A0A087XXU0_POEFO Loading...

N-acetylneuraminic acid phosphatase

AlphaFold DB (A0A3B3TYW9), UniProt , Accession A0A087XXU0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 243 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
1M46.6Very low81Confident241 Ų24170.5 Ų70.5100%1.18738%0.378SS*.  0114.40-66.9-179.6-141.500105.5G3M1-G3 PolarHBondContact O-N 3.21Å
2E45.3Very low82.5Confident195 Ų19565.3 Ų65.391%0.91135%0.35SS*.  trans-53.2123.2173.7-77.3168.7149.400108.5K4E2-K4 PolarHBondContact O-N 3.46Å
3G54.8Low83.7Confident69 Ų6960.3 Ų60.371%0.71132%0.323SS*.  trans-62.1103.6-175.200000109.8M1 A5M1-G3 PolarHBondContact O-N 3.21Å; G3-A5 PolarHBondContact O-N 3.09Å
4K67.1Low84.7Confident114 Ų11457.9 Ų57.950%0.49631%0.31SS..PPolyproline II helixtrans-62.4121.4172.7-74.4179.8173.6174.60107.8E2 Q184 R206E2-K4 PolarHBondContact O-N 3.46Å; K4-Q184 HydrophobicContact CD-CG 3.57Å; K4-R206 PolarHBondContact O-NH1 2.95Å; K4-R206 PolarHBondContact O-NH2 3.44Å
5A87.8Confident85.5Confident41 Ų4155.7 Ų55.734%0.33930%0.299SS..PPolyproline II helixtrans-74155.4176.300000111.5G3 K7G3-A5 PolarHBondContact O-N 3.09Å; A5-K7 PolarHBondContact O-N 3.43Å
6V96.6Very high86.2Confident8 Ų852.4 Ų52.45%0.04828%0.281CS..PPolyproline II helixtrans-63.9132170.8177.90000109.3Y127 V187 L239 L242V6-Y127 HydrophobicContact CB-CD1 4.36Å; V6-Y127 HydrophobicContact CB-CE1 3.97Å; V6-Y127 HydrophobicContact CG1-CD1 3.88Å; V6-Y127 HydrophobicContact CG1-CE1 3.89Å; V6-V187 HydrophobicContact CG1-CG2 3.9Å; V6-V187 HydrophobicContact CG2-CG2 3.9Å; V6-L239 HydrophobicContact CG1-CD2 4.37Å; V6-L242 HydrophobicContact CG2-CB 3.84Å; V6-L242 HydrophobicContact CG2-CD1 4.33Å
7K97.9Very high86.9Confident108 Ų10849.7 Ų49.747%0.4727%0.267SS..  trans-117-24.6176.4-56.8-179.3-168.5152.70113.4A5 K128 V181 D185A5-K7 PolarHBondContact O-N 3.43Å; K7-K128 PolarHBondContact O-N 3.49Å; K7-V181 HydrophobicContact CB-CG1 4.18Å; K7-D185 HydrophobicContact CB-CB 4.04Å; K7-D185 HydrophobicContact CD-CB 4.05Å; K7-D185 WeakPolarHBondContact CD-OD2 3.38Å; K7-D185 WeakPolarHBondContact CE-OD2 3.44Å; K7-D185 HydrophobicContact CG-CB 4.03Å; K7-D185 PolarHBondContact N-O 2.92Å; K7-D185 IonicContact NZ-OD1 3.79Å; K7-D185 IonicContact NZ-OD2 2.79Å; K7-D185 PolarHBondContact NZ-OD2 3.24Å
8A98.6Very high87.4Confident0 Ų047.1 Ų47.10%025%0.252CS..EExtended strand (participates in β ladder)trans-139.5148.6-175.500000112.7K128 L179 V181 D185 C186 V187A8-K128 CarbonylContact C-O 3.56Å; A8-K128 WeakPolarHBondContact CA-O 3.33Å; A8-K128 HydrophobicContact CB-CB 4.18Å; A8-L179 HydrophobicContact CB-CD1 3.69Å; A8-V181 HydrophobicContact CB-CG1 4.24Å; A8-V181 HydrophobicContact CB-CG2 4.02Å; A8-D185 PolarHBondContact N-O 3.05Å; A8-D185 VanDerWaalsContact N-O 3.15Å; A8-C186 CarbonylContact O-C 3.57Å; A8-C186 VanDerWaalsContact O-CA 3.32Å; A8-C186 WeakPolarHBondContact O-CA 3.3Å; A8-V187 PolarHBondContact O-N 2.82Å
9I98.9Very high87.9Confident0 Ų047.8 Ų47.80%026%0.257CS..EExtended strand (participates in β ladder)trans-126.5124.1174.4-48.7171.3000107.9F11 L123 Y127 K128 L129 L130 V187 V189 L235 L239I9-F11 HydrophobicContact CB-CD2 4.31Å; I9-F11 HydrophobicContact CB-CE2 3.77Å; I9-F11 HydrophobicContact CB-CZ 4.4Å; I9-F11 HydrophobicContact CG2-CD2 3.82Å; I9-F11 HydrophobicContact CG2-CE1 4.29Å; I9-F11 HydrophobicContact CG2-CE2 3.33Å; I9-F11 HydrophobicContact CG2-CZ 3.61Å; I9-L123 HydrophobicContact CD1-CD1 4.19Å; I9-L123 HydrophobicContact CD1-CD2 4.23Å; I9-Y127 HydrophobicContact CD1-CD2 3.78Å; I9-Y127 HydrophobicContact CD1-CE2 4.36Å; I9-Y127 HydrophobicContact CD1-CG 3.94Å; I9-Y127 HydrophobicContact CG1-CG 4.24Å; I9-K128 PolarHBondContact N-O 2.89Å; I9-L129 HydrophobicContact CB-CD2 4.05Å; I9-L129 HydrophobicContact CD1-CD2 4.1Å; I9-L129 HydrophobicContact CG1-CD2 4.29Å; I9-L130 PolarHBondContact O-N 3.39Å; I9-V187 WeakPolarHBondContact CA-O 3.45Å; I9-V189 HydrophobicContact CG2-CG2 3.64Å; I9-L235 HydrophobicContact CD1-CD2 4.47Å; I9-L235 HydrophobicContact CG2-CD2 4.38Å; I9-L239 HydrophobicContact CD1-CD1 3.68Å; I9-L239 HydrophobicContact CD1-CD2 4.13Å; I9-L239 HydrophobicContact CG1-CD2 4.5Å
10L98.9Very high88.2Confident0 Ų046.1 Ų46.10%025%0.247CC..EExtended strand (participates in β ladder)trans-98122173.5-48.8-174000107.8L130 F172 C175 F176 L179 V187 M188 V189L10-L130 CarbonylContact C-O 3.53Å; L10-L130 WeakPolarHBondContact CA-O 3.5Å; L10-L130 HydrophobicContact CD2-CB 3.79Å; L10-L130 HydrophobicContact CD2-CD1 4.41Å; L10-L130 HydrophobicContact CD2-CD2 4.05Å; L10-L130 HydrophobicContact CD2-CG 4.31Å; L10-F172 HydrophobicContact CD1-CD1 3.77Å; L10-F172 HydrophobicContact CD1-CE1 4.26Å; L10-C175 HydrophobicContact CD1-CB 4.15Å; L10-C175 HydrophobicContact CD2-CB 4.11Å; L10-F176 HydrophobicContact CD1-CE1 3.88Å; L10-L179 HydrophobicContact CD2-CD1 3.96Å; L10-V187 PolarHBondContact N-O 3.19Å; L10-M188 HydrophobicContact CB-SD 3.68Å; L10-V189 PolarHBondContact O-N 2.79Å
11F98.9Very high88.5Confident0 Ų047 Ų470%026%0.257CS..EExtended strand (participates in β ladder)trans-108.1136.5179.5-75.7-85.4000110.9I9 L17 L120 L123 L129 L130 L131 L132 F153 V189 V232 L235I9-F11 HydrophobicContact CB-CD2 4.31Å; I9-F11 HydrophobicContact CB-CE2 3.77Å; I9-F11 HydrophobicContact CB-CZ 4.4Å; I9-F11 HydrophobicContact CG2-CD2 3.82Å; I9-F11 HydrophobicContact CG2-CE1 4.29Å; I9-F11 HydrophobicContact CG2-CE2 3.33Å; I9-F11 HydrophobicContact CG2-CZ 3.61Å; F11-L17 HydrophobicContact CB-CD1 4.04Å; F11-L17 HydrophobicContact CD1-CD2 4.07Å; F11-L17 HydrophobicContact CE1-CD2 4.48Å; F11-L17 HydrophobicContact CG-CD1 4.47Å; F11-L120 HydrophobicContact CD2-CD2 4.47Å; F11-L120 HydrophobicContact CE2-CD2 4.1Å; F11-L120 HydrophobicContact CZ-CD2 4.19Å; F11-L123 HydrophobicContact CE2-CD1 4.44Å; F11-L123 HydrophobicContact CZ-CD1 3.86Å; F11-L129 HydrophobicContact CE2-CD2 4.22Å; F11-L130 PolarHBondContact N-O 2.93Å; F11-L131 HydrophobicContact CB-CD1 4.36Å; F11-L131 CarbonylContact O-C 3.57Å; F11-L131 WeakPolarHBondContact O-CA 3.34Å; F11-L132 PolarHBondContact O-N 2.85Å; F11-F153 HydrophobicContact CB-CE1 4.09Å; F11-F153 AromaticContact CD2-CE1 3.89Å; F11-F153 HydrophobicContact CD2-CE1 3.89Å; F11-F153 HydrophobicContact CG-CE1 4.27Å; F11-V189 HydrophobicContact CD1-CB 3.88Å; F11-V189 HydrophobicContact CD1-CG1 4.08Å; F11-V189 HydrophobicContact CD1-CG2 4.42Å; F11-V189 HydrophobicContact CE1-CB 4.04Å; F11-V189 HydrophobicContact CE1-CG1 4.04Å; F11-V189 HydrophobicContact CE1-CG2 4.17Å; F11-V232 HydrophobicContact CD1-CG2 4.27Å; F11-V232 HydrophobicContact CE1-CG2 3.66Å; F11-L235 HydrophobicContact CE1-CD2 3.65Å; F11-L235 HydrophobicContact CZ-CD2 3.45Å; F11-L235 VanDerWaalsContact CZ-CD2 3.45Å
12D98.7Very high90.8Very high8 Ų840 Ų404%0.04322%0.224CC..  trans-71.6162156.2-178.561.1000111.6D14 T16 L17 K166 M188 V189D12-D14 PolarHBondContact OD2-N 2.98Å; D12-T16 HydrophobicContact CB-CG2 4.38Å; D12-T16 PolarHBondContact OD2-OG1 3.42Å; D12-L17 WeakPolarHBondContact O-CD1 3.38Å; D12-L17 WeakPolarHBondContact O-CG 3.33Å; D12-K166 IonicContact OD1-NZ 3.61Å; D12-K166 PolarHBondContact OD1-NZ 3.21Å; D12-M188 HydrophobicContact CB-CE 4.25Å; D12-V189 PolarHBondContact N-O 3.47Å
13L98.4Very high93.2Very high0 Ų030.8 Ų30.80%018%0.182CC..  trans-97.5-57.8177.1-178.461.1000112.4N15 L17 V18 L131 K143 V144L13-N15 PolarHBondContact O-N 2.97Å; L13-L17 PolarHBondContact O-N 3.39Å; L13-V18 HydrophobicContact CD1-CG1 4.41Å; L13-V18 HydrophobicContact CD1-CG2 3.84Å; L13-V18 HydrophobicContact CG-CG2 3.95Å; L13-V18 WeakPolarHBondContact O-CG2 3.24Å; L13-V18 PolarHBondContact O-N 3.27Å; L13-L131 HydrophobicContact CB-CD1 3.97Å; L13-L131 HydrophobicContact CB-CD2 4.5Å; L13-L131 HydrophobicContact CD1-CD1 4.29Å; L13-L131 HydrophobicContact CD1-CD2 4.27Å; L13-K143 HydrophobicContact CD2-CB 4.04Å; L13-V144 HydrophobicContact CD2-CG2 3.89Å
14D97.5Very high95.2Very high26 Ų2628 Ų2814%0.13915%0.154CC..BIsolated β-bridgetrans-79.1121.2-160.7-74.1-61.5000109.1D12 T16 T20 Q140 K143D12-D14 PolarHBondContact OD2-N 2.98Å; D14-T16 PolarHBondContact O-N 2.64Å; D14-T20 HydrophobicContact CB-CG2 4.09Å; D14-T20 WeakPolarHBondContact OD1-CG2 3.44Å; D14-Q140 PolarHBondContact OD2-NE2 3.15Å; D14-K143 VanDerWaalsContact OD1-CD 3.27Å; D14-K143 WeakPolarHBondContact OD1-CD 3.43Å; D14-K143 WeakPolarHBondContact OD1-CE 3.4Å; D14-K143 IonicContact OD1-NZ 3.3Å; D14-K143 PolarHBondContact OD1-NZ 3.14Å; D14-K143 IonicContact OD2-NZ 2.63Å; D14-K143 PolarHBondContact OD2-NZ 3.49Å
15N95.9Very high96.5Very high26 Ų2628 Ų2814%0.13916%0.155CC..THydrogen-bonded Turntrans62.2-5.4-174.2-50-37.7000115.8L13 V18 T20 S21 D191 R213L13-N15 PolarHBondContact O-N 2.97Å; N15-V18 WeakPolarHBondContact CA-O 3.48Å; N15-V18 PolarHBondContact N-O 3.49Å; N15-T20 PolarHBondContact OD1-N 3.02Å; N15-T20 PolarHBondContact OD1-OG1 3.44Å; N15-S21 PolarHBondContact ND2-OG 3.34Å; N15-S21 VanDerWaalsContact ND2-OG 3.14Å; N15-S21 PolarHBondContact OD1-N 3.15Å; N15-S21 PolarHBondContact OD1-OG 2.97Å; N15-D191 HydrophobicContact CB-CB 4.5Å; N15-D191 VanDerWaalsContact CB-OD2 3.32Å; N15-D191 WeakPolarHBondContact CB-OD2 3.13Å; N15-R213 PolarHBondContact O-NE 2.89Å; N15-R213 PolarHBondContact O-NH1 3.27Å; N15-R213 PolarHBondContact O-NH2 3.5Å
16T97.2Very high97Very high2 Ų229.4 Ų29.41%0.01216%0.159CC..THydrogen-bonded Turntrans-86.7-59.2168.4-60.50000110.9D12 D14 V189 G190 D191 I211D12-T16 HydrophobicContact CB-CG2 4.38Å; D12-T16 PolarHBondContact OD2-OG1 3.42Å; D14-T16 PolarHBondContact O-N 2.64Å; T16-V189 HydrophobicContact CG2-CG1 4.42Å; T16-G190 WeakPolarHBondContact OG1-CA 3.23Å; T16-D191 PolarHBondContact OG1-N 2.86Å; T16-I211 HydrophobicContact CG2-CG1 4.19Å
17L98.1Very high97Very high7 Ų729 Ų294%0.03716%0.157CC..THydrogen-bonded Turntrans-103.4-30.9-177-65.7176.6000113.2F11 D12 L13 L112 V116 L120 L131 F153 V232F11-L17 HydrophobicContact CB-CD1 4.04Å; F11-L17 HydrophobicContact CD1-CD2 4.07Å; F11-L17 HydrophobicContact CE1-CD2 4.48Å; F11-L17 HydrophobicContact CG-CD1 4.47Å; D12-L17 WeakPolarHBondContact O-CD1 3.38Å; D12-L17 WeakPolarHBondContact O-CG 3.33Å; L13-L17 PolarHBondContact O-N 3.39Å; L17-L112 HydrophobicContact CB-CD2 3.84Å; L17-V116 HydrophobicContact CD2-CG1 3.97Å; L17-L120 HydrophobicContact CD2-CD2 4.47Å; L17-L131 HydrophobicContact CD1-CD1 3.81Å; L17-F153 HydrophobicContact CD1-CE1 4.44Å; L17-F153 HydrophobicContact CD1-CE2 4.38Å; L17-F153 HydrophobicContact CD1-CZ 3.58Å; L17-V232 HydrophobicContact CD2-CG1 4.49Å; L17-V232 HydrophobicContact CD2-CG2 4.12Å
18V96.8Very high97Very high2 Ų224.5 Ų24.51%0.01214%0.138CC..BIsolated β-bridgetrans-127.9144.5177.7-64.70000110.5L13 N15 T20 L110 L112 A147L13-V18 HydrophobicContact CD1-CG1 4.41Å; L13-V18 HydrophobicContact CD1-CG2 3.84Å; L13-V18 HydrophobicContact CG-CG2 3.95Å; L13-V18 WeakPolarHBondContact O-CG2 3.24Å; L13-V18 PolarHBondContact O-N 3.27Å; N15-V18 WeakPolarHBondContact CA-O 3.48Å; N15-V18 PolarHBondContact N-O 3.49Å; V18-T20 HydrophobicContact CG2-CG2 3.75Å; V18-T20 PolarHBondContact O-N 2.9Å; V18-T20 VanDerWaalsContact O-N 3.1Å; V18-L110 HydrophobicContact CB-CD2 4.45Å; V18-L110 HydrophobicContact CG2-CD2 4.36Å; V18-L112 HydrophobicContact CG1-CD2 3.88Å; V18-A147 HydrophobicContact CG1-CB 3.81Å
19D95.4Very high96.9Very high62 Ų6232 Ų3233%0.33217%0.17SC..  trans-85.785-177.5-162.8-20.1000112.1S21 L22 A23 R213D19-S21 PolarHBondContact OD1-N 3.34Å; D19-L22 HydrophobicContact CB-CB 4.09Å; D19-L22 VanDerWaalsContact OD1-CB 3.28Å; D19-L22 WeakPolarHBondContact OD1-CB 3.5Å; D19-L22 PolarHBondContact OD1-N 3.42Å; D19-L22 WeakPolarHBondContact OD2-CB 3.47Å; D19-A23 VanDerWaalsContact O-CB 3.31Å; D19-A23 WeakPolarHBondContact O-CB 3.33Å; D19-A23 PolarHBondContact O-N 3.32Å; D19-A23 VanDerWaalsContact O-N 3.11Å; D19-R213 IonicContact OD1-NH1 3.11Å; D19-R213 IonicContact OD2-NH1 2.93Å
20T95.6Very high96.8Very high12 Ų1236.7 Ų36.77%0.07419%0.191CC..Hα-helixtrans-79-26-177.164.70000113.8D14 N15 V18 G24 L110D14-T20 HydrophobicContact CB-CG2 4.09Å; D14-T20 WeakPolarHBondContact OD1-CG2 3.44Å; N15-T20 PolarHBondContact OD1-N 3.02Å; N15-T20 PolarHBondContact OD1-OG1 3.44Å; V18-T20 HydrophobicContact CG2-CG2 3.75Å; V18-T20 PolarHBondContact O-N 2.9Å; V18-T20 VanDerWaalsContact O-N 3.1Å; T20-G24 PolarHBondContact O-N 2.91Å; T20-L110 HydrophobicContact CG2-CD1 4.44Å; T20-L110 HydrophobicContact CG2-CD2 3.68Å
21S93.6Very high96.7Very high65 Ų6536.7 Ų36.746%0.45519%0.191SC..Hα-helixtrans-64.5-53.7172.2-68.10000110.1N15 D19 A23 G24 E25N15-S21 PolarHBondContact ND2-OG 3.34Å; N15-S21 VanDerWaalsContact ND2-OG 3.14Å; N15-S21 PolarHBondContact OD1-N 3.15Å; N15-S21 PolarHBondContact OD1-OG 2.97Å; D19-S21 PolarHBondContact OD1-N 3.34Å; S21-A23 PolarHBondContact O-N 2.51Å; S21-G24 PolarHBondContact O-N 3.17Å; S21-G24 VanDerWaalsContact O-N 3.16Å; S21-E25 WeakPolarHBondContact O-CG 3.45Å; S21-E25 PolarHBondContact O-N 3.06Å
22L94.3Very high96.6Very high94 Ų9436.9 Ų36.949%0.49219%0.193SC..Hα-helixtrans-60-47177179.963.8000111.7D19 G24 E25 V26D19-L22 HydrophobicContact CB-CB 4.09Å; D19-L22 VanDerWaalsContact OD1-CB 3.28Å; D19-L22 WeakPolarHBondContact OD1-CB 3.5Å; D19-L22 PolarHBondContact OD1-N 3.42Å; D19-L22 WeakPolarHBondContact OD2-CB 3.47Å; L22-G24 VanDerWaalsContact C-N 3.26Å; L22-G24 PolarHBondContact O-N 3.26Å; L22-E25 PolarHBondContact O-N 2.97Å; L22-V26 HydrophobicContact CD1-CG2 4.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.26Å; L22-V26 PolarHBondContact O-N 3.07Å
23A96.9Very high96.5Very high2 Ų241.4 Ų41.42%0.01721%0.214CC..Hα-helixtrans-58.6-39.8177.600000112D19 S21 A27 R106 L109 L110D19-A23 VanDerWaalsContact O-CB 3.31Å; D19-A23 WeakPolarHBondContact O-CB 3.33Å; D19-A23 PolarHBondContact O-N 3.32Å; D19-A23 VanDerWaalsContact O-N 3.11Å; S21-A23 PolarHBondContact O-N 2.51Å; A23-A27 VanDerWaalsContact O-CB 3.24Å; A23-A27 WeakPolarHBondContact O-CB 3.4Å; A23-A27 PolarHBondContact O-N 3.36Å; A23-R106 HydrophobicContact CB-CB 4.14Å; A23-L109 HydrophobicContact CB-CB 3.84Å; A23-L109 HydrophobicContact CB-CD1 4.39Å; A23-L110 HydrophobicContact CB-CD2 3.77Å
24G96.3Very high96.2Very high12 Ų1243.8 Ų43.812%0.12423%0.226CC..Hα-helixtrans-64.7-42.8175.400000113.1T20 S21 L22 A27 L28T20-G24 PolarHBondContact O-N 2.91Å; S21-G24 PolarHBondContact O-N 3.17Å; S21-G24 VanDerWaalsContact O-N 3.16Å; L22-G24 VanDerWaalsContact C-N 3.26Å; L22-G24 PolarHBondContact O-N 3.26Å; G24-A27 PolarHBondContact O-N 3.11Å; G24-L28 WeakPolarHBondContact O-CB 3.45Å; G24-L28 VanDerWaalsContact O-CG 3.3Å; G24-L28 WeakPolarHBondContact O-CG 3.44Å; G24-L28 PolarHBondContact O-N 2.97Å
25E95.5Very high96.1Very high114 Ų11442.5 Ų42.553%0.53322%0.219SC..Hα-helixtrans-65-45.7177.9-72.4-175.8168.600112.5S21 L22 A27 L28 K29S21-E25 WeakPolarHBondContact O-CG 3.45Å; S21-E25 PolarHBondContact O-N 3.06Å; L22-E25 PolarHBondContact O-N 2.97Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-A27 PolarHBondContact O-N 2.91Å; E25-L28 PolarHBondContact O-N 2.89Å; E25-K29 PolarHBondContact O-N 3.3Å
26V97.2Very high96Very high69 Ų6944.6 Ų44.642%0.41823%0.227SC..Hα-helixtrans-61.4-43.6176.3175.70000110.6L22 L28 K29 K30 L109L22-V26 HydrophobicContact CD1-CG2 4.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.26Å; L22-V26 PolarHBondContact O-N 3.07Å; V26-L28 VanDerWaalsContact C-N 3.35Å; V26-L28 PolarHBondContact O-N 3.27Å; V26-K29 PolarHBondContact O-N 3.48Å; V26-K30 PolarHBondContact O-N 3.24Å; V26-L109 HydrophobicContact CB-CD1 3.65Å; V26-L109 HydrophobicContact CG1-CD1 3.59Å; V26-L109 HydrophobicContact CG2-CD1 4.23Å
27A97.5Very high95.8Very high0 Ų049.2 Ų49.20%026%0.259CS..Hα-helixtrans-63.8-37.9177.400000112.8A23 G24 E25 K30 T31 W102 R106A23-A27 VanDerWaalsContact O-CB 3.24Å; A23-A27 WeakPolarHBondContact O-CB 3.4Å; A23-A27 PolarHBondContact O-N 3.36Å; G24-A27 PolarHBondContact O-N 3.11Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-A27 PolarHBondContact O-N 2.91Å; A27-K30 PolarHBondContact O-N 2.99Å; A27-T31 WeakPolarHBondContact O-CB 3.48Å; A27-T31 PolarHBondContact O-N 3.29Å; A27-T31 PolarHBondContact O-OG1 3.36Å; A27-W102 HydrophobicContact CB-CG 4.28Å; A27-W102 WeakPolarHBondContact CB-O 3.42Å; A27-R106 HydrophobicContact CB-CB 3.89Å
28L97.4Very high95.6Very high13 Ų1354.2 Ų54.27%0.06828%0.281CS..Hα-helixtrans-67.7-40.9175.3-76.1171.5000112.1G24 E25 V26 K30 T31 G32 C50 F53 K54 W78G24-L28 WeakPolarHBondContact O-CB 3.45Å; G24-L28 VanDerWaalsContact O-CG 3.3Å; G24-L28 WeakPolarHBondContact O-CG 3.44Å; G24-L28 PolarHBondContact O-N 2.97Å; E25-L28 PolarHBondContact O-N 2.89Å; V26-L28 VanDerWaalsContact C-N 3.35Å; V26-L28 PolarHBondContact O-N 3.27Å; L28-K30 PolarHBondContact O-N 3.5Å; L28-T31 PolarHBondContact O-N 2.86Å; L28-G32 PolarHBondContact O-N 3.34Å; L28-C50 HydrophobicContact CD2-CB 4.37Å; L28-F53 HydrophobicContact CD2-CD1 3.79Å; L28-F53 HydrophobicContact CD2-CE1 4.09Å; L28-K54 HydrophobicContact CD1-CD 3.95Å; L28-K54 HydrophobicContact CD1-CG 3.68Å; L28-W78 HydrophobicContact CD2-CH2 3.65Å; L28-W78 HydrophobicContact CD2-CZ2 3.71Å
29K96.9Very high95.3Very high158 Ų15857.3 Ų57.369%0.68730%0.297SS*.Hα-helixtrans-58.5-48.2174.3-172.7178.4-179.6-1800111E25 V26 T31 G32 E33E25-K29 PolarHBondContact O-N 3.3Å; V26-K29 PolarHBondContact O-N 3.48Å; K29-T31 VanDerWaalsContact C-N 3.31Å; K29-T31 PolarHBondContact O-N 2.66Å; K29-G32 PolarHBondContact O-N 2.79Å; K29-E33 PolarHBondContact O-N 2.84Å
30K96.7Very high95.2Very high98 Ų9861.5 Ų61.543%0.42632%0.319SS..Hα-helixtrans-61.2-39.2177.6-165.1-178179.3-172.20112.3V26 A27 L28 E33 L101 S105V26-K30 PolarHBondContact O-N 3.24Å; A27-K30 PolarHBondContact O-N 2.99Å; L28-K30 PolarHBondContact O-N 3.5Å; K30-E33 PolarHBondContact O-N 3.06Å; K30-L101 HydrophobicContact CD-CD1 3.93Å; K30-L101 HydrophobicContact CG-CD1 4.31Å; K30-L101 HydrophobicContact CG-CD2 4.25Å; K30-S105 VanDerWaalsContact CD-OG 3.3Å; K30-S105 WeakPolarHBondContact CD-OG 3.39Å; K30-S105 PolarHBondContact NZ-OG 3.42Å
31T96.9Very high95.1Very high0 Ų062.5 Ų62.50%032%0.324CS..Hα-helixtrans-69.6-35.7176.9-55.10000112A27 L28 K29 E33 I34 L35 W78 C98A27-T31 WeakPolarHBondContact O-CB 3.48Å; A27-T31 PolarHBondContact O-N 3.29Å; A27-T31 PolarHBondContact O-OG1 3.36Å; L28-T31 PolarHBondContact O-N 2.86Å; K29-T31 VanDerWaalsContact C-N 3.31Å; K29-T31 PolarHBondContact O-N 2.66Å; T31-E33 VanDerWaalsContact C-N 3.3Å; T31-E33 PolarHBondContact O-N 2.84Å; T31-I34 PolarHBondContact O-N 3.2Å; T31-I34 VanDerWaalsContact O-N 3.17Å; T31-L35 PolarHBondContact O-N 3.28Å; T31-W78 HydrophobicContact CG2-CH2 3.51Å; T31-W78 HydrophobicContact CG2-CZ2 3.7Å; T31-W78 HydrophobicContact CG2-CZ3 4.06Å; T31-C98 HydrophobicContact CG2-CB 3.55Å
32G96.1Very high95.2Very high5 Ų563.9 Ų63.95%0.05233%0.326CS..Hα-helixtrans-58.7-38.3174.400000113L28 K29 I34 L35 K36L28-G32 PolarHBondContact O-N 3.34Å; K29-G32 PolarHBondContact O-N 2.79Å; G32-I34 VanDerWaalsContact C-N 3.32Å; G32-I34 PolarHBondContact O-N 2.95Å; G32-L35 WeakPolarHBondContact O-CB 3.46Å; G32-L35 PolarHBondContact O-N 2.66Å; G32-K36 WeakPolarHBondContact O-CB 3.42Å; G32-K36 PolarHBondContact O-N 3.03Å
33E95.9Very high95.3Very high103 Ų10363.4 Ų63.448%0.48133%0.325SS..Hα-helixtrans-62.4-37.5175.7-62-56.4147.400112.6K29 K30 T31 S37K29-E33 PolarHBondContact O-N 2.84Å; K30-E33 PolarHBondContact O-N 3.06Å; T31-E33 VanDerWaalsContact C-N 3.3Å; T31-E33 PolarHBondContact O-N 2.84Å; E33-S37 WeakPolarHBondContact O-CB 3.44Å; E33-S37 PolarHBondContact O-N 3.04Å
