBondContact O-N 3.4Å; M202-R204 VanDerWaalsContact O-N 3.12Å; M202-Q205 WeakPolarHBondContact O-CA 3.42Å; M202-Q205 PolarHBondContact O-N 3.48Å; M202-G208 VanDerWaalsContact CE-C 3.49Å; M202-G208 WeakPolarHBondContact CE-O 3.37Å; M202-L210 HydrophobicContact SD-CD2 3.66Å; M202-L210 HydrophobicContact SD-CG 3.85Å
203A93.6Very high95.7Very high84 Ų8465.4 Ų65.469%0.69434%0.341SS*.Hα-helixtrans-60.5-22.9178.200000113.2K199 F201 Q205K199-A203 WeakPolarHBondContact O-CB 3.46Å; K199-A203 PolarHBondContact O-N 3.07Å; F201-A203 VanDerWaalsContact C-N 3.34Å; A203-Q205 VanDerWaalsContact C-N 3.28Å
204R91.9Very high95.9Very high49 Ų4966.4 Ų66.419%0.18534%0.344CS..THydrogen-bonded Turntrans-72.3-22.7173.3-60164.5-165.4-159.7-1.9112.5D200 F201 M202 W242D200-R204 PolarHBondContact O-NE 2.7Å; F201-R204 VanDerWaalsContact CE1-NH1 3.33Å; F201-R204 WeakPolarHBondContact O-CB 3.49Å; F201-R204 PolarHBondContact O-N 3.4Å; M202-R204 PolarHBondContact O-N 3.4Å; M202-R204 VanDerWaalsContact O-N 3.12Å; R204-W242 HydrophobicContact CB-CD2 4.04Å; R204-W242 HydrophobicContact CB-CG 4.17Å; R204-W242 HydrophobicContact CB-CZ2 4.36Å; R204-W242 HydrophobicContact CG-CZ2 4.01Å
205Q95.6Very high96Very high8 Ų867.5 Ų67.54%0.03735%0.345CS..  trans-104.691-171-49.8-54.3-67.700110T178 M202 A203 T207 G208 R209 L210 D239T178-Q205 PolarHBondContact OG1-NE2 2.98Å; M202-Q205 WeakPolarHBondContact O-CA 3.42Å; M202-Q205 PolarHBondContact O-N 3.48Å; A203-Q205 VanDerWaalsContact C-N 3.28Å; Q205-T207 PolarHBondContact O-N 3.18Å; Q205-G208 PolarHBondContact O-N 2.89Å; Q205-R209 VanDerWaalsContact CB-O 3.3Å; Q205-R209 WeakPolarHBondContact CB-O 3.3Å; Q205-L210 HydrophobicContact CG-CD2 3.92Å; Q205-D239 PolarHBondContact OE1-O 3.02Å
206K94.3Very high96.1Very high155 Ų15560.7 Ų60.767%0.67431%0.313SS*.THydrogen-bonded Turntrans-59-21.5-179.7-65.3174.6-176.2167.10113.4G208 L244K206-G208 PolarHBondContact O-N 3.36Å; K206-L244 PolarHBondContact NZ-OXT 3.44Å
207T95.7Very high96.2Very high84 Ų8457 Ų5752%0.51530%0.296SS..THydrogen-bonded Turntrans-73.7-9.3173.957.30000113.9Q205Q205-T207 PolarHBondContact O-N 3.18Å
208G95.9Very high96.4Very high52 Ų5262.2 Ų62.254%0.53632%0.319SS..SBendtrans76.917178.900000114.7M202 Q205 K206M202-G208 VanDerWaalsContact CE-C 3.49Å; M202-G208 WeakPolarHBondContact CE-O 3.37Å; Q205-G208 PolarHBondContact O-N 2.89Å; K206-G208 PolarHBondContact O-N 3.36Å
209R97.2Very high96.6Very high123 Ų12358.2 Ų58.246%0.46431%0.306SS..SBendtrans-148.6158.2176.168.4176.5-173.887.5-7.8112.7Q205 E215Q205-R209 VanDerWaalsContact CB-O 3.3Å; Q205-R209 WeakPolarHBondContact CB-O 3.3Å; R209-E215 IonicContact CZ-OE1 2.78Å; R209-E215 VanDerWaalsContact CZ-OE1 3.32Å; R209-E215 IonicContact CZ-OE2 3.3Å; R209-E215 IonicContact NH1-OE1 2.68Å; R209-E215 PolarHBondContact NH1-OE1 2.96Å; R209-E215 VanDerWaalsContact NH1-OE1 3.12Å; R209-E215 IonicContact NH1-OE2 3.93Å; R209-E215 PolarHBondContact NH1-OE2 2.77Å; R209-E215 IonicContact NH2-OE1 3.81Å; R209-E215 PolarHBondContact NH2-OE1 2.82Å; R209-E215 IonicContact NH2-OE2 2.87Å
