A0A060D7E9_MAIZE Loading...

TD and POZ domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A060D7E9, Species MAIZE (Zea mays, Maize), Gene TRAF44, Length 352 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
1M32.2Very low59.5Low251 Ų251105 Ų105100%1.23660%0.597SS**  0126.80-85.3167.9168.900106.6
2S29.4Very low62.5Low113 Ų113100.6 Ų100.679%0.7957%0.567SS**  trans-63.9148.3-162.543.90000115.6S4S2-S4 PolarHBondContact O-N 3.44Å
3D27.6Very low65Low158 Ų158101.6 Ų101.685%0.84557%0.565SS**  trans-22.3106.9163.2-79-47.4000115.3
4S34.6Very low67.1Low75 Ų7594.9 Ų94.952%0.52453%0.526SS..  trans-129.781.2149.365.50000107.1S2 F6S2-S4 PolarHBondContact O-N 3.44Å; S4-F6 WeakPolarHBondContact O-CD2 3.47Å; S4-F6 PolarHBondContact O-N 3.42Å; S4-F6 WeakPolarHBondContact OG-CE2 3.14Å
5T40.6Very low69Low134 Ų13497.1 Ų97.182%0.82253%0.529SS*.  trans-60.888160.4-1.80000106.1N7T5-N7 PolarHBondContact O-N 3.33Å
6F54.9Low70.6Confident104 Ų10492.6 Ų92.646%0.45650%0.504SS..  trans-60.2111.6176.6-80.2-79.1000107.1S4 S8 L36S4-F6 WeakPolarHBondContact O-CD2 3.47Å; S4-F6 PolarHBondContact O-N 3.42Å; S4-F6 WeakPolarHBondContact OG-CE2 3.14Å; F6-S8 PolarHBondContact O-N 3.47Å; F6-L36 HydrophobicContact CD1-CD2 3.79Å; F6-L36 HydrophobicContact CD1-CG 4.3Å; F6-L36 HydrophobicContact CE1-CD2 3.5Å; F6-L36 VanDerWaalsContact CE1-CD2 3.5Å; F6-L36 HydrophobicContact CE1-CG 4.43Å
7N70.2Confident72.1Confident119 Ų11988.5 Ų88.564%0.63648%0.481SS*.  trans-50.2117.2-176.3-156.51000109.2T5 C9 A37 G38T5-N7 PolarHBondContact O-N 3.33Å; N7-C9 PolarHBondContact ND2-O 3.39Å; N7-C9 PolarHBondContact O-N 3.45Å; N7-A37 VanDerWaalsContact O-CA 3.25Å; N7-A37 WeakPolarHBondContact O-CA 3.39Å; N7-A37 WeakPolarHBondContact O-CB 3.3Å; N7-G38 PolarHBondContact O-N 3.43Å
8S86Confident73.3Confident37 Ų3784.5 Ų84.526%0.25946%0.458SS..SBendtrans-79.6-8.5-176.964.40000112.2F6 K144 V145F6-S8 PolarHBondContact O-N 3.47Å; S8-K144 CarbonylContact O-C 3.57Å; S8-K144 WeakPolarHBondContact O-CA 3.42Å; S8-V145 PolarHBondContact O-N 3.45Å
9C91.9Very high74.3Confident49 Ų4987.2 Ų87.233%0.33147%0.468SS..EExtended strand (participates in β ladder)trans-128.6144.4-174.9-59.80000110.7N7 V143 K144N7-C9 PolarHBondContact ND2-O 3.39Å; N7-C9 PolarHBondContact O-N 3.45Å; C9-V143 CarbonylContact C-O 3.57Å; C9-V143 VanDerWaalsContact CA-O 3.23Å; C9-V143 WeakPolarHBondContact CA-O 3.46Å; C9-K144 VanDerWaalsContact SG-CG 3.51Å
10F93.8Very high75.3Confident23 Ų2386.9 Ų86.910%0.10147%0.466CS..EExtended strand (participates in β ladder)trans-149.8161.4170.169-87.3000111.4I35 A37 W42 I44 L67 V143F10-I35 HydrophobicContact CB-CG2 3.89Å; F10-I35 HydrophobicContact CD1-CG2 4.01Å; F10-I35 HydrophobicContact CD2-CB 4.14Å; F10-I35 HydrophobicContact CD2-CD1 3.5Å; F10-I35 HydrophobicContact CD2-CG1 4.41Å; F10-I35 HydrophobicContact CD2-CG2 3.81Å; F10-I35 HydrophobicContact CE1-CG2 4.44Å; F10-I35 HydrophobicContact CE2-CB 4.16Å; F10-I35 HydrophobicContact CE2-CD1 3.67Å; F10-I35 HydrophobicContact CE2-CG1 4.49Å; F10-I35 HydrophobicContact CE2-CG2 4.28Å; F10-I35 HydrophobicContact CG-CB 4.41Å; F10-I35 HydrophobicContact CG-CD1 4.41Å; F10-I35 HydrophobicContact CG-CG2 3.65Å; F10-I35 HydrophobicContact CZ-CB 4.43Å; F10-A37 HydrophobicContact CD1-CB 