34I93.7Very high95.3Very high49 Ų4968.3 Ų68.325%0.25135%0.35SS..Hα-helixtrans-65.3-44.1173.9-69.8-161.6000110.8T31 G32 S37 K38 L94 L101T31-I34 PolarHBondContact O-N 3.2Å; T31-I34 VanDerWaalsContact O-N 3.17Å; G32-I34 VanDerWaalsContact C-N 3.32Å; G32-I34 PolarHBondContact O-N 2.95Å; I34-S37 PolarHBondContact O-N 2.7Å; I34-K38 HydrophobicContact CG2-CD 3.85Å; I34-K38 HydrophobicContact CG2-CG 4.2Å; I34-K38 WeakPolarHBondContact O-CB 3.15Å; I34-K38 WeakPolarHBondContact O-CG 3.49Å; I34-K38 PolarHBondContact O-N 3.22Å; I34-L94 HydrophobicContact CG2-CD1 4.09Å; I34-L101 HydrophobicContact CD1-CD2 3.32Å; I34-L101 HydrophobicContact CG1-CD2 3.77Å
35L93.9Very high95.3Very high0 Ų069.4 Ų69.40%036%0.355CS..Hα-helixtrans-61.7-47.5178-73.5165.2000111.1T31 G32 S37 K38 L39 V46 I49 W78 I82 L94T31-L35 PolarHBondContact O-N 3.28Å; G32-L35 WeakPolarHBondContact O-CB 3.46Å; G32-L35 PolarHBondContact O-N 2.66Å; L35-S37 VanDerWaalsContact C-N 3.34Å; L35-S37 PolarHBondContact O-N 3.32Å; L35-K38 PolarHBondContact O-N 3.1Å; L35-L39 HydrophobicContact CD2-CD1 4.13Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 PolarHBondContact O-N 3.03Å; L35-V46 HydrophobicContact CB-CG2 4.25Å; L35-I49 HydrophobicContact CD1-CB 4.48Å; L35-I49 HydrophobicContact CD1-CG2 3.89Å; L35-W78 HydrophobicContact CD1-CE3 4.43Å; L35-W78 HydrophobicContact CD1-CZ3 3.75Å; L35-I82 HydrophobicContact CD2-CD1 3.69Å; L35-I82 HydrophobicContact CD2-CG1 3.83Å; L35-L94 HydrophobicContact CD2-CD2 4.23Å; L35-L94 HydrophobicContact CD2-CG 4.49Å
36K94.4Very high95.4Very high70 Ų7064.6 Ų64.630%0.30433%0.333SS..Hα-helixtrans-53.5-51.3176.5-165.4176.9-176.1166.60111.2G32 N40 L41 D43 V46G32-K36 WeakPolarHBondContact O-CB 3.42Å; G32-K36 PolarHBondContact O-N 3.03Å; K36-N40 WeakPolarHBondContact O-CA 3.22Å; K36-N40 PolarHBondContact O-N 3.11Å; K36-L41 VanDerWaalsContact CG-O 3.31Å; K36-L41 WeakPolarHBondContact CG-O 3.38Å; K36-L41 PolarHBondContact O-N 2.87Å; K36-D43 VanDerWaalsContact CE-OD1 3.32Å; K36-D43 WeakPolarHBondContact CE-OD1 3.35Å; K36-D43 IonicContact NZ-OD1 3.34Å; K36-D43 PolarHBondContact NZ-OD1 2.8Å; K36-D43 IonicContact NZ-OD2 2.98Å; K36-D43 PolarHBondContact NZ-OD2 2.87Å; K36-D43 VanDerWaalsContact NZ-OD2 3.11Å; K36-V46 HydrophobicContact CB-CG2 4.02Å
37S93.4Very high95.4Very high98 Ų9867.6 Ų67.669%0.68534%0.337SS*.Hα-helixtrans-67.1-49.5-178.9168.40000113.1E33 I34 L35E33-S37 WeakPolarHBondContact O-CB 3.44Å; E33-S37 PolarHBondContact O-N 3.04Å; I34-S37 PolarHBondContact O-N 2.7Å; L35-S37 VanDerWaalsContact C-N 3.34Å; L35-S37 PolarHBondContact O-N 3.32Å
38K92.7Very high95.4Very high112 Ų11269.8 Ų69.849%0.48735%0.352SS..Hα-helixtrans-77.4-29.9-170.2-72.3-165.9169.3-157.60113.9I34 L35 L94I34-K38 HydrophobicContact CG2-CD 3.85Å; I34-K38 HydrophobicContact CG2-CG 4.2Å; I34-K38 WeakPolarHBondContact O-CB 3.15Å; I34-K38 WeakPolarHBondContact O-CG 3.49Å; I34-K38 PolarHBondContact O-N 3.22Å; L35-K38 PolarHBondContact O-N 3.1Å; K38-L94 HydrophobicContact CB-CD1 4.33Å; K38-L94 HydrophobicContact CD-CD1 3.63Å
39L91.3Very high95.3Very high67 Ų6769.2 Ų69.235%0.35135%0.349SS..Hα-helixtrans-1081.4-178.4-61.3-178.8000112.6L35 L41 I82 T86 L94L35-L39 HydrophobicContact CD2-CD1 4.13Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 PolarHBondContact O-N 3.03Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 HydrophobicContact CB-CD1 3.72Å; L39-L41 HydrophobicContact CB-CD2 4.05Å; L39-L41 HydrophobicContact CB-CG 3.56Å; L39-L41 HydrophobicContact CD1-CD1 3.91Å; L39-L41 HydrophobicContact CG-CD1 4.46Å; L39-L41 PolarHBondContact O-N 3.13Å; L39-I82 HydrophobicContact CD1-CG2 3.85Å; L39-T86 HydrophobicContact CD1-CG2 4.46Å; L39-L94 HydrophobicContact CD1-CD2 3.66Å; L39-L94 HydrophobicContact CD2-CD2 3.77Å; L39-L94 HydrophobicContact CG-CD2 3.69Å
40N92.8Very high95.4Very high150 Ų15062.2 Ų62.280%0.80232%0.32SS*.THydrogen-bonded Turntrans51.347.2-177.8-167.555.7000112.4K36K36-N40 WeakPolarHBondContact O-CA 3.22Å; K36-N40 PolarHBondContact O-N 3.11Å
41L93.6Very high95.4Very high34 Ų3461 Ų6118%0.17832%0.318CS..  trans-92.1156.1-176.4-58.2175.5000111.1K36 L39 T45 V46 I49 T86K36-L41 VanDerWaalsContact CG-O 3.31Å; K36-L41 WeakPolarHBondContact CG-O 3.38Å; K36-L41 PolarHBondContact O-N 2.87Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 HydrophobicContact CB-CD1 3.72Å; L39-L41 HydrophobicContact CB-CD2 4.05Å; L39-L41 HydrophobicContact CB-CG 3.56Å; L39-L41 HydrophobicContact CD1-CD1 3.91Å; L39-L41 HydrophobicContact CG-CD1 4.46Å; L39-L41 PolarHBondContact O-N 3.13Å; L41-T45 HydrophobicContact CB-CG2 4.37Å; L41-T45 HydrophobicContact CD1-CG2 4.13Å; L41-T45 HydrophobicContact CD2-CG2 3.99Å; L41-T45 HydrophobicContact CG-CG2 4.37Å; L41-V46 HydrophobicContact CB-CG2 3.97Å; L41-V46 HydrophobicContact CD1-CG2 4.39Å; L41-I49 HydrophobicContact CD1-CD1 3.69Å; L41-T86 HydrophobicContact CD1-CG2 4.4Å; L41-T86 HydrophobicContact CD2-CG2 4.26Å
42D95.9Very high95.4Very high93 Ų9363.9 Ų63.950%0.49733%0.331SS..  trans-80.4169.116660.548.1000112.1D44 T45 V46D42-D44 VanDerWaalsContact C-N 3.3Å; D42-D44 PolarHBondContact O-N 2.98Å; D42-D44 PolarHBondContact OD1-N 2.77Å; D42-T45 PolarHBondContact O-N 3.16Å; D42-T45 VanDerWaalsContact OD1-CB 3.24Å; D42-T45 WeakPolarHBondContact OD1-CB 3.48Å; D42-T45 PolarHBondContact OD1-N 2.92Å; D42-T45 PolarHBondContact OD1-OG1 3.39Å; D42-T45 PolarHBondContact OD2-OG1 3.37Å; D42-V46 WeakPolarHBondContact O-CG2 3.49Å; D42-V46 PolarHBondContact O-N 3.14Å; D42-V46 VanDerWaalsContact O-N 3.11Å
43D96.2Very high95.5Very high85 Ų8563.6 Ų63.646%0.45533%0.328SS..Hα-helixtrans-65.9-31-176.1-71-39.8000113.2K36 R47K36-D43 VanDerWaalsContact CE-OD1 3.32Å; K36-D43 WeakPolarHBondContact CE-OD1 3.35Å; K36-D43 IonicContact NZ-OD1 3.34Å; K36-D43 PolarHBondContact NZ-OD1 2.8Å; K36-D43 IonicContact NZ-OD2 2.98Å; K36-D43 PolarHBondContact NZ-OD2 2.87Å; K36-D43 VanDerWaalsContact NZ-OD2 3.11Å; D43-R47 WeakPolarHBondContact O-CB 3.22Å; D43-R47 PolarHBondContact O-N 2.98Å
44D97.2Very high95.5Very high104 Ų10462.4 Ų62.456%0.55632%0.321SS*.Hα-helixtrans-73.3-38.4180-71-25.1000111.1D42 R47 S48D42-D44 VanDerWaalsContact C-N 3.3Å; D42-D44 PolarHBondContact O-N 2.98Å; D42-D44 PolarHBondContact OD1-N 2.77Å; D44-R47 PolarHBondContact O-N 2.85Å; D44-R47 IonicContact OD1-CZ 2.92Å; D44-R47 IonicContact OD1-NH1 3.33Å; D44-R47 PolarHBondContact OD1-NH1 2.92Å; D44-R47 IonicContact OD1-NH2 2.71Å; D44-R47 PolarHBondContact OD1-NH2 2.89Å; D44-S48 PolarHBondContact O-N 2.89Å
45T96.1Very high95.6Very high35 Ų3564.1 Ų64.122%0.21533%0.331CS..Hα-helixtrans-66.5-42.8175.2-55.20000111L41 D42 R47 S48 I49 T85L41-T45 HydrophobicContact CB-CG2 4.37Å; L41-T45 HydrophobicContact CD1-CG2 4.13Å; L41-T45 HydrophobicContact CD2-CG2 3.99Å; L41-T45 HydrophobicContact CG-CG2 4.37Å; D42-T45 PolarHBondContact O-N 3.16Å; D42-T45 VanDerWaalsContact OD1-CB 3.24Å; D42-T45 WeakPolarHBondContact OD1-CB 3.48Å; D42-T45 PolarHBondContact OD1-N 2.92Å; D42-T45 PolarHBondContact OD1-OG1 3.39Å; D42-T45 PolarHBondContact OD2-OG1 3.37Å; T45-R47 VanDerWaalsContact C-N 3.35Å; T45-R47 PolarHBondContact O-N 2.89Å; T45-S48 WeakPolarHBondContact O-CB 3.37Å; T45-S48 PolarHBondContact O-N 3.15Å; T45-I49 WeakPolarHBondContact O-CG1 3.31Å; T45-I49 PolarHBondContact O-N 2.88Å; T45-I49 VanDerWaalsContact O-N 3.09Å; T45-T85 HydrophobicContact CG2-CG2 3.72Å
46V97Very high95.7Very high13 Ų1366 Ų668%0.07934%0.339CS..Hα-helixtrans-61.5-44174.1171.20000111.1L35 K36 L41 D42 S48 I49 C50L35-V46 HydrophobicContact CB-CG2 4.25Å; K36-V46 HydrophobicContact CB-CG2 4.02Å; L41-V46 HydrophobicContact CB-CG2 3.97Å; L41-V46 HydrophobicContact CD1-CG2 4.39Å; D42-V46 WeakPolarHBondContact O-CG2 3.49Å; D42-V46 PolarHBondContact O-N 3.14Å; D42-V46 VanDerWaalsContact O-N 3.11Å; V46-S48 VanDerWaalsContact C-N 3.33Å; V46-S48 PolarHBondContact O-N 2.83Å; V46-I49 PolarHBondContact O-N 3.17Å; V46-C50 PolarHBondContact O-N 3.46Å
47R97.1Very high95.7Very high133 Ų13364.4 Ų64.450%0.50233%0.333SS..Hα-helixtrans-58.5-46.2176.3-167.8-174.9-54.7121.612.9111.2D43 D44 T45 I49 C50 D51D43-R47 WeakPolarHBondContact O-CB 3.22Å; D43-R47 PolarHBondContact O-N 2.98Å; D44-R47 PolarHBondContact O-N 2.85Å; D44-R47 IonicContact OD1-CZ 2.92Å; D44-R47 IonicContact OD1-NH1 3.33Å; D44-R47 PolarHBondContact OD1-NH1 2.92Å; D44-R47 IonicContact OD1-NH2 2.71Å; D44-R47 PolarHBondContact OD1-NH2 2.89Å; T45-R47 VanDerWaalsContact C-N 3.35Å; T45-R47 PolarHBondContact O-N 2.89Å; R47-I49 VanDerWaalsContact C-N 3.35Å; R47-I49 PolarHBondContact O-N 3.48Å; R47-C50 PolarHBondContact O-N 2.92Å; R47-D51 WeakPolarHBondContact O-CB 3.25Å; R47-D51 VanDerWaalsContact O-CG 3.29Å; R47-D51 PolarHBondContact O-N 3.45Å
48S97.5Very high95.5Very high46 Ų4666.6 Ų66.632%0.32234%0.337SS..Hα-helixtrans-57.6-43.1177-176.20000112.9D44 T45 V46 D51 K52D44-S48 PolarHBondContact O-N 2.89Å; T45-S48 WeakPolarHBondContact O-CB 3.37Å; T45-S48 PolarHBondContact O-N 3.15Å; V46-S48 VanDerWaalsContact C-N 3.33Å; V46-S48 PolarHBondContact O-N 2.83Å; S48-D51 PolarHBondContact O-N 3.45Å; S48-K52 WeakPolarHBondContact O-CB 3.38Å; S48-K52 WeakPolarHBondContact O-CG 3.38Å; S48-K52 PolarHBondContact O-N 3.44Å
49I96.9Very high95.4Very high0 Ų070.7 Ų70.70%035%0.349CS..Hα-helixtrans-62.3-48.5175.5-65.2168.4000110.6L35 L41 T45 V46 R47 D51 K52 F53 W78 S81 I82 T85 T86L35-I49 HydrophobicContact CD1-CB 4.48Å; L35-I49 HydrophobicContact CD1-CG2 3.89Å; L41-I49 HydrophobicContact CD1-CD1 3.69Å; T45-I49 WeakPolarHBondContact O-CG1 3.31Å; T45-I49 PolarHBondContact O-N 2.88Å; T45-I49 VanDerWaalsContact O-N 3.09Å; V46-I49 PolarHBondContact O-N 3.17Å; R47-I49 VanDerWaalsContact C-N 3.35Å; R47-I49 PolarHBondContact O-N 3.48Å; I49-D51 VanDerWaalsContact C-N 3.33Å; I49-D51 PolarHBondContact O-N 3.32Å; I49-K52 PolarHBondContact O-N 3.49Å; I49-F53 PolarHBondContact O-N 3.03Å; I49-W78 HydrophobicContact CG2-CE3 4.26Å; I49-W78 HydrophobicContact CG2-CZ3 4.03Å; I49-S81 WeakPolarHBondContact O-CB 3.45Å; I49-I82 HydrophobicContact CD1-CG1 4.4Å; I49-I82 HydrophobicContact CG2-CG1 3.78Å; I49-T85 HydrophobicContact CG1-CG2 3.87Å; I49-T86 HydrophobicContact CD1-CG2 4.47Å
50C97.4Very high95.3Very high12 Ų1269.9 Ų69.98%0.08134%0.343CS..Hα-helixtrans-62.1-40.1179.5-73.20000112.1L28 V46 R47 F53 K54L28-C50 HydrophobicContact CD2-CB 4.37Å; V46-C50 PolarHBondContact O-N 3.46Å; R47-C50 PolarHBondContact O-N 2.92Å; C50-F53 PolarHBondContact O-N 2.91Å; C50-K54 WeakPolarHBondContact O-CG 3.38Å; C50-K54 PolarHBondContact O-N 2.86Å
51D97.3Very high94.5Very high71 Ų7165.9 Ų65.938%0.3833%0.327SS..Hα-helixtrans-68.4-41.3178.7-70.4-20.3000111.6R47 S48 I49 F53 K54 L55R47-D51 WeakPolarHBondContact O-CB 3.25Å; R47-D51 VanDerWaalsContact O-CG 3.29Å; R47-D51 PolarHBondContact O-N 3.45Å; S48-D51 PolarHBondContact O-N 3.45Å; I49-D51 VanDerWaalsContact C-N 3.33Å; I49-D51 PolarHBondContact O-N 3.32Å; D51-F53 VanDerWaalsContact C-N 3.33Å; D51-F53 PolarHBondContact O-N 3.27Å; D51-K54 PolarHBondContact O-N 2.75Å; D51-L55 WeakPolarHBondContact O-CG 3.19Å; D51-L55 PolarHBondContact O-N 2.84Å
52K97.4Very high93.4Very high61 Ų6169 Ų6927%0.26535%0.349SS..Hα-helixtrans-59.5-43171.2-77.5169.4171.4-70.70111.9S48 I49 L55 K56 E84 T85S48-K52 WeakPolarHBondContact O-CB 3.38Å; S48-K52 WeakPolarHBondContact O-CG 3.38Å; S48-K52 PolarHBondContact O-N 3.44Å; I49-K52 PolarHBondContact O-N 3.49Å; K52-L55 PolarHBondContact O-N 3.17Å; K52-K56 WeakPolarHBondContact O-CG 3.49Å; K52-K56 PolarHBondContact O-N 3.1Å; K52-E84 HydrophobicContact CD-CB 4.28Å; K52-E84 IonicContact NZ-OE2 2.67Å; K52-E84 PolarHBondContact NZ-OE2 3.3Å; K52-T85 VanDerWaalsContact CD-OG1 3.27Å; K52-T85 WeakPolarHBondContact CD-OG1 3.48Å; K52-T85 WeakPolarHBondContact CE-OG1 3.31Å
53F97.3Very high92.3Very high0 Ų071.1 Ų71.10%036%0.361CS..Hα-helixtrans-62.6-46.1176.3172-102.5000111.5L28 I49 C50 D51 L55 K56 L57 H77 W78 S81 W102L28-F53 HydrophobicContact CD2-CD1 3.79Å; L28-F53 HydrophobicContact CD2-CE1 4.09Å; I49-F53 PolarHBondContact O-N 3.03Å; C50-F53 PolarHBondContact O-N 2.91Å; D51-F53 VanDerWaalsContact C-N 3.33Å; D51-F53 PolarHBondContact O-N 3.27Å; F53-L55 VanDerWaalsContact C-N 3.34Å; F53-L55 PolarHBondContact O-N 3.26Å; F53-K56 PolarHBondContact O-N 2.94Å; F53-L57 HydrophobicContact CD1-CD1 4.07Å; F53-L57 HydrophobicContact CD1-CG 4.41Å; F53-L57 HydrophobicContact CE1-CD1 3.42Å; F53-L57 VanDerWaalsContact CE1-CD1 3.42Å; F53-L57 HydrophobicContact CE1-CD2 4.44Å; F53-L57 HydrophobicContact CE1-CG 3.96Å; F53-L57 HydrophobicContact CE2-CD1 4.5Å; F53-L57 HydrophobicContact CE2-CD2 4.12Å; F53-L57 HydrophobicContact CE2-CG 4.21Å; F53-L57 HydrophobicContact CZ-CD1 3.66Å; F53-L57 HydrophobicContact CZ-CD2 3.84Å; F53-L57 HydrophobicContact CZ-CG 3.84Å; F53-L57 PolarHBondContact O-N 3.29Å; F53-H77 HydrophobicContact CD2-CB 3.72Å; F53-H77 HydrophobicContact CE2-CB 3.89Å; F53-W78 HydrophobicContact CB-CE3 4.42Å; F53-W78 HydrophobicContact CB-CZ3 4.4Å; F53-W78 AromaticContact CD1-CE2 3.86Å; F53-W78 HydrophobicContact CD1-CH2 4.13Å; F53-W78 AromaticContact CD1-CZ2 3.65Å; F53-W78 HydrophobicContact CD1-CZ2 3.65Å; F53-W78 AromaticContact CD2-CD1 3.73Å; F53-W78 AromaticContact CD2-CD2 3.81Å; F53-W78 HydrophobicContact CD2-CD2 3.81Å; F53-W78 AromaticContact CD2-CE2 3.73Å; F53-W78 HydrophobicContact CD2-CE3 4.48Å; F53-W78 AromaticContact CD2-CG 3.84Å; F53-W78 HydrophobicContact CD2-CG 3.84Å; F53-W78 HydrophobicContact CD2-CZ2 4.35Å; F53-W78 AromaticContact CD2-NE1 3.68Å; F53-W78 AromaticContact CE1-CE2 3.82Å; F53-W78 AromaticContact CE1-CZ2 3.73Å; F53-W78 HydrophobicContact CE1-CZ2 3.73Å; F53-W78 AromaticContact CE1-NE1 3.75Å; F53-W78 AromaticContact CE2-CD1 3.33Å; F53-W78 HydrophobicContact CE2-CD2 4.13Å; F53-W78 AromaticContact CE2-CE2 3.73Å; F53-W78 AromaticContact CE2-CG 3.92Å; F53-W78 HydrophobicContact CE2-CG 3.92Å; F53-W78 HydrophobicContact CE2-CZ2 4.45Å; F53-W78 AromaticContact CE2-NE1 3.2Å; F53-W78 HydrophobicContact CG-CD2 4.05Å; F53-W78 AromaticContact CG-CE2 3.81Å; F53-W78 HydrophobicContact CG-CE3 4.38Å; F53-W78 HydrophobicContact CG-CH2 4.29Å; F53-W78 AromaticContact CG-CZ2 3.96Å; F53-W78 HydrophobicContact CG-CZ2 3.96Å; F53-W78 HydrophobicContact CG-CZ3 4.48Å; F53-W78 AromaticContact CZ-CD1 3.85Å; F53-W78 AromaticContact CZ-CE2 3.76Å; F53-W78 HydrophobicContact CZ-CZ2 4.16Å; F53-W78 AromaticContact CZ-NE1 3.23Å; F53-S81 WeakPolarHBondContact CA-OG 3.47Å; F53-S81 PolarHBondContact N-OG 3.21Å; F53-S81 VanDerWaalsContact N-OG 3.17Å; F53-W102 HydrophobicContact CE1-CD2 4.05Å; F53-W102 AromaticContact CE1-CE2 3.86Å; F53-W102 HydrophobicContact CE1-CE3 4.49Å; F53-W102 HydrophobicContact CE1-CG 4.43Å; F53-W102 HydrophobicContact CE1-CH2 4.49Å; F53-W102 HydrophobicContact CE1-CZ2 4.1Å; F53-W102 HydrophobicContact CZ-CD2 4.16Å; F53-W102 HydrophobicContact CZ-CE3 4.14Å; F53-W102 HydrophobicContact CZ-CH2 4.3Å; F53-W102 HydrophobicContact CZ-CZ2 4.36Å; F53-W102 HydrophobicContact CZ-CZ3 4.22Å
54K96.4Very high91.3Very high77 Ų7770.5 Ų70.534%0.33535%0.352SS..Hα-helixtrans-56.6-45.9174.1-73.8179.8-176.3-177.40111.8L28 C50 D51 K56 L57 L58L28-K54 HydrophobicContact CD1-CD 3.95Å; L28-K54 HydrophobicContact CD1-CG 3.68Å; C50-K54 WeakPolarHBondContact O-CG 3.38Å; C50-K54 PolarHBondContact O-N 2.86Å; D51-K54 PolarHBondContact O-N 2.75Å; K54-K56 VanDerWaalsContact C-N 3.29Å; K54-K56 PolarHBondContact O-N 3.18Å; K54-L57 WeakPolarHBondContact O-CB 3.32Å; K54-L57 PolarHBondContact O-N 3.11Å; K54-L58 WeakPolarHBondContact O-CG 3.29Å; K54-L58 PolarHBondContact O-N 3.27Å
55L95.9Very high90.5Very high86 Ų8669.6 Ų69.645%0.4535%0.352SS..Hα-helixtrans-61.7-37.1178.6-73.6172.3000112.4D51 K52 F53 R59D51-L55 WeakPolarHBondContact O-CG 3.19Å; D51-L55 PolarHBondContact O-N 2.84Å; K52-L55 PolarHBondContact O-N 3.17Å; F53-L55 VanDerWaalsContact C-N 3.34Å; F53-L55 PolarHBondContact O-N 3.26Å; L55-R59 VanDerWaalsContact O-CG 3.31Å; L55-R59 WeakPolarHBondContact O-CG 3.27Å; L55-R59 PolarHBondContact O-N 2.95Å
56K95.8Very high89.7Confident38 Ų3874.3 Ų74.317%0.16538%0.383CS..Hα-helixtrans-68.3-42175.1-69.5173.7-168.9-76.70111.6K52 F53 K54 L58 R59 E60 H77 E80 S81 E84K52-K56 WeakPolarHBondContact O-CG 3.49Å; K52-K56 PolarHBondContact O-N 3.1Å; F53-K56 PolarHBondContact O-N 2.94Å; K54-K56 VanDerWaalsContact C-N 3.29Å; K54-K56 PolarHBondContact O-N 3.18Å; K56-L58 VanDerWaalsContact C-N 3.33Å; K56-L58 PolarHBondContact O-N 3.08Å; K56-R59 CarbonylContact O-C 3.59Å; K56-R59 PolarHBondContact O-N 3.34Å; K56-R59 VanDerWaalsContact O-N 3.13Å; K56-E60 PolarHBondContact O-N 3.23Å; K56-H77 HydrophobicContact CB-CB 4.07Å; K56-H77 HydrophobicContact CD-CB 3.99Å; K56-E80 HydrophobicContact CD-CB 4.44Å; K56-E80 WeakPolarHBondContact CE-OE2 3.35Å; K56-E80 IonicContact NZ-OE2 2.71Å; K56-E80 PolarHBondContact NZ-OE2 3.26Å; K56-S81 WeakPolarHBondContact CE-OG 3.36Å; K56-E84 WeakPolarHBondContact CE-OE1 3.15Å; K56-E84 IonicContact NZ-OE1 3.17Å; K56-E84 PolarHBondContact NZ-OE1 3.31Å
57L93.6Very high89Confident37 Ų3777.8 Ų77.819%0.19442%0.422CS..Hα-helixtrans-57.1-44.4173.1-69.6-177.9000112.2F53 K54 R59 E60 R74 W102F53-L57 HydrophobicContact CD1-CD1 4.07Å; F53-L57 HydrophobicContact CD1-CG 4.41Å; F53-L57 HydrophobicContact CE1-CD1 3.42Å; F53-L57 VanDerWaalsContact CE1-CD1 3.42Å; F53-L57 HydrophobicContact CE1-CD2 4.44Å; F53-L57 HydrophobicContact CE1-CG 3.96Å; F53-L57 HydrophobicContact CE2-CD1 4.5Å; F53-L57 HydrophobicContact CE2-CD2 4.12Å; F53-L57 HydrophobicContact CE2-CG 4.21Å; F53-L57 HydrophobicContact CZ-CD1 3.66Å; F53-L57 HydrophobicContact CZ-CD2 3.84Å; F53-L57 HydrophobicContact CZ-CG 3.84Å; F53-L57 PolarHBondContact O-N 3.29Å; K54-L57 WeakPolarHBondContact O-CB 3.32Å; K54-L57 PolarHBondContact O-N 3.11Å; L57-R59 PolarHBondContact O-N 3.29Å; L57-E60 WeakPolarHBondContact CD2-OE1 3.2Å; L57-E60 WeakPolarHBondContact O-CB 3.26Å; L57-E60 WeakPolarHBondContact O-CG 3.49Å; L57-E60 PolarHBondContact O-N 3.42Å; L57-R74 HydrophobicContact CD2-CG 3.84Å; L57-W102 HydrophobicContact CD1-CH2 3.87Å; L57-W102 HydrophobicContact CD1-CZ2 3.71Å; L57-W102 HydrophobicContact CD2-CH2 4.48Å
58L90Very high88.5Confident145 Ų14574.1 Ų74.176%0.75941%0.414SS*.Hα-helixtrans-65.9-21.3179.7-71.1171.7000113.5K54 K56K54-L58 WeakPolarHBondContact O-CG 3.29Å; K54-L58 PolarHBondContact O-N 3.27Å; K56-L58 VanDerWaalsContact C-N 3.33Å; K56-L58 PolarHBondContact O-N 3.08Å
59R90Very high88.2Confident198 Ų19873.8 Ų73.875%0.74741%0.412SS*.THydrogen-bonded Turntrans-101.46.6-179.6-66.9174-179.9177.11112.7L55 K56 L57 S61L55-R59 VanDerWaalsContact O-CG 3.31Å; L55-R59 WeakPolarHBondContact O-CG 3.27Å; L55-R59 PolarHBondContact O-N 2.95Å; K56-R59 CarbonylContact O-C 3.59Å; K56-R59 PolarHBondContact O-N 3.34Å; K56-R59 VanDerWaalsContact O-N 3.13Å; L57-R59 PolarHBondContact O-N 3.29Å; R59-S61 PolarHBondContact O-N 2.75Å
60E90Very high88Confident49 Ų4974.4 Ų74.423%0.22942%0.415CS..  trans-57.1122.9175.1-78.8176.9173.400109.9K56 L57 Q70 R74 H77K56-E60 PolarHBondContact O-N 3.23Å; L57-E60 WeakPolarHBondContact CD2-OE1 3.2Å; L57-E60 WeakPolarHBondContact O-CB 3.26Å; L57-E60 WeakPolarHBondContact O-CG 3.49Å; L57-E60 PolarHBondContact O-N 3.42Å; E60-Q70 VanDerWaalsContact CD-NE2 3.27Å; E60-Q70 PolarHBondContact OE2-NE2 2.63Å; E60-R74 WeakPolarHBondContact OE1-CG 3.48Å; E60-R74 IonicContact OE1-CZ 3.67Å; E60-R74 IonicContact OE1-NE 3.46Å; E60-R74 PolarHBondContact OE1-NE 3.02Å; E60-R74 IonicContact OE1-NH2 3.81Å; E60-R74 IonicContact OE2-CZ 2.99Å; E60-R74 IonicContact OE2-NE 3.9Å; E60-R74 PolarHBondContact OE2-NE 3.23Å; E60-R74 IonicContact OE2-NH2 3.09Å; E60-R74 PolarHBondContact OE2-NH2 3.05Å; E60-H77 IonicContact OE1-CE1 3.93Å; E60-H77 PolarHBondContact OE1-CE1 3.01Å; E60-H77 IonicContact OE1-ND1 2.76Å; E60-H77 PolarHBondContact OE1-ND1 2.93Å