210L97.1Very high96.7Very high21 Ų2152.9 Ų52.911%0.1128%0.282CS..PPolyproline II helixtrans-80.2153167-53.3-174.7000110.3T178 D180 L184 Y198 M202 Q205T178-L210 HydrophobicContact CG2-CD2 3.66Å; D180-L210 HydrophobicContact CB-CB 4.06Å; D180-L210 HydrophobicContact CB-CD1 3.99Å; L184-L210 HydrophobicContact CD2-CD1 3.72Å; Y198-L210 HydrophobicContact CE2-CD1 4.49Å; M202-L210 HydrophobicContact SD-CD2 3.66Å; M202-L210 HydrophobicContact SD-CG 3.85Å; Q205-L210 HydrophobicContact CG-CD2 3.92Å
211C97.9Very high97Very high14 Ų1449 Ų4910%0.09526%0.262CS..EExtended strand (participates in β ladder)trans-71.7142.9168.3-176.30000109.5T178 V179 D180 E215T178-C211 PolarHBondContact O-N 3.47Å; V179-C211 CarbonylContact C-O 3.57Å; V179-C211 VanDerWaalsContact CA-O 3.3Å; V179-C211 WeakPolarHBondContact CA-O 3.41Å; V179-C211 WeakPolarHBondContact CG1-O 3.43Å; V179-C211 HydrophobicContact CG2-CB 4.3Å; D180-C211 PolarHBondContact N-O 3.31Å; C211-E215 VanDerWaalsContact CA-OE2 3.32Å; C211-E215 WeakPolarHBondContact CA-OE2 3.38Å; C211-E215 PolarHBondContact SG-OE2 3.23Å; C211-E215 VanDerWaalsContact SG-OE2 3.42Å
212T98.7Very high97.2Very high55 Ų5552.1 Ų52.134%0.33727%0.274SS..EExtended strand (participates in β ladder)trans-86.2158.6173.183.80000111.2E214 E215 V216T212-E214 VanDerWaalsContact CB-OE2 3.3Å; T212-E214 WeakPolarHBondContact CB-OE2 3.42Å; T212-E214 PolarHBondContact O-N 2.96Å; T212-E214 PolarHBondContact OG1-N 3.3Å; T212-E214 PolarHBondContact OG1-OE2 3.01Å; T212-E215 PolarHBondContact N-OE2 3.36Å; T212-E215 PolarHBondContact O-N 3.22Å; T212-E215 PolarHBondContact OG1-N 2.71Å; T212-V216 PolarHBondContact O-N 3.07Å
213A98.8Very high97.4Very high7 Ų750.1 Ų50.16%0.05826%0.264CS..Hα-helixtrans-61.1-33.2174.400000111.8A21 V216 A217A21-A213 HydrophobicContact CB-CB 3.69Å; A21-A213 WeakPolarHBondContact CB-O 3.47Å; A213-V216 PolarHBondContact O-N 3.06Å; A213-A217 WeakPolarHBondContact O-CB 3.4Å; A213-A217 PolarHBondContact O-N 3.31Å
214E98.8Very high97.7Very high105 Ų10546.2 Ų46.249%0.49123%0.231SC..Hα-helixtrans-67.2-38.2177.5-62.371.6-157.100112.3T212 V216 A217 H218T212-E214 VanDerWaalsContact CB-OE2 3.3Å; T212-E214 WeakPolarHBondContact CB-OE2 3.42Å; T212-E214 PolarHBondContact O-N 2.96Å; T212-E214 PolarHBondContact OG1-N 3.3Å; T212-E214 PolarHBondContact OG1-OE2 3.01Å; E214-V216 VanDerWaalsContact C-N 3.32Å; E214-V216 PolarHBondContact O-N 3.46Å; E214-A217 WeakPolarHBondContact O-CB 3.32Å; E214-A217 PolarHBondContact O-N 3.04Å; E214-A217 VanDerWaalsContact O-N 3.16Å; E214-H218 VanDerWaalsContact O-CG 3.32Å; E214-H218 PolarHBondContact O-N 3.4Å; E214-H218 PolarHBondContact O-ND1 2.64Å
215E98.8Very high98Very high59 Ų5943.9 Ų43.928%0.27622%0.222SC..Hα-helixtrans-61.9-41.6174.7-72.2179120.200111.5R209 C211 T212 H218 L219R209-E215 IonicContact CZ-OE1 2.78Å; R209-E215 VanDerWaalsContact CZ-OE1 3.32Å; R209-E215 IonicContact CZ-OE2 3.3Å; R209-E215 IonicContact NH1-OE1 2.68Å; R209-E215 PolarHBondContact NH1-OE1 2.96Å; R209-E215 VanDerWaalsContact NH1-OE1 3.12Å; R209-E215 IonicContact NH1-OE2 3.93Å; R209-E215 PolarHBondContact NH1-OE2 2.77Å; R209-E215 IonicContact NH2-OE1 3.81Å; R209-E215 PolarHBondContact NH2-OE1 2.82Å; R209-E215 IonicContact NH2-OE2 2.87Å; C211-E215 VanDerWaalsContact CA-OE2 3.32Å; C211-E215 WeakPolarHBondContact CA-OE2 3.38Å; C211-E215 PolarHBondContact SG-OE2 3.23Å; C211-E215 VanDerWaalsContact SG-OE2 3.42Å; T212-E215 PolarHBondContact N-OE2 3.36Å; T212-E215 PolarHBondContact O-N 3.22Å; T212-E215 PolarHBondContact OG1-N 2.71Å; E215-H218 PolarHBondContact O-N 2.92Å; E215-L219 PolarHBondContact O-N 3.45Å