3.45Å; F10-A37 VanDerWaalsContact CD1-CB 3.45Å; F10-A37 HydrophobicContact CE1-CB 3.8Å; F10-W42 HydrophobicContact CE1-CB 3.78Å; F10-W42 AromaticContact CE1-CD1 3.95Å; F10-W42 AromaticContact CE1-CG 3.91Å; F10-W42 HydrophobicContact CE1-CG 3.91Å; F10-W42 HydrophobicContact CZ-CB 3.48Å; F10-W42 VanDerWaalsContact CZ-CB 3.48Å; F10-W42 HydrophobicContact CZ-CG 4.09Å; F10-I44 HydrophobicContact CD2-CD1 4.32Å; F10-I44 HydrophobicContact CE2-CD1 3.6Å; F10-I44 HydrophobicContact CE2-CG1 4.02Å; F10-I44 HydrophobicContact CZ-CD1 4.43Å; F10-L67 HydrophobicContact CZ-CD1 4.39Å; F10-V143 HydrophobicContact CD1-CB 3.84Å; F10-V143 HydrophobicContact CD1-CG1 4.18Å; F10-V143 HydrophobicContact CD2-CB 4.42Å; F10-V143 HydrophobicContact CE1-CB 3.39Å; F10-V143 HydrophobicContact CE1-CG1 3.45Å; F10-V143 VanDerWaalsContact CE1-CG1 3.45Å; F10-V143 HydrophobicContact CE1-CG2 4Å; F10-V143 HydrophobicContact CE2-CB 4.01Å; F10-V143 HydrophobicContact CE2-CG2 3.86Å; F10-V143 HydrophobicContact CG-CB 4.36Å; F10-V143 HydrophobicContact CZ-CB 3.47Å; F10-V143 VanDerWaalsContact CZ-CB 3.47Å; F10-V143 HydrophobicContact CZ-CG1 3.79Å; F10-V143 HydrophobicContact CZ-CG2 3.51Å; F10-V143 PolarHBondContact N-O 3.47Å; F10-V143 PolarHBondContact O-N 3.1Å
11T93.8Very high76.1Confident92 Ų9283.1 Ų83.156%0.56445%0.446SS*.EExtended strand (participates in β ladder)trans-132.1150.7173.562.90000110.2G141 A142T11-G141 CarbonylContact C-O 3.59Å; T11-G141 VanDerWaalsContact CA-O 3.27Å; T11-G141 WeakPolarHBondContact CA-O 3.42Å; T11-A142 HydrophobicContact CG2-CB 3.8Å
12H95.4Very high78.8Confident52 Ų5274.9 Ų74.924%0.24140%0.404CS..EExtended strand (participates in β ladder)trans-137.6136.5172.9-172.678.4000110F14 I44 V140 G141H12-F14 AromaticContact CD2-CD1 4Å; H12-F14 AromaticContact CD2-CE1 3.59Å; H12-F14 AromaticContact CD2-CE2 3.61Å; H12-F14 AromaticContact CD2-CZ 3.38Å; H12-F14 WeakPolarHBondContact CD2-CZ 3.15Å; H12-F14 AromaticContact NE2-CD1 3.85Å; H12-F14 AromaticContact NE2-CE1 3.49Å; H12-F14 WeakPolarHBondContact NE2-CE1 3.13Å; H12-F14 AromaticContact NE2-CZ 3.79Å; H12-I44 HydrophobicContact CB-CD1 3.83Å; H12-V140 WeakPolarHBondContact O-CA 3.41Å; H12-G141 PolarHBondContact N-O 2.97Å; H12-G141 PolarHBondContact O-N 3.08Å
13Q94.4Very high81.8Confident114 Ų11476.9 Ų76.953%0.53340%0.399SS..EExtended strand (participates in β ladder)trans-111.7125.9-179-54.5-171.915.600110.2V138 I139 V140Q13-V138 HydrophobicContact CB-CG1 4.2Å; Q13-I139 CarbonylContact C-O 3.54Å; Q13-I139 WeakPolarHBondContact CA-O 3.42Å; Q13-V140 HydrophobicContact CG-CG1 4.3Å; Q13-V140 HydrophobicContact CG-CG2 4.03Å
14F95Very high84.8Confident7 Ų771 Ų713%0.03137%0.369CS..EExtended strand (participates in β ladder)trans-98102.4168.6-61.2-79.2000108.7H12 L16 V30 I44 C46 M65 V138 I139H12-F14 AromaticContact CD2-CD1 4Å; H12-F14 AromaticContact CD2-CE1 3.59Å; H12-F14 AromaticContact CD2-CE2 3.61Å; H12-F14 AromaticContact CD2-CZ 3.38Å; H12-F14 WeakPolarHBondContact CD2-CZ 3.15Å; H12-F14 AromaticContact NE2-CD1 3.85Å; H12-F14 AromaticContact NE2-CE1 3.49Å; H12-F14 WeakPolarHBondContact NE2-CE1 3.13Å; H12-F14 AromaticContact NE2-CZ 3.79Å; F14-L16 HydrophobicContact CB-CD1 4.29Å; F14-L16 HydrophobicContact CB-CG 4.22Å; F14-V30 HydrophobicContact