61S76.9Confident87.8Confident67 Ų6774 Ų7447%0.46941%0.412SS..  trans-87.8144.2171.7-178.70000109.9R59 D63R59-S61 PolarHBondContact O-N 2.75Å; S61-D63 PolarHBondContact O-N 2.84Å; S61-D63 PolarHBondContact OG-N 3.16Å; S61-D63 VanDerWaalsContact OG-N 3.14Å
62P70.3Confident87.6Confident98 Ų9873.8 Ų73.864%0.63641%0.411SS*.SBendtrans-63-26.6167.724.5-31.2000112.3R64P62-R64 PolarHBondContact O-N 2.94Å
63D73Confident87.4Confident139 Ų13972.2 Ų72.274%0.74341%0.405SS*.  trans-76.3114.1175-167.214.7000110.1S61S61-D63 PolarHBondContact O-N 2.84Å; S61-D63 PolarHBondContact OG-N 3.16Å; S61-D63 VanDerWaalsContact OG-N 3.14Å
64R75Confident87.3Confident72 Ų7273.5 Ų73.527%0.27241%0.41SS..  trans-126.5144.6-170.6-72.5-178.9-92.2174.61.6110.4P62 Q70 I73 D136P62-R64 PolarHBondContact O-N 2.94Å; R64-Q70 VanDerWaalsContact NH1-CD 3.34Å; R64-I73 HydrophobicContact CB-CD1 4.24Å; R64-I73 HydrophobicContact CG-CD1 3.65Å; R64-D136 IonicContact CZ-OD2 2.66Å; R64-D136 VanDerWaalsContact CZ-OD2 3.27Å; R64-D136 IonicContact NH1-OD2 3.66Å; R64-D136 PolarHBondContact NH1-OD2 2.76Å; R64-D136 IonicContact NH2-OD2 2.98Å; R64-D136 PolarHBondContact NH2-OD2 2.65Å
65P80Confident87.3Confident84 Ų8471.6 Ų71.655%0.54540%0.403SS..  trans-55138.2174.8-23.432.9000111.2G67 T68P65-G67 PolarHBondContact O-N 2.84Å; P65-T68 PolarHBondContact O-N 2.77Å
66P79.3Confident87.2Confident134 Ų13470.8 Ų70.887%0.8740%0.403SS*.THydrogen-bonded Turntrans-56.3130.6180-25.733.6000112.2T68P66-T68 VanDerWaalsContact C-N 3.33Å
67G82.1Confident87.2Confident87 Ų8770.1 Ų70.190%0.89740%0.401SS*.THydrogen-bonded Turntrans84.9-2.917700000115.4P65P65-G67 PolarHBondContact O-N 2.84Å
68T86.8Confident87.4Confident55 Ų5568.4 Ų68.434%0.33739%0.392SS..  trans-89.7125.8176.9-51.40000110.9P65 P66 D72 I73P65-T68 PolarHBondContact O-N 2.77Å; P66-T68 VanDerWaalsContact C-N 3.33Å; T68-D72 HydrophobicContact CG2-CB 3.81Å; T68-I73 HydrophobicContact CG2-CD1 4.19Å; T68-I73 HydrophobicContact CG2-CG1 3.66Å
69S90.8Very high87.7Confident39 Ų3962.8 Ų62.827%0.27337%0.366SS..  trans-80.4160.8175.777.40000112D71 D72 I73S69-D71 PolarHBondContact O-N 3.01Å; S69-D71 PolarHBondContact OG-N 2.82Å; S69-D72 VanDerWaalsContact CB-OD2 3.29Å; S69-D72 WeakPolarHBondContact CB-OD2 3.43Å; S69-D72 PolarHBondContact N-OD2 3.03Å; S69-D72 PolarHBondContact O-N 2.84Å; S69-D72 PolarHBondContact OG-N 2.71Å; S69-D72 VanDerWaalsContact OG-N 3.14Å; S69-D72 PolarHBondContact OG-OD2 3.23Å; S69-I73 PolarHBondContact O-N 2.9Å; S69-I73 VanDerWaalsContact O-N 3.14Å
70Q92.1Very high88Confident14 Ų1457.6 Ų57.67%0.06535%0.35CS..Hα-helixtrans-62.4-29.9173.2-163.764.6-7.800112.6E60 R64 R74 D136E60-Q70 VanDerWaalsContact CD-NE2 3.27Å; E60-Q70 PolarHBondContact OE2-NE2 2.63Å; R64-Q70 VanDerWaalsContact NH1-CD 3.34Å; Q70-R74 WeakPolarHBondContact O-CB 3.43Å; Q70-R74 WeakPolarHBondContact O-CG 3.46Å; Q70-R74 PolarHBondContact O-N 2.95Å; Q70-R74 VanDerWaalsContact O-N 3.11Å; Q70-D136 HydrophobicContact CB-CB 4.43Å; Q70-D136 HydrophobicContact CG-CB 4.2Å
71D93.8Very high88.3Confident4 Ų455.2 Ų55.22%0.02134%0.339CS..Hα-helixtrans-66.3-43.9176.4-63.35.3000109.5S69 R74 M75 Y99 K103 R138S69-D71 PolarHBondContact O-N 3.01Å; S69-D71 PolarHBondContact OG-N 2.82Å; D71-R74 PolarHBondContact O-N 3.02Å; D71-M75 VanDerWaalsContact O-CG 3.32Å; D71-M75 WeakPolarHBondContact O-CG 3.37Å; D71-M75 PolarHBondContact O-N 3.31Å; D71-Y99 WeakPolarHBondContact CA-OH 3.41Å; D71-Y99 HydrophobicContact CB-CE1 3.71Å; D71-Y99 PolarHBondContact OD1-OH 2.79Å; D71-K103 IonicContact OD1-NZ 3.79Å; D71-K103 PolarHBondContact OD1-NZ 2.91Å; D71-K103 VanDerWaalsContact OD1-NZ 3.11Å; D71-K103 IonicContact OD2-NZ 3.89Å; D71-K103 PolarHBondContact OD2-NZ 2.88Å; D71-K103 VanDerWaalsContact OD2-NZ 3.09Å; D71-R138 IonicContact OD2-CZ 3.18Å; D71-R138 VanDerWaalsContact OD2-CZ 3.3Å; D71-R138 IonicContact OD2-NH1 2.71Å; D71-R138 PolarHBondContact OD2-NH1 3.01Å; D71-R138 IonicContact OD2-NH2 2.75Å; D71-R138 PolarHBondContact OD2-NH2 3.19Å
72D93Very high89.2Confident66 Ų6652.1 Ų52.135%0.35332%0.318SS..Hα-helixtrans-61.4-47.3177.6-58.1-45.9000112.1T68 S69 R74 M75 C76T68-D72 HydrophobicContact CG2-CB 3.81Å; S69-D72 VanDerWaalsContact CB-OD2 3.29Å; S69-D72 WeakPolarHBondContact CB-OD2 3.43Å; S69-D72 PolarHBondContact N-OD2 3.03Å; S69-D72 PolarHBondContact O-N 2.84Å; S69-D72 PolarHBondContact OG-N 2.71Å; S69-D72 VanDerWaalsContact OG-N 3.14Å; S69-D72 PolarHBondContact OG-OD2 3.23Å; D72-R74 VanDerWaalsContact C-N 3.29Å; D72-R74 PolarHBondContact O-N 3.29Å; D72-M75 HydrophobicContact CB-CE 4.44Å; D72-M75 PolarHBondContact O-N 3.24Å; D72-M75 VanDerWaalsContact OD1-CE 3.31Å; D72-M75 WeakPolarHBondContact OD1-CE 3.32Å; D72-C76 PolarHBondContact O-N 2.85Å; D72-C76 PolarHBondContact O-SG 3.38Å
73I93.8Very high90.3Very high28 Ų2848.9 Ų48.914%0.14430%0.299CS..Hα-helixtrans-56.9-45.9177.3-71.5166.7000110.6R64 T68 S69 C76 H77R64-I73 HydrophobicContact CB-CD1 4.24Å; R64-I73 HydrophobicContact CG-CD1 3.65Å; T68-I73 HydrophobicContact CG2-CD1 4.19Å; T68-I73 HydrophobicContact CG2-CG1 3.66Å; S69-I73 PolarHBondContact O-N 2.9Å; S69-I73 VanDerWaalsContact O-N 3.14Å; I73-C76 WeakPolarHBondContact O-CB 3.44Å; I73-C76 PolarHBondContact O-N 3.16Å; I73-H77 WeakPolarHBondContact CG2-CE1 3.22Å; I73-H77 VanDerWaalsContact O-CG 3.31Å; I73-H77 PolarHBondContact O-N 2.81Å; I73-H77 PolarHBondContact O-ND1 3.42Å
74R95.6Very high91.3Very high26 Ų2647 Ų4710%0.09829%0.286CS..Hα-helixtrans-75-27.8-177.5-70.7177.8175.6163.10.3113.2L57 E60 Q70 D71 D72 H77 W78 Y99 T139L57-R74 HydrophobicContact CD2-CG 3.84Å; E60-R74 WeakPolarHBondContact OE1-CG 3.48Å; E60-R74 IonicContact OE1-CZ 3.67Å; E60-R74 IonicContact OE1-NE 3.46Å; E60-R74 PolarHBondContact OE1-NE 3.02Å; E60-R74 IonicContact OE1-NH2 3.81Å; E60-R74 IonicContact OE2-CZ 2.99Å; E60-R74 IonicContact OE2-NE 3.9Å; E60-R74 PolarHBondContact OE2-NE 3.23Å; E60-R74 IonicContact OE2-NH2 3.09Å; E60-R74 PolarHBondContact OE2-NH2 3.05Å; Q70-R74 WeakPolarHBondContact O-CB 3.43Å; Q70-R74 WeakPolarHBondContact O-CG 3.46Å; Q70-R74 PolarHBondContact O-N 2.95Å; Q70-R74 VanDerWaalsContact O-N 3.11Å; D71-R74 PolarHBondContact O-N 3.02Å; D72-R74 VanDerWaalsContact C-N 3.29Å; D72-R74 PolarHBondContact O-N 3.29Å; R74-H77 PolarHBondContact O-N 3.46Å; R74-W78 VanDerWaalsContact O-CD1 3.32Å; R74-W78 PolarHBondContact O-N 3.14Å; R74-Y99 HydrophobicContact CB-CD2 3.52Å; R74-Y99 HydrophobicContact CB-CE2 3.31Å; R74-Y99 HydrophobicContact CG-CE2 4.23Å; R74-T139 PolarHBondContact NH1-OG1 3.1Å
75M95.8Very high92.2Very high38 Ų3845.4 Ų45.419%0.18728%0.284CS..Hα-helixtrans-63.8-42.9166.2-72.2-173.1-67.500110.9D71 D72 H77 W78 A79 Y99 Y100D71-M75 VanDerWaalsContact O-CG 3.32Å; D71-M75 WeakPolarHBondContact O-CG 3.37Å; D71-M75 PolarHBondContact O-N 3.31Å; D72-M75 HydrophobicContact CB-CE 4.44Å; D72-M75 PolarHBondContact O-N 3.24Å; D72-M75 VanDerWaalsContact OD1-CE 3.31Å; D72-M75 WeakPolarHBondContact OD1-CE 3.32Å; M75-H77 PolarHBondContact O-N 3.47Å; M75-W78 PolarHBondContact O-N 3.49Å; M75-A79 PolarHBondContact O-N 3.22Å; M75-Y99 HydrophobicContact CG-CD1 3.54Å; M75-Y99 HydrophobicContact CG-CE1 4.38Å; M75-Y99 HydrophobicContact CG-CG 3.68Å; M75-Y99 HydrophobicContact SD-CD1 4.27Å; M75-Y100 HydrophobicContact SD-CE2 4.05Å
76C94.3Very high92.7Very high68 Ų6844.2 Ų44.246%0.45928%0.275SS..Hα-helixtrans-60.9-42.7173.2-69.80000112D72 I73 W78 A79 E80D72-C76 PolarHBondContact O-N 2.85Å; D72-C76 PolarHBondContact O-SG 3.38Å; I73-C76 WeakPolarHBondContact O-CB 3.44Å; I73-C76 PolarHBondContact O-N 3.16Å; C76-W78 VanDerWaalsContact C-N 3.28Å; C76-W78 PolarHBondContact O-N 3.05Å; C76-A79 PolarHBondContact O-N 3.27Å; C76-A79 VanDerWaalsContact O-N 3.11Å; C76-E80 WeakPolarHBondContact O-CB 3.3Å; C76-E80 WeakPolarHBondContact O-CG 3.33Å; C76-E80 PolarHBondContact O-N 3.11Å
77H95.9Very high92.9Very high25 Ų2541.5 Ų41.512%0.11627%0.271CS..Hα-helixtrans-57.2-41176.2-65.2152.4000112.8F53 K56 E60 I73 R74 M75 S81F53-H77 HydrophobicContact CD2-CB 3.72Å; F53-H77 HydrophobicContact CE2-CB 3.89Å; K56-H77 HydrophobicContact CB-CB 4.07Å; K56-H77 HydrophobicContact CD-CB 3.99Å; E60-H77 IonicContact OE1-CE1 3.93Å; E60-H77 PolarHBondContact OE1-CE1 3.01Å; E60-H77 IonicContact OE1-ND1 2.76Å; E60-H77 PolarHBondContact OE1-ND1 2.93Å; I73-H77 WeakPolarHBondContact CG2-CE1 3.22Å; I73-H77 VanDerWaalsContact O-CG 3.31Å; I73-H77 PolarHBondContact O-N 2.81Å; I73-H77 PolarHBondContact O-ND1 3.42Å; R74-H77 PolarHBondContact O-N 3.46Å; M75-H77 PolarHBondContact O-N 3.47Å; H77-S81 VanDerWaalsContact O-CB 3.28Å; H77-S81 WeakPolarHBondContact O-CB 3.14Å; H77-S81 PolarHBondContact O-N 3.2Å; H77-S81 PolarHBondContact O-OG 2.61Å
78W97.3Very high92.5Very high0 Ų039.1 Ų39.10%025%0.247CC..Hα-helixtrans-65.2-47.8173.7-84.7109.6000111.8L28 T31 L35 I49 F53 R74 M75 C76 E80 S81 I82 A95 C98 W102L28-W78 HydrophobicContact CD2-CH2 3.65Å; L28-W78 HydrophobicContact CD2-CZ2 3.71Å; T31-W78 HydrophobicContact CG2-CH2 3.51Å; T31-W78 HydrophobicContact CG2-CZ2 3.7Å; T31-W78 HydrophobicContact CG2-CZ3 4.06Å; L35-W78 HydrophobicContact CD1-CE3 4.43Å; L35-W78 HydrophobicContact CD1-CZ3 3.75Å; I49-W78 HydrophobicContact CG2-CE3 4.26Å; I49-W78 HydrophobicContact CG2-CZ3 4.03Å; F53-W78 HydrophobicContact CB-CE3 4.42Å; F53-W78 HydrophobicContact CB-CZ3 4.4Å; F53-W78 AromaticContact CD1-CE2 3.86Å; F53-W78 HydrophobicContact CD1-CH2 4.13Å; F53-W78 AromaticContact CD1-CZ2 3.65Å; F53-W78 HydrophobicContact CD1-CZ2 3.65Å; F53-W78 AromaticContact CD2-CD1 3.73Å; F53-W78 AromaticContact CD2-CD2 3.81Å; F53-W78 HydrophobicContact CD2-CD2 3.81Å; F53-W78 AromaticContact CD2-CE2 3.73Å; F53-W78 HydrophobicContact CD2-CE3 4.48Å; F53-W78 AromaticContact CD2-CG 3.84Å; F53-W78 HydrophobicContact CD2-CG 3.84Å; F53-W78 HydrophobicContact CD2-CZ2 4.35Å; F53-W78 AromaticContact CD2-NE1 3.68Å; F53-W78 AromaticContact CE1-CE2 3.82Å; F53-W78 AromaticContact CE1-CZ2 3.73Å; F53-W78 HydrophobicContact CE1-CZ2 3.73Å; F53-W78 AromaticContact CE1-NE1 3.75Å; F53-W78 AromaticContact CE2-CD1 3.33Å; F53-W78 HydrophobicContact CE2-CD2 4.13Å; F53-W78 AromaticContact CE2-CE2 3.73Å; F53-W78 AromaticContact CE2-CG 3.92Å; F53-W78 HydrophobicContact CE2-CG 3.92Å; F53-W78 HydrophobicContact CE2-CZ2 4.45Å; F53-W78 AromaticContact CE2-NE1 3.2Å; F53-W78 HydrophobicContact CG-CD2 4.05Å; F53-W78 AromaticContact CG-CE2 3.81Å; F53-W78 HydrophobicContact CG-CE3 4.38Å; F53-W78 HydrophobicContact CG-CH2 4.29Å; F53-W78 AromaticContact CG-CZ2 3.96Å; F53-W78 HydrophobicContact CG-CZ2 3.96Å; F53-W78 HydrophobicContact CG-CZ3 4.48Å; F53-W78 AromaticContact CZ-CD1 3.85Å; F53-W78 AromaticContact CZ-CE2 3.76Å; F53-W78 HydrophobicContact CZ-CZ2 4.16Å; F53-W78 AromaticContact CZ-NE1 3.23Å; R74-W78 VanDerWaalsContact O-CD1 3.32Å; R74-W78 PolarHBondContact O-N 3.14Å; M75-W78 PolarHBondContact O-N 3.49Å; C76-W78 VanDerWaalsContact C-N 3.28Å; C76-W78 PolarHBondContact O-N 3.05Å; W78-E80 PolarHBondContact O-N 2.99Å; W78-S81 PolarHBondContact O-N 3.43Å; W78-I82 WeakPolarHBondContact O-CD1 3.29Å; W78-I82 VanDerWaalsContact O-CG1 3.23Å; W78-I82 WeakPolarHBondContact O-CG1 3.37Å; W78-I82 PolarHBondContact O-N 2.99Å; W78-A95 HydrophobicContact CB-CB 4.05Å; W78-C98 HydrophobicContact CD2-CB 3.7Å; W78-C98 HydrophobicContact CE3-CB 3.9Å; W78-C98 HydrophobicContact CG-CB 3.99Å; W78-C98 HydrophobicContact CZ3-CB 4.42Å; W78-W102 HydrophobicContact CZ2-CB 4.15Å; W78-W102 HydrophobicContact CZ2-CG 4.3Å
79A96Very high91.6Very high28 Ų2842.3 Ų42.323%0.23127%0.271CS..Hα-helixtrans-58.2-47.2-179.800000111.8M75 C76 I82 A83 A90 A95M75-A79 PolarHBondContact O-N 3.22Å; C76-A79 PolarHBondContact O-N 3.27Å; C76-A79 VanDerWaalsContact O-N 3.11Å; A79-I82 PolarHBondContact O-N 3.09Å; A79-A83 VanDerWaalsContact O-CB 3.29Å; A79-A83 WeakPolarHBondContact O-CB 3.36Å; A79-A83 PolarHBondContact O-N 2.71Å; A79-A90 HydrophobicContact CB-CB 4.27Å; A79-A90 WeakPolarHBondContact O-CB 3.39Å; A79-A95 HydrophobicContact CB-CB 3.67Å
80E95.5Very high90.3Very high88 Ų8841.1 Ų41.141%0.41126%0.264SS..Hα-helixtrans-63.3-45.9177.1-70.7173.5-174.900111.7K56 C76 W78 I82 A83 E84K56-E80 HydrophobicContact CD-CB 4.44Å; K56-E80 WeakPolarHBondContact CE-OE2 3.35Å; K56-E80 IonicContact NZ-OE2 2.71Å; K56-E80 PolarHBondContact NZ-OE2 3.26Å; C76-E80 WeakPolarHBondContact O-CB 3.3Å; C76-E80 WeakPolarHBondContact O-CG 3.33Å; C76-E80 PolarHBondContact O-N 3.11Å; W78-E80 PolarHBondContact O-N 2.99Å; E80-I82 VanDerWaalsContact C-N 3.3Å; E80-I82 PolarHBondContact O-N 3.41Å; E80-A83 PolarHBondContact O-N 3.26Å; E80-E84 VanDerWaalsContact O-CB 3.29Å; E80-E84 WeakPolarHBondContact O-CB 3.35Å; E80-E84 WeakPolarHBondContact O-CG 3.45Å; E80-E84 PolarHBondContact O-N 2.96Å
81S96.8Very high89.2Confident0 Ų043.3 Ų43.30%029%0.285CS..Hα-helixtrans-62.5-39.2-178.9-57.70000112.1I49 F53 K56 H77 W78 T85I49-S81 WeakPolarHBondContact O-CB 3.45Å; F53-S81 WeakPolarHBondContact CA-OG 3.47Å; F53-S81 PolarHBondContact N-OG 3.21Å; F53-S81 VanDerWaalsContact N-OG 3.17Å; K56-S81 WeakPolarHBondContact CE-OG 3.36Å; H77-S81 VanDerWaalsContact O-CB 3.28Å; H77-S81 WeakPolarHBondContact O-CB 3.14Å; H77-S81 PolarHBondContact O-N 3.2Å; H77-S81 PolarHBondContact O-OG 2.61Å; W78-S81 PolarHBondContact O-N 3.43Å; S81-T85 WeakPolarHBondContact O-CB 3.29Å; S81-T85 PolarHBondContact O-N 2.93Å; S81-T85 PolarHBondContact O-OG1 2.94Å
82I95.3Very high88.3Confident2 Ų247.8 Ų47.81%0.0132%0.316CS..Hα-helixtrans-66-48.6174.1-66164000109.9L35 L39 I49 W78 A79 E80 T85 T86 A90 L94L35-I82 HydrophobicContact CD2-CD1 3.69Å; L35-I82 HydrophobicContact CD2-CG1 3.83Å; L39-I82 HydrophobicContact CD1-CG2 3.85Å; I49-I82 HydrophobicContact CD1-CG1 4.4Å; I49-I82 HydrophobicContact CG2-CG1 3.78Å; W78-I82 WeakPolarHBondContact O-CD1 3.29Å; W78-I82 VanDerWaalsContact O-CG1 3.23Å; W78-I82 WeakPolarHBondContact O-CG1 3.37Å; W78-I82 PolarHBondContact O-N 2.99Å; A79-I82 PolarHBondContact O-N 3.09Å; E80-I82 VanDerWaalsContact C-N 3.3Å; E80-I82 PolarHBondContact O-N 3.41Å; I82-T85 PolarHBondContact O-N 2.91Å; I82-T86 HydrophobicContact CG2-CG2 4.36Å; I82-T86 WeakPolarHBondContact O-CB 3.49Å; I82-T86 WeakPolarHBondContact O-CG2 3.18Å; I82-T86 PolarHBondContact O-N 3.42Å; I82-T86 PolarHBondContact O-OG1 3.47Å; I82-A90 HydrophobicContact CB-CB 3.79Å; I82-A90 HydrophobicContact CD1-CB 4.39Å; I82-A90 HydrophobicContact CG2-CB 3.66Å; I82-L94 HydrophobicContact CD1-CD2 4.37Å; I82-L94 HydrophobicContact CD1-CG 4.32Å
83A94.6Very high88.1Confident29 Ų2950.3 Ų50.324%0.2433%0.33CS..Hα-helixtrans-65.4-45.3-175.600000112.8A79 E80 T85 T86 G87 G88A79-A83 VanDerWaalsContact O-CB 3.29Å; A79-A83 WeakPolarHBondContact O-CB 3.36Å; A79-A83 PolarHBondContact O-N 2.71Å; E80-A83 PolarHBondContact O-N 3.26Å; A83-T85 PolarHBondContact O-N 3.15Å; A83-T86 PolarHBondContact O-N 3.36Å; A83-G87 WeakPolarHBondContact O-CA 3.25Å; A83-G87 PolarHBondContact O-N 3.03Å; A83-G88 WeakPolarHBondContact CA-O 3.49Å; A83-G88 WeakPolarHBondContact CB-O 3.37Å
84E94.6Very high88Confident101 Ų10149.6 Ų49.647%0.47233%0.326SS..Hα-helixtrans-60-28.5176.7-73.6173-157.700112.9K52 K56 E80K52-E84 HydrophobicContact CD-CB 4.28Å; K52-E84 IonicContact NZ-OE2 2.67Å; K52-E84 PolarHBondContact NZ-OE2 3.3Å; K56-E84 WeakPolarHBondContact CE-OE1 3.15Å; K56-E84 IonicContact NZ-OE1 3.17Å; K56-E84 PolarHBondContact NZ-OE1 3.31Å; E80-E84 VanDerWaalsContact O-CB 3.29Å; E80-E84 WeakPolarHBondContact O-CB 3.35Å; E80-E84 WeakPolarHBondContact O-CG 3.45Å; E80-E84 PolarHBondContact O-N 2.96Å
85T94.1Very high88Confident38 Ų3848.5 Ų48.523%0.23332%0.323CS..Hα-helixtrans-92.6-37.1-177-490000112T45 I49 K52 S81 I82 A83T45-T85 HydrophobicContact CG2-CG2 3.72Å; I49-T85 HydrophobicContact CG1-CG2 3.87Å; K52-T85 VanDerWaalsContact CD-OG1 3.27Å; K52-T85 WeakPolarHBondContact CD-OG1 3.48Å; K52-T85 WeakPolarHBondContact CE-OG1 3.31Å; S81-T85 WeakPolarHBondContact O-CB 3.29Å; S81-T85 PolarHBondContact O-N 2.93Å; S81-T85 PolarHBondContact O-OG1 2.94Å; I82-T85 PolarHBondContact O-N 2.91Å; A83-T85 PolarHBondContact O-N 3.15Å
86T90.2Very high88Confident58 Ų5848.3 Ų48.336%0.35633%0.325SS..Hα-helixtrans-93.7-12.4-17560.50000113.6L39 L41 I49 I82 A83 G88L39-T86 HydrophobicContact CD1-CG2 4.46Å; L41-T86 HydrophobicContact CD1-CG2 4.4Å; L41-T86 HydrophobicContact CD2-CG2 4.26Å; I49-T86 HydrophobicContact CD1-CG2 4.47Å; I82-T86 HydrophobicContact CG2-CG2 4.36Å; I82-T86 WeakPolarHBondContact O-CB 3.49Å; I82-T86 WeakPolarHBondContact O-CG2 3.18Å; I82-T86 PolarHBondContact O-N 3.42Å; I82-T86 PolarHBondContact O-OG1 3.47Å; A83-T86 PolarHBondContact O-N 3.36Å; T86-G88 PolarHBondContact O-N 3.23Å
87G82.3Confident88.1Confident77 Ų7748.8 Ų48.879%0.79432%0.321SS*.SBendtrans71.36.5-176.800000114.3A83A83-G87 WeakPolarHBondContact O-CA 3.25Å; A83-G87 PolarHBondContact O-N 3.03Å
88G75.1Confident88.1Confident37 Ų3747.6 Ų47.638%0.38132%0.315SS..SBendtrans-116.8166.8178.400000112.7A83 T86 A90A83-G88 WeakPolarHBondContact CA-O 3.49Å; A83-G88 WeakPolarHBondContact CB-O 3.37Å; T86-G88 PolarHBondContact O-N 3.23Å; G88-A90 PolarHBondContact O-N 3.38Å
89S67.4Low88.1Confident122 Ų12247.7 Ų47.785%0.85332%0.315SS*.PPolyproline II helixtrans-70.4121.4168.5178.10000108.9A91S89-A91 PolarHBondContact O-N 3.22Å
90A63.4Low88.2Confident14 Ų1450.8 Ų50.812%0.11632%0.322CS..PPolyproline II helixtrans-62.6126.9169.200000108.7A79 I82 G88 S92A79-A90 HydrophobicContact CB-CB 4.27Å; A79-A90 WeakPolarHBondContact O-CB 3.39Å; I82-A90 HydrophobicContact CB-CB 3.79Å; I82-A90 HydrophobicContact CD1-CB 4.39Å; I82-A90 HydrophobicContact CG2-CB 3.66Å; G88-A90 PolarHBondContact O-N 3.38Å; A90-S92 PolarHBondContact O-N 3.07Å
91A69.1Low88.3Confident61 Ų6148.3 Ų48.350%0.50431%0.311SS..PPolyproline II helixtrans-57.9125.2170.800000108.6S89 D93 L94 A95S89-A91 PolarHBondContact O-N 3.22Å; A91-D93 PolarHBondContact O-N 3.46Å; A91-L94 HydrophobicContact CB-CB 4.49Å; A91-L94 PolarHBondContact O-N 3.13Å; A91-A95 PolarHBondContact O-N 3.44Å
92S74.5Confident88.4Confident98 Ų9848.8 Ų48.869%0.68531%0.313SS*.Hα-helixtrans-48.5-36.3-179.7-174.40000112A90 L94 S96A90-S92 PolarHBondContact O-N 3.07Å; S92-L94 PolarHBondContact O-N 3.36Å; S92-S96 PolarHBondContact O-N 3.33Å; S92-S96 VanDerWaalsContact O-N 3.16Å
93D88.8Confident88.5Confident118 Ų11849.3 Ų49.363%0.63132%0.315SS*.Hα-helixtrans-66.3-35.7178.9-63.6-14.4000113.5A91 Q97A91-D93 PolarHBondContact O-N 3.46Å; D93-Q97 WeakPolarHBondContact O-CB 3.2Å; D93-Q97 WeakPolarHBondContact O-CG 3.24Å; D93-Q97 PolarHBondContact O-N 2.98Å; D93-Q97 PolarHBondContact O-NE2 3.15Å
94L92.4Very high88.7Confident13 Ų1351.7 Ų51.77%0.06832%0.324CS..Hα-helixtrans-71.6-43.6179.5-18059.6000110.8I34 L35 K38 L39 I82 A91 S92 S96 Q97 C98I34-L94 HydrophobicContact CG2-CD1 4.09Å; L35-L94 HydrophobicContact CD2-CD2 4.23Å; L35-L94 HydrophobicContact CD2-CG 4.49Å; K38-L94 HydrophobicContact CB-CD1 4.33Å; K38-L94 HydrophobicContact CD-CD1 3.63Å; L39-L94 HydrophobicContact CD1-CD2 3.66Å; L39-L94 HydrophobicContact CD2-CD2 3.77Å; L39-L94 HydrophobicContact CG-CD2 3.69Å; I82-L94 HydrophobicContact CD1-CD2 4.37Å; I82-L94 HydrophobicContact CD1-CG 4.32Å; A91-L94 HydrophobicContact CB-CB 4.49Å; A91-L94 PolarHBondContact O-N 3.13Å; S92-L94 PolarHBondContact O-N 3.36Å; L94-S96 VanDerWaalsContact C-N 3.33Å; L94-S96 PolarHBondContact O-N 3.11Å; L94-Q97 PolarHBondContact O-N 3.18Å; L94-C98 WeakPolarHBondContact O-CB 3.44Å; L94-C98 PolarHBondContact O-N 3.31Å; L94-C98 PolarHBondContact O-SG 3.45Å; L94-C98 VanDerWaalsContact O-SG 3.32Å