216V98.9Very high98.1Very high0 Ų048.4 Ų48.40%025%0.247CC..Hα-helixtrans-65.4-41.3172.8-174.60000110.8I18 V174 P176 V179 T212 A213 E214 H218 L219 C220 I238I18-V216 HydrophobicContact CD1-CG1 4.25Å; I18-V216 HydrophobicContact CD1-CG2 4.37Å; I18-V216 HydrophobicContact CG1-CB 4.31Å; I18-V216 HydrophobicContact CG1-CG1 4.35Å; I18-V216 HydrophobicContact CG1-CG2 4.42Å; I18-V216 HydrophobicContact CG2-CB 4.18Å; I18-V216 HydrophobicContact CG2-CG1 3.66Å; V174-V216 HydrophobicContact CG1-CG1 4.12Å; P176-V216 HydrophobicContact CG-CG1 4.4Å; V179-V216 HydrophobicContact CG1-CG2 4.14Å; V179-V216 HydrophobicContact CG2-CG2 3.9Å; T212-V216 PolarHBondContact O-N 3.07Å; A213-V216 PolarHBondContact O-N 3.06Å; E214-V216 VanDerWaalsContact C-N 3.32Å; E214-V216 PolarHBondContact O-N 3.46Å; V216-H218 VanDerWaalsContact C-N 3.32Å; V216-H218 PolarHBondContact O-N 3.05Å; V216-L219 WeakPolarHBondContact O-CB 3.14Å; V216-L219 PolarHBondContact O-N 3.24Å; V216-C220 PolarHBondContact O-N 3.47Å; V216-C220 PolarHBondContact O-SG 3.3Å; V216-I238 HydrophobicContact CG2-CD1 4.43Å; V216-I238 HydrophobicContact CG2-CG2 4.49Å
217A98.8Very high98.3Very high1 Ų146.2 Ų46.21%0.00824%0.239CC..Hα-helixtrans-60.6-3817800000112.7A21 A22 A25 A213 E214 L219 C220 V221A21-A217 HydrophobicContact CB-CB 3.92Å; A22-A217 HydrophobicContact CB-CB 4.35Å; A25-A217 HydrophobicContact CB-CB 3.98Å; A213-A217 WeakPolarHBondContact O-CB 3.4Å; A213-A217 PolarHBondContact O-N 3.31Å; E214-A217 WeakPolarHBondContact O-CB 3.32Å; E214-A217 PolarHBondContact O-N 3.04Å; E214-A217 VanDerWaalsContact O-N 3.16Å; A217-L219 VanDerWaalsContact C-N 3.34Å; A217-L219 PolarHBondContact O-N 2.82Å; A217-C220 CarbonylContact O-C 3.59Å; A217-C220 WeakPolarHBondContact O-CA 3.39Å; A217-C220 WeakPolarHBondContact O-CB 3.16Å; A217-C220 PolarHBondContact O-N 2.88Å; A217-C220 VanDerWaalsContact O-N 3.12Å; A217-V221 WeakPolarHBondContact O-CG2 3.44Å; A217-V221 PolarHBondContact O-N 3.26Å
218H98.9Very high98.5Very high119 Ų11942.2 Ų42.255%0.55121%0.214SC*.Hα-helixtrans-62.9-39175.7-65.4153000112.7E214 E215 V216 C220 V221 Y222E214-H218 VanDerWaalsContact O-CG 3.32Å; E214-H218 PolarHBondContact O-N 3.4Å; E214-H218 PolarHBondContact O-ND1 2.64Å; E215-H218 PolarHBondContact O-N 2.92Å; V216-H218 VanDerWaalsContact C-N 3.32Å; V216-H218 PolarHBondContact O-N 3.05Å; H218-C220 VanDerWaalsContact C-N 3.34Å; H218-V221 PolarHBondContact O-N 3.33Å; H218-Y222 PolarHBondContact O-N 3.06Å; H218-Y222 VanDerWaalsContact O-N 3.13Å