CD1-CB 4.29Å; F14-V30 HydrophobicContact CD1-CG1 3.98Å; F14-V30 HydrophobicContact CE1-CB 4.33Å; F14-V30 HydrophobicContact CE1-CG1 4.07Å; F14-V30 WeakPolarHBondContact CE1-O 3.37Å; F14-I44 HydrophobicContact CE2-CB 4.34Å; F14-I44 HydrophobicContact CE2-CG2 3.73Å; F14-I44 HydrophobicContact CZ-CB 4.38Å; F14-I44 HydrophobicContact CZ-CG2 4.16Å; F14-C46 HydrophobicContact CD1-CB 4.19Å; F14-C46 HydrophobicContact CD2-CB 3.84Å; F14-C46 HydrophobicContact CE1-CB 4.2Å; F14-C46 HydrophobicContact CE2-CB 3.84Å; F14-C46 HydrophobicContact CG-CB 4.01Å; F14-C46 HydrophobicContact CZ-CB 4.02Å; F14-M65 HydrophobicContact CE2-CE 4.35Å; F14-V138 WeakPolarHBondContact O-CA 3.29Å; F14-I139 HydrophobicContact CB-CB 4.44Å; F14-I139 PolarHBondContact N-O 3.28Å; F14-I139 PolarHBondContact O-N 3.01Å
15K94.6Very high87.5Confident129 Ų12970.4 Ų70.456%0.56137%0.368SS*.EExtended strand (participates in β ladder)trans-90.9112.4167.9-177.7170.3-178.5178.70108.5W136 V138K15-W136 HydrophobicContact CD-CE3 4.41Å; K15-W136 HydrophobicContact CG-CD2 4.37Å; K15-W136 HydrophobicContact CG-CE3 3.63Å; K15-W136 HydrophobicContact CG-CZ3 4.2Å; K15-V138 HydrophobicContact CB-CG2 4.11Å; K15-V138 HydrophobicContact CD-CG2 4.43Å; K15-V138 HydrophobicContact CG-CG2 4.03Å
16L95.2Very high89.9Confident24 Ų2466.6 Ų66.613%0.12634%0.342CS..EExtended strand (participates in β ladder)trans-127.8142-172.6-59.8175.4000110.8F14 T21 V30 P48 W136 F137F14-L16 HydrophobicContact CB-CD1 4.29Å; F14-L16 HydrophobicContact CB-CG 4.22Å; L16-T21 HydrophobicContact CB-CG2 4.03Å; L16-T21 HydrophobicContact CD1-CG2 4.42Å; L16-V30 HydrophobicContact CD2-CG2 4.26Å; L16-P48 HydrophobicContact CD1-CB 4.37Å; L16-P48 HydrophobicContact CD1-CG 3.73Å; L16-W136 WeakPolarHBondContact O-CA 3.39Å; L16-F137 HydrophobicContact CB-CD1 4.48Å; L16-F137 HydrophobicContact CB-CE1 3.83Å; L16-F137 HydrophobicContact CB-CE2 4.15Å; L16-F137 HydrophobicContact CB-CZ 3.65Å; L16-F137 HydrophobicContact CD1-CE2 4.09Å; L16-F137 HydrophobicContact CD1-CZ 3.83Å; L16-F137 HydrophobicContact CG-CZ 4.33Å; L16-F137 PolarHBondContact N-O 2.86Å; L16-F137 WeakPolarHBondContact O-CD1 3.19Å; L16-F137 PolarHBondContact O-N 2.96Å
17N95.6Very high91.5Very high24 Ų2462.1 Ų62.113%0.12833%0.325CS..EExtended strand (participates in β ladder)trans-83.9126.8171.7-178.4-76.1000109.3E19 D20 T21 G135 W136N17-E19 PolarHBondContact O-N 3.41Å; N17-E19 WeakPolarHBondContact OD1-CB 3.33Å; N17-E19 PolarHBondContact OD1-N 3.36Å; N17-E19 VanDerWaalsContact OD1-N 3.08Å; N17-D20 HydrophobicContact CB-CB 4.17Å; N17-D20 PolarHBondContact O-N 3.49Å; N17-D20 PolarHBondContact OD1-N 2.98Å; N17-D20 VanDerWaalsContact OD1-N 3.17Å; N17-T21 WeakPolarHBondContact O-CG2 3.4Å; N17-T21 PolarHBondContact O-N 3.04Å; N17-T21 VanDerWaalsContact O-N 3.07Å; N17-G135 CarbonylContact C-O 3.54Å; N17-G135 WeakPolarHBondContact CA-O 3.29Å; N17-W136 HydrophobicContact CB-CD2 4.04Å; N17-W136 HydrophobicContact CB-CE3 4Å; N17-W136 HydrophobicContact CB-CH2 3.93Å; N17-W136 HydrophobicContact CB-CZ2 3.97Å; N17-W136 HydrophobicContact CB-CZ3 3.95Å; N17-W136 VanDerWaalsContact N-CZ3 3.34Å