95A94.4Very high88.8Confident3 Ų347.1 Ų47.13%0.02530%0.303CS..Hα-helixtrans-60.9-43.3177.800000111.7W78 A79 A91 C98 Y99W78-A95 HydrophobicContact CB-CB 4.05Å; A79-A95 HydrophobicContact CB-CB 3.67Å; A91-A95 PolarHBondContact O-N 3.44Å; A95-C98 PolarHBondContact O-N 3.36Å; A95-Y99 WeakPolarHBondContact O-CB 3.28Å; A95-Y99 PolarHBondContact O-N 3.29Å
96S95.4Very high89Confident35 Ų3546.7 Ų46.725%0.24530%0.297CS..Hα-helixtrans-60.4-45.8173.6178.40000112S92 L94 C98 Y99 Y100S92-S96 PolarHBondContact O-N 3.33Å; S92-S96 VanDerWaalsContact O-N 3.16Å; L94-S96 VanDerWaalsContact C-N 3.33Å; L94-S96 PolarHBondContact O-N 3.11Å; S96-C98 PolarHBondContact O-N 3.14Å; S96-Y99 WeakPolarHBondContact O-CB 3.36Å; S96-Y99 PolarHBondContact O-N 2.95Å; S96-Y100 WeakPolarHBondContact O-CD2 3.37Å; S96-Y100 PolarHBondContact O-N 3.25Å; S96-Y100 WeakPolarHBondContact OG-CD2 3.46Å; S96-Y100 WeakPolarHBondContact OG-CE2 3.07Å
97Q96.2Very high89.3Confident78 Ų7845.4 Ų45.436%0.36429%0.288SS..Hα-helixtrans-61.7-44176.5-75.5167.562.900112.7D93 L94 Y99 L101D93-Q97 WeakPolarHBondContact O-CB 3.2Å; D93-Q97 WeakPolarHBondContact O-CG 3.24Å; D93-Q97 PolarHBondContact O-N 2.98Å; D93-Q97 PolarHBondContact O-NE2 3.15Å; L94-Q97 PolarHBondContact O-N 3.18Å; Q97-Y99 VanDerWaalsContact C-N 3.33Å; Q97-L101 WeakPolarHBondContact O-CB 3.34Å; Q97-L101 PolarHBondContact O-N 2.83Å
98C97Very high90.1Very high0 Ų048.6 Ų48.60%028%0.282CS..Hα-helixtrans-60.4-45.2175.1-71.30000111.1T31 W78 L94 A95 S96 W102T31-C98 HydrophobicContact CG2-CB 3.55Å; W78-C98 HydrophobicContact CD2-CB 3.7Å; W78-C98 HydrophobicContact CE3-CB 3.9Å; W78-C98 HydrophobicContact CG-CB 3.99Å; W78-C98 HydrophobicContact CZ3-CB 4.42Å; L94-C98 WeakPolarHBondContact O-CB 3.44Å; L94-C98 PolarHBondContact O-N 3.31Å; L94-C98 PolarHBondContact O-SG 3.45Å; L94-C98 VanDerWaalsContact O-SG 3.32Å; A95-C98 PolarHBondContact O-N 3.36Å; S96-C98 PolarHBondContact O-N 3.14Å; C98-W102 VanDerWaalsContact O-CB 3.23Å; C98-W102 WeakPolarHBondContact O-CB 3.42Å; C98-W102 PolarHBondContact O-N 2.87Å
99Y97.6Very high91.1Very high1 Ų150.8 Ų50.80%0.00429%0.285CS..Hα-helixtrans-59.9-54.6177.8172.7-108000112.6D71 R74 M75 A95 S96 Q97 L101 W102 K103D71-Y99 WeakPolarHBondContact CA-OH 3.41Å; D71-Y99 HydrophobicContact CB-CE1 3.71Å; D71-Y99 PolarHBondContact OD1-OH 2.79Å; R74-Y99 HydrophobicContact CB-CD2 3.52Å; R74-Y99 HydrophobicContact CB-CE2 3.31Å; R74-Y99 HydrophobicContact CG-CE2 4.23Å; M75-Y99 HydrophobicContact CG-CD1 3.54Å; M75-Y99 HydrophobicContact CG-CE1 4.38Å; M75-Y99 HydrophobicContact CG-CG 3.68Å; M75-Y99 HydrophobicContact SD-CD1 4.27Å; A95-Y99 WeakPolarHBondContact O-CB 3.28Å; A95-Y99 PolarHBondContact O-N 3.29Å; S96-Y99 WeakPolarHBondContact O-CB 3.36Å; S96-Y99 PolarHBondContact O-N 2.95Å; Q97-Y99 VanDerWaalsContact C-N 3.33Å; Y99-L101 PolarHBondContact O-N 2.95Å; Y99-W102 HydrophobicContact CD2-CE3 4.32Å; Y99-W102 HydrophobicContact CE2-CE3 4.31Å; Y99-W102 HydrophobicContact CE2-CZ3 4.22Å; Y99-W102 PolarHBondContact O-N 2.9Å; Y99-K103 HydrophobicContact CE1-CD 4.08Å; Y99-K103 HydrophobicContact CE2-CB 4.49Å; Y99-K103 VanDerWaalsContact O-CB 3.31Å; Y99-K103 WeakPolarHBondContact O-CB 3.42Å; Y99-K103 PolarHBondContact O-N 2.92Å; Y99-K103 WeakPolarHBondContact OH-CD 3.31Å
100Y97.9Very high92.5Very high94 Ų9445.1 Ų45.137%0.36925%0.245SC..Hα-helixtrans-67.6-35.9-177.4-75.9-66.9000112.4M75 S96 K103 N104M75-Y100 HydrophobicContact SD-CE2 4.05Å; S96-Y100 WeakPolarHBondContact O-CD2 3.37Å; S96-Y100 PolarHBondContact O-N 3.25Å; S96-Y100 WeakPolarHBondContact OG-CD2 3.46Å; S96-Y100 WeakPolarHBondContact OG-CE2 3.07Å; Y100-K103 PolarHBondContact O-N 2.71Å; Y100-N104 WeakPolarHBondContact O-CB 3.08Å; Y100-N104 PolarHBondContact O-N 3.25Å; Y100-N104 PolarHBondContact O-ND2 3.34Å
101L98.1Very high94Very high36 Ų3648 Ų4819%0.18826%0.264CS..Hα-helixtrans-62.3-47.9173.1177.962.3000111K30 I34 Q97 Y99 S105K30-L101 HydrophobicContact CD-CD1 3.93Å; K30-L101 HydrophobicContact CG-CD1 4.31Å; K30-L101 HydrophobicContact CG-CD2 4.25Å; I34-L101 HydrophobicContact CD1-CD2 3.32Å; I34-L101 HydrophobicContact CG1-CD2 3.77Å; Q97-L101 WeakPolarHBondContact O-CB 3.34Å; Q97-L101 PolarHBondContact O-N 2.83Å; Y99-L101 PolarHBondContact O-N 2.95Å; L101-S105 WeakPolarHBondContact CD1-OG 3.32Å; L101-S105 WeakPolarHBondContact O-CB 3.47Å; L101-S105 PolarHBondContact O-N 2.76Å; L101-S105 PolarHBondContact O-OG 2.8Å
102W98.3Very high95.3Very high9 Ų945.4 Ų45.43%0.03424%0.241CC..Hα-helixtrans-60.4-48.8177.5172.181.3000111.1A27 F53 L57 W78 C98 Y99 R106A27-W102 HydrophobicContact CB-CG 4.28Å; A27-W102 WeakPolarHBondContact CB-O 3.42Å; F53-W102 HydrophobicContact CE1-CD2 4.05Å; F53-W102 AromaticContact CE1-CE2 3.86Å; F53-W102 HydrophobicContact CE1-CE3 4.49Å; F53-W102 HydrophobicContact CE1-CG 4.43Å; F53-W102 HydrophobicContact CE1-CH2 4.49Å; F53-W102 HydrophobicContact CE1-CZ2 4.1Å; F53-W102 HydrophobicContact CZ-CD2 4.16Å; F53-W102 HydrophobicContact CZ-CE3 4.14Å; F53-W102 HydrophobicContact CZ-CH2 4.3Å; F53-W102 HydrophobicContact CZ-CZ2 4.36Å; F53-W102 HydrophobicContact CZ-CZ3 4.22Å; L57-W102 HydrophobicContact CD1-CH2 3.87Å; L57-W102 HydrophobicContact CD1-CZ2 3.71Å; L57-W102 HydrophobicContact CD2-CH2 4.48Å; W78-W102 HydrophobicContact CZ2-CB 4.15Å; W78-W102 HydrophobicContact CZ2-CG 4.3Å; C98-W102 VanDerWaalsContact O-CB 3.23Å; C98-W102 WeakPolarHBondContact O-CB 3.42Å; C98-W102 PolarHBondContact O-N 2.87Å; Y99-W102 HydrophobicContact CD2-CE3 4.32Å; Y99-W102 HydrophobicContact CE2-CE3 4.31Å; Y99-W102 HydrophobicContact CE2-CZ3 4.22Å; Y99-W102 PolarHBondContact O-N 2.9Å; W102-R106 WeakPolarHBondContact O-CG 3.42Å; W102-R106 PolarHBondContact O-N 3.44Å; W102-R106 VanDerWaalsContact O-N 3.11Å
103K98Very high96.4Very high14 Ų1443.6 Ų43.66%0.06123%0.226CC..Hα-helixtrans-58.1-52.5179.6-179-174.4-174.3159.70111.9D71 Y99 Y100 R106 L107 E142D71-K103 IonicContact OD1-NZ 3.79Å; D71-K103 PolarHBondContact OD1-NZ 2.91Å; D71-K103 VanDerWaalsContact OD1-NZ 3.11Å; D71-K103 IonicContact OD2-NZ 3.89Å; D71-K103 PolarHBondContact OD2-NZ 2.88Å; D71-K103 VanDerWaalsContact OD2-NZ 3.09Å; Y99-K103 HydrophobicContact CE1-CD 4.08Å; Y99-K103 HydrophobicContact CE2-CB 4.49Å; Y99-K103 VanDerWaalsContact O-CB 3.31Å; Y99-K103 WeakPolarHBondContact O-CB 3.42Å; Y99-K103 PolarHBondContact O-N 2.92Å; Y99-K103 WeakPolarHBondContact OH-CD 3.31Å; Y100-K103 PolarHBondContact O-N 2.71Å; K103-R106 WeakPolarHBondContact O-CG 3.44Å; K103-L107 HydrophobicContact CG-CD1 4.19Å; K103-L107 VanDerWaalsContact O-CG 3.31Å; K103-L107 WeakPolarHBondContact O-CG 3.45Å; K103-L107 PolarHBondContact O-N 3.33Å; K103-E142 VanDerWaalsContact CE-CD 3.47Å; K103-E142 WeakPolarHBondContact CE-OE1 3.48Å; K103-E142 WeakPolarHBondContact CE-OE2 3.31Å; K103-E142 IonicContact NZ-OE1 2.75Å; K103-E142 PolarHBondContact NZ-OE1 3.02Å; K103-E142 IonicContact NZ-OE2 3.97Å; K103-E142 PolarHBondContact NZ-OE2 3.41Å
104N97.9Very high96.9Very high79 Ų7942.2 Ų42.242%0.42222%0.223SC..Hα-helixtrans-70.7-41.7-174.8-64.7-14.3000111Y100 R106 L107 E108Y100-N104 WeakPolarHBondContact O-CB 3.08Å; Y100-N104 PolarHBondContact O-N 3.25Å; Y100-N104 PolarHBondContact O-ND2 3.34Å; N104-R106 VanDerWaalsContact C-N 3.31Å; N104-R106 PolarHBondContact O-N 2.98Å; N104-L107 PolarHBondContact O-N 2.9Å; N104-L107 VanDerWaalsContact O-N 3.15Å; N104-E108 WeakPolarHBondContact O-CG 2.85Å; N104-E108 PolarHBondContact O-N 2.93Å
105S97.5Very high97.1Very high5 Ų546.7 Ų46.74%0.03524%0.244CC..Hα-helixtrans-66.1-32.9-178.5-52.60000112.8K30 L101 L109K30-S105 VanDerWaalsContact CD-OG 3.3Å; K30-S105 WeakPolarHBondContact CD-OG 3.39Å; K30-S105 PolarHBondContact NZ-OG 3.42Å; L101-S105 WeakPolarHBondContact CD1-OG 3.32Å; L101-S105 WeakPolarHBondContact O-CB 3.47Å; L101-S105 PolarHBondContact O-N 2.76Å; L101-S105 PolarHBondContact O-OG 2.8Å; S105-L109 WeakPolarHBondContact O-CG 3.48Å
106R97.3Very high97.3Very high28 Ų2847 Ų4711%0.10625%0.246CC..Hα-helixtrans-72.3-38.6173.868-178.9-66.2-152.43.3111.6A23 A27 W102 K103 N104 L109 L110A23-R106 HydrophobicContact CB-CB 4.14Å; A27-R106 HydrophobicContact CB-CB 3.89Å; W102-R106 WeakPolarHBondContact O-CG 3.42Å; W102-R106 PolarHBondContact O-N 3.44Å; W102-R106 VanDerWaalsContact O-N 3.11Å; K103-R106 WeakPolarHBondContact O-CG 3.44Å; N104-R106 VanDerWaalsContact C-N 3.31Å; N104-R106 PolarHBondContact O-N 2.98Å; R106-L109 PolarHBondContact O-N 3.16Å; R106-L110 WeakPolarHBondContact O-CG 3.3Å; R106-L110 PolarHBondContact O-N 3.01Å
107L97.9Very high97.5Very high32 Ų3247.8 Ų47.817%0.16824%0.243CC..Hα-helixtrans-64.8-39.3179.1-71.5173.1000111.6K103 N104 L109 L110 E142 K143 A146K103-L107 HydrophobicContact CG-CD1 4.19Å; K103-L107 VanDerWaalsContact O-CG 3.31Å; K103-L107 WeakPolarHBondContact O-CG 3.45Å; K103-L107 PolarHBondContact O-N 3.33Å; N104-L107 PolarHBondContact O-N 2.9Å; N104-L107 VanDerWaalsContact O-N 3.15Å; L107-L109 PolarHBondContact O-N 3.17Å; L107-L109 VanDerWaalsContact O-N 3.11Å; L107-L110 HydrophobicContact CD2-CD1 4.04Å; L107-L110 PolarHBondContact O-N 3.45Å; L107-L110 VanDerWaalsContact O-N 3.09Å; L107-E142 HydrophobicContact CD1-CB 4.2Å; L107-E142 HydrophobicContact CD2-CB 4.24Å; L107-K143 HydrophobicContact CD2-CG 4.09Å; L107-A146 HydrophobicContact CB-CB 4.25Å; L107-A146 HydrophobicContact CD2-CB 4.11Å
108E97Very high97.6Very high143 Ų14348.3 Ų48.367%0.66825%0.248SC*.THydrogen-bonded Turntrans-57.7-23.1175-75169.3-171.800113.8N104N104-E108 WeakPolarHBondContact O-CG 2.85Å; N104-E108 PolarHBondContact O-N 2.93Å
109L96.2Very high97.7Very high84 Ų8448.8 Ų48.844%0.4425%0.251SS..THydrogen-bonded Turntrans-98.6-8.3-178.4-63.9173000113.2A23 V26 S105 R106 L107 C111A23-L109 HydrophobicContact CB-CB 3.84Å; A23-L109 HydrophobicContact CB-CD1 4.39Å; V26-L109 HydrophobicContact CB-CD1 3.65Å; V26-L109 HydrophobicContact CG1-CD1 3.59Å; V26-L109 HydrophobicContact CG2-CD1 4.23Å; S105-L109 WeakPolarHBondContact O-CG 3.48Å; R106-L109 PolarHBondContact O-N 3.16Å; L107-L109 PolarHBondContact O-N 3.17Å; L107-L109 VanDerWaalsContact O-N 3.11Å; L109-C111 PolarHBondContact O-N 3.25Å
110L97.1Very high97.7Very high3 Ų348.8 Ų48.82%0.01625%0.251CS..  trans-79.2109.1178.6-61.7-171.2000109.4V18 T20 A23 R106 L107 K143 A146 A147V18-L110 HydrophobicContact CB-CD2 4.45Å; V18-L110 HydrophobicContact CG2-CD2 4.36Å; T20-L110 HydrophobicContact CG2-CD1 4.44Å; T20-L110 HydrophobicContact CG2-CD2 3.68Å; A23-L110 HydrophobicContact CB-CD2 3.77Å; R106-L110 WeakPolarHBondContact O-CG 3.3Å; R106-L110 PolarHBondContact O-N 3.01Å; L107-L110 HydrophobicContact CD2-CD1 4.04Å; L107-L110 PolarHBondContact O-N 3.45Å; L107-L110 VanDerWaalsContact O-N 3.09Å; L110-K143 HydrophobicContact CD1-CB 3.78Å; L110-K143 HydrophobicContact CD1-CD 4.13Å; L110-K143 HydrophobicContact CD1-CG 3.59Å; L110-A146 HydrophobicContact CB-CB 4.37Å; L110-A146 CarbonylContact O-C 3.46Å; L110-A146 VanDerWaalsContact O-O 3.09Å; L110-A147 WeakPolarHBondContact O-CA 3.44Å
111C95.6Very high97.8Very high75 Ų7550.3 Ų50.351%0.50726%0.256SS..  trans-148149.9173.364.10000110.7L109L109-C111 PolarHBondContact O-N 3.25Å
112L97Very high97.8Very high6 Ų653.9 Ų53.93%0.03127%0.272CS..  trans-75.3133.5164.3-60.6179.1000109.2L17 V18 V116 R117 L120 C149 F152L17-L112 HydrophobicContact CB-CD2 3.84Å; V18-L112 HydrophobicContact CG1-CD2 3.88Å; L112-V116 HydrophobicContact CD2-CG1 3.97Å; L112-R117 HydrophobicContact CB-CG 3.61Å; L112-R117 HydrophobicContact CD1-CG 4.03Å; L112-L120 HydrophobicContact CD1-CD1 3.9Å; L112-C149 HydrophobicContact CD1-CB 3.59Å; L112-C149 HydrophobicContact CD2-CB 4.32Å; L112-C149 HydrophobicContact CG-CB 4.02Å; L112-F152 HydrophobicContact CD1-CD2 3.72Å; L112-F152 HydrophobicContact CD1-CE2 3.63Å; L112-F152 HydrophobicContact CD1-CZ 4.47Å
113T97.1Very high97.8Very high59 Ų5953.6 Ų53.636%0.36227%0.271SS..  trans-65.8156.4170.983.80000110.4E115 V116 R117T113-E115 WeakPolarHBondContact CB-OE2 3.34Å; T113-E115 PolarHBondContact O-N 3.23Å; T113-E115 PolarHBondContact OG1-N 3.32Å; T113-E115 PolarHBondContact OG1-OE2 3.26Å; T113-V116 PolarHBondContact O-N 3.13Å; T113-V116 VanDerWaalsContact O-N 3.15Å; T113-V116 PolarHBondContact OG1-N 3.41Å; T113-R117 WeakPolarHBondContact O-CG 3.37Å; T113-R117 PolarHBondContact O-N 3.15Å
114P98.1Very high97.8Very high89 Ų8958.2 Ų58.258%0.57829%0.288SS*.Hα-helixtrans-52.4-41.2176.1-27.636.4000113.1V116 R117 D118P114-V116 PolarHBondContact O-N 2.88Å; P114-R117 PolarHBondContact O-N 3.07Å; P114-D118 PolarHBondContact O-N 3.13Å
115E98.3Very high97.7Very high107 Ų10757.8 Ų57.850%0.530%0.302SS..Hα-helixtrans-65.2-40.8-180-54.877.9-171.600111.8T113 D118 L119 L233T113-E115 WeakPolarHBondContact CB-OE2 3.34Å; T113-E115 PolarHBondContact O-N 3.23Å; T113-E115 PolarHBondContact OG1-N 3.32Å; T113-E115 PolarHBondContact OG1-OE2 3.26Å; E115-D118 PolarHBondContact O-N 3.02Å; E115-L119 WeakPolarHBondContact O-CB 3.42Å; E115-L119 PolarHBondContact O-N 2.92Å; E115-L233 HydrophobicContact CB-CD1 3.99Å; E115-L233 HydrophobicContact CB-CD2 3.96Å
116V98.4Very high97.7Very high10 Ų1063.5 Ų63.56%0.06133%0.328CS..Hα-helixtrans-68.2-39.9176.11760000110.7L17 L112 T113 P114 D118 L119 L120 V232 L233L17-V116 HydrophobicContact CD2-CG1 3.97Å; L112-V116 HydrophobicContact CD2-CG1 3.97Å; T113-V116 PolarHBondContact O-N 3.13Å; T113-V116 VanDerWaalsContact O-N 3.15Å; T113-V116 PolarHBondContact OG1-N 3.41Å; P114-V116 PolarHBondContact O-N 2.88Å; V116-D118 VanDerWaalsContact C-N 3.33Å; V116-D118 PolarHBondContact O-N 2.76Å; V116-L119 PolarHBondContact O-N 2.87Å; V116-L120 HydrophobicContact CG1-CD1 4.13Å; V116-L120 HydrophobicContact CG1-CG 4.39Å; V116-L120 WeakPolarHBondContact O-CG 3.27Å; V116-L120 PolarHBondContact O-N 2.85Å; V116-V232 HydrophobicContact CG1-CG1 4.49Å; V116-V232 HydrophobicContact CG2-CG1 3.94Å; V116-L233 HydrophobicContact CG2-CD2 4.01Å
117R98.6Very high97.7Very high51 Ų5163.1 Ų63.119%0.19233%0.327CS..Hα-helixtrans-60-44.3174.7-69.1-175.6176.3-131.38.1111L112 T113 P114 L120 R121 E148 F152L112-R117 HydrophobicContact CB-CG 3.61Å; L112-R117 HydrophobicContact CD1-CG 4.03Å; T113-R117 WeakPolarHBondContact O-CG 3.37Å; T113-R117 PolarHBondContact O-N 3.15Å; P114-R117 PolarHBondContact O-N 3.07Å; R117-L120 PolarHBondContact O-N 3.23Å; R117-R121 WeakPolarHBondContact O-CG 3.32Å; R117-R121 PolarHBondContact O-N 2.97Å; R117-R121 VanDerWaalsContact O-N 3.07Å; R117-E148 IonicContact CZ-OE2 2.78Å; R117-E148 IonicContact NH1-OE2 3.32Å; R117-E148 IonicContact NH2-OE2 3.78Å; R117-E148 PolarHBondContact NH2-OE2 3.47Å; R117-F152 HydrophobicContact CB-CE1 4.01Å; R117-F152 HydrophobicContact CB-CZ 3.77Å; R117-F152 HydrophobicContact CG-CE1 4.36Å; R117-F152 HydrophobicContact CG-CE2 4.11Å; R117-F152 HydrophobicContact CG-CZ 3.64Å; R117-F152 WeakPolarHBondContact O-CE1 3.26Å
118D98.6Very high97.8Very high89 Ų8965.3 Ų65.348%0.47634%0.335SS..Hα-helixtrans-67-41.7178.9-72.9-17.7000112.3P114 E115 V116 L120 R121 Q122P114-D118 PolarHBondContact O-N 3.13Å; E115-D118 PolarHBondContact O-N 3.02Å; V116-D118 VanDerWaalsContact C-N 3.33Å; V116-D118 PolarHBondContact O-N 2.76Å; D118-L120 PolarHBondContact O-N 3.43Å; D118-R121 PolarHBondContact O-N 2.98Å; D118-R121 IonicContact OD1-CZ 3.11Å; D118-R121 IonicContact OD1-NH1 2.99Å; D118-R121 PolarHBondContact OD1-NH1 2.94Å; D118-Q122 PolarHBondContact O-N 2.9Å
119L98.7Very high97.9Very high11 Ų1158.5 Ų58.56%0.05830%0.303CS..Hα-helixtrans-56.3-51.3172.3174.268.3000111.2E115 V116 R121 Q122 L123 V232 L233 P236E115-L119 WeakPolarHBondContact O-CB 3.42Å; E115-L119 PolarHBondContact O-N 2.92Å; V116-L119 PolarHBondContact O-N 2.87Å; L119-R121 VanDerWaalsContact C-N 3.3Å; L119-R121 PolarHBondContact O-N 2.75Å; L119-Q122 WeakPolarHBondContact O-CB 3.4Å; L119-Q122 PolarHBondContact O-N 3.38Å; L119-Q122 VanDerWaalsContact O-N 3.15Å; L119-L123 HydrophobicContact CD1-CD1 3.87Å; L119-L123 HydrophobicContact CD1-CD2 4.44Å; L119-L123 HydrophobicContact CD1-CG 3.94Å; L119-L123 HydrophobicContact CD2-CD1 4.36Å; L119-L123 HydrophobicContact CG-CD1 3.83Å; L119-L123 HydrophobicContact CG-CG 4.24Å; L119-L123 WeakPolarHBondContact O-CG 3.44Å; L119-L123 PolarHBondContact O-N 3.32Å; L119-V232 HydrophobicContact CD2-CG1 4.39Å; L119-V232 HydrophobicContact CD2-CG2 4.2Å; L119-V232 VanDerWaalsContact CD2-O 3.26Å; L119-V232 WeakPolarHBondContact CD2-O 3.49Å; L119-L233 HydrophobicContact CB-CD2 4.31Å; L119-L233 HydrophobicContact CD2-CD2 4.12Å; L119-P236 HydrophobicContact CD1-CG 3.57Å
120L98.8Very high98Very high0 Ų054.5 Ų54.50%028%0.282CS..Hα-helixtrans-62.2-37.9-178-70173.3000111.8F11 L17 L112 V116 R117 D118 L123 R124 L129 F152 F153F11-L120 HydrophobicContact CD2-CD2 4.47Å; F11-L120 HydrophobicContact CE2-CD2 4.1Å; F11-L120 HydrophobicContact CZ-CD2 4.19Å; L17-L120 HydrophobicContact CD2-CD2 4.47Å; L112-L120 HydrophobicContact CD1-CD1 3.9Å; V116-L120 HydrophobicContact CG1-CD1 4.13Å; V116-L120 HydrophobicContact CG1-CG 4.39Å; V116-L120 WeakPolarHBondContact O-CG 3.27Å; V116-L120 PolarHBondContact O-N 2.85Å; R117-L120 PolarHBondContact O-N 3.23Å; D118-L120 PolarHBondContact O-N 3.43Å; L120-L123 PolarHBondContact O-N 3.32Å; L120-R124 VanDerWaalsContact O-CB 3.31Å; L120-R124 WeakPolarHBondContact O-CB 3.42Å; L120-R124 PolarHBondContact O-N 3.38Å; L120-L129 HydrophobicContact CD2-CD1 4.17Å; L120-L129 WeakPolarHBondContact O-CD1 3.33Å; L120-F152 HydrophobicContact CB-CB 3.92Å; L120-F152 HydrophobicContact CB-CD1 3.77Å; L120-F152 HydrophobicContact CB-CG 3.99Å; L120-F152 HydrophobicContact CD1-CB 3.94Å; L120-F152 HydrophobicContact CD1-CD1 4.47Å; L120-F152 HydrophobicContact CD1-CD2 4.31Å; L120-F152 HydrophobicContact CD1-CG 3.99Å; L120-F152 HydrophobicContact CG-CB 4.49Å; L120-F153 HydrophobicContact CD1-CZ 4.16Å; L120-F153 HydrophobicContact CD2-CE1 4.32Å; L120-F153 HydrophobicContact CD2-CZ 4.2Å
121R98.6Very high98.1Very high127 Ų12754.3 Ų54.348%0.47928%0.281SS..Hα-helixtrans-61.6-46.5172.8-70.3173.7-171.1130.7-0.1111.9R117 D118 L119 R124 G125 F152R117-R121 WeakPolarHBondContact O-CG 3.32Å; R117-R121 PolarHBondContact O-N 2.97Å; R117-R121 VanDerWaalsContact O-N 3.07Å; D118-R121 PolarHBondContact O-N 2.98Å; D118-R121 IonicContact OD1-CZ 3.11Å; D118-R121 IonicContact OD1-NH1 2.99Å; D118-R121 PolarHBondContact OD1-NH1 2.94Å; L119-R121 VanDerWaalsContact C-N 3.3Å; L119-R121 PolarHBondContact O-N 2.75Å; R121-R124 PolarHBondContact O-N 2.95Å; R121-G125 PolarHBondContact O-N 3.28Å; R121-F152 HydrophobicContact CG-CD1 4.05Å; R121-F152 HydrophobicContact CG-CE1 3.79Å
122Q98.4Very high98.2Very high111 Ų11150.8 Ų50.852%0.51926%0.257SS..Hα-helixtrans-61.7-45.1178.5178.2-175.6-28.400111.5D118 L119 G125D118-Q122 PolarHBondContact O-N 2.9Å; L119-Q122 WeakPolarHBondContact O-CB 3.4Å; L119-Q122 PolarHBondContact O-N 3.38Å; L119-Q122 VanDerWaalsContact O-N 3.15Å; Q122-G125 PolarHBondContact O-N 2.98Å