219L98.9Very high98.6Very high34 Ų3442.6 Ų42.618%0.17821%0.212CC..Hα-helixtrans-63.3-42.4171.6173.861.3000110.8V174 E215 V216 A217 V221 Y222 L223 H236 I238V174-L219 HydrophobicContact CG1-CD2 3.8Å; V174-L219 HydrophobicContact CG2-CD2 4.41Å; E215-L219 PolarHBondContact O-N 3.45Å; V216-L219 WeakPolarHBondContact O-CB 3.14Å; V216-L219 PolarHBondContact O-N 3.24Å; A217-L219 VanDerWaalsContact C-N 3.34Å; A217-L219 PolarHBondContact O-N 2.82Å; L219-V221 VanDerWaalsContact C-N 3.32Å; L219-V221 PolarHBondContact O-N 3.26Å; L219-Y222 HydrophobicContact CD1-CD1 4.26Å; L219-Y222 WeakPolarHBondContact O-CB 3.38Å; L219-Y222 PolarHBondContact O-N 3.31Å; L219-L223 HydrophobicContact CD1-CD1 4.3Å; L219-L223 HydrophobicContact CD1-CG 4.24Å; L219-L223 HydrophobicContact CG-CD1 4.21Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 2.94Å; L219-H236 HydrophobicContact CD1-CB 4.42Å; L219-H236 HydrophobicContact CD2-CB 4.03Å; L219-I238 HydrophobicContact CB-CD1 4.48Å; L219-I238 HydrophobicContact CD2-CB 4.07Å; L219-I238 HydrophobicContact CD2-CD1 4.38Å; L219-I238 HydrophobicContact CD2-CG2 3.91Å
220C98.9Very high98.7Very high0 Ų047.9 Ų47.90%023%0.234CC..Hα-helixtrans-61.9-38.1175.9-62.80000112.3F26 F79 V216 A217 H218 L223 A224F26-C220 HydrophobicContact CE1-CB 3.98Å; F26-C220 HydrophobicContact CZ-CB 3.85Å; F79-C220 HydrophobicContact CE1-CB 4.23Å; F79-C220 HydrophobicContact CZ-CB 4.37Å; F79-C220 WeakPolarHBondContact CZ-SG 3.4Å; V216-C220 PolarHBondContact O-N 3.47Å; V216-C220 PolarHBondContact O-SG 3.3Å; A217-C220 CarbonylContact O-C 3.59Å; A217-C220 WeakPolarHBondContact O-CA 3.39Å; A217-C220 WeakPolarHBondContact O-CB 3.16Å; A217-C220 PolarHBondContact O-N 2.88Å; A217-C220 VanDerWaalsContact O-N 3.12Å; H218-C220 VanDerWaalsContact C-N 3.34Å; C220-L223 PolarHBondContact O-N 2.67Å; C220-A224 WeakPolarHBondContact O-CB 3.44Å; C220-A224 PolarHBondContact O-N 3.43Å
221V98.9Very high98.8Very high1 Ų148.2 Ų48.21%0.00624%0.237CC..Hα-helixtrans-60.1-48174.1171.70000110.5R3 L4 A25 F26 E29 A217 H218 L219 L223 A224 S225R3-V221 VanDerWaalsContact NH1-CG1 3.26Å; L4-V221 HydrophobicContact CD1-CB 4.5Å; L4-V221 HydrophobicContact CD1-CG1 4.05Å; L4-V221 HydrophobicContact CD1-CG2 4.36Å; L4-V221 HydrophobicContact CG-CG1 4.29Å; A25-V221 HydrophobicContact CB-CG2 3.83Å; F26-V221 HydrophobicContact CD1-CG2 3.86Å; F26-V221 HydrophobicContact CE1-CG2 4.14Å; E29-V221 HydrophobicContact CG-CG1 3.91Å; E29-V221 HydrophobicContact CG-CG2 4.44Å; A217-V221 WeakPolarHBondContact O-CG2 3.44Å; A217-V221 PolarHBondContact O-N 3.26Å; H218-V221 PolarHBondContact O-N 3.33Å; L219-V221 VanDerWaalsContact C-N 3.32Å; L219-V221 PolarHBondContact O-N 3.26Å; V221-L223 PolarHBondContact O-N 3.33Å; V221-A224 PolarHBondContact O-N 2.89Å; V221-S225 WeakPolarHBondContact O-CB 3.25Å; V221-S225 PolarHBondContact O-N 3.24Å
222Y98.9Very high98.8Very high82 Ų8249.5 Ų49.532%0.32224%0.244SC..Hα-helixtrans-55.6-50.8175.6165.2-107.6000111.3H218 L219 A224 S225 E227 S228H218-Y222 PolarHBondContact O-N 3.06Å; H218-Y222 VanDerWaalsContact O-N 3.13Å; L219-Y222 HydrophobicContact CD1-CD1 4.26Å; L219-Y222 WeakPolarHBondContact O-CB 3.38Å; L219-Y222 PolarHBondContact O-N 3.31Å; Y222-A224 VanDerWaalsContact C-N 3.3Å; Y222-A224 PolarHBondContact O-N 3.46Å; Y222-S225 PolarHBondContact O-N 2.87Å; Y222-S225 PolarHBondContact O-OG 2.78Å; Y222-E227 HydrophobicContact CD2-CB 4.25Å; Y222-E227 HydrophobicContact CE2-CB 4.27Å; Y222-S228 WeakPolarHBondContact O-CB 3.38Å; Y222-S228 PolarHBondContact O-OG 2.93Å