18Y93.9Very high92.6Very high16 Ų1662 Ų626%0.06332%0.317CS..Hα-helixtrans-62.1-45.4-173.5-170.5-93.2000112.4D20 T21 E22 R123 L126 E127 V131 G135 F137Y18-D20 VanDerWaalsContact C-N 3.34Å; Y18-D20 PolarHBondContact O-N 2.94Å; Y18-T21 PolarHBondContact O-N 3.07Å; Y18-T21 VanDerWaalsContact O-N 3.1Å; Y18-T21 PolarHBondContact O-OG1 3.2Å; Y18-E22 HydrophobicContact CE1-CG 4.31Å; Y18-E22 PolarHBondContact O-N 2.73Å; Y18-R123 PolarHBondContact OH-O 3.44Å; Y18-L126 HydrophobicContact CD2-CD2 4.3Å; Y18-L126 HydrophobicContact CE2-CD2 4.22Å; Y18-E127 HydrophobicContact CD1-CG 4.33Å; Y18-E127 HydrophobicContact CE1-CB 4.09Å; Y18-E127 HydrophobicContact CE1-CG 3.84Å; Y18-E127 HydrophobicContact CE2-CB 3.92Å; Y18-E127 HydrophobicContact CE2-CG 4.5Å; Y18-V131 HydrophobicContact CD2-CG2 3.57Å; Y18-V131 HydrophobicContact CE2-CG2 4.34Å; Y18-V131 HydrophobicContact CG-CG2 3.84Å; Y18-G135 PolarHBondContact N-O 2.64Å; Y18-F137 HydrophobicContact CD2-CD1 4.15Å; Y18-F137 HydrophobicContact CD2-CE1 4.07Å
19E92.9Very high92.9Very high136 Ų13662.4 Ų62.464%0.63632%0.32SS*.Hα-helixtrans-63.5-40.1179.3-65.1-173.2172.100112N17 T21 E22N17-E19 PolarHBondContact O-N 3.41Å; N17-E19 WeakPolarHBondContact OD1-CB 3.33Å; N17-E19 PolarHBondContact OD1-N 3.36Å; N17-E19 VanDerWaalsContact OD1-N 3.08Å; E19-T21 PolarHBondContact O-N 3.33Å; E19-E22 WeakPolarHBondContact O-CB 3.39Å; E19-E22 PolarHBondContact O-N 3.4Å; E19-E22 VanDerWaalsContact O-N 3.11Å
20D93.5Very high93.1Very high80 Ų8062 Ų6243%0.42832%0.316SS..Hα-helixtrans-65.7-32.8175.8-68.2-26.5000111.7N17 Y18 E22 K23N17-D20 HydrophobicContact CB-CB 4.17Å; N17-D20 PolarHBondContact O-N 3.49Å; N17-D20 PolarHBondContact OD1-N 2.98Å; N17-D20 VanDerWaalsContact OD1-N 3.17Å; Y18-D20 VanDerWaalsContact C-N 3.34Å; Y18-D20 PolarHBondContact O-N 2.94Å; D20-E22 VanDerWaalsContact C-N 3.26Å; D20-E22 PolarHBondContact O-N 3.46Å; D20-K23 PolarHBondContact O-N 3.32Å; D20-K23 IonicContact OD1-NZ 3.82Å; D20-K23 PolarHBondContact OD1-NZ 3.04Å
21T92.2Very high93.1Very high9 Ų963.5 Ų63.56%0.05533%0.329CS..Hα-helixtrans-70.1-20.5174.177.30000113.4L16 N17 Y18 E19 K23 V24 P48 R49 R123 F137L16-T21 HydrophobicContact CB-CG2 4.03Å; L16-T21 HydrophobicContact CD1-CG2 4.42Å; N17-T21 WeakPolarHBondContact O-CG2 3.4Å; N17-T21 PolarHBondContact O-N 3.04Å; N17-T21 VanDerWaalsContact O-N 3.07Å; Y18-T21 PolarHBondContact O-N 3.07Å; Y18-T21 VanDerWaalsContact O-N 3.1Å; Y18-T21 PolarHBondContact O-OG1 3.2Å; E19-T21 PolarHBondContact O-N 3.33Å; T21-K23 VanDerWaalsContact C-N 3.34Å; T21-V24 WeakPolarHBondContact O-CG2 3.44Å; T21-P48 HydrophobicContact CG2-CB 3.77Å; T21-P48 HydrophobicContact CG2-CG 4.28Å; T21-R49 WeakPolarHBondContact O-CD 3.15Å; T21-R49 WeakPolarHBondContact O-CG 3.42Å; T21-R123 PolarHBondContact OG1-NH1 3.41Å; T21-R123 PolarHBondContact OG1-NH2 3.06Å; T21-F137 HydrophobicContact CG2-CE1 4.11Å; T21-F137 HydrophobicContact CG2-CZ 4.21Å
22E89.6Confident93.1Very high78 Ų7859.4 Ų59.436%0.36430%0.304SS..Hα-helixtrans-73.5-28.7173-76-62.8154.200112.2Y18 E19 D20 V24 R49 R123Y18-E22 HydrophobicContact CE1-CG 4.31Å; Y18-E22 PolarHBondContact O-N 2.73Å; E19-E22 WeakPolarHBondContact O-CB 3.39Å; E19-E22 PolarHBondContact O-N 3.4Å; E19-E22 VanDerWaalsContact O-N 3.11Å; D20-E22 VanDerWaalsContact C-N 3.26Å; D20-E22 PolarHBondContact O-N 3.46Å; E22-V24 VanDerWaalsContact C-N 3.32Å; E22-V24 PolarHBondContact O-N 3.25Å; E22-R49 PolarHBondContact O-NH1 3.21Å; E22-R49 IonicContact OE2-CZ 3.3Å; E22-R49 IonicContact OE2-NE 3.09Å; E22-R49 IonicContact OE2-NH2 3.04Å; E22-R123 IonicContact OE1-CZ 2.72Å; E22-R123 VanDerWaalsContact OE1-CZ 3.22Å; E22-R123 IonicContact OE1-NE 3.64Å; E22-R123 PolarHBondContact OE1-NE 3.26Å; E22-R123 IonicContact OE1-NH2 2.71Å; E22-R123 PolarHBondContact OE1-NH2 3.24Å