123L98.5Very high98.3Very high3 Ų350.5 Ų50.52%0.01626%0.256CS..Hα-helixtrans-66.2-40.4180-68.6178.3000111.4I9 F11 L119 L120 G125 Q126 Y127 L129 L235 L239I9-L123 HydrophobicContact CD1-CD1 4.19Å; I9-L123 HydrophobicContact CD1-CD2 4.23Å; F11-L123 HydrophobicContact CE2-CD1 4.44Å; F11-L123 HydrophobicContact CZ-CD1 3.86Å; L119-L123 HydrophobicContact CD1-CD1 3.87Å; L119-L123 HydrophobicContact CD1-CD2 4.44Å; L119-L123 HydrophobicContact CD1-CG 3.94Å; L119-L123 HydrophobicContact CD2-CD1 4.36Å; L119-L123 HydrophobicContact CG-CD1 3.83Å; L119-L123 HydrophobicContact CG-CG 4.24Å; L119-L123 WeakPolarHBondContact O-CG 3.44Å; L119-L123 PolarHBondContact O-N 3.32Å; L120-L123 PolarHBondContact O-N 3.32Å; L123-G125 PolarHBondContact O-N 3.49Å; L123-Q126 PolarHBondContact O-N 3.19Å; L123-Y127 HydrophobicContact CB-CD2 4.38Å; L123-Y127 HydrophobicContact CD2-CD2 4.04Å; L123-Y127 HydrophobicContact CD2-CE2 3.93Å; L123-Y127 WeakPolarHBondContact O-CD2 3.42Å; L123-Y127 PolarHBondContact O-N 3.28Å; L123-L129 HydrophobicContact CB-CD1 4.03Å; L123-L129 HydrophobicContact CB-CD2 4.08Å; L123-L235 HydrophobicContact CD1-CD2 3.93Å; L123-L239 HydrophobicContact CD2-CD1 3.55Å
124R97.6Very high98.3Very high111 Ų11148.9 Ų48.942%0.41925%0.245SC..Hα-helixtrans-63.1-26.2178.1-164.9-177.4-178.3-161.8-0.6113.2L120 R121 Q126 L129 E151 F152 D154L120-R124 VanDerWaalsContact O-CB 3.31Å; L120-R124 WeakPolarHBondContact O-CB 3.42Å; L120-R124 PolarHBondContact O-N 3.38Å; R121-R124 PolarHBondContact O-N 2.95Å; R124-Q126 PolarHBondContact O-N 3.01Å; R124-L129 HydrophobicContact CB-CD1 3.85Å; R124-L129 HydrophobicContact CB-CG 4.16Å; R124-L129 HydrophobicContact CG-CG 4.45Å; R124-E151 PolarHBondContact NH1-O 3.42Å; R124-F152 WeakPolarHBondContact CD-O 3.31Å; R124-D154 IonicContact CZ-OD1 2.7Å; R124-D154 IonicContact NE-OD1 3.98Å; R124-D154 PolarHBondContact NE-OD1 3.46Å; R124-D154 IonicContact NH2-OD1 3.63Å; R124-D154 PolarHBondContact NH2-OD1 3.41Å; R124-D154 VanDerWaalsContact NH2-OD1 3.1Å
125G97.1Very high98.1Very high69 Ų6945.9 Ų45.971%0.71123%0.23SC*.THydrogen-bonded Turntrans-66.4-14.7172.400000114.4R121 Q122 L123R121-G125 PolarHBondContact O-N 3.28Å; Q122-G125 PolarHBondContact O-N 2.98Å; L123-G125 PolarHBondContact O-N 3.49Å
126Q96.9Very high97.8Very high125 Ų12542.1 Ų42.158%0.58421%0.214SC*.THydrogen-bonded Turntrans-126.7-28.4-172.5-66176.371.400113.6L123 R124L123-Q126 PolarHBondContact O-N 3.19Å; R124-Q126 PolarHBondContact O-N 3.01Å
127Y98.4Very high97.6Very high20 Ų2042.2 Ų42.28%0.07822%0.216CC..SBendtrans-132.2153.9-174.3-49.9-78.9000110.6V6 I9 L123 L239 Q243V6-Y127 HydrophobicContact CB-CD1 4.36Å; V6-Y127 HydrophobicContact CB-CE1 3.97Å; V6-Y127 HydrophobicContact CG1-CD1 3.88Å; V6-Y127 HydrophobicContact CG1-CE1 3.89Å; I9-Y127 HydrophobicContact CD1-CD2 3.78Å; I9-Y127 HydrophobicContact CD1-CE2 4.36Å; I9-Y127 HydrophobicContact CD1-CG 3.94Å; I9-Y127 HydrophobicContact CG1-CG 4.24Å; L123-Y127 HydrophobicContact CB-CD2 4.38Å; L123-Y127 HydrophobicContact CD2-CD2 4.04Å; L123-Y127 HydrophobicContact CD2-CE2 3.93Å; L123-Y127 WeakPolarHBondContact O-CD2 3.42Å; L123-Y127 PolarHBondContact O-N 3.28Å; Y127-L239 HydrophobicContact CE2-CD1 3.9Å; Y127-Q243 PolarHBondContact OH-NE2 2.67Å
128K98.8Very high97.5Very high78 Ų7845.9 Ų45.934%0.33923%0.229SC..EExtended strand (participates in β ladder)trans-73.4128.1163.9-69.1-179.4175.8175.20109.6K7 A8 I9 D154 L179 V181K7-K128 PolarHBondContact O-N 3.49Å; A8-K128 CarbonylContact C-O 3.56Å; A8-K128 WeakPolarHBondContact CA-O 3.33Å; A8-K128 HydrophobicContact CB-CB 4.18Å; I9-K128 PolarHBondContact N-O 2.89Å; K128-D154 VanDerWaalsContact CA-OD2 3.27Å; K128-D154 WeakPolarHBondContact CA-OD2 3.49Å; K128-L179 HydrophobicContact CB-CD1 4.18Å; K128-L179 HydrophobicContact CB-CD2 4.12Å; K128-L179 HydrophobicContact CD-CB 4.18Å; K128-L179 HydrophobicContact CD-CD2 4.47Å; K128-L179 VanDerWaalsContact CD-O 3.24Å; K128-L179 WeakPolarHBondContact CD-O 3.33Å; K128-L179 WeakPolarHBondContact CE-O 3.24Å; K128-L179 PolarHBondContact NZ-O 3.32Å; K128-V181 HydrophobicContact CD-CG1 4.25Å
129L98.9Very high97.3Very high0 Ų042 Ų420%021%0.209CC..EExtended strand (participates in β ladder)trans-109132.8-179.8-52-167.2000110.3I9 F11 L120 L123 R124 F153 D154I9-L129 HydrophobicContact CB-CD2 4.05Å; I9-L129 HydrophobicContact CD1-CD2 4.1Å; I9-L129 HydrophobicContact CG1-CD2 4.29Å; F11-L129 HydrophobicContact CE2-CD2 4.22Å; L120-L129 HydrophobicContact CD2-CD1 4.17Å; L120-L129 WeakPolarHBondContact O-CD1 3.33Å; L123-L129 HydrophobicContact CB-CD1 4.03Å; L123-L129 HydrophobicContact CB-CD2 4.08Å; R124-L129 HydrophobicContact CB-CD1 3.85Å; R124-L129 HydrophobicContact CB-CG 4.16Å; R124-L129 HydrophobicContact CG-CG 4.45Å; L129-F153 HydrophobicContact CB-CD1 3.8Å; L129-F153 HydrophobicContact CB-CE1 4.38Å; L129-D154 PolarHBondContact N-OD2 3.47Å; L129-D154 PolarHBondContact O-N 3.21Å
130L98.9Very high97.3Very high0 Ų041.7 Ų41.70%021%0.207CC..EExtended strand (participates in β ladder)trans-131.1133.3173.6-178.5156.8000110.5I9 L10 F11 L132 A155 V157 C175 L179I9-L130 PolarHBondContact O-N 3.39Å; L10-L130 CarbonylContact C-O 3.53Å; L10-L130 WeakPolarHBondContact CA-O 3.5Å; L10-L130 HydrophobicContact CD2-CB 3.79Å; L10-L130 HydrophobicContact CD2-CD1 4.41Å; L10-L130 HydrophobicContact CD2-CD2 4.05Å; L10-L130 HydrophobicContact CD2-CG 4.31Å; F11-L130 PolarHBondContact N-O 2.93Å; L130-L132 HydrophobicContact CD2-CB 3.76Å; L130-A155 WeakPolarHBondContact CA-O 3.49Å; L130-A155 HydrophobicContact CD1-CB 3.81Å; L130-A155 HydrophobicContact CG-CB 4.01Å; L130-V157 HydrophobicContact CD1-CG2 4.05Å; L130-V157 HydrophobicContact CD2-CB 4.27Å; L130-V157 HydrophobicContact CD2-CG2 4.04Å; L130-V157 HydrophobicContact CG-CG2 4.33Å; L130-C175 HydrophobicContact CD1-CB 3.64Å; L130-C175 HydrophobicContact CD2-CB 4.07Å; L130-C175 VanDerWaalsContact CD2-SG 3.53Å; L130-L179 HydrophobicContact CB-CD1 3.81Å; L130-L179 HydrophobicContact CB-CD2 4.25Å; L130-L179 HydrophobicContact CB-CG 4.25Å; L130-L179 HydrophobicContact CD1-CD1 4.11Å; L130-L179 HydrophobicContact CD1-CD2 4.21Å; L130-L179 HydrophobicContact CD1-CG 3.86Å
131L98.9Very high97.2Very high0 Ų047.5 Ų47.50%023%0.229CC..EExtended strand (participates in β ladder)trans-88.4119.9170.3-172.369.1000109F11 L13 L17 V144 F153 A155 V156 V157F11-L131 HydrophobicContact CB-CD1 4.36Å; F11-L131 CarbonylContact O-C 3.57Å; F11-L131 WeakPolarHBondContact O-CA 3.34Å; L13-L131 HydrophobicContact CB-CD1 3.97Å; L13-L131 HydrophobicContact CB-CD2 4.5Å; L13-L131 HydrophobicContact CD1-CD1 4.29Å; L13-L131 HydrophobicContact CD1-CD2 4.27Å; L17-L131 HydrophobicContact CD1-CD1 3.81Å; L131-V144 HydrophobicContact CD2-CG2 3.78Å; L131-F153 HydrophobicContact CB-CD1 3.95Å; L131-F153 HydrophobicContact CB-CD2 3.92Å; L131-F153 HydrophobicContact CB-CE1 4.1Å; L131-F153 HydrophobicContact CB-CE2 4.07Å; L131-F153 HydrophobicContact CB-CG 3.88Å; L131-F153 HydrophobicContact CB-CZ 4.17Å; L131-F153 HydrophobicContact CD1-CE1 4.34Å; L131-F153 HydrophobicContact CD1-CE2 4.17Å; L131-F153 HydrophobicContact CD1-CZ 3.92Å; L131-F153 HydrophobicContact CD2-CE2 4.35Å; L131-F153 HydrophobicContact CG-CE2 4.45Å; L131-A155 PolarHBondContact N-O 3.24Å; L131-V156 HydrophobicContact CB-CB 4.48Å; L131-V156 HydrophobicContact CB-CG1 4.28Å; L131-V156 HydrophobicContact CB-CG2 4.12Å; L131-V156 HydrophobicContact CD2-CG1 4.07Å; L131-V156 HydrophobicContact CD2-CG2 4.44Å; L131-V156 CarbonylContact O-C 3.57Å; L131-V157 PolarHBondContact O-N 2.92Å
132L98.8Very high97.2Very high0 Ų043.9 Ų43.90%022%0.218CC..EExtended strand (participates in β ladder)trans-119.4104.5177.7173.958.3000108.9F11 L130 V157 K166 I171 F172F11-L132 PolarHBondContact O-N 2.85Å; L130-L132 HydrophobicContact CD2-CB 3.76Å; L132-V157 WeakPolarHBondContact CA-O 3.41Å; L132-V157 HydrophobicContact CD1-CB 3.97Å; L132-V157 HydrophobicContact CD1-CG1 3.68Å; L132-K166 HydrophobicContact CD2-CD 3.82Å; L132-K166 HydrophobicContact CD2-CG 3.87Å; L132-K166 HydrophobicContact CG-CD 3.83Å; L132-K166 HydrophobicContact CG-CG 4.07Å; L132-K166 PolarHBondContact O-NZ 3.25Å; L132-I171 HydrophobicContact CD1-CG1 3.69Å; L132-I171 HydrophobicContact CD1-CG2 4.35Å; L132-I171 HydrophobicContact CD2-CG2 4.4Å; L132-F172 HydrophobicContact CD2-CD1 4.04Å; L132-F172 HydrophobicContact CD2-CE1 3.81Å; L132-F172 HydrophobicContact CD2-CE2 4.37Å; L132-F172 HydrophobicContact CD2-CG 4.42Å; L132-F172 HydrophobicContact CD2-CZ 3.98Å
133T98.4Very high97.2Very high0 Ų039.1 Ų39.10%020%0.195CC..EExtended strand (participates in β ladder)trans-123.5135-173.8-173.20000112.4Q140 V157 I158 A159T133-Q140 HydrophobicContact CG2-CB 4.04Å; T133-Q140 HydrophobicContact CG2-CG 4.22Å; T133-Q140 PolarHBondContact OG1-NE2 3.43Å; T133-V157 PolarHBondContact N-O 2.95Å; T133-I158 HydrophobicContact CG2-CB 4.43Å; T133-I158 HydrophobicContact CG2-CG1 3.85Å; T133-A159 PolarHBondContact O-N 3.47Å
134N97Very high97.2Very high26 Ų2639.4 Ų39.414%0.13920%0.197CC..  trans-81.5164175.8-83.512.1000111.5Q140 Q165 K166N134-Q140 WeakPolarHBondContact O-CG 2.91Å; N134-Q140 PolarHBondContact O-NE2 3.25Å; N134-Q165 WeakPolarHBondContact OD1-CB 3.13Å; N134-K166 PolarHBondContact ND2-O 3.11Å; N134-K166 WeakPolarHBondContact OD1-CB 3.23Å; N134-K166 WeakPolarHBondContact OD1-CE 3.48Å; N134-K166 WeakPolarHBondContact OD1-CG 3.26Å; N134-K166 PolarHBondContact OD1-N 3.11Å
135G92.8Very high97.2Very high26 Ų2641 Ų4127%0.26821%0.209SC..SBendtrans106.8175174.100000114.5G160G135-G160 VanDerWaalsContact O-CA 3.26Å; G135-G160 WeakPolarHBondContact O-CA 3.39Å; G135-G160 PolarHBondContact O-N 3.49Å; G135-G160 VanDerWaalsContact O-N 3.11Å
136D93.8Very high97.3Very high28 Ų2839.5 Ų39.515%0.1519%0.19CC..  trans-55.3135-177.2171.8-97.7000112.8R64 Q70 R138 T139 Q140R64-D136 IonicContact CZ-OD2 2.66Å; R64-D136 VanDerWaalsContact CZ-OD2 3.27Å; R64-D136 IonicContact NH1-OD2 3.66Å; R64-D136 PolarHBondContact NH1-OD2 2.76Å; R64-D136 IonicContact NH2-OD2 2.98Å; R64-D136 PolarHBondContact NH2-OD2 2.65Å; Q70-D136 HydrophobicContact CB-CB 4.43Å; Q70-D136 HydrophobicContact CG-CB 4.2Å; D136-R138 PolarHBondContact O-N 3.44Å; D136-R138 WeakPolarHBondContact OD1-CB 3.2Å; D136-R138 PolarHBondContact OD1-N 2.81Å; D136-R138 VanDerWaalsContact OD1-N 3.08Å; D136-T139 PolarHBondContact O-N 2.76Å; D136-T139 PolarHBondContact OD1-N 3Å; D136-T139 PolarHBondContact OD1-OG1 3.2Å; D136-Q140 WeakPolarHBondContact O-CG 3.36Å; D136-Q140 PolarHBondContact O-N 3.3Å
137A94.3Very high97.3Very high12 Ų1233.6 Ų33.610%0.09916%0.163CC..Hα-helixtrans-56.7-44.6-173.500000113.5R141 D161A137-R141 WeakPolarHBondContact O-CB 3.11Å; A137-R141 VanDerWaalsContact O-CG 3.25Å; A137-R141 WeakPolarHBondContact O-CG 3.27Å; A137-R141 PolarHBondContact O-N 3.02Å; A137-R141 VanDerWaalsContact O-N 3.11Å; A137-D161 WeakPolarHBondContact CB-OD1 3.42Å
138R94.9Very high97.2Very high127 Ų12738.2 Ų38.248%0.47919%0.185SC..Hα-helixtrans-68.4-47.2179.9-177.1-179178.1-170.90.4110.6D71 D136 Q140 R141 E142D71-R138 IonicContact OD2-CZ 3.18Å; D71-R138 VanDerWaalsContact OD2-CZ 3.3Å; D71-R138 IonicContact OD2-NH1 2.71Å; D71-R138 PolarHBondContact OD2-NH1 3.01Å; D71-R138 IonicContact OD2-NH2 2.75Å; D71-R138 PolarHBondContact OD2-NH2 3.19Å; D136-R138 PolarHBondContact O-N 3.44Å; D136-R138 WeakPolarHBondContact OD1-CB 3.2Å; D136-R138 PolarHBondContact OD1-N 2.81Å; D136-R138 VanDerWaalsContact OD1-N 3.08Å; R138-Q140 PolarHBondContact O-N 2.91Å; R138-R141 PolarHBondContact O-N 3.13Å; R138-E142 IonicContact CZ-OE1 3.27Å; R138-E142 IonicContact NE-OE1 2.75Å; R138-E142 PolarHBondContact NE-OE1 3.38Å; R138-E142 IonicContact NH2-OE1 2.84Å; R138-E142 WeakPolarHBondContact O-CG 3.39Å; R138-E142 PolarHBondContact O-N 2.98Å
139T95.3Very high97.1Very high8 Ų834.5 Ų34.55%0.04917%0.169CC..Hα-helixtrans-56.7-49.1179.7-59.70000111.2R74 D136 E142 K143R74-T139 PolarHBondContact NH1-OG1 3.1Å; D136-T139 PolarHBondContact O-N 2.76Å; D136-T139 PolarHBondContact OD1-N 3Å; D136-T139 PolarHBondContact OD1-OG1 3.2Å; T139-E142 PolarHBondContact O-N 3.22Å; T139-K143 WeakPolarHBondContact O-CG 3.16Å; T139-K143 PolarHBondContact O-N 3.33Å; T139-K143 VanDerWaalsContact O-N 3.15Å
140Q97.8Very high97.1Very high5 Ų541 Ų412%0.02320%0.197CC..Hα-helixtrans-71.7-33.2-177.3-62.5-52.6103.900112.3D14 T133 N134 D136 R138 K143 V144 I158D14-Q140 PolarHBondContact OD2-NE2 3.15Å; T133-Q140 HydrophobicContact CG2-CB 4.04Å; T133-Q140 HydrophobicContact CG2-CG 4.22Å; T133-Q140 PolarHBondContact OG1-NE2 3.43Å; N134-Q140 WeakPolarHBondContact O-CG 2.91Å; N134-Q140 PolarHBondContact O-NE2 3.25Å; D136-Q140 WeakPolarHBondContact O-CG 3.36Å; D136-Q140 PolarHBondContact O-N 3.3Å; R138-Q140 PolarHBondContact O-N 2.91Å; Q140-K143 PolarHBondContact O-N 2.91Å; Q140-V144 WeakPolarHBondContact O-CG2 3.42Å; Q140-V144 PolarHBondContact O-N 3.18Å; Q140-I158 HydrophobicContact CB-CD1 4.19Å; Q140-I158 HydrophobicContact CB-CG1 4.24Å; Q140-I158 HydrophobicContact CB-CG2 3.66Å; Q140-I158 HydrophobicContact CG-CG2 4.15Å
141R97.9Very high97Very high122 Ų12246.4 Ų46.446%0.4622%0.222SC..Hα-helixtrans-61.2-44172-76-179-161.8120.71.9111.9A137 R138 K143 V144 E145 I158 D161A137-R141 WeakPolarHBondContact O-CB 3.11Å; A137-R141 VanDerWaalsContact O-CG 3.25Å; A137-R141 WeakPolarHBondContact O-CG 3.27Å; A137-R141 PolarHBondContact O-N 3.02Å; A137-R141 VanDerWaalsContact O-N 3.11Å; R138-R141 PolarHBondContact O-N 3.13Å; R141-K143 VanDerWaalsContact C-N 3.28Å; R141-K143 PolarHBondContact O-N 3Å; R141-V144 PolarHBondContact O-N 2.75Å; R141-E145 WeakPolarHBondContact O-CB 3.39Å; R141-E145 PolarHBondContact O-N 2.76Å; R141-I158 HydrophobicContact CB-CD1 4.33Å; R141-I158 HydrophobicContact CG-CD1 3.42Å; R141-I158 VanDerWaalsContact CG-CD1 3.42Å; R141-D161 IonicContact CZ-OD1 2.8Å; R141-D161 IonicContact CZ-OD2 3.9Å; R141-D161 IonicContact NE-OD2 3.9Å; R141-D161 IonicContact NH2-OD1 3.51Å; R141-D161 PolarHBondContact NH2-OD1 2.98Å; R141-D161 IonicContact NH2-OD2 3.42Å; R141-D161 PolarHBondContact NH2-OD2 3.15Å
142E98Very high97Very high50 Ų5046.6 Ų46.623%0.23422%0.223CC..Hα-helixtrans-59.9-39.8176.2-70.6169169.200111.2K103 L107 R138 T139 A146K103-E142 VanDerWaalsContact CE-CD 3.47Å; K103-E142 WeakPolarHBondContact CE-OE1 3.48Å; K103-E142 WeakPolarHBondContact CE-OE2 3.31Å; K103-E142 IonicContact NZ-OE1 2.75Å; K103-E142 PolarHBondContact NZ-OE1 3.02Å; K103-E142 IonicContact NZ-OE2 3.97Å; K103-E142 PolarHBondContact NZ-OE2 3.41Å; L107-E142 HydrophobicContact CD1-CB 4.2Å; L107-E142 HydrophobicContact CD2-CB 4.24Å; R138-E142 IonicContact CZ-OE1 3.27Å; R138-E142 IonicContact NE-OE1 2.75Å; R138-E142 PolarHBondContact NE-OE1 3.38Å; R138-E142 IonicContact NH2-OE1 2.84Å; R138-E142 WeakPolarHBondContact O-CG 3.39Å; R138-E142 PolarHBondContact O-N 2.98Å; T139-E142 PolarHBondContact O-N 3.22Å; E142-A146 VanDerWaalsContact O-CB 3.27Å; E142-A146 WeakPolarHBondContact O-CB 3.36Å; E142-A146 PolarHBondContact O-N 3.18Å
143K98.4Very high97Very high12 Ų1247.2 Ų47.25%0.05223%0.226CC..Hα-helixtrans-67.9-43.8175.7-64.7-176.6-173.6166.20113.2L13 D14 L107 L110 T139 Q140 R141 E145 A146 A147L13-K143 HydrophobicContact CD2-CB 4.04Å; D14-K143 VanDerWaalsContact OD1-CD 3.27Å; D14-K143 WeakPolarHBondContact OD1-CD 3.43Å; D14-K143 WeakPolarHBondContact OD1-CE 3.4Å; D14-K143 IonicContact OD1-NZ 3.3Å; D14-K143 PolarHBondContact OD1-NZ 3.14Å; D14-K143 IonicContact OD2-NZ 2.63Å; D14-K143 PolarHBondContact OD2-NZ 3.49Å; L107-K143 HydrophobicContact CD2-CG 4.09Å; L110-K143 HydrophobicContact CD1-CB 3.78Å; L110-K143 HydrophobicContact CD1-CD 4.13Å; L110-K143 HydrophobicContact CD1-CG 3.59Å; T139-K143 WeakPolarHBondContact O-CG 3.16Å; T139-K143 PolarHBondContact O-N 3.33Å; T139-K143 VanDerWaalsContact O-N 3.15Å; Q140-K143 PolarHBondContact O-N 2.91Å; R141-K143 VanDerWaalsContact C-N 3.28Å; R141-K143 PolarHBondContact O-N 3Å; K143-E145 VanDerWaalsContact C-N 3.29Å; K143-E145 PolarHBondContact O-N 2.88Å; K143-A146 PolarHBondContact O-N 2.72Å; K143-A147 VanDerWaalsContact O-CB 3.26Å; K143-A147 WeakPolarHBondContact O-CB 3.42Å; K143-A147 PolarHBondContact O-N 3.13Å
144V98.4Very high97Very high9 Ų950.6 Ų50.66%0.05524%0.244CC..Hα-helixtrans-61.9-40.7178.4168.30000110.9L13 L131 Q140 R141 E148 C149 K150 V156L13-V144 HydrophobicContact CD2-CG2 3.89Å; L131-V144 HydrophobicContact CD2-CG2 3.78Å; Q140-V144 WeakPolarHBondContact O-CG2 3.42Å; Q140-V144 PolarHBondContact O-N 3.18Å; R141-V144 PolarHBondContact O-N 2.75Å; V144-E148 PolarHBondContact O-N 3.1Å; V144-C149 PolarHBondContact O-N 3.02Å; V144-K150 HydrophobicContact CG1-CB 4.07Å; V144-V156 HydrophobicContact CG2-CG1 4.46Å
145E98.1Very high97Very high144 Ų14450.1 Ų50.167%0.67324%0.243SC*.Hα-helixtrans-66.4-49.9175.5-17263.7-158.700111.2R141 K143 A147 E148R141-E145 WeakPolarHBondContact O-CB 3.39Å; R141-E145 PolarHBondContact O-N 2.76Å; K143-E145 VanDerWaalsContact C-N 3.29Å; K143-E145 PolarHBondContact O-N 2.88Å; E145-A147 VanDerWaalsContact C-N 3.29Å; E145-A147 PolarHBondContact O-N 3.38Å; E145-E148 PolarHBondContact O-N 3.25Å
146A97.8Very high97.3Very high37 Ų3750.8 Ų50.831%0.30624%0.242SC..Hα-helixtrans-59.2-39.6179.500000112.6L107 L110 E142 K143 E148L107-A146 HydrophobicContact CB-CB 4.25Å; L107-A146 HydrophobicContact CD2-CB 4.11Å; L110-A146 HydrophobicContact CB-CB 4.37Å; L110-A146 CarbonylContact O-C 3.46Å; L110-A146 VanDerWaalsContact O-O 3.09Å; E142-A146 VanDerWaalsContact O-CB 3.27Å; E142-A146 WeakPolarHBondContact O-CB 3.36Å; E142-A146 PolarHBondContact O-N 3.18Å; K143-A146 PolarHBondContact O-N 2.72Å; A146-E148 PolarHBondContact O-N 3.46Å
147A97.4Very high97.6Very high1 Ų149.6 Ų49.61%0.00824%0.236CC..THydrogen-bonded Turntrans-74.8-11.2177.200000114V18 L110 K143 E145 C149V18-A147 HydrophobicContact CG1-CB 3.81Å; L110-A147 WeakPolarHBondContact O-CA 3.44Å; K143-A147 VanDerWaalsContact O-CB 3.26Å; K143-A147 WeakPolarHBondContact O-CB 3.42Å; K143-A147 PolarHBondContact O-N 3.13Å; E145-A147 VanDerWaalsContact C-N 3.29Å; E145-A147 PolarHBondContact O-N 3.38Å; A147-C149 HydrophobicContact CB-CB 4.17Å; A147-C149 PolarHBondContact O-N 3.37Å; A147-C149 VanDerWaalsContact O-N 3.13Å
148E97Very high97.8Very high117 Ų11749.6 Ų49.655%0.54723%0.234SC..THydrogen-bonded Turntrans50.633-174-58.4175.4171.200112.8R117 V144 E145 A146R117-E148 IonicContact CZ-OE2 2.78Å; R117-E148 IonicContact NH1-OE2 3.32Å; R117-E148 IonicContact NH2-OE2 3.78Å; R117-E148 PolarHBondContact NH2-OE2 3.47Å; V144-E148 PolarHBondContact O-N 3.1Å; E145-E148 PolarHBondContact O-N 3.25Å; A146-E148 PolarHBondContact O-N 3.46Å
149C97.1Very high97.8Very high0 Ų043.6 Ų43.60%021%0.212CC..  trans-91.5-10.3-167.668.20000113.7L112 V144 A147 E151 F152 F153L112-C149 HydrophobicContact CD1-CB 3.59Å; L112-C149 HydrophobicContact CD2-CB 4.32Å; L112-C149 HydrophobicContact CG-CB 4.02Å; V144-C149 PolarHBondContact O-N 3.02Å; A147-C149 HydrophobicContact CB-CB 4.17Å; A147-C149 PolarHBondContact O-N 3.37Å; A147-C149 VanDerWaalsContact O-N 3.13Å; C149-E151 VanDerWaalsContact C-N 3.26Å; C149-E151 PolarHBondContact O-N 3.21Å; C149-F152 WeakPolarHBondContact O-CD2 3.31Å; C149-F152 PolarHBondContact O-N 2.94Å; C149-F153 HydrophobicContact CB-CE2 4.25Å; C149-F153 WeakPolarHBondContact O-CD2 3.44Å; C149-F153 VanDerWaalsContact O-CE2 3.3Å; C149-F153 WeakPolarHBondContact O-CE2 3.27Å
150K97.6Very high97.7Very high137 Ų13745 Ų4560%0.59623%0.228SC*.G310 helixtrans-58.7-35.4-173-174.3177.9179.3-177.60113.4V144 F152 F153 V156V144-K150 HydrophobicContact CG1-CB 4.07Å; K150-F152 PolarHBondContact O-N 3.06Å; K150-F153 PolarHBondContact O-N 3.02Å; K150-V156 HydrophobicContact CG-CG2 4.16Å