223L98.9Very high98.8Very high0 Ų047.9 Ų47.90%024%0.238CC..Hα-helixtrans-65.3-31.9-178.8-65.9177.7000113.6N127 I129 R170 V174 L219 C220 V221 S228 V231 H236N127-L223 PolarHBondContact ND2-O 3.4Å; I129-L223 HydrophobicContact CD1-CB 3.81Å; I129-L223 HydrophobicContact CG1-CB 4.35Å; I129-L223 HydrophobicContact CG2-CD1 4.43Å; R170-L223 PolarHBondContact NH2-O 2.74Å; V174-L223 HydrophobicContact CG2-CD1 3.65Å; L219-L223 HydrophobicContact CD1-CD1 4.3Å; L219-L223 HydrophobicContact CD1-CG 4.24Å; L219-L223 HydrophobicContact CG-CD1 4.21Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 2.94Å; C220-L223 PolarHBondContact O-N 2.67Å; V221-L223 PolarHBondContact O-N 3.33Å; L223-S228 WeakPolarHBondContact CA-OG 3.42Å; L223-S228 PolarHBondContact O-OG 3.22Å; L223-S228 VanDerWaalsContact O-OG 3.1Å; L223-V231 HydrophobicContact CD2-CG1 4.4Å; L223-H236 HydrophobicContact CD1-CB 4.35Å; L223-H236 VanDerWaalsContact CD2-NE2 3.33Å; L223-H236 WeakPolarHBondContact CD2-NE2 3.35Å
224A98.9Very high98.8Very high1 Ų150 Ų501%0.00825%0.25CS..Hα-helixtrans-74-27.2177.700000112.6L4 I9 F26 V77 N127 I129 C220 V221 Y222L4-A224 HydrophobicContact CD1-CB 4.29Å; L4-A224 HydrophobicContact CD2-CB 3.77Å; I9-A224 HydrophobicContact CD1-CB 4.31Å; F26-A224 HydrophobicContact CE1-CB 3.89Å; F26-A224 HydrophobicContact CZ-CB 4.36Å; V77-A224 HydrophobicContact CG1-CB 4.22Å; V77-A224 HydrophobicContact CG2-CB 4.23Å; N127-A224 WeakPolarHBondContact ND2-CA 3.49Å; I129-A224 HydrophobicContact CD1-CB 4.1Å; C220-A224 WeakPolarHBondContact O-CB 3.44Å; C220-A224 PolarHBondContact O-N 3.43Å; V221-A224 PolarHBondContact O-N 2.89Å; Y222-A224 VanDerWaalsContact C-N 3.3Å; Y222-A224 PolarHBondContact O-N 3.46Å
225S98.8Very high98.8Very high0 Ų047.9 Ų47.90%024%0.241CC..SBendtrans-79.8166.5-17676.90000113.3R170 V221 Y222 E227 S228R170-S225 PolarHBondContact NH2-O 2.93Å; V221-S225 WeakPolarHBondContact O-CB 3.25Å; V221-S225 PolarHBondContact O-N 3.24Å; Y222-S225 PolarHBondContact O-N 2.87Å; Y222-S225 PolarHBondContact O-OG 2.78Å; S225-E227 PolarHBondContact O-N 3.26Å; S225-E227 VanDerWaalsContact OG-CB 3.26Å; S225-E227 WeakPolarHBondContact OG-CB 3.18Å; S225-E227 WeakPolarHBondContact OG-CG 3.44Å; S225-E227 PolarHBondContact OG-N 3Å; S225-S228 PolarHBondContact O-N 3.24Å; S225-S228 PolarHBondContact O-OG 3.35Å
226D98.6Very high98.8Very high104 Ų10446.8 Ų46.856%0.55624%0.235SC*.G310 helixtrans-74.7-10.4172.1-63.1-36.5000112.3K7 S228 A229K7-D226 WeakPolarHBondContact CE-OD2 3.13Å; K7-D226 IonicContact NZ-OD1 3.45Å; K7-D226 PolarHBondContact NZ-OD1 3.05Å; K7-D226 IonicContact NZ-OD2 3.32Å; K7-D226 PolarHBondContact NZ-OD2 3.34Å; D226-S228 PolarHBondContact O-N 3.11Å; D226-A229 WeakPolarHBondContact O-CB 2.99Å; D226-A229 PolarHBondContact O-N 3.46Å