23K91.3Very high93.1Very high154 Ų15465 Ų6567%0.6733%0.33SS*.Hα-helixtrans-75.7-18.5-178.3-60.2168.8-163.9157.80113.2D20 T21D20-K23 PolarHBondContact O-N 3.32Å; D20-K23 IonicContact OD1-NZ 3.82Å; D20-K23 PolarHBondContact OD1-NZ 3.04Å; T21-K23 VanDerWaalsContact C-N 3.34Å
24V90.9Very high93Very high36 Ų3663.1 Ų63.122%0.21832%0.324CS..SBendtrans-83.5157.2179.3-600000112.1T21 E22 Y28 R49T21-V24 WeakPolarHBondContact O-CG2 3.44Å; E22-V24 VanDerWaalsContact C-N 3.32Å; E22-V24 PolarHBondContact O-N 3.25Å; V24-Y28 HydrophobicContact CB-CD1 3.82Å; V24-Y28 HydrophobicContact CB-CG 3.83Å; V24-Y28 HydrophobicContact CG1-CD1 3.83Å; V24-Y28 HydrophobicContact CG1-CE1 4.01Å; V24-Y28 HydrophobicContact CG1-CG 4.11Å; V24-Y28 HydrophobicContact CG2-CD1 3.79Å; V24-Y28 HydrophobicContact CG2-CG 4.16Å; V24-R49 HydrophobicContact CG2-CG 4.35Å; V24-R49 WeakPolarHBondContact O-CD 3.41Å; V24-R49 PolarHBondContact O-NH1 3.4Å
25A91.9Very high92.9Very high61 Ų6164.7 Ų64.750%0.50433%0.332SS..PPolyproline II helixtrans-75.6156.1176.800000112.4G27 Y28A25-G27 PolarHBondContact O-N 3.21Å; A25-Y28 WeakPolarHBondContact O-CB 3.15Å; A25-Y28 PolarHBondContact O-N 3.3Å
26I90.1Very high92.8Very high55 Ų5562.8 Ų62.828%0.28233%0.328SS..THydrogen-bonded Turntrans-59.7134.4170.4-62.1171.7000109.6Y28 R49 R52 K59I26-Y28 VanDerWaalsContact C-N 3.3Å; I26-R49 HydrophobicContact CG1-CB 4.39Å; I26-R52 PolarHBondContact O-NE 3.19Å; I26-R52 VanDerWaalsContact O-NE 3.12Å; I26-K59 HydrophobicContact CD1-CB 4.24Å
27G89.8Confident92.6Very high10 Ų1061.7 Ų61.710%0.10332%0.322CS..THydrogen-bonded Turntrans78.33.4-171.900000115.9A25 S29 G50A25-G27 PolarHBondContact O-N 3.21Å; G27-S29 PolarHBondContact O-N 3.45Å; G27-G50 WeakPolarHBondContact CA-O 3.03Å; G27-G50 PolarHBondContact N-O 3.43Å
28Y93.3Very high92.2Very high116 Ų11661.2 Ų61.246%0.45532%0.323SS..  trans-63132.6162.6177.1-95.4000109.1V24 A25 I26 V30 P48V24-Y28 HydrophobicContact CB-CD1 3.82Å; V24-Y28 HydrophobicContact CB-CG 3.83Å; V24-Y28 HydrophobicContact CG1-CD1 3.83Å; V24-Y28 HydrophobicContact CG1-CE1 4.01Å; V24-Y28 HydrophobicContact CG1-CG 4.11Å; V24-Y28 HydrophobicContact CG2-CD1 3.79Å; V24-Y28 HydrophobicContact CG2-CG 4.16Å; A25-Y28 WeakPolarHBondContact O-CB 3.15Å; A25-Y28 PolarHBondContact O-N 3.3Å; I26-Y28 VanDerWaalsContact C-N 3.3Å; Y28-V30 HydrophobicContact CD1-CG2 4.49Å; Y28-V30 HydrophobicContact CE1-CG2 3.7Å; Y28-P48 WeakPolarHBondContact O-CD 3.34Å
29S92.8Very high91.9Very high46 Ų4662.7 Ų62.732%0.32234%0.343SS..  trans-123142.4-178.560.60000112.2G27 C46G27-S29 PolarHBondContact O-N 3.45Å; S29-C46 CarbonylContact C-O 3.59Å; S29-C46 VanDerWaalsContact CA-O 3.23Å; S29-C46 WeakPolarHBondContact CA-O 2.98Å