151E97Very high97.6Very high113 Ų11348.6 Ų48.653%0.52825%0.247SC..G310 helixtrans-63.8-20.2-176.464.6172.8132.900114.1R124 C149R124-E151 PolarHBondContact NH1-O 3.42Å; C149-E151 VanDerWaalsContact C-N 3.26Å; C149-E151 PolarHBondContact O-N 3.21Å
152F98.5Very high97.5Very high5 Ų546.7 Ų46.72%0.02224%0.244CC..G310 helixtrans-84.5-11.6-177.6-60.9-78.4000113.5L112 R117 L120 R121 R124 C149 K150L112-F152 HydrophobicContact CD1-CD2 3.72Å; L112-F152 HydrophobicContact CD1-CE2 3.63Å; L112-F152 HydrophobicContact CD1-CZ 4.47Å; R117-F152 HydrophobicContact CB-CE1 4.01Å; R117-F152 HydrophobicContact CB-CZ 3.77Å; R117-F152 HydrophobicContact CG-CE1 4.36Å; R117-F152 HydrophobicContact CG-CE2 4.11Å; R117-F152 HydrophobicContact CG-CZ 3.64Å; R117-F152 WeakPolarHBondContact O-CE1 3.26Å; L120-F152 HydrophobicContact CB-CB 3.92Å; L120-F152 HydrophobicContact CB-CD1 3.77Å; L120-F152 HydrophobicContact CB-CG 3.99Å; L120-F152 HydrophobicContact CD1-CB 3.94Å; L120-F152 HydrophobicContact CD1-CD1 4.47Å; L120-F152 HydrophobicContact CD1-CD2 4.31Å; L120-F152 HydrophobicContact CD1-CG 3.99Å; L120-F152 HydrophobicContact CG-CB 4.49Å; R121-F152 HydrophobicContact CG-CD1 4.05Å; R121-F152 HydrophobicContact CG-CE1 3.79Å; R124-F152 WeakPolarHBondContact CD-O 3.31Å; C149-F152 WeakPolarHBondContact O-CD2 3.31Å; C149-F152 PolarHBondContact O-N 2.94Å; K150-F152 PolarHBondContact O-N 3.06Å
153F98.8Very high97.2Very high12 Ų1249.5 Ų49.55%0.05328%0.276CS..  trans-113.8144.8-174.4-57.5-81.7000111.7F11 L17 L120 L129 L131 C149 K150 A155 V156F11-F153 HydrophobicContact CB-CE1 4.09Å; F11-F153 AromaticContact CD2-CE1 3.89Å; F11-F153 HydrophobicContact CD2-CE1 3.89Å; F11-F153 HydrophobicContact CG-CE1 4.27Å; L17-F153 HydrophobicContact CD1-CE1 4.44Å; L17-F153 HydrophobicContact CD1-CE2 4.38Å; L17-F153 HydrophobicContact CD1-CZ 3.58Å; L120-F153 HydrophobicContact CD1-CZ 4.16Å; L120-F153 HydrophobicContact CD2-CE1 4.32Å; L120-F153 HydrophobicContact CD2-CZ 4.2Å; L129-F153 HydrophobicContact CB-CD1 3.8Å; L129-F153 HydrophobicContact CB-CE1 4.38Å; L131-F153 HydrophobicContact CB-CD1 3.95Å; L131-F153 HydrophobicContact CB-CD2 3.92Å; L131-F153 HydrophobicContact CB-CE1 4.1Å; L131-F153 HydrophobicContact CB-CE2 4.07Å; L131-F153 HydrophobicContact CB-CG 3.88Å; L131-F153 HydrophobicContact CB-CZ 4.17Å; L131-F153 HydrophobicContact CD1-CE1 4.34Å; L131-F153 HydrophobicContact CD1-CE2 4.17Å; L131-F153 HydrophobicContact CD1-CZ 3.92Å; L131-F153 HydrophobicContact CD2-CE2 4.35Å; L131-F153 HydrophobicContact CG-CE2 4.45Å; C149-F153 HydrophobicContact CB-CE2 4.25Å; C149-F153 WeakPolarHBondContact O-CD2 3.44Å; C149-F153 VanDerWaalsContact O-CE2 3.3Å; C149-F153 WeakPolarHBondContact O-CE2 3.27Å; K150-F153 PolarHBondContact O-N 3.02Å; F153-A155 VanDerWaalsContact C-N 3.27Å; F153-A155 WeakPolarHBondContact CB-O 3.32Å; F153-V156 HydrophobicContact CB-CG2 4.3Å
154D98.7Very high97Very high72 Ų7252.7 Ų52.739%0.38529%0.291SS..SBendtrans-75.7-23.4171.8-56.3-57.5000111.3R124 K128 L129 L179R124-D154 IonicContact CZ-OD1 2.7Å; R124-D154 IonicContact NE-OD1 3.98Å; R124-D154 PolarHBondContact NE-OD1 3.46Å; R124-D154 IonicContact NH2-OD1 3.63Å; R124-D154 PolarHBondContact NH2-OD1 3.41Å; R124-D154 VanDerWaalsContact NH2-OD1 3.1Å; K128-D154 VanDerWaalsContact CA-OD2 3.27Å; K128-D154 WeakPolarHBondContact CA-OD2 3.49Å; L129-D154 PolarHBondContact N-OD2 3.47Å; L129-D154 PolarHBondContact O-N 3.21Å; D154-L179 HydrophobicContact CB-CD2 4.26Å
155A98.4Very high96.9Very high15 Ų1555.4 Ų55.412%0.12430%0.303CS..EExtended strand (participates in β ladder)trans-151.3152.9172.200000111.8L130 L131 F153 M178 L179L130-A155 WeakPolarHBondContact CA-O 3.49Å; L130-A155 HydrophobicContact CD1-CB 3.81Å; L130-A155 HydrophobicContact CG-CB 4.01Å; L131-A155 PolarHBondContact N-O 3.24Å; F153-A155 VanDerWaalsContact C-N 3.27Å; F153-A155 WeakPolarHBondContact CB-O 3.32Å; A155-M178 HydrophobicContact CB-CE 3.76Å; A155-L179 HydrophobicContact CB-CD2 4.42Å
156V98.7Very high96.9Very high41 Ų4148.7 Ų48.725%0.24827%0.271CS..EExtended strand (participates in β ladder)trans-124.9125171.7177.10000108L131 V144 K150 F153 I158L131-V156 HydrophobicContact CB-CB 4.48Å; L131-V156 HydrophobicContact CB-CG1 4.28Å; L131-V156 HydrophobicContact CB-CG2 4.12Å; L131-V156 HydrophobicContact CD2-CG1 4.07Å; L131-V156 HydrophobicContact CD2-CG2 4.44Å; L131-V156 CarbonylContact O-C 3.57Å; V144-V156 HydrophobicContact CG2-CG1 4.46Å; K150-V156 HydrophobicContact CG-CG2 4.16Å; F153-V156 HydrophobicContact CB-CG2 4.3Å; V156-I158 HydrophobicContact CG1-CG1 4.17Å
157V98.7Very high96.9Very high2 Ų248.5 Ų48.51%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-116.4117.3177.3177.70000108.3L130 L131 L132 T133 I171 L174 M178L130-V157 HydrophobicContact CD1-CG2 4.05Å; L130-V157 HydrophobicContact CD2-CB 4.27Å; L130-V157 HydrophobicContact CD2-CG2 4.04Å; L130-V157 HydrophobicContact CG-CG2 4.33Å; L131-V157 PolarHBondContact O-N 2.92Å; L132-V157 WeakPolarHBondContact CA-O 3.41Å; L132-V157 HydrophobicContact CD1-CB 3.97Å; L132-V157 HydrophobicContact CD1-CG1 3.68Å; T133-V157 PolarHBondContact N-O 2.95Å; V157-I171 HydrophobicContact CG1-CD1 3.82Å; V157-I171 HydrophobicContact CG1-CG1 4.08Å; V157-L174 HydrophobicContact CG1-CD2 4.25Å; V157-M178 HydrophobicContact CG2-CE 4.4Å; V157-M178 HydrophobicContact CG2-SD 3.66Å
158I98.4Very high96.9Very high12 Ų1253.2 Ų53.26%0.06229%0.288CS..EExtended strand (participates in β ladder)trans-106.8113.9175.6-63.9173000107T133 Q140 R141 V156 G160 D161 H162T133-I158 HydrophobicContact CG2-CB 4.43Å; T133-I158 HydrophobicContact CG2-CG1 3.85Å; Q140-I158 HydrophobicContact CB-CD1 4.19Å; Q140-I158 HydrophobicContact CB-CG1 4.24Å; Q140-I158 HydrophobicContact CB-CG2 3.66Å; Q140-I158 HydrophobicContact CG-CG2 4.15Å; R141-I158 HydrophobicContact CB-CD1 4.33Å; R141-I158 HydrophobicContact CG-CD1 3.42Å; R141-I158 VanDerWaalsContact CG-CD1 3.42Å; V156-I158 HydrophobicContact CG1-CG1 4.17Å; I158-G160 PolarHBondContact O-N 2.91Å; I158-G160 VanDerWaalsContact O-N 3.13Å; I158-D161 WeakPolarHBondContact O-CB 3.49Å; I158-D161 PolarHBondContact O-N 3Å; I158-H162 PolarHBondContact O-CD2 3.43Å
159A96.1Very high97Very high2 Ų249.8 Ų49.82%0.01728%0.275CS..G310 helixtrans-62-26.5-170.900000113.6T133 D161 H162 Q165T133-A159 PolarHBondContact O-N 3.47Å; A159-D161 PolarHBondContact O-N 3.22Å; A159-D161 VanDerWaalsContact O-N 3.1Å; A159-H162 WeakPolarHBondContact O-CA 3.35Å; A159-H162 WeakPolarHBondContact O-CB 3.46Å; A159-H162 PolarHBondContact O-N 3.35Å; A159-Q165 HydrophobicContact CB-CB 3.4Å; A159-Q165 VanDerWaalsContact CB-CB 3.4Å
160G93.8Very high97.1Very high38 Ų3851.8 Ų51.839%0.39229%0.289SS..G310 helixtrans-62.2-11.9174.500000115.3G135 I158 H162G135-G160 VanDerWaalsContact O-CA 3.26Å; G135-G160 WeakPolarHBondContact O-CA 3.39Å; G135-G160 PolarHBondContact O-N 3.49Å; G135-G160 VanDerWaalsContact O-N 3.11Å; I158-G160 PolarHBondContact O-N 2.91Å; I158-G160 VanDerWaalsContact O-N 3.13Å; G160-H162 VanDerWaalsContact C-N 3.32Å
161D94.8Very high97.1Very high79 Ų7945.4 Ų45.442%0.42226%0.262SS..G310 helixtrans-88.61.6170.9-70.3-36.3000113A137 R141 I158 A159A137-D161 WeakPolarHBondContact CB-OD1 3.42Å; R141-D161 IonicContact CZ-OD1 2.8Å; R141-D161 IonicContact CZ-OD2 3.9Å; R141-D161 IonicContact NE-OD2 3.9Å; R141-D161 IonicContact NH2-OD1 3.51Å; R141-D161 PolarHBondContact NH2-OD1 2.98Å; R141-D161 IonicContact NH2-OD2 3.42Å; R141-D161 PolarHBondContact NH2-OD2 3.15Å; I158-D161 WeakPolarHBondContact O-CB 3.49Å; I158-D161 PolarHBondContact O-N 3Å; A159-D161 PolarHBondContact O-N 3.22Å; A159-D161 VanDerWaalsContact O-N 3.1Å
162H95.1Very high97.2Very high82 Ų8240 Ų4038%0.3824%0.236SC..SBendtrans-131.5164-170.9-58.4-62.9000111.7I158 A159 G160 E164 I171 L174I158-H162 PolarHBondContact O-CD2 3.43Å; A159-H162 WeakPolarHBondContact O-CA 3.35Å; A159-H162 WeakPolarHBondContact O-CB 3.46Å; A159-H162 PolarHBondContact O-N 3.35Å; G160-H162 VanDerWaalsContact C-N 3.32Å; H162-E164 VanDerWaalsContact C-N 3.33Å; H162-E164 PolarHBondContact O-N 3.09Å; H162-I171 HydrophobicContact CB-CD1 3.71Å; H162-I171 VanDerWaalsContact CD2-CD1 3.45Å; H162-I171 WeakPolarHBondContact CD2-CD1 3.28Å; H162-L174 WeakPolarHBondContact CE1-CD2 3.5Å; H162-L174 WeakPolarHBondContact NE2-CD2 3.33Å
163A92.5Very high97.2Very high110 Ų11044.4 Ų44.491%0.90926%0.257SS*.SBendtrans-69.6-31-176.600000113.2
164E95.1Very high97.2Very high78 Ų7845.6 Ų45.636%0.36426%0.264SS..  trans-133.7151.5-178-65.4-179125.700110H162 F168 S170H162-E164 VanDerWaalsContact C-N 3.33Å; H162-E164 PolarHBondContact O-N 3.09Å; E164-F168 HydrophobicContact CB-CB 3.76Å; E164-F168 HydrophobicContact CB-CD2 3.87Å; E164-F168 HydrophobicContact CB-CG 3.91Å; E164-F168 HydrophobicContact CG-CB 4.32Å; E164-F168 HydrophobicContact CG-CD2 4.23Å; E164-F168 HydrophobicContact CG-CG 4.14Å; E164-F168 WeakPolarHBondContact OE1-CD1 3.4Å; E164-S170 VanDerWaalsContact OE2-CB 3.23Å; E164-S170 WeakPolarHBondContact OE2-CB 3.32Å; E164-S170 PolarHBondContact OE2-OG 3.49Å
165Q96.1Very high97.2Very high67 Ų6742.1 Ų42.131%0.31325%0.245SC..  trans-115.7178.4178.765.5177.91.300111.2N134 A159 F168N134-Q165 WeakPolarHBondContact OD1-CB 3.13Å; A159-Q165 HydrophobicContact CB-CB 3.4Å; A159-Q165 VanDerWaalsContact CB-CB 3.4Å; Q165-F168 WeakPolarHBondContact O-CB 3.32Å; Q165-F168 VanDerWaalsContact O-CD2 3.22Å; Q165-F168 WeakPolarHBondContact O-CD2 3.31Å; Q165-F168 PolarHBondContact O-N 3.5Å
166K97.8Very high97.2Very high2 Ų242.1 Ų42.11%0.00924%0.243CC..THydrogen-bonded Turntrans-58135169.8-59.7175.5-74.1-171.10108.8D12 L132 N134 I171 F172 M188 D196D12-K166 IonicContact OD1-NZ 3.61Å; D12-K166 PolarHBondContact OD1-NZ 3.21Å; L132-K166 HydrophobicContact CD2-CD 3.82Å; L132-K166 HydrophobicContact CD2-CG 3.87Å; L132-K166 HydrophobicContact CG-CD 3.83Å; L132-K166 HydrophobicContact CG-CG 4.07Å; L132-K166 PolarHBondContact O-NZ 3.25Å; N134-K166 PolarHBondContact ND2-O 3.11Å; N134-K166 WeakPolarHBondContact OD1-CB 3.23Å; N134-K166 WeakPolarHBondContact OD1-CE 3.48Å; N134-K166 WeakPolarHBondContact OD1-CG 3.26Å; N134-K166 PolarHBondContact OD1-N 3.11Å; K166-I171 HydrophobicContact CG-CG2 4.18Å; K166-F172 HydrophobicContact CB-CE2 4.29Å; K166-F172 HydrophobicContact CD-CZ 4.15Å; K166-F172 HydrophobicContact CG-CE2 3.81Å; K166-F172 HydrophobicContact CG-CZ 3.84Å; K166-M188 HydrophobicContact CD-CE 3.99Å; K166-D196 VanDerWaalsContact CD-OD1 3.28Å; K166-D196 WeakPolarHBondContact CD-OD1 3.46Å; K166-D196 VanDerWaalsContact CE-OD1 3.24Å; K166-D196 WeakPolarHBondContact CE-OD1 3.46Å; K166-D196 IonicContact NZ-OD1 3.1Å; K166-D196 PolarHBondContact NZ-OD1 3.15Å
167P97.6Very high97.2Very high34 Ų3447.5 Ų47.522%0.22126%0.258CS..THydrogen-bonded Turncis-99.42016.838.7-38.1000115.9D194 Q198 G199 N202P167-D194 WeakPolarHBondContact CB-O 3.38Å; P167-D194 VanDerWaalsContact CG-O 3.29Å; P167-D194 WeakPolarHBondContact CG-O 3.41Å; P167-Q198 HydrophobicContact CB-CB 4.09Å; P167-Q198 HydrophobicContact CB-CG 4.14Å; P167-G199 WeakPolarHBondContact O-CA 3.44Å; P167-N202 PolarHBondContact O-ND2 3.25Å
168F98.2Very high97.2Very high100 Ų10052 Ų5244%0.43928%0.28SS..SBendtrans-71.2133.2-177.6-68.1-78.9000111.9E164 Q165 S170 I171 F172E164-F168 HydrophobicContact CB-CB 3.76Å; E164-F168 HydrophobicContact CB-CD2 3.87Å; E164-F168 HydrophobicContact CB-CG 3.91Å; E164-F168 HydrophobicContact CG-CB 4.32Å; E164-F168 HydrophobicContact CG-CD2 4.23Å; E164-F168 HydrophobicContact CG-CG 4.14Å; E164-F168 WeakPolarHBondContact OE1-CD1 3.4Å; Q165-F168 WeakPolarHBondContact O-CB 3.32Å; Q165-F168 VanDerWaalsContact O-CD2 3.22Å; Q165-F168 WeakPolarHBondContact O-CD2 3.31Å; Q165-F168 PolarHBondContact O-N 3.5Å; F168-S170 PolarHBondContact O-N 3.18Å; F168-S170 VanDerWaalsContact O-N 3.11Å; F168-I171 WeakPolarHBondContact O-CG2 3.31Å; F168-I171 PolarHBondContact O-N 3.16Å; F168-F172 WeakPolarHBondContact O-CD2 3.47Å
169P98.1Very high97.2Very high44 Ų4451.7 Ų51.729%0.28628%0.279SS..Hα-helixtrans-57.5-27.8-179.2-27.633.4000115.4I171 F172 Q173 N202P169-I171 VanDerWaalsContact C-N 3.3Å; P169-I171 PolarHBondContact O-N 2.87Å; P169-F172 PolarHBondContact O-N 3.45Å; P169-Q173 WeakPolarHBondContact O-CG 3.48Å; P169-Q173 PolarHBondContact O-N 3.38Å; P169-N202 HydrophobicContact CG-CB 3.88Å
170S98.4Very high97.3Very high42 Ų4259.6 Ų59.629%0.29432%0.316SS..Hα-helixtrans-60-38-174.658.30000112.7E164 F168 Q173 L174E164-S170 VanDerWaalsContact OE2-CB 3.23Å; E164-S170 WeakPolarHBondContact OE2-CB 3.32Å; E164-S170 PolarHBondContact OE2-OG 3.49Å; F168-S170 PolarHBondContact O-N 3.18Å; F168-S170 VanDerWaalsContact O-N 3.11Å; S170-Q173 PolarHBondContact O-N 3.33Å; S170-L174 PolarHBondContact O-N 3.34Å
171I98.5Very high97.5Very high3 Ų358.4 Ų58.42%0.01530%0.3CS..Hα-helixtrans-70.8-35.8178.1-158.366.8000111.6L132 V157 H162 K166 F168 P169 L174 C175L132-I171 HydrophobicContact CD1-CG1 3.69Å; L132-I171 HydrophobicContact CD1-CG2 4.35Å; L132-I171 HydrophobicContact CD2-CG2 4.4Å; V157-I171 HydrophobicContact CG1-CD1 3.82Å; V157-I171 HydrophobicContact CG1-CG1 4.08Å; H162-I171 HydrophobicContact CB-CD1 3.71Å; H162-I171 VanDerWaalsContact CD2-CD1 3.45Å; H162-I171 WeakPolarHBondContact CD2-CD1 3.28Å; K166-I171 HydrophobicContact CG-CG2 4.18Å; F168-I171 WeakPolarHBondContact O-CG2 3.31Å; F168-I171 PolarHBondContact O-N 3.16Å; P169-I171 VanDerWaalsContact C-N 3.3Å; P169-I171 PolarHBondContact O-N 2.87Å; I171-L174 HydrophobicContact CD1-CD2 4.18Å; I171-L174 WeakPolarHBondContact O-CB 3.21Å; I171-L174 PolarHBondContact O-N 3.27Å; I171-C175 PolarHBondContact O-N 3.05Å; I171-C175 VanDerWaalsContact O-N 3.15Å; I171-C175 PolarHBondContact O-SG 2.73Å
172F98.8Very high97.6Very high0 Ų060.2 Ų60.20%031%0.306CS..Hα-helixtrans-68.5-41.4173.9-70.2-95.1000111.3L10 L132 K166 F168 P169 L174 C175 F176 M188 G199 A203L10-F172 HydrophobicContact CD1-CD1 3.77Å; L10-F172 HydrophobicContact CD1-CE1 4.26Å; L132-F172 HydrophobicContact CD2-CD1 4.04Å; L132-F172 HydrophobicContact CD2-CE1 3.81Å; L132-F172 HydrophobicContact CD2-CE2 4.37Å; L132-F172 HydrophobicContact CD2-CG 4.42Å; L132-F172 HydrophobicContact CD2-CZ 3.98Å; K166-F172 HydrophobicContact CB-CE2 4.29Å; K166-F172 HydrophobicContact CD-CZ 4.15Å; K166-F172 HydrophobicContact CG-CE2 3.81Å; K166-F172 HydrophobicContact CG-CZ 3.84Å; F168-F172 WeakPolarHBondContact O-CD2 3.47Å; P169-F172 PolarHBondContact O-N 3.45Å; F172-L174 VanDerWaalsContact C-N 3.25Å; F172-L174 PolarHBondContact O-N 2.93Å; F172-C175 WeakPolarHBondContact O-CA 3.13Å; F172-C175 VanDerWaalsContact O-CB 3.26Å; F172-C175 WeakPolarHBondContact O-CB 3.4Å; F172-C175 PolarHBondContact O-N 3.3Å; F172-F176 HydrophobicContact CB-CE1 4.38Å; F172-F176 HydrophobicContact CB-CE2 4.06Å; F172-F176 HydrophobicContact CB-CZ 3.79Å; F172-F176 WeakPolarHBondContact O-CD1 3.21Å; F172-F176 WeakPolarHBondContact O-CD2 3.46Å; F172-F176 WeakPolarHBondContact O-CG 3.36Å; F172-F176 PolarHBondContact O-N 3.5Å; F172-M188 HydrophobicContact CE1-CB 4.44Å; F172-M188 HydrophobicContact CE1-CG 4Å; F172-M188 HydrophobicContact CE1-SD 3.8Å; F172-M188 HydrophobicContact CZ-SD 4.4Å; F172-G199 VanDerWaalsContact CE2-C 3.46Å; F172-G199 VanDerWaalsContact CE2-CA 3.46Å; F172-A203 HydrophobicContact CB-CB 3.45Å; F172-A203 VanDerWaalsContact CB-CB 3.45Å; F172-A203 HydrophobicContact CD1-CB 4.06Å; F172-A203 HydrophobicContact CD2-CB 4.06Å; F172-A203 HydrophobicContact CG-CB 3.6Å
173Q98.6Very high97.8Very high98 Ų9857.1 Ų57.146%0.45830%0.295SS..Hα-helixtrans-60.8-35.2174.7-69.6171.35.600112.2P169 S170 R177P169-Q173 WeakPolarHBondContact O-CG 3.48Å; P169-Q173 PolarHBondContact O-N 3.38Å; S170-Q173 PolarHBondContact O-N 3.33Å; Q173-R177 WeakPolarHBondContact O-CG 3.23Å; Q173-R177 PolarHBondContact O-N 2.9Å; Q173-R177 VanDerWaalsContact O-N 3.09Å; Q173-R177 PolarHBondContact O-NH1 2.98Å
174L98.6Very high98Very high36 Ų3654.9 Ų54.919%0.18827%0.265CS..Hα-helixtrans-60.9-48.1170.4175.266.5000111.1V157 H162 S170 I171 F172 F176 R177 M178V157-L174 HydrophobicContact CG1-CD2 4.25Å; H162-L174 WeakPolarHBondContact CE1-CD2 3.5Å; H162-L174 WeakPolarHBondContact NE2-CD2 3.33Å; S170-L174 PolarHBondContact O-N 3.34Å; I171-L174 HydrophobicContact CD1-CD2 4.18Å; I171-L174 WeakPolarHBondContact O-CB 3.21Å; I171-L174 PolarHBondContact O-N 3.27Å; F172-L174 VanDerWaalsContact C-N 3.25Å; F172-L174 PolarHBondContact O-N 2.93Å; L174-F176 VanDerWaalsContact C-N 3.34Å; L174-F176 PolarHBondContact O-N 2.81Å; L174-R177 PolarHBondContact O-N 3.35Å; L174-M178 HydrophobicContact CD1-CG 4.3Å; L174-M178 HydrophobicContact CD1-SD 4.3Å; L174-M178 HydrophobicContact CG-SD 4.12Å; L174-M178 WeakPolarHBondContact O-CG 3.36Å; L174-M178 PolarHBondContact O-N 3.11Å
175C98.7Very high98.1Very high0 Ų051.3 Ų51.30%025%0.249CC..Hα-helixtrans-56.4-47.2177.2-61.80000111.8L10 L130 I171 F172 R177 M178 L179L10-C175 HydrophobicContact CD1-CB 4.15Å; L10-C175 HydrophobicContact CD2-CB 4.11Å; L130-C175 HydrophobicContact CD1-CB 3.64Å; L130-C175 HydrophobicContact CD2-CB 4.07Å; L130-C175 VanDerWaalsContact CD2-SG 3.53Å; I171-C175 PolarHBondContact O-N 3.05Å; I171-C175 VanDerWaalsContact O-N 3.15Å; I171-C175 PolarHBondContact O-SG 2.73Å; F172-C175 WeakPolarHBondContact O-CA 3.13Å; F172-C175 VanDerWaalsContact O-CB 3.26Å; F172-C175 WeakPolarHBondContact O-CB 3.4Å; F172-C175 PolarHBondContact O-N 3.3Å; C175-R177 PolarHBondContact O-N 2.94Å; C175-M178 PolarHBondContact O-N 2.93Å; C175-L179 WeakPolarHBondContact O-CG 3.31Å; C175-L179 PolarHBondContact O-N 3.16Å
176F98.6Very high98.2Very high15 Ų1548.1 Ų48.17%0.06623%0.234CC..Hα-helixtrans-59.9-44.1178.6-56-24.3000112.1L10 F172 L174 L179 Q180 V181 A183 C186 A203 V205L10-F176 HydrophobicContact CD1-CE1 3.88Å; F172-F176 HydrophobicContact CB-CE1 4.38Å; F172-F176 HydrophobicContact CB-CE2 4.06Å; F172-F176 HydrophobicContact CB-CZ 3.79Å; F172-F176 WeakPolarHBondContact O-CD1 3.21Å; F172-F176 WeakPolarHBondContact O-CD2 3.46Å; F172-F176 WeakPolarHBondContact O-CG 3.36Å; F172-F176 PolarHBondContact O-N 3.5Å; L174-F176 VanDerWaalsContact C-N 3.34Å; L174-F176 PolarHBondContact O-N 2.81Å; F176-L179 CarbonylContact O-C 3.55Å; F176-L179 PolarHBondContact O-N 2.93Å; F176-Q180 WeakPolarHBondContact O-CA 3.2Å; F176-Q180 PolarHBondContact O-N 2.94Å; F176-V181 HydrophobicContact CB-CG2 4.49Å; F176-V181 WeakPolarHBondContact CB-O 3.33Å; F176-V181 HydrophobicContact CD1-CG2 4.5Å; F176-V181 PolarHBondContact O-N 3.44Å; F176-A183 HydrophobicContact CD2-CB 4.11Å; F176-A183 HydrophobicContact CE2-CB 3.51Å; F176-A183 HydrophobicContact CZ-CB 3.85Å; F176-C186 HydrophobicContact CD1-CB 4.41Å; F176-C186 WeakPolarHBondContact CD1-SG 3.38Å; F176-C186 HydrophobicContact CE1-CB 3.86Å; F176-C186 VanDerWaalsContact CE1-SG 3.55Å; F176-A203 HydrophobicContact CE2-CB 4.27Å; F176-A203 HydrophobicContact CZ-CB 4.11Å; F176-V205 HydrophobicContact CE1-CG1 4.17Å; F176-V205 HydrophobicContact CZ-CG1 3.77Å
177R98.6Very high98.3Very high154 Ų15448 Ų4858%0.58123%0.234SC*.Hα-helixtrans-63.5-43.8176.3-73.5-171.7-58.8-91.61.3112.3Q173 L174 C175 L179 Q180Q173-R177 WeakPolarHBondContact O-CG 3.23Å; Q173-R177 PolarHBondContact O-N 2.9Å; Q173-R177 VanDerWaalsContact O-N 3.09Å; Q173-R177 PolarHBondContact O-NH1 2.98Å; L174-R177 PolarHBondContact O-N 3.35Å; C175-R177 PolarHBondContact O-N 2.94Å; R177-L179 VanDerWaalsContact C-N 3.3Å; R177-L179 PolarHBondContact O-N 3.49Å; R177-Q180 PolarHBondContact O-N 3.28Å