227E98.8Very high98.8Very high108 Ų10849.2 Ų49.251%0.50525%0.248SC..G310 helixtrans-61-25.5172.3-55.2167.1-177.600111.6R3 Y222 S225R3-E227 WeakPolarHBondContact CG-OE1 3.5Å; R3-E227 IonicContact CZ-OE1 3.78Å; R3-E227 IonicContact CZ-OE2 3.44Å; R3-E227 IonicContact NE-OE1 3.12Å; R3-E227 PolarHBondContact NE-OE1 3.22Å; R3-E227 IonicContact NE-OE2 2.86Å; R3-E227 PolarHBondContact NE-OE2 3.25Å; R3-E227 IonicContact NH2-OE1 3.76Å; R3-E227 IonicContact NH2-OE2 3.7Å; R3-E227 PolarHBondContact NH2-OE2 2.87Å; Y222-E227 HydrophobicContact CD2-CB 4.25Å; Y222-E227 HydrophobicContact CE2-CB 4.27Å; S225-E227 PolarHBondContact O-N 3.26Å; S225-E227 VanDerWaalsContact OG-CB 3.26Å; S225-E227 WeakPolarHBondContact OG-CB 3.18Å; S225-E227 WeakPolarHBondContact OG-CG 3.44Å; S225-E227 PolarHBondContact OG-N 3Å
228S98.7Very high98.8Very high0 Ų051.1 Ų51.10%026%0.257CS..G310 helixtrans-103.622.4176.188.80000112.8R170 Y222 L223 S225 D226 Y230 V231R170-S228 PolarHBondContact NH1-O 2.81Å; R170-S228 VanDerWaalsContact NH1-O 3.08Å; R170-S228 PolarHBondContact NH1-OG 3.01Å; R170-S228 VanDerWaalsContact NH1-OG 3.13Å; R170-S228 PolarHBondContact NH2-OG 3.08Å; Y222-S228 WeakPolarHBondContact O-CB 3.38Å; Y222-S228 PolarHBondContact O-OG 2.93Å; L223-S228 WeakPolarHBondContact CA-OG 3.42Å; L223-S228 PolarHBondContact O-OG 3.22Å; L223-S228 VanDerWaalsContact O-OG 3.1Å; S225-S228 PolarHBondContact O-N 3.24Å; S225-S228 PolarHBondContact O-OG 3.35Å; D226-S228 PolarHBondContact O-N 3.11Å; S228-Y230 PolarHBondContact O-N 3.48Å; S228-V231 WeakPolarHBondContact O-CB 3.41Å; S228-V231 PolarHBondContact O-N 2.96Å
229A98.6Very high98.7Very high60 Ų6046.1 Ų46.150%0.49624%0.235SC..THydrogen-bonded Turntrans-58-23.2-174.200000114.1R170 D226R170-A229 WeakPolarHBondContact CD-O 3.48Å; D226-A229 WeakPolarHBondContact O-CB 2.99Å; D226-A229 PolarHBondContact O-N 3.46Å
230Y98.6Very high98.6Very high235 Ų23546.4 Ų46.492%0.92225%0.246SC*.THydrogen-bonded Turntrans-92.78.4177.3-148.3-115.8000114.2S228S228-Y230 PolarHBondContact O-N 3.48Å
231V98.9Very high98.5Very high28 Ų2847.7 Ų47.717%0.1726%0.26CS..  trans-107.2113.8-177-177.60000110R170 N172 L223 S228 T234 H236R170-V231 WeakPolarHBondContact CD-O 3.29Å; R170-V231 PolarHBondContact NH1-O 2.87Å; N172-V231 PolarHBondContact ND2-O 3.49Å; L223-V231 HydrophobicContact CD2-CG1 4.4Å; S228-V231 WeakPolarHBondContact O-CB 3.41Å; S228-V231 PolarHBondContact O-N 2.96Å; V231-T234 WeakPolarHBondContact CG1-OG1 3.15Å; V231-H236 VanDerWaalsContact CG1-CE1 3.42Å; V231-H236 WeakPolarHBondContact CG1-CE1 3.42Å; V231-H236 WeakPolarHBondContact CG1-NE2 3.37Å
232T98.9Very high98.4Very high41 Ų4150.2 Ų50.225%0.25227%0.269SS..  trans-150149.5174.3-166.70000111.4I165 R170 C171 N172 T234I165-T232 HydrophobicContact CD1-CG2 3.95Å; R170-T232 WeakPolarHBondContact CA-OG1 3.24Å; C171-T232 PolarHBondContact N-OG1 3.19Å; C171-T232 VanDerWaalsContact N-OG1 3.12Å; N172-T232 VanDerWaalsContact OD1-C 3.26Å; N172-T232 WeakPolarHBondContact OD1-CA 3.29Å; T232-T234 VanDerWaalsContact C-N 3.34Å
233G98.6Very high98.1Very high20 Ų2052.6 Ų52.621%0.20628%0.278CS..SBendtrans77.313.8176.100000115.1C171 N172C171-G233 WeakPolarHBondContact O-CA 3.42Å; C171-G233 PolarHBondContact O-N 2.89Å; N172-G233 PolarHBondContact OD1-N 3.31Å