30V94.4Very high91.8Very high41 Ų4157.5 Ų57.525%0.24832%0.319CS..EExtended strand (participates in β ladder)trans-107.7131.8163.4-1700000107F14 L16 Y28 C46 P48F14-V30 HydrophobicContact CD1-CB 4.29Å; F14-V30 HydrophobicContact CD1-CG1 3.98Å; F14-V30 HydrophobicContact CE1-CB 4.33Å; F14-V30 HydrophobicContact CE1-CG1 4.07Å; F14-V30 WeakPolarHBondContact CE1-O 3.37Å; L16-V30 HydrophobicContact CD2-CG2 4.26Å; Y28-V30 HydrophobicContact CD1-CG2 4.49Å; Y28-V30 HydrophobicContact CE1-CG2 3.7Å; V30-C46 PolarHBondContact N-O 3.11Å; V30-C46 PolarHBondContact O-N 3.48Å; V30-P48 HydrophobicContact CG2-CG 4.49Å
31S94.9Very high91.8Very high54 Ų5456.8 Ų56.838%0.37832%0.315SS..EExtended strand (participates in β ladder)trans-122.1153.9-179.358.90000111.6I44S31-I44 CarbonylContact C-O 3.6Å; S31-I44 VanDerWaalsContact CA-O 3.26Å; S31-I44 WeakPolarHBondContact CA-O 3.46Å
32S94.5Very high91.8Very high6 Ų656.4 Ų56.44%0.04231%0.312CS..PPolyproline II helixtrans-64.2168163.670.40000110.6I44S32-I44 PolarHBondContact N-O 3.17Å; S32-I44 PolarHBondContact OG-N 3.11Å
33E93.8Very high92.1Very high169 Ų16955.8 Ų55.879%0.7931%0.307SS*.PPolyproline II helixtrans-63.8170.5158.5-61.3-175.4165.100110.5I35E33-I35 PolarHBondContact O-N 3Å
34D92.9Very high92.3Very high74 Ų7448.5 Ų48.540%0.39628%0.275SS..PPolyproline II helixtrans-74.4119171.5-69.3-23.6000109.7L41 R43D34-L41 HydrophobicContact CB-CD2 4.32Å; D34-R43 IonicContact OD1-CZ 3.9Å; D34-R43 IonicContact OD1-NE 3.92Å; D34-R43 PolarHBondContact OD1-NE 2.84Å; D34-R43 IonicContact OD1-NH2 2.76Å; D34-R43 PolarHBondContact OD1-NH2 3.25Å; D34-R43 IonicContact OD2-CZ 2.63Å; D34-R43 IonicContact OD2-NH2 3.92Å; D34-R43 PolarHBondContact OD2-NH2 3.17Å
35I93.8Very high92.5Very high41 Ų4146.8 Ų46.821%0.2127%0.265CS..EExtended strand (participates in β ladder)trans-109.5124.9-175.4-59.5168.3000108.8F10 E33 W42F10-I35 HydrophobicContact CB-CG2 3.89Å; F10-I35 HydrophobicContact CD1-CG2 4.01Å; F10-I35 HydrophobicContact CD2-CB 4.14Å; F10-I35 HydrophobicContact CD2-CD1 3.5Å; F10-I35 HydrophobicContact CD2-CG1 4.41Å; F10-I35 HydrophobicContact CD2-CG2 3.81Å; F10-I35 HydrophobicContact CE1-CG2 4.44Å; F10-I35 HydrophobicContact CE2-CB 4.16Å; F10-I35 HydrophobicContact CE2-CD1 3.67Å; F10-I35 HydrophobicContact CE2-CG1 4.49Å; F10-I35 HydrophobicContact CE2-CG2 4.28Å; F10-I35 HydrophobicContact CG-CB 4.41Å; F10-I35 HydrophobicContact CG-CD1 4.41Å; F10-I35 HydrophobicContact CG-CG2 3.65Å; F10-I35 HydrophobicContact CZ-CB 4.43Å; E33-I35 PolarHBondContact O-N 3Å; I35-W42 PolarHBondContact N-O 3.4Å; I35-W42 PolarHBondContact O-N 3.34Å
36L92.6Very high92.7Very high88 Ų8843.9 Ų43.946%0.46124%0.241SC..EExtended strand (participates in β ladder)trans-82.5117175.8-172.468.9000110F6 H40 L41F6-L36 HydrophobicContact CD1-CD2 3.79Å; F6-L36 HydrophobicContact CD1-CG 4.3Å; F6-L36 HydrophobicContact CE1-CD2 3.5Å; F6-L36 VanDerWaalsContact CE1-CD2 3.5Å; F6-L36 HydrophobicContact CE1-CG 4.43Å; L36-H40 WeakPolarHBondContact CA-O 3.48Å; L36-L41 HydrophobicContact CB-CD2 4.18Å; L36-L41 HydrophobicContact CD1-CD2 4.01Å; L36-L41 HydrophobicContact CD1-CG 4.29Å