178M98.5Very high98.3Very high96 Ų9646.4 Ų46.447%0.47322%0.223SC..Hα-helixtrans-61.8-40.8178.1-71.5179.174.900111.6A155 V157 L174 C175A155-M178 HydrophobicContact CB-CE 3.76Å; V157-M178 HydrophobicContact CG2-CE 4.4Å; V157-M178 HydrophobicContact CG2-SD 3.66Å; L174-M178 HydrophobicContact CD1-CG 4.3Å; L174-M178 HydrophobicContact CD1-SD 4.3Å; L174-M178 HydrophobicContact CG-SD 4.12Å; L174-M178 WeakPolarHBondContact O-CG 3.36Å; L174-M178 PolarHBondContact O-N 3.11Å; C175-M178 PolarHBondContact O-N 2.93Å
179L98.5Very high98.4Very high6 Ų641.6 Ų41.63%0.03120%0.202CC..Hα-helixtrans-83.2-8.9178.3-65.5-172.9000113.5A8 L10 K128 L130 D154 A155 C175 F176 R177 V181A8-L179 HydrophobicContact CB-CD1 3.69Å; L10-L179 HydrophobicContact CD2-CD1 3.96Å; K128-L179 HydrophobicContact CB-CD1 4.18Å; K128-L179 HydrophobicContact CB-CD2 4.12Å; K128-L179 HydrophobicContact CD-CB 4.18Å; K128-L179 HydrophobicContact CD-CD2 4.47Å; K128-L179 VanDerWaalsContact CD-O 3.24Å; K128-L179 WeakPolarHBondContact CD-O 3.33Å; K128-L179 WeakPolarHBondContact CE-O 3.24Å; K128-L179 PolarHBondContact NZ-O 3.32Å; L130-L179 HydrophobicContact CB-CD1 3.81Å; L130-L179 HydrophobicContact CB-CD2 4.25Å; L130-L179 HydrophobicContact CB-CG 4.25Å; L130-L179 HydrophobicContact CD1-CD1 4.11Å; L130-L179 HydrophobicContact CD1-CD2 4.21Å; L130-L179 HydrophobicContact CD1-CG 3.86Å; D154-L179 HydrophobicContact CB-CD2 4.26Å; A155-L179 HydrophobicContact CB-CD2 4.42Å; C175-L179 WeakPolarHBondContact O-CG 3.31Å; C175-L179 PolarHBondContact O-N 3.16Å; F176-L179 CarbonylContact O-C 3.55Å; F176-L179 PolarHBondContact O-N 2.93Å; R177-L179 VanDerWaalsContact C-N 3.3Å; R177-L179 PolarHBondContact O-N 3.49Å; L179-V181 HydrophobicContact CB-CG1 4.31Å; L179-V181 HydrophobicContact CB-CG2 3.77Å; L179-V181 HydrophobicContact CD1-CG2 4.49Å
180Q98.1Very high98.4Very high168 Ų16839.5 Ų39.579%0.78519%0.189SC*.THydrogen-bonded Turntrans53.250.9-173.2-55.5177.5-6.500112.3F176 R177F176-Q180 WeakPolarHBondContact O-CA 3.2Å; F176-Q180 PolarHBondContact O-N 2.94Å; R177-Q180 PolarHBondContact O-N 3.28Å
181V98.1Very high98.3Very high12 Ų1239.9 Ų39.97%0.07319%0.187CC..  trans-132166.1178.3-63.40000109.8K7 A8 K128 F176 L179 D185 C186K7-V181 HydrophobicContact CB-CG1 4.18Å; A8-V181 HydrophobicContact CB-CG1 4.24Å; A8-V181 HydrophobicContact CB-CG2 4.02Å; K128-V181 HydrophobicContact CD-CG1 4.25Å; F176-V181 HydrophobicContact CB-CG2 4.49Å; F176-V181 WeakPolarHBondContact CB-O 3.33Å; F176-V181 HydrophobicContact CD1-CG2 4.5Å; F176-V181 PolarHBondContact O-N 3.44Å; L179-V181 HydrophobicContact CB-CG1 4.31Å; L179-V181 HydrophobicContact CB-CG2 3.77Å; L179-V181 HydrophobicContact CD1-CG2 4.49Å; V181-D185 HydrophobicContact CB-CB 4.34Å; V181-C186 WeakPolarHBondContact CG2-SG 3.29Å
182E97.9Very high98.1Very high118 Ų11841.5 Ų41.555%0.55120%0.199SC*.  trans-98.9161.2173.5-61-64.9148.200111.1Q184 D185 C186E182-Q184 VanDerWaalsContact C-N 3.3Å; E182-Q184 VanDerWaalsContact CB-CD 3.45Å; E182-Q184 HydrophobicContact CB-CG 4.49Å; E182-Q184 PolarHBondContact O-N 2.91Å; E182-D185 PolarHBondContact N-OD2 3.11Å; E182-D185 WeakPolarHBondContact O-CB 3.23Å; E182-D185 PolarHBondContact O-N 3.5Å; E182-C186 PolarHBondContact O-SG 3.22Å
183A97.9Very high97.9Very high16 Ų1643.1 Ų43.113%0.13221%0.207CC..G310 helixtrans-54.4-45.1179.500000112.3F176 D185 C186 A203 K204 V205 R206F176-A183 HydrophobicContact CD2-CB 4.11Å; F176-A183 HydrophobicContact CE2-CB 3.51Å; F176-A183 HydrophobicContact CZ-CB 3.85Å; A183-D185 PolarHBondContact O-N 3.19Å; A183-C186 WeakPolarHBondContact O-CB 3.48Å; A183-C186 PolarHBondContact O-N 3.46Å; A183-A203 WeakPolarHBondContact CB-O 3.3Å; A183-K204 WeakPolarHBondContact CB-O 3.2Å; A183-V205 VanDerWaalsContact O-CA 3.31Å; A183-V205 WeakPolarHBondContact O-CA 3.5Å; A183-R206 PolarHBondContact O-N 3.46Å
184Q97.3Very high97.7Very high63 Ų6344 Ų4429%0.29422%0.215SC..G310 helixtrans-68.4-4.9179.171.1-83.2-7.200115.4K4 E182 R206K4-Q184 HydrophobicContact CD-CG 3.57Å; E182-Q184 VanDerWaalsContact C-N 3.3Å; E182-Q184 VanDerWaalsContact CB-CD 3.45Å; E182-Q184 HydrophobicContact CB-CG 4.49Å; E182-Q184 PolarHBondContact O-N 2.91Å; Q184-R206 WeakPolarHBondContact O-CB 3.45Å
185D97.4Very high97.5Very high3 Ų343.9 Ų43.92%0.01622%0.216CC..G310 helixtrans-96-5.4173.6-58.2-19.5000111.6K7 A8 V181 E182 A183K7-D185 HydrophobicContact CB-CB 4.04Å; K7-D185 HydrophobicContact CD-CB 4.05Å; K7-D185 WeakPolarHBondContact CD-OD2 3.38Å; K7-D185 WeakPolarHBondContact CE-OD2 3.44Å; K7-D185 HydrophobicContact CG-CB 4.03Å; K7-D185 PolarHBondContact N-O 2.92Å; K7-D185 IonicContact NZ-OD1 3.79Å; K7-D185 IonicContact NZ-OD2 2.79Å; K7-D185 PolarHBondContact NZ-OD2 3.24Å; A8-D185 PolarHBondContact N-O 3.05Å; A8-D185 VanDerWaalsContact N-O 3.15Å; V181-D185 HydrophobicContact CB-CB 4.34Å; E182-D185 PolarHBondContact N-OD2 3.11Å; E182-D185 WeakPolarHBondContact O-CB 3.23Å; E182-D185 PolarHBondContact O-N 3.5Å; A183-D185 PolarHBondContact O-N 3.19Å
186C98.5Very high97.5Very high0 Ų044 Ų440%022%0.216CC..EExtended strand (participates in β ladder)trans-107.4145.5-170.5-59.70000112.8A8 F176 V181 E182 A183 V205 R206A8-C186 CarbonylContact O-C 3.57Å; A8-C186 VanDerWaalsContact O-CA 3.32Å; A8-C186 WeakPolarHBondContact O-CA 3.3Å; F176-C186 HydrophobicContact CD1-CB 4.41Å; F176-C186 WeakPolarHBondContact CD1-SG 3.38Å; F176-C186 HydrophobicContact CE1-CB 3.86Å; F176-C186 VanDerWaalsContact CE1-SG 3.55Å; V181-C186 WeakPolarHBondContact CG2-SG 3.29Å; E182-C186 PolarHBondContact O-SG 3.22Å; A183-C186 WeakPolarHBondContact O-CB 3.48Å; A183-C186 PolarHBondContact O-N 3.46Å; C186-V205 HydrophobicContact CB-CB 4.47Å; C186-V205 HydrophobicContact CB-CG1 4.31Å; C186-R206 WeakPolarHBondContact O-CB 3.39Å; C186-R206 PolarHBondContact O-N 3.45Å
187V98.8Very high97.5Very high0 Ų043.2 Ų43.20%021%0.213CC..EExtended strand (participates in β ladder)trans-113.7133.5165.7176.90000108.9V6 A8 I9 L10 V189 A207 V209 L239 L242V6-V187 HydrophobicContact CG1-CG2 3.9Å; V6-V187 HydrophobicContact CG2-CG2 3.9Å; A8-V187 PolarHBondContact O-N 2.82Å; I9-V187 WeakPolarHBondContact CA-O 3.45Å; L10-V187 PolarHBondContact N-O 3.19Å; V187-V189 HydrophobicContact CG1-CG2 4.07Å; V187-A207 WeakPolarHBondContact CA-O 3.4Å; V187-A207 HydrophobicContact CG2-CB 4.39Å; V187-V209 HydrophobicContact CG1-CG2 3.68Å; V187-L239 HydrophobicContact CG2-CD2 4.31Å; V187-L242 HydrophobicContact CG2-CD1 3.87Å
188M98.8Very high97.5Very high0 Ų038.3 Ų38.30%020%0.197CC..EExtended strand (participates in β ladder)trans-98.9128.9171.9179.459.5-162.400109.9L10 D12 K166 F172 D196 V205 A207 T208 V209L10-M188 HydrophobicContact CB-SD 3.68Å; D12-M188 HydrophobicContact CB-CE 4.25Å; K166-M188 HydrophobicContact CD-CE 3.99Å; F172-M188 HydrophobicContact CE1-CB 4.44Å; F172-M188 HydrophobicContact CE1-CG 4Å; F172-M188 HydrophobicContact CE1-SD 3.8Å; F172-M188 HydrophobicContact CZ-SD 4.4Å; M188-D196 HydrophobicContact CE-CB 3.55Å; M188-D196 WeakPolarHBondContact CE-OD1 3.38Å; M188-D196 HydrophobicContact CG-CB 4.4Å; M188-D196 WeakPolarHBondContact CG-O 3.29Å; M188-V205 HydrophobicContact CB-CG2 4.27Å; M188-A207 PolarHBondContact N-O 3.37Å; M188-T208 HydrophobicContact CB-CG2 4.45Å; M188-T208 CarbonylContact O-C 3.6Å; M188-T208 WeakPolarHBondContact O-CA 3.28Å; M188-V209 PolarHBondContact O-N 3.18Å
189V98.9Very high97.5Very high0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-123.2122.6-179.5-172.70000109.1I9 L10 F11 D12 T16 V187 V209 I211 L235I9-V189 HydrophobicContact CG2-CG2 3.64Å; L10-V189 PolarHBondContact O-N 2.79Å; F11-V189 HydrophobicContact CD1-CB 3.88Å; F11-V189 HydrophobicContact CD1-CG1 4.08Å; F11-V189 HydrophobicContact CD1-CG2 4.42Å; F11-V189 HydrophobicContact CE1-CB 4.04Å; F11-V189 HydrophobicContact CE1-CG1 4.04Å; F11-V189 HydrophobicContact CE1-CG2 4.17Å; D12-V189 PolarHBondContact N-O 3.47Å; T16-V189 HydrophobicContact CG2-CG1 4.42Å; V187-V189 HydrophobicContact CG1-CG2 4.07Å; V189-V209 WeakPolarHBondContact CA-O 3.4Å; V189-V209 HydrophobicContact CG1-CB 4.4Å; V189-V209 HydrophobicContact CG2-CB 4.19Å; V189-V209 HydrophobicContact CG2-CG2 4.43Å; V189-I211 HydrophobicContact CG1-CD1 3.88Å; V189-I211 HydrophobicContact CG1-CG1 4.13Å; V189-L235 HydrophobicContact CG2-CD1 3.91Å; V189-L235 HydrophobicContact CG2-CD2 4Å
190G98.3Very high97.5Very high0 Ų033.4 Ų33.40%017%0.173CC..EExtended strand (participates in β ladder)trans-169.3172.717900000113.8T16 D196 V209 W210 I211T16-G190 WeakPolarHBondContact OG1-CA 3.23Å; G190-D196 WeakPolarHBondContact CA-OD2 3.48Å; G190-V209 PolarHBondContact N-O 3.27Å; G190-V209 VanDerWaalsContact N-O 3.15Å; G190-W210 WeakPolarHBondContact O-CA 3.15Å; G190-I211 PolarHBondContact O-N 3.41Å
191D96.2Very high97.5Very high49 Ų4928.8 Ų28.826%0.26216%0.155SC..SBendtrans-98.1-11.9-176.980.3-45.7000113N15 T16 D196 W210 I211N15-D191 HydrophobicContact CB-CB 4.5Å; N15-D191 VanDerWaalsContact CB-OD2 3.32Å; N15-D191 WeakPolarHBondContact CB-OD2 3.13Å; T16-D191 PolarHBondContact OG1-N 2.86Å; D191-D196 PolarHBondContact N-OD2 3.33Å; D191-W210 PolarHBondContact O-NE1 3.09Å; D191-I211 HydrophobicContact CB-CB 4.48Å
192S94.8Very high97.5Very high37 Ų3731.4 Ų31.426%0.25917%0.169SC..  trans-104.8115.1-173.4179.30000112.5D194 T195 D196 I197S192-D194 PolarHBondContact O-N 2.73Å; S192-T195 WeakPolarHBondContact CB-OG1 3.2Å; S192-T195 PolarHBondContact O-N 3.17Å; S192-T195 PolarHBondContact OG-OG1 3.45Å; S192-D196 WeakPolarHBondContact CB-OD2 3.47Å; S192-D196 PolarHBondContact N-OD2 3.45Å; S192-D196 WeakPolarHBondContact O-CB 3.47Å; S192-D196 PolarHBondContact O-N 2.91Å; S192-I197 PolarHBondContact O-N 2.85Å
193L94.6Very high97.5Very high35 Ų3526.3 Ų26.318%0.18315%0.147CC..Iπ-helixtrans-58.3-49.7176.4-73.5170.6000112T195 I197 Q198 W210 L219 V223 P225L193-T195 VanDerWaalsContact C-N 3.28Å; L193-T195 PolarHBondContact O-N 3.38Å; L193-I197 HydrophobicContact CD2-CB 4.32Å; L193-I197 HydrophobicContact CD2-CG1 4.09Å; L193-I197 HydrophobicContact CD2-CG2 4.43Å; L193-Q198 WeakPolarHBondContact O-CB 3.37Å; L193-Q198 PolarHBondContact O-N 3.44Å; L193-W210 HydrophobicContact CD1-CH2 4.15Å; L193-W210 HydrophobicContact CD1-CZ2 3.93Å; L193-W210 HydrophobicContact CD2-CD2 3.82Å; L193-W210 HydrophobicContact CD2-CE3 4.2Å; L193-W210 HydrophobicContact CD2-CG 4.08Å; L193-W210 HydrophobicContact CD2-CZ2 4.46Å; L193-W210 HydrophobicContact CG-CD2 4.18Å; L193-W210 HydrophobicContact CG-CZ2 3.98Å; L193-L219 HydrophobicContact CD1-CD2 4.48Å; L193-V223 HydrophobicContact CB-CB 4.48Å; L193-P225 HydrophobicContact CD2-CG 4.34Å
194D94Very high97.5Very high116 Ų11633.5 Ų33.562%0.6218%0.176SC*.Iπ-helixtrans-74-16.8-173-65.3-29.7000113.9P167 S192P167-D194 WeakPolarHBondContact CB-O 3.38Å; P167-D194 VanDerWaalsContact CG-O 3.29Å; P167-D194 WeakPolarHBondContact CG-O 3.41Å; S192-D194 PolarHBondContact O-N 2.73Å
195T96.1Very high97.5Very high34 Ų3431.3 Ų31.321%0.20917%0.166CC..Iπ-helixtrans-113.7-62.5-179.366.50000112.1S192 L193 G199S192-T195 WeakPolarHBondContact CB-OG1 3.2Å; S192-T195 PolarHBondContact O-N 3.17Å; S192-T195 PolarHBondContact OG-OG1 3.45Å; L193-T195 VanDerWaalsContact C-N 3.28Å; L193-T195 PolarHBondContact O-N 3.38Å; T195-G199 WeakPolarHBondContact O-CA 3.48Å; T195-G199 PolarHBondContact O-N 2.97Å
196D98.3Very high97.5Very high1 Ų134.8 Ų34.81%0.00518%0.179CC..Iπ-helixtrans-68.9-53.8-175.4-59.4-45.1000111.7K166 M188 G190 D191 S192 G199 G200K166-D196 VanDerWaalsContact CD-OD1 3.28Å; K166-D196 WeakPolarHBondContact CD-OD1 3.46Å; K166-D196 VanDerWaalsContact CE-OD1 3.24Å; K166-D196 WeakPolarHBondContact CE-OD1 3.46Å; K166-D196 IonicContact NZ-OD1 3.1Å; K166-D196 PolarHBondContact NZ-OD1 3.15Å; M188-D196 HydrophobicContact CE-CB 3.55Å; M188-D196 WeakPolarHBondContact CE-OD1 3.38Å; M188-D196 HydrophobicContact CG-CB 4.4Å; M188-D196 WeakPolarHBondContact CG-O 3.29Å; G190-D196 WeakPolarHBondContact CA-OD2 3.48Å; D191-D196 PolarHBondContact N-OD2 3.33Å; S192-D196 WeakPolarHBondContact CB-OD2 3.47Å; S192-D196 PolarHBondContact N-OD2 3.45Å; S192-D196 WeakPolarHBondContact O-CB 3.47Å; S192-D196 PolarHBondContact O-N 2.91Å; D196-G199 PolarHBondContact O-N 3.3Å; D196-G200 PolarHBondContact O-N 3.09Å
197I98.1Very high97.5Very high0 Ų034.8 Ų34.80%018%0.18CC..Iπ-helixtrans-74.1-51.6-173.4-52.2-52.5000109.7S192 L193 G199 G200 V201 T208 W210 V223 P225S192-I197 PolarHBondContact O-N 2.85Å; L193-I197 HydrophobicContact CD2-CB 4.32Å; L193-I197 HydrophobicContact CD2-CG1 4.09Å; L193-I197 HydrophobicContact CD2-CG2 4.43Å; I197-G199 PolarHBondContact O-N 2.78Å; I197-G200 PolarHBondContact O-N 2.66Å; I197-V201 WeakPolarHBondContact O-CG2 3.39Å; I197-V201 PolarHBondContact O-N 3.04Å; I197-T208 HydrophobicContact CG2-CG2 4.43Å; I197-W210 HydrophobicContact CD1-CB 3.8Å; I197-W210 HydrophobicContact CD1-CG 4.41Å; I197-W210 HydrophobicContact CG1-CB 4.01Å; I197-W210 HydrophobicContact CG1-CG 4.19Å; I197-V223 HydrophobicContact CB-CG1 4.07Å; I197-V223 HydrophobicContact CG2-CG1 3.73Å; I197-P225 HydrophobicContact CD1-CB 4.33Å; I197-P225 HydrophobicContact CG1-CB 4.38Å; I197-P225 HydrophobicContact CG2-CB 3.7Å
198Q97.9Very high97.5Very high50 Ų5034.9 Ų34.923%0.23418%0.18CC..Hα-helixtrans-59.6-36.4175.4-172.758.668.500111.5P167 L193 V201 N202 V223P167-Q198 HydrophobicContact CB-CB 4.09Å; P167-Q198 HydrophobicContact CB-CG 4.14Å; L193-Q198 WeakPolarHBondContact O-CB 3.37Å; L193-Q198 PolarHBondContact O-N 3.44Å; Q198-V201 PolarHBondContact O-N 3.32Å; Q198-N202 PolarHBondContact NE2-OD1 3.4Å; Q198-N202 VanDerWaalsContact O-CB 3.29Å; Q198-N202 WeakPolarHBondContact O-CB 3.2Å; Q198-N202 PolarHBondContact O-N 2.86Å; Q198-N202 PolarHBondContact O-ND2 2.76Å; Q198-N202 PolarHBondContact O-OD1 3.17Å; Q198-V223 HydrophobicContact CB-CG1 4.01Å; Q198-V223 HydrophobicContact CB-CG2 4.28Å
199G98.3Very high97.5Very high0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-64.7-46.1175.600000112.9P167 F172 T195 D196 I197 V201 N202 A203P167-G199 WeakPolarHBondContact O-CA 3.44Å; F172-G199 VanDerWaalsContact CE2-C 3.46Å; F172-G199 VanDerWaalsContact CE2-CA 3.46Å; T195-G199 WeakPolarHBondContact O-CA 3.48Å; T195-G199 PolarHBondContact O-N 2.97Å; D196-G199 PolarHBondContact O-N 3.3Å; I197-G199 PolarHBondContact O-N 2.78Å; G199-V201 PolarHBondContact O-N 2.98Å; G199-N202 PolarHBondContact O-N 2.73Å; G199-A203 VanDerWaalsContact O-CB 3.25Å; G199-A203 WeakPolarHBondContact O-CB 3.46Å; G199-A203 PolarHBondContact O-N 3.17Å
200G98.4Very high97.4Very high0 Ų035.5 Ų35.50%018%0.182CC..Hα-helixtrans-59-45.5173.500000112.1D196 I197 A203 K204 V205D196-G200 PolarHBondContact O-N 3.09Å; I197-G200 PolarHBondContact O-N 2.66Å; G200-A203 CarbonylContact O-C 3.59Å; G200-A203 PolarHBondContact O-N 3.39Å; G200-K204 PolarHBondContact O-N 2.97Å; G200-V205 WeakPolarHBondContact O-CG2 3.4Å; G200-V205 PolarHBondContact O-N 3.05Å
201V98.1Very high97.3Very high70 Ų7035.7 Ų35.742%0.42418%0.183SC..Hα-helixtrans-59.6-49.4175.4170.90000111.1I197 Q198 G199 A203 K204 T208I197-V201 WeakPolarHBondContact O-CG2 3.39Å; I197-V201 PolarHBondContact O-N 3.04Å; Q198-V201 PolarHBondContact O-N 3.32Å; G199-V201 PolarHBondContact O-N 2.98Å; V201-A203 VanDerWaalsContact C-N 3.27Å; V201-A203 PolarHBondContact O-N 3.25Å; V201-K204 PolarHBondContact O-N 3.49Å; V201-T208 HydrophobicContact CG2-CG2 4.37Å
202N98.3Very high97Very high67 Ų6735 Ų3536%0.35818%0.178SC..Hα-helixtrans-60.9-37.5179.1-70.5-15.8000112P167 P169 Q198 G199 K204P167-N202 PolarHBondContact O-ND2 3.25Å; P169-N202 HydrophobicContact CG-CB 3.88Å; Q198-N202 PolarHBondContact NE2-OD1 3.4Å; Q198-N202 VanDerWaalsContact O-CB 3.29Å; Q198-N202 WeakPolarHBondContact O-CB 3.2Å; Q198-N202 PolarHBondContact O-N 2.86Å; Q198-N202 PolarHBondContact O-ND2 2.76Å; Q198-N202 PolarHBondContact O-OD1 3.17Å; G199-N202 PolarHBondContact O-N 2.73Å; N202-K204 VanDerWaalsContact C-N 3.29Å
203A98.3Very high96.1Very high12 Ų1238 Ų3810%0.09918%0.184CC..Hα-helixtrans-81-7.2177.800000113.7F172 F176 A183 G199 G200 V201 V205F172-A203 HydrophobicContact CB-CB 3.45Å; F172-A203 VanDerWaalsContact CB-CB 3.45Å; F172-A203 HydrophobicContact CD1-CB 4.06Å; F172-A203 HydrophobicContact CD2-CB 4.06Å; F172-A203 HydrophobicContact CG-CB 3.6Å; F176-A203 HydrophobicContact CE2-CB 4.27Å; F176-A203 HydrophobicContact CZ-CB 4.11Å; A183-A203 WeakPolarHBondContact CB-O 3.3Å; G199-A203 VanDerWaalsContact O-CB 3.25Å; G199-A203 WeakPolarHBondContact O-CB 3.46Å; G199-A203 PolarHBondContact O-N 3.17Å; G200-A203 CarbonylContact O-C 3.59Å; G200-A203 PolarHBondContact O-N 3.39Å; V201-A203 VanDerWaalsContact C-N 3.27Å; V201-A203 PolarHBondContact O-N 3.25Å; A203-V205 VanDerWaalsContact C-N 3.33Å; A203-V205 HydrophobicContact CB-CG1 4.32Å; A203-V205 PolarHBondContact O-N 3.32Å
204K97.8Very high94.6Very high167 Ų16740.8 Ų40.873%0.72621%0.212SC*.THydrogen-bonded Turntrans57.444.1-178.1-54.4178.1-178.6178.70112.5A183 G200 V201 N202A183-K204 WeakPolarHBondContact CB-O 3.2Å; G200-K204 PolarHBondContact O-N 2.97Å; V201-K204 PolarHBondContact O-N 3.49Å; N202-K204 VanDerWaalsContact C-N 3.29Å
205V98.4Very high93Very high16 Ų1641.1 Ų41.110%0.09721%0.214CC..  trans-61.2163.7170.5-58.70000110.3F176 A183 C186 M188 G200 A203 A207 T208F176-V205 HydrophobicContact CE1-CG1 4.17Å; F176-V205 HydrophobicContact CZ-CG1 3.77Å; A183-V205 VanDerWaalsContact O-CA 3.31Å; A183-V205 WeakPolarHBondContact O-CA 3.5Å; C186-V205 HydrophobicContact CB-CB 4.47Å; C186-V205 HydrophobicContact CB-CG1 4.31Å; M188-V205 HydrophobicContact CB-CG2 4.27Å; G200-V205 WeakPolarHBondContact O-CG2 3.4Å; G200-V205 PolarHBondContact O-N 3.05Å; A203-V205 VanDerWaalsContact C-N 3.33Å; A203-V205 HydrophobicContact CB-CG1 4.32Å; A203-V205 PolarHBondContact O-N 3.32Å; V205-A207 VanDerWaalsContact C-N 3.33Å; V205-A207 VanDerWaalsContact CG2-O 3.3Å; V205-A207 WeakPolarHBondContact CG2-O 3.44Å; V205-A207 PolarHBondContact O-N 3.25Å; V205-T208 HydrophobicContact CG2-CG2 3.75Å
206R97.1Very high90.8Very high76 Ų7642.9 Ų42.929%0.28724%0.238SC..SBendtrans-59.3-46.5178.4-171-172.3-176.176.1-8.9112.4K4 A183 Q184 C186 L242K4-R206 PolarHBondContact O-NH1 2.95Å; K4-R206 PolarHBondContact O-NH2 3.44Å; A183-R206 PolarHBondContact O-N 3.46Å; Q184-R206 WeakPolarHBondContact O-CB 3.45Å; C186-R206 WeakPolarHBondContact O-CB 3.39Å; C186-R206 PolarHBondContact O-N 3.45Å; R206-L242 PolarHBondContact NE-O 3.43Å; R206-L242 PolarHBondContact NH2-O 2.81Å
207A98.3Very high88.7Confident1 Ų145.4 Ų45.41%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-155.3153.1-178.300000110.4V187 M188 V205 D226 Y227 L242V187-A207 WeakPolarHBondContact CA-O 3.4Å; V187-A207 HydrophobicContact CG2-CB 4.39Å; M188-A207 PolarHBondContact N-O 3.37Å; V205-A207 VanDerWaalsContact C-N 3.33Å; V205-A207 VanDerWaalsContact CG2-O 3.3Å; V205-A207 WeakPolarHBondContact CG2-O 3.44Å; V205-A207 PolarHBondContact O-N 3.25Å; A207-D226 WeakPolarHBondContact CA-OD2 3.36Å; A207-D226 HydrophobicContact CB-CB 4.26Å; A207-Y227 HydrophobicContact CB-CD2 4.25Å; A207-Y227 HydrophobicContact CB-CE2 3.99Å; A207-L242 HydrophobicContact CB-CD1 3.83Å; A207-L242 HydrophobicContact CB-CD2 4.2Å