234T98.7Very high97.9Very high51 Ų5161 Ų6131%0.31332%0.322SS..  trans-110.4149-170.649.90000114.5N172 C173 V231 T232 H236N172-T234 PolarHBondContact OD1-N 2.82Å; N172-T234 PolarHBondContact OD1-OG1 2.91Å; C173-T234 PolarHBondContact N-O 3.46Å; C173-T234 VanDerWaalsContact N-O 3.08Å; V231-T234 WeakPolarHBondContact CG1-OG1 3.15Å; T232-T234 VanDerWaalsContact C-N 3.34Å; T234-H236 PolarHBondContact OG1-CE1 2.94Å; T234-H236 PolarHBondContact OG1-NE2 2.75Å
235E98.4Very high97.8Very high62 Ų6264.1 Ų64.129%0.2934%0.337SS..EExtended strand (participates in β ladder)trans-90.8109.1168.4-5293.4153.700111.3I154 K158 I237I154-E235 HydrophobicContact CD1-CG 4.05Å; I154-E235 HydrophobicContact CG1-CG 4.03Å; I154-E235 HydrophobicContact CG2-CG 3.85Å; I154-E235 VanDerWaalsContact CG2-OE1 3.25Å; I154-E235 WeakPolarHBondContact CG2-OE1 3.35Å; K158-E235 WeakPolarHBondContact CE-OE1 3.4Å; K158-E235 IonicContact NZ-OE1 3.94Å; K158-E235 PolarHBondContact NZ-OE1 3.36Å; K158-E235 IonicContact NZ-OE2 3.88Å; E235-I237 HydrophobicContact CB-CD1 4.37Å; E235-I237 PolarHBondContact O-N 3.01Å
236H98.7Very high97.8Very high35 Ų3567.4 Ų67.416%0.16236%0.355CS..EExtended strand (participates in β ladder)trans-88.1102.6178.9-65.4-80.6000111.4C173 C175 L219 L223 V231 T234C173-H236 PolarHBondContact O-N 3.29Å; C175-H236 PolarHBondContact N-O 3.23Å; L219-H236 HydrophobicContact CD1-CB 4.42Å; L219-H236 HydrophobicContact CD2-CB 4.03Å; L223-H236 HydrophobicContact CD1-CB 4.35Å; L223-H236 VanDerWaalsContact CD2-NE2 3.33Å; L223-H236 WeakPolarHBondContact CD2-NE2 3.35Å; V231-H236 VanDerWaalsContact CG1-CE1 3.42Å; V231-H236 WeakPolarHBondContact CG1-CE1 3.42Å; V231-H236 WeakPolarHBondContact CG1-NE2 3.37Å; T234-H236 PolarHBondContact OG1-CE1 2.94Å; T234-H236 PolarHBondContact OG1-NE2 2.75Å
237I98.7Very high97.7Very high52 Ų5265.4 Ų65.427%0.26734%0.344SS..EExtended strand (participates in β ladder)trans-77130.3-179.9-47.3-51.3000111V134 I137 C175 E235 D239V134-I237 HydrophobicContact CG1-CG2 3.99Å; I137-I237 HydrophobicContact CD1-CD1 3.21Å; C175-I237 HydrophobicContact CB-CD1 3.6Å; E235-I237 HydrophobicContact CB-CD1 4.37Å; E235-I237 PolarHBondContact O-N 3.01Å; I237-D239 HydrophobicContact CG2-CB 3.99Å
238I98.4Very high97.7Very high40 Ų4062.9 Ų62.921%0.20534%0.335CS..EExtended strand (participates in β ladder)trans-14078.4172.2-174.8173.1000110V174 C175 P176 G177 V216 L219V174-I238 HydrophobicContact CG1-CG2 3.97Å; C175-I238 PolarHBondContact O-N 3.12Å; C175-I238 VanDerWaalsContact O-N 3.08Å; P176-I238 CarbonylContact C-O 3.57Å; P176-I238 VanDerWaalsContact CA-O 3.3Å; P176-I238 WeakPolarHBondContact CA-O 3.26Å; P176-I238 HydrophobicContact CB-CG2 4.04Å; P176-I238 HydrophobicContact CG-CG2 4.24Å; G177-I238 PolarHBondContact N-O 3.1Å; V216-I238 HydrophobicContact CG2-CD1 4.43Å; V216-I238 HydrophobicContact CG2-CG2 4.49Å; L219-I238 HydrophobicContact CB-CD1 4.48Å; L219-I238 HydrophobicContact CD2-CB 4.07Å; L219-I238 HydrophobicContact CD2-CD1 4.38Å; L219-I238 HydrophobicContact CD2-CG2 3.91Å
239D97.8Very high97.6Very high14 Ų1466.8 Ų66.88%0.07536%0.355CS..SBendtrans-130.58.7-163.976.5-16.6000115.8V134 Q205 I237 G241 W242 R243V134-D239 HydrophobicContact CG1-CB 3.54Å; V134-D239 HydrophobicContact CG2-CB 4.48Å; Q205-D239 PolarHBondContact OE1-O 3.02Å; I237-D239 HydrophobicContact CG2-CB 3.99Å; D239-G241 PolarHBondContact O-N 3.42Å; D239-G241 PolarHBondContact OD1-N 2.99Å; D239-W242 HydrophobicContact CB-CB 4.26Å; D239-W242 WeakPolarHBondContact O-CB 3.48Å; D239-W242 PolarHBondContact O-N 2.67Å; D239-W242 VanDerWaalsContact O-N 3.12Å; D239-W242 PolarHBondContact OD2-N 3.2Å; D239-R243 VanDerWaalsContact OD2-CB 3.31Å; D239-R243 WeakPolarHBondContact OD2-CB 3.48Å; D239-R243 VanDerWaalsContact OD2-CG 3.22Å; D239-R243 WeakPolarHBondContact OD2-CG 3.45Å; D239-R243 PolarHBondContact OD2-N 3.5Å
240G97.4Very high97.5Very high41 Ų4167.3 Ų67.342%0.42335%0.346SS..THydrogen-bonded Turntrans61.723.7-17900000113.9
241G96.7Very high97.5Very high27 Ų2755.3 Ų55.328%0.27831%0.305SS..THydrogen-bonded Turntrans79.717.9-177.800000113.8D239 R243 L244D239-G241 PolarHBondContact O-N 3.42Å; D239-G241 PolarHBondContact OD1-N 2.99Å; G241-R243 VanDerWaalsContact C-N 3.33Å; G241-R243 PolarHBondContact O-N 3.33Å; G241-L244 WeakPolarHBondContact O-CB 3.3Å; G241-L244 PolarHBondContact O-N 3.21Å
242W95.3Very high97.3Very high53 Ų5357.4 Ų57.420%0.20132%0.315CS..THydrogen-bonded Turntrans-60.7-40.4178.1179.919.2000112.1V134 V140 R204 D239 L244V134-W242 HydrophobicContact CG2-CD2 4.19Å; V134-W242 HydrophobicContact CG2-CE3 3.34Å; V134-W242 HydrophobicContact CG2-CH2 4.27Å; V134-W242 HydrophobicContact CG2-CZ3 3.38Å; V140-W242 HydrophobicContact CG1-CH2 3.97Å; V140-W242 HydrophobicContact CG1-CZ2 4.07Å; V140-W242 HydrophobicContact CG2-CH2 3.74Å; V140-W242 HydrophobicContact CG2-CZ2 3.74Å; R204-W242 HydrophobicContact CB-CD2 4.04Å; R204-W242 HydrophobicContact CB-CG 4.17Å; R204-W242 HydrophobicContact CB-CZ2 4.36Å; R204-W242 HydrophobicContact CG-CZ2 4.01Å; D239-W242 HydrophobicContact CB-CB 4.26Å; D239-W242 WeakPolarHBondContact O-CB 3.48Å; D239-W242 PolarHBondContact O-N 2.67Å; D239-W242 VanDerWaalsContact O-N 3.12Å; D239-W242 PolarHBondContact OD2-N 3.2Å; W242-L244 VanDerWaalsContact C-N 3.27Å; W242-L244 PolarHBondContact O-N 3.41Å
243R94.3Very high97.2Very high133 Ų13358.8 Ų58.850%0.50232%0.321SS..THydrogen-bonded Turntrans-79-0.8178.681.1-179.9-166.9101.7-0.2115.2V138 D239 G241V138-R243 HydrophobicContact CG1-CB 3.87Å; D239-R243 VanDerWaalsContact OD2-CB 3.31Å; D239-R243 WeakPolarHBondContact OD2-CB 3.48Å; D239-R243 VanDerWaalsContact OD2-CG 3.22Å; D239-R243 WeakPolarHBondContact OD2-CG 3.45Å; D239-R243 PolarHBondContact OD2-N 3.5Å; G241-R243 VanDerWaalsContact C-N 3.33Å; G241-R243 PolarHBondContact O-N 3.33Å
244L93.5Very high97.1Very high177 Ų17762.3 Ų62.393%0.92733%0.331SS*.  trans-850177.9179.570.3000111.1K206 G241 W242K206-L244 PolarHBondContact NZ-OXT 3.44Å; G241-L244 WeakPolarHBondContact O-CB 3.3Å; G241-L244 PolarHBondContact O-N 3.21Å; W242-L244 VanDerWaalsContact C-N 3.27Å; W242-L244 PolarHBondContact O-N 3.41Å

Retrieved 244 of 244 residues in 147.6 ms (Link to these results)

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