37A90.5Very high92.9Very high1 Ų142.3 Ų42.31%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-144.5134.9176.200000111.6N7 F10 G39 H40 W42 V145N7-A37 VanDerWaalsContact O-CA 3.25Å; N7-A37 WeakPolarHBondContact O-CA 3.39Å; N7-A37 WeakPolarHBondContact O-CB 3.3Å; F10-A37 HydrophobicContact CD1-CB 3.45Å; F10-A37 VanDerWaalsContact CD1-CB 3.45Å; F10-A37 HydrophobicContact CE1-CB 3.8Å; A37-G39 PolarHBondContact O-N 2.93Å; A37-G39 VanDerWaalsContact O-N 3.14Å; A37-H40 PolarHBondContact N-O 3.22Å; A37-H40 PolarHBondContact O-N 3.48Å; A37-H40 VanDerWaalsContact O-O 3.1Å; A37-W42 PolarHBondContact O-NE1 3.38Å; A37-V145 HydrophobicContact CB-CG2 3.81Å
38G86.3Confident93.1Very high14 Ų1442 Ų4214%0.14423%0.227CC..THydrogen-bonded Turntrans54.428.1-177.200000115N7 H40N7-G38 PolarHBondContact O-N 3.43Å; G38-H40 PolarHBondContact O-CD2 2.87Å; G38-H40 VanDerWaalsContact O-CD2 3.27Å
39G87.7Confident93Very high48 Ų4839.6 Ų39.650%0.49522%0.217SC..THydrogen-bonded Turntrans84.14-177.300000115.3A37A37-G39 PolarHBondContact O-N 2.93Å; A37-G39 VanDerWaalsContact O-N 3.14Å
40H90.4Very high92.9Very high26 Ų2637.4 Ų37.412%0.1220%0.202CC..EExtended strand (participates in β ladder)trans-121.6149.3-179.4-64.5-100.6000111.3L36 A37 G38 W42 H69 S71 K74 A76L36-H40 WeakPolarHBondContact CA-O 3.48Å; A37-H40 PolarHBondContact N-O 3.22Å; A37-H40 PolarHBondContact O-N 3.48Å; A37-H40 VanDerWaalsContact O-O 3.1Å; G38-H40 PolarHBondContact O-CD2 2.87Å; G38-H40 VanDerWaalsContact O-CD2 3.27Å; H40-W42 HydrophobicContact CB-CZ2 4.08Å; H40-W42 PolarHBondContact O-NE1 3.39Å; H40-H69 AromaticContact CE1-NE2 3.91Å; H40-H69 AromaticContact CG-NE2 3.58Å; H40-H69 AromaticContact ND1-CD2 3.99Å; H40-H69 AromaticContact ND1-CE1 3.71Å; H40-H69 AromaticContact ND1-NE2 2.91Å; H40-H69 PolarHBondContact ND1-NE2 3.18Å; H40-S71 WeakPolarHBondContact CA-OG 3.39Å; H40-K74 PolarHBondContact CE1-O 3.19Å; H40-A76 HydrophobicContact CB-CB 4.47Å
41L93.3Very high92.5Very high66 Ų6636 Ų3635%0.34619%0.193SC..EExtended strand (participates in β ladder)trans-88.8130.8173.2-71.4169.9000109.4D34 L36 E70 S71D34-L41 HydrophobicContact CB-CD2 4.32Å; L36-L41 HydrophobicContact CB-CD2 4.18Å; L36-L41 HydrophobicContact CD1-CD2 4.01Å; L36-L41 HydrophobicContact CD1-CG 4.29Å; L41-E70 HydrophobicContact CB-CB 4.12Å; L41-E70 PolarHBondContact O-N 2.99Å; L41-S71 PolarHBondContact N-OG 2.75Å
42W94.1Very high91.9Very high0 Ų041 Ų410%020%0.204CC..EExtended strand (participates in β ladder)trans-130148.4-176.6-59.691.5000111.2F10 I35 A37 H40 L67 R68 H69 A76 A78 F103 V145F10-W42 HydrophobicContact CE1-CB 3.78Å; F10-W42 AromaticContact CE1-CD1 3.95Å; F10-W42 AromaticContact CE1-CG 3.91Å; F10-W42 HydrophobicContact CE1-CG 3.91Å; F10-W42 HydrophobicContact CZ-CB 3.48Å; F10-W42 VanDerWaalsContact CZ-CB 3.48Å; F10-W42 HydrophobicContact CZ-CG 4.09Å; I35-W42 PolarHBondContact N-O 3.4Å; I35-W42 PolarHBondContact O-N 3.34Å; A37-W42 PolarHBondContact O-NE1 3.38Å; H40-W42 HydrophobicContact CB-CZ2 4.08Å; H40-W42 PolarHBondContact O-NE1 3.39Å; W42-L67 HydrophobicContact CB-CD1 4.17Å; W42-L67 HydrophobicContact CD2-CD1 4.47Å; W42-L67 HydrophobicContact CE3-CD1 3.79Å; W42-L67 HydrophobicContact CE3-CD2 3.71Å; W42-L67 HydrophobicContact CE3-CG 3.71Å; W42-L67 HydrophobicContact CZ3-CD2 3.75Å; W42-L67 HydrophobicContact CZ3-CG 4.05Å; W42-R68 WeakPolarHBondContact CA-O 3.23Å; W42-H69 HydrophobicContact CE3-CB 4.03Å; W42-H69 HydrophobicContact CH2-CB 4.28Å; W42-H69 AromaticContact CH2-CD2 3.83Å; W42-H69 AromaticContact