208T98.6Very high86.7Confident1 Ų153.4 Ų53.41%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-114.4134.3172.656.50000109.4M188 I197 V201 V205 P225 D226 Y227M188-T208 HydrophobicContact CB-CG2 4.45Å; M188-T208 CarbonylContact O-C 3.6Å; M188-T208 WeakPolarHBondContact O-CA 3.28Å; I197-T208 HydrophobicContact CG2-CG2 4.43Å; V201-T208 HydrophobicContact CG2-CG2 4.37Å; V205-T208 HydrophobicContact CG2-CG2 3.75Å; T208-P225 WeakPolarHBondContact OG1-CA 3.43Å; T208-D226 PolarHBondContact N-OD2 3.45Å; T208-D226 PolarHBondContact O-N 3Å; T208-D226 PolarHBondContact OG1-N 2.98Å; T208-D226 VanDerWaalsContact OG1-N 3.16Å; T208-D226 PolarHBondContact OG1-OD2 3.48Å; T208-Y227 PolarHBondContact O-N 3.37Å
209V98.5Very high84.9Confident0 Ų055.5 Ų55.50%031%0.306CS..EExtended strand (participates in β ladder)trans-119.9113.2178.8-173.50000108V187 M188 V189 G190 Y227 V229 L235 V238V187-V209 HydrophobicContact CG1-CG2 3.68Å; M188-V209 PolarHBondContact O-N 3.18Å; V189-V209 WeakPolarHBondContact CA-O 3.4Å; V189-V209 HydrophobicContact CG1-CB 4.4Å; V189-V209 HydrophobicContact CG2-CB 4.19Å; V189-V209 HydrophobicContact CG2-CG2 4.43Å; G190-V209 PolarHBondContact N-O 3.27Å; G190-V209 VanDerWaalsContact N-O 3.15Å; V209-Y227 WeakPolarHBondContact CA-O 3.45Å; V209-Y227 HydrophobicContact CG2-CD2 4.44Å; V209-V229 HydrophobicContact CG1-CG1 4.32Å; V209-V229 HydrophobicContact CG1-CG2 3.84Å; V209-L235 HydrophobicContact CB-CD1 4.43Å; V209-L235 HydrophobicContact CG1-CD1 4.27Å; V209-L235 HydrophobicContact CG2-CD1 4.04Å; V209-V238 HydrophobicContact CG2-CG1 3.83Å
210W97.6Very high83Confident13 Ų1362.7 Ų62.75%0.04934%0.344CS..EExtended strand (participates in β ladder)trans-91.7124.8178.5-17541.2000110.8G190 D191 L193 I197 H212 L219 P225 Y227 T228 V229G190-W210 WeakPolarHBondContact O-CA 3.15Å; D191-W210 PolarHBondContact O-NE1 3.09Å; L193-W210 HydrophobicContact CD1-CH2 4.15Å; L193-W210 HydrophobicContact CD1-CZ2 3.93Å; L193-W210 HydrophobicContact CD2-CD2 3.82Å; L193-W210 HydrophobicContact CD2-CE3 4.2Å; L193-W210 HydrophobicContact CD2-CG 4.08Å; L193-W210 HydrophobicContact CD2-CZ2 4.46Å; L193-W210 HydrophobicContact CG-CD2 4.18Å; L193-W210 HydrophobicContact CG-CZ2 3.98Å; I197-W210 HydrophobicContact CD1-CB 3.8Å; I197-W210 HydrophobicContact CD1-CG 4.41Å; I197-W210 HydrophobicContact CG1-CB 4.01Å; I197-W210 HydrophobicContact CG1-CG 4.19Å; W210-H212 HydrophobicContact CD2-CB 4.01Å; W210-H212 HydrophobicContact CE3-CB 3.8Å; W210-H212 HydrophobicContact CH2-CB 3.79Å; W210-H212 AromaticContact CH2-CD2 3.83Å; W210-H212 AromaticContact CH2-CE1 3.86Å; W210-H212 AromaticContact CH2-CG 3.41Å; W210-H212 VanDerWaalsContact CH2-CG 3.41Å; W210-H212 AromaticContact CH2-ND1 3.43Å; W210-H212 WeakPolarHBondContact CH2-ND1 3.43Å; W210-H212 HydrophobicContact CZ2-CB 3.99Å; W210-H212 AromaticContact CZ2-CG 3.9Å; W210-H212 HydrophobicContact CZ3-CB 3.66Å; W210-H212 AromaticContact CZ3-CG 3.59Å; W210-H212 AromaticContact CZ3-ND1 3.4Å; W210-H212 WeakPolarHBondContact CZ3-ND1 3.46Å; W210-H212 PolarHBondContact O-N 2.93Å; W210-L219 HydrophobicContact CE3-CD2 3.71Å; W210-L219 HydrophobicContact CE3-CG 4.46Å; W210-L219 HydrophobicContact CH2-CD2 4Å; W210-L219 HydrophobicContact CH2-CG 4.36Å; W210-L219 HydrophobicContact CZ3-CD1 4.23Å; W210-L219 HydrophobicContact CZ3-CD2 3.24Å; W210-L219 HydrophobicContact CZ3-CG 3.64Å; W210-P225 HydrophobicContact CB-CB 3.67Å; W210-P225 HydrophobicContact CB-CG 3.74Å; W210-P225 HydrophobicContact CE3-CG 4.14Å; W210-P225 HydrophobicContact CG-CG 4.4Å; W210-Y227 PolarHBondContact N-O 2.74Å; W210-T228 HydrophobicContact CE3-CG2 3.71Å; W210-T228 HydrophobicContact CZ3-CG2 4.19Å; W210-T228 WeakPolarHBondContact O-CA 3.27Å; W210-V229 PolarHBondContact O-N 3.27Å
211I95.5Very high81.6Confident4 Ų464.2 Ų64.22%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-86.999.3171.6-50.3-54.7000108T16 V189 G190 D191 R213 V229 V232T16-I211 HydrophobicContact CG2-CG1 4.19Å; V189-I211 HydrophobicContact CG1-CD1 3.88Å; V189-I211 HydrophobicContact CG1-CG1 4.13Å; G190-I211 PolarHBondContact O-N 3.41Å; D191-I211 HydrophobicContact CB-CB 4.48Å; I211-R213 HydrophobicContact CG2-CG 4.49Å; I211-V229 WeakPolarHBondContact CA-O 3.47Å; I211-V229 HydrophobicContact CD1-CG2 3.32Å; I211-V232 HydrophobicContact CD1-CB 4.36Å
212H89.1Confident80.8Confident34 Ų3467 Ų6716%0.15738%0.38CS..  trans-100.397177.6-176.9-171.1000109.5W210 A214 D215 S217 T228 V229 L230W210-H212 HydrophobicContact CD2-CB 4.01Å; W210-H212 HydrophobicContact CE3-CB 3.8Å; W210-H212 HydrophobicContact CH2-CB 3.79Å; W210-H212 AromaticContact CH2-CD2 3.83Å; W210-H212 AromaticContact CH2-CE1 3.86Å; W210-H212 AromaticContact CH2-CG 3.41Å; W210-H212 VanDerWaalsContact CH2-CG 3.41Å; W210-H212 AromaticContact CH2-ND1 3.43Å; W210-H212 WeakPolarHBondContact CH2-ND1 3.43Å; W210-H212 HydrophobicContact CZ2-CB 3.99Å; W210-H212 AromaticContact CZ2-CG 3.9Å; W210-H212 HydrophobicContact CZ3-CB 3.66Å; W210-H212 AromaticContact CZ3-CG 3.59Å; W210-H212 AromaticContact CZ3-ND1 3.4Å; W210-H212 WeakPolarHBondContact CZ3-ND1 3.46Å; W210-H212 PolarHBondContact O-N 2.93Å; H212-A214 PolarHBondContact O-N 3.39Å; H212-D215 IonicContact NE2-OD1 3.26Å; H212-S217 PolarHBondContact CE1-O 3.04Å; H212-S217 PolarHBondContact NE2-O 3.45Å; H212-S217 PolarHBondContact NE2-OG 2.94Å; H212-T228 HydrophobicContact CB-CG2 3.7Å; H212-V229 PolarHBondContact N-O 3.02Å; H212-L230 VanDerWaalsContact O-CD2 3.31Å; H212-L230 WeakPolarHBondContact O-CD2 3.32Å
213R76.2Confident80.3Confident101 Ų10164.2 Ų64.238%0.38137%0.365SS..  trans-72.9120.3169.8-67.1-178.5174165.53107.5N15 D19 I211 D215N15-R213 PolarHBondContact O-NE 2.89Å; N15-R213 PolarHBondContact O-NH1 3.27Å; N15-R213 PolarHBondContact O-NH2 3.5Å; D19-R213 IonicContact OD1-NH1 3.11Å; D19-R213 IonicContact OD2-NH1 2.93Å; I211-R213 HydrophobicContact CG2-CG 4.49Å; R213-D215 VanDerWaalsContact C-N 3.32Å; R213-D215 PolarHBondContact O-N 3.31Å
214A63.4Low80Confident93 Ų9371.7 Ų71.777%0.76940%0.396SS*.SBendtrans-5887.9-172.200000112.5H212H212-A214 PolarHBondContact O-N 3.39Å
215D59.9Low79.9Confident124 Ų12464.8 Ų64.866%0.66337%0.368SS*.SBendtrans-110.54176.869.4-4.9000112.2H212 R213 S217H212-D215 IonicContact NE2-OD1 3.26Å; R213-D215 VanDerWaalsContact C-N 3.32Å; R213-D215 PolarHBondContact O-N 3.31Å; D215-S217 WeakPolarHBondContact OD1-CB 3.43Å; D215-S217 PolarHBondContact OD1-N 3.18Å; D215-S217 VanDerWaalsContact OD1-N 3.09Å; D215-S217 PolarHBondContact OD1-OG 2.88Å
216G51.8Low79.8Confident70 Ų7068.6 Ų68.672%0.72239%0.388SS*.SBendtrans85.58.8177.700000114.3E218G216-E218 PolarHBondContact O-N 3.46Å
217S54Low79.9Confident55 Ų5567.7 Ų67.739%0.38539%0.385SS..  trans-70.1123.9171.156.60000111.3H212 D215H212-S217 PolarHBondContact CE1-O 3.04Å; H212-S217 PolarHBondContact NE2-O 3.45Å; H212-S217 PolarHBondContact NE2-OG 2.94Å; D215-S217 WeakPolarHBondContact OD1-CB 3.43Å; D215-S217 PolarHBondContact OD1-N 3.18Å; D215-S217 VanDerWaalsContact OD1-N 3.09Å; D215-S217 PolarHBondContact OD1-OG 2.88Å
218E54.3Low79.7Confident168 Ų16870.6 Ų70.679%0.78540%0.403SS*.  trans-80.3146.6174.1-69.7-168.3161.600110.8G216 D220G216-E218 PolarHBondContact O-N 3.46Å; E218-D220 PolarHBondContact O-N 3.18Å
219L62Low79.6Confident94 Ų9471.4 Ų71.449%0.49241%0.407SS..  trans-70.148.4170.4-82165.4000111.8L193 W210 G221L193-L219 HydrophobicContact CD1-CD2 4.48Å; W210-L219 HydrophobicContact CE3-CD2 3.71Å; W210-L219 HydrophobicContact CE3-CG 4.46Å; W210-L219 HydrophobicContact CH2-CD2 4Å; W210-L219 HydrophobicContact CH2-CG 4.36Å; W210-L219 HydrophobicContact CZ3-CD1 4.23Å; W210-L219 HydrophobicContact CZ3-CD2 3.24Å; W210-L219 HydrophobicContact CZ3-CG 3.64Å; L219-G221 PolarHBondContact O-N 3.43Å
220D58.1Low79.4Confident150 Ų15076.9 Ų76.980%0.80244%0.436SS*.  trans-9328.8-177.6-148.819.2000112.9E218E218-D220 PolarHBondContact O-N 3.18Å
221G69.4Low79.3Confident33 Ų3378.2 Ų78.234%0.3445%0.447SS..SBendtrans-106.6160.7-179.300000114L219 V223L219-G221 PolarHBondContact O-N 3.43Å; G221-V223 PolarHBondContact O-N 3.4Å
222P80.3Confident79.4Confident128 Ų12878.3 Ų78.383%0.83145%0.448SS*.SBendtrans-69.7-21.917729.3-35.1000113.2
223V88.4Confident79.8Confident9 Ų980 Ų806%0.05546%0.458CS..  trans-82.3119.4-178.8-166.50000109.3L193 I197 Q198 G221L193-V223 HydrophobicContact CB-CB 4.48Å; I197-V223 HydrophobicContact CB-CG1 4.07Å; I197-V223 HydrophobicContact CG2-CG1 3.73Å; Q198-V223 HydrophobicContact CB-CG1 4.01Å; Q198-V223 HydrophobicContact CB-CG2 4.28Å; G221-V223 PolarHBondContact O-N 3.4Å
224K91.4Very high80.8Confident168 Ų16878.7 Ų78.773%0.7346%0.459SS*.  trans-114.2115179.7-65.7-172.9178-174.50110.1
225P95.6Very high82.4Confident22 Ų2274.3 Ų74.314%0.14342%0.422CS..  trans-71.3152.5171.130.8-33.6000110.7L193 I197 T208 W210 Y227L193-P225 HydrophobicContact CD2-CG 4.34Å; I197-P225 HydrophobicContact CD1-CB 4.33Å; I197-P225 HydrophobicContact CG1-CB 4.38Å; I197-P225 HydrophobicContact CG2-CB 3.7Å; T208-P225 WeakPolarHBondContact OG1-CA 3.43Å; W210-P225 HydrophobicContact CB-CB 3.67Å; W210-P225 HydrophobicContact CB-CG 3.74Å; W210-P225 HydrophobicContact CE3-CG 4.14Å; W210-P225 HydrophobicContact CG-CG 4.4Å; P225-Y227 VanDerWaalsContact C-N 3.32Å
226D97.4Very high84.2Confident96 Ų9670.6 Ų70.651%0.51341%0.405SS..SBendtrans-69.4-35.8174.3-56.6-79.4000111.1A207 T208A207-D226 WeakPolarHBondContact CA-OD2 3.36Å; A207-D226 HydrophobicContact CB-CB 4.26Å; T208-D226 PolarHBondContact N-OD2 3.45Å; T208-D226 PolarHBondContact O-N 3Å; T208-D226 PolarHBondContact OG1-N 2.98Å; T208-D226 VanDerWaalsContact OG1-N 3.16Å; T208-D226 PolarHBondContact OG1-OD2 3.48Å
227Y97.5Very high86.4Confident57 Ų5770.2 Ų70.222%0.22440%0.395CS..EExtended strand (participates in β ladder)trans-135.6144.9178.3-58.7-89000111A207 T208 V209 W210 P225 V238 L242A207-Y227 HydrophobicContact CB-CD2 4.25Å; A207-Y227 HydrophobicContact CB-CE2 3.99Å; T208-Y227 PolarHBondContact O-N 3.37Å; V209-Y227 WeakPolarHBondContact CA-O 3.45Å; V209-Y227 HydrophobicContact CG2-CD2 4.44Å; W210-Y227 PolarHBondContact N-O 2.74Å; P225-Y227 VanDerWaalsContact C-N 3.32Å; Y227-V238 HydrophobicContact CD1-CG1 3.75Å; Y227-V238 HydrophobicContact CD1-CG2 4.25Å; Y227-V238 HydrophobicContact CD2-CG1 3.6Å; Y227-V238 HydrophobicContact CE1-CG1 4.12Å; Y227-V238 HydrophobicContact CE2-CG1 4.01Å; Y227-V238 HydrophobicContact CG-CG1 3.47Å; Y227-V238 VanDerWaalsContact CG-CG1 3.47Å; Y227-V238 HydrophobicContact CG-CG2 4.31Å; Y227-L242 HydrophobicContact CE2-CD1 4.23Å; Y227-L242 HydrophobicContact CE2-CD2 3.99Å; Y227-L242 HydrophobicContact CE2-CG 4.29Å; Y227-L242 WeakPolarHBondContact OH-CD2 3.32Å
228T95.9Very high88.4Confident63 Ų6367.9 Ų67.939%0.38738%0.378SS..EExtended strand (participates in β ladder)trans-123132.2170.6-57.50000108.5W210 H212W210-T228 HydrophobicContact CE3-CG2 3.71Å; W210-T228 HydrophobicContact CZ3-CG2 4.19Å; W210-T228 WeakPolarHBondContact O-CA 3.27Å; H212-T228 HydrophobicContact CB-CG2 3.7Å
229V95.8Very high90.5Very high18 Ų1860 Ų6011%0.10934%0.342CS..EExtended strand (participates in β ladder)trans-133.4158.3176-61.30000110V209 W210 I211 H212 S231 D234 V238V209-V229 HydrophobicContact CG1-CG1 4.32Å; V209-V229 HydrophobicContact CG1-CG2 3.84Å; W210-V229 PolarHBondContact O-N 3.27Å; I211-V229 WeakPolarHBondContact CA-O 3.47Å; I211-V229 HydrophobicContact CD1-CG2 3.32Å; H212-V229 PolarHBondContact N-O 3.02Å; V229-S231 VanDerWaalsContact CG2-O 3.31Å; V229-S231 WeakPolarHBondContact CG2-O 3.41Å; V229-D234 HydrophobicContact CB-CB 3.88Å; V229-D234 HydrophobicContact CG1-CB 3.98Å; V229-D234 HydrophobicContact CG2-CB 4.5Å; V229-V238 HydrophobicContact CG1-CG2 3.67Å
230L93.6Very high92Very high115 Ų11558.9 Ų58.960%0.60235%0.346SS*.SBendtrans-83.5-28179.6-62.9178.9000111.8H212H212-L230 VanDerWaalsContact O-CD2 3.31Å; H212-L230 WeakPolarHBondContact O-CD2 3.32Å
231S95.4Very high93.7Very high41 Ų4157.8 Ų57.829%0.28734%0.336SS..SBendtrans-140150.4-178.1-178.50000111.5V229 L233 D234V229-S231 VanDerWaalsContact CG2-O 3.31Å; V229-S231 WeakPolarHBondContact CG2-O 3.41Å; S231-L233 PolarHBondContact O-N 3.17Å; S231-L233 VanDerWaalsContact O-N 3.15Å; S231-L233 PolarHBondContact OG-N 3.11Å; S231-D234 PolarHBondContact N-OD2 3.39Å; S231-D234 VanDerWaalsContact N-OD2 3.1Å; S231-D234 WeakPolarHBondContact O-CB 3.37Å; S231-D234 PolarHBondContact O-N 3.4Å
232V97.4Very high94.7Very high5 Ų557 Ų573%0.0332%0.324CS..G310 helixtrans-58.8-24169.172.30000111.9F11 L17 V116 L119 I211 D234 L235F11-V232 HydrophobicContact CD1-CG2 4.27Å; F11-V232 HydrophobicContact CE1-CG2 3.66Å; L17-V232 HydrophobicContact CD2-CG1 4.49Å; L17-V232 HydrophobicContact CD2-CG2 4.12Å; V116-V232 HydrophobicContact CG1-CG1 4.49Å; V116-V232 HydrophobicContact CG2-CG1 3.94Å; L119-V232 HydrophobicContact CD2-CG1 4.39Å; L119-V232 HydrophobicContact CD2-CG2 4.2Å; L119-V232 VanDerWaalsContact CD2-O 3.26Å; L119-V232 WeakPolarHBondContact CD2-O 3.49Å; I211-V232 HydrophobicContact CD1-CB 4.36Å; V232-D234 PolarHBondContact O-N 2.84Å; V232-L235 WeakPolarHBondContact O-CB 3.4Å; V232-L235 PolarHBondContact O-N 3.24Å; V232-L235 VanDerWaalsContact O-N 3.13Å
233L97.8Very high94.6Very high71 Ų7157.7 Ų57.737%0.37232%0.316SS..G310 helixtrans-65.2-19.1175.5-59.1-179.9000113.4E115 V116 L119 S231 L235 P236E115-L233 HydrophobicContact CB-CD1 3.99Å; E115-L233 HydrophobicContact CB-CD2 3.96Å; V116-L233 HydrophobicContact CG2-CD2 4.01Å; L119-L233 HydrophobicContact CB-CD2 4.31Å; L119-L233 HydrophobicContact CD2-CD2 4.12Å; S231-L233 PolarHBondContact O-N 3.17Å; S231-L233 VanDerWaalsContact O-N 3.15Å; S231-L233 PolarHBondContact OG-N 3.11Å; L233-L235 VanDerWaalsContact C-N 3.31Å; L233-P236 VanDerWaalsContact O-CD 3.27Å; L233-P236 WeakPolarHBondContact O-CD 3.24Å
234D97.5Very high94.9Very high73 Ų7360.1 Ų60.139%0.3933%0.329SS..G310 helixtrans-84.6-8177.2-56.7-44.5000112.5V229 S231 V232 A237V229-D234 HydrophobicContact CB-CB 3.88Å; V229-D234 HydrophobicContact CG1-CB 3.98Å; V229-D234 HydrophobicContact CG2-CB 4.5Å; S231-D234 PolarHBondContact N-OD2 3.39Å; S231-D234 VanDerWaalsContact N-OD2 3.1Å; S231-D234 WeakPolarHBondContact O-CB 3.37Å; S231-D234 PolarHBondContact O-N 3.4Å; V232-D234 PolarHBondContact O-N 2.84Å; D234-A237 PolarHBondContact O-N 2.97Å; D234-A237 VanDerWaalsContact O-N 3.13Å
235L97.9Very high95Very high0 Ų054.4 Ų54.40%031%0.308CS..Hα-helixtrans-54.8-37.5-177.5-176.862.7000114.5I9 F11 L123 V189 V209 V232 L233 A237 V238 L239I9-L235 HydrophobicContact CD1-CD2 4.47Å; I9-L235 HydrophobicContact CG2-CD2 4.38Å; F11-L235 HydrophobicContact CE1-CD2 3.65Å; F11-L235 HydrophobicContact CZ-CD2 3.45Å; F11-L235 VanDerWaalsContact CZ-CD2 3.45Å; L123-L235 HydrophobicContact CD1-CD2 3.93Å; V189-L235 HydrophobicContact CG2-CD1 3.91Å; V189-L235 HydrophobicContact CG2-CD2 4Å; V209-L235 HydrophobicContact CB-CD1 4.43Å; V209-L235 HydrophobicContact CG1-CD1 4.27Å; V209-L235 HydrophobicContact CG2-CD1 4.04Å; V232-L235 WeakPolarHBondContact O-CB 3.4Å; V232-L235 PolarHBondContact O-N 3.24Å; V232-L235 VanDerWaalsContact O-N 3.13Å; L233-L235 VanDerWaalsContact C-N 3.31Å; L235-A237 PolarHBondContact O-N 3.36Å; L235-V238 HydrophobicContact CD1-CB 4.5Å; L235-V238 WeakPolarHBondContact O-CB 3.36Å; L235-V238 PolarHBondContact O-N 2.7Å; L235-V238 VanDerWaalsContact O-N 3.07Å; L235-L239 HydrophobicContact CD1-CG 4.18Å; L235-L239 HydrophobicContact CD2-CD1 4.38Å; L235-L239 HydrophobicContact CG-CD1 3.93Å; L235-L239 HydrophobicContact CG-CG 4.08Å; L235-L239 WeakPolarHBondContact O-CG 3.31Å; L235-L239 PolarHBondContact O-N 2.71Å
236P97.8Very high95Very high46 Ų4656.2 Ų56.230%0.29932%0.317SS..Hα-helixtrans-56-36.3176.9-27.937.2000114L119 L233 V238 L239 A240L119-P236 HydrophobicContact CD1-CG 3.57Å; L233-P236 VanDerWaalsContact O-CD 3.27Å; L233-P236 WeakPolarHBondContact O-CD 3.24Å; P236-V238 VanDerWaalsContact C-N 3.34Å; P236-L239 PolarHBondContact O-N 3.26Å; P236-A240 PolarHBondContact O-N 3.41Å
237A97.1Very high94.9Very high63 Ų6353.9 Ų53.952%0.52131%0.305SS..Hα-helixtrans-70.1-31.9178.700000112.3D234 L235 Q241D234-A237 PolarHBondContact O-N 2.97Å; D234-A237 VanDerWaalsContact O-N 3.13Å; L235-A237 PolarHBondContact O-N 3.36Å; A237-Q241 PolarHBondContact O-NE2 3.48Å
238V97Very high94.7Very high6 Ų653.7 Ų53.74%0.03631%0.31CS..Hα-helixtrans-70.7-47.4172.81760000110.4V209 Y227 V229 L235 P236 A240 Q241 L242V209-V238 HydrophobicContact CG2-CG1 3.83Å; Y227-V238 HydrophobicContact CD1-CG1 3.75Å; Y227-V238 HydrophobicContact CD1-CG2 4.25Å; Y227-V238 HydrophobicContact CD2-CG1 3.6Å; Y227-V238 HydrophobicContact CE1-CG1 4.12Å; Y227-V238 HydrophobicContact CE2-CG1 4.01Å; Y227-V238 HydrophobicContact CG-CG1 3.47Å; Y227-V238 VanDerWaalsContact CG-CG1 3.47Å; Y227-V238 HydrophobicContact CG-CG2 4.31Å; V229-V238 HydrophobicContact CG1-CG2 3.67Å; L235-V238 HydrophobicContact CD1-CB 4.5Å; L235-V238 WeakPolarHBondContact O-CB 3.36Å; L235-V238 PolarHBondContact O-N 2.7Å; L235-V238 VanDerWaalsContact O-N 3.07Å; P236-V238 VanDerWaalsContact C-N 3.34Å; V238-A240 VanDerWaalsContact C-N 3.27Å; V238-A240 PolarHBondContact O-N 2.77Å; V238-Q241 WeakPolarHBondContact O-CB 3.19Å; V238-Q241 PolarHBondContact O-N 3.17Å; V238-L242 HydrophobicContact CG1-CD1 4.31Å
239L96.7Very high94.6Very high2 Ų253.1 Ų53.11%0.0131%0.305CS..Hα-helixtrans-60.7-36.2-179.5-67.8172000112.3V6 I9 L123 Y127 V187 L235 P236 Q241 L242 Q243V6-L239 HydrophobicContact CG1-CD2 4.37Å; I9-L239 HydrophobicContact CD1-CD1 3.68Å; I9-L239 HydrophobicContact CD1-CD2 4.13Å; I9-L239 HydrophobicContact CG1-CD2 4.5Å; L123-L239 HydrophobicContact CD2-CD1 3.55Å; Y127-L239 HydrophobicContact CE2-CD1 3.9Å; V187-L239 HydrophobicContact CG2-CD2 4.31Å; L235-L239 HydrophobicContact CD1-CG 4.18Å; L235-L239 HydrophobicContact CD2-CD1 4.38Å; L235-L239 HydrophobicContact CG-CD1 3.93Å; L235-L239 HydrophobicContact CG-CG 4.08Å; L235-L239 WeakPolarHBondContact O-CG 3.31Å; L235-L239 PolarHBondContact O-N 2.71Å; P236-L239 PolarHBondContact O-N 3.26Å; L239-Q241 PolarHBondContact O-N 3.22Å; L239-L242 PolarHBondContact O-N 3.03Å; L239-Q243 PolarHBondContact O-N 3.11Å
240A95Very high94.5Very high70 Ų7055.6 Ų55.658%0.57932%0.319SS*.THydrogen-bonded Turntrans-61.4-24.717600000113.8P236 V238P236-A240 PolarHBondContact O-N 3.41Å; V238-A240 VanDerWaalsContact C-N 3.27Å; V238-A240 PolarHBondContact O-N 2.77Å
241Q93.8Very high94.6Very high127 Ų12751 Ų5159%0.59330%0.298SS*.THydrogen-bonded Turntrans-84-12.9176.2-62.8169.859.200112.9A237 V238 L239A237-Q241 PolarHBondContact O-NE2 3.48Å; V238-Q241 WeakPolarHBondContact O-CB 3.19Å; V238-Q241 PolarHBondContact O-N 3.17Å; L239-Q241 PolarHBondContact O-N 3.22Å
242L90.1Very high94.6Very high16 Ų1651.8 Ų51.88%0.08430%0.299CS..  trans-102.3-4.5-175.8-68.3174.1000113.7V6 V187 R206 A207 Y227 V238 L239V6-L242 HydrophobicContact CG2-CB 3.84Å; V6-L242 HydrophobicContact CG2-CD1 4.33Å; V187-L242 HydrophobicContact CG2-CD1 3.87Å; R206-L242 PolarHBondContact NE-O 3.43Å; R206-L242 PolarHBondContact NH2-O 2.81Å; A207-L242 HydrophobicContact CB-CD1 3.83Å; A207-L242 HydrophobicContact CB-CD2 4.2Å; Y227-L242 HydrophobicContact CE2-CD1 4.23Å; Y227-L242 HydrophobicContact CE2-CD2 3.99Å; Y227-L242 HydrophobicContact CE2-CG 4.29Å; Y227-L242 WeakPolarHBondContact OH-CD2 3.32Å; V238-L242 HydrophobicContact CG1-CD1 4.31Å; L239-L242 PolarHBondContact O-N 3.03Å
243Q76.7Confident94.3Very high143 Ų14356.1 Ų56.167%0.66832%0.323SS*.  trans-790172.8-65.4-65.5-22.900110.7Y127 L239Y127-Q243 PolarHBondContact OH-NE2 2.67Å; L239-Q243 PolarHBondContact O-N 3.11Å

Retrieved 243 of 243 residues in 1239 ms (Link to these results)

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