CZ2-CD2 3.89Å; W42-H69 HydrophobicContact CZ3-CB 3.71Å; W42-H69 AromaticContact CZ3-CD2 3.98Å; W42-A76 HydrophobicContact CH2-CB 3.65Å; W42-A76 HydrophobicContact CZ2-CB 3.5Å; W42-A76 VanDerWaalsContact CZ2-CB 3.5Å; W42-A78 HydrophobicContact CH2-CB 3.53Å; W42-A78 HydrophobicContact CZ2-CB 4Å; W42-A78 HydrophobicContact CZ3-CB 4Å; W42-F103 HydrophobicContact CH2-CB 4.11Å; W42-F103 AromaticContact CH2-CD2 3.96Å; W42-F103 HydrophobicContact CH2-CD2 3.96Å; W42-F103 HydrophobicContact CH2-CG 4.15Å; W42-F103 HydrophobicContact CZ3-CB 4.01Å; W42-F103 HydrophobicContact CZ3-CD1 4.24Å; W42-F103 AromaticContact CZ3-CD2 3.81Å; W42-F103 HydrophobicContact CZ3-CD2 3.81Å; W42-F103 HydrophobicContact CZ3-CE2 4.33Å; W42-F103 AromaticContact CZ3-CG 3.77Å; W42-F103 HydrophobicContact CZ3-CG 3.77Å; W42-V145 HydrophobicContact CZ2-CG1 4.23Å; W42-V145 HydrophobicContact CZ2-CG2 3.88Å; W42-V145 VanDerWaalsContact NE1-CG2 3.31Å
43R95.2Very high91.2Very high66 Ų6647.1 Ų47.125%0.24923%0.231CC..EExtended strand (participates in β ladder)trans-135.1127.8174-170.2180-66.6176.93.7110.5D34 V45 R68 E70D34-R43 IonicContact OD1-CZ 3.9Å; D34-R43 IonicContact OD1-NE 3.92Å; D34-R43 PolarHBondContact OD1-NE 2.84Å; D34-R43 IonicContact OD1-NH2 2.76Å; D34-R43 PolarHBondContact OD1-NH2 3.25Å; D34-R43 IonicContact OD2-CZ 2.63Å; D34-R43 IonicContact OD2-NH2 3.92Å; D34-R43 PolarHBondContact OD2-NH2 3.17Å; R43-V45 HydrophobicContact CG-CG2 4.26Å; R43-R68 HydrophobicContact CB-CB 4.38Å; R43-R68 PolarHBondContact N-O 3.31Å; R43-R68 PolarHBondContact O-N 2.95Å; R43-E70 HydrophobicContact CB-CG 3.91Å
44I95.3Very high90.3Very high0 Ų040.1 Ų40.10%020%0.199CC..EExtended strand (participates in β ladder)trans-92.3133.7171.9-57.4165000107.7F10 H12 F14 S31 S32 M65 F66 L67 F80 V143F10-I44 HydrophobicContact CD2-CD1 4.32Å; F10-I44 HydrophobicContact CE2-CD1 3.6Å; F10-I44 HydrophobicContact CE2-CG1 4.02Å; F10-I44 HydrophobicContact CZ-CD1 4.43Å; H12-I44 HydrophobicContact CB-CD1 3.83Å; F14-I44 HydrophobicContact CE2-CB 4.34Å; F14-I44 HydrophobicContact CE2-CG2 3.73Å; F14-I44 HydrophobicContact CZ-CB 4.38Å; F14-I44 HydrophobicContact CZ-CG2 4.16Å; S31-I44 CarbonylContact C-O 3.6Å; S31-I44 VanDerWaalsContact CA-O 3.26Å; S31-I44 WeakPolarHBondContact CA-O 3.46Å; S32-I44 PolarHBondContact N-O 3.17Å; S32-I44 PolarHBondContact OG-N 3.11Å; I44-M65 HydrophobicContact CG2-CE 3.62Å; I44-F66 CarbonylContact C-O 3.59Å; I44-F66 WeakPolarHBondContact CA-O 3.4Å; I44-L67 HydrophobicContact CG1-CD1 4.03Å; I44-F80 HydrophobicContact CD1-CE2 4.42Å; I44-F80 HydrophobicContact CG1-CE2 4.3Å; I44-F80 HydrophobicContact CG2-CE2 4.11Å; I44-F80 HydrophobicContact CG2-CZ 3.98Å; I44-V143 HydrophobicContact CD1-CG2 3.96Å; I44-V143 HydrophobicContact CG1-CG2 4.18Å
45V95.7Very high89.3Confident1 Ų144.1 Ų44.11%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-124.7122.7-177.3-171.60000109.5R43 Y47 M65 F66 R68R43-V45 HydrophobicContact CG-CG2 4.26Å; V45-Y47 HydrophobicContact CB-CE2 4.26Å; V45-Y47 HydrophobicContact CG1-CD2 4.14Å; V45-Y47 HydrophobicContact CG1-CE2 3.49Å; V45-Y47 VanDerWaalsContact CG1-CE2 3.49Å; V45-M65 CarbonylContact O-C 3.5Å; V45-M65 WeakPolarHBondContact O-CA 3.33Å; V45-F66 PolarHBondContact N-O 3.39Å; V45-F66 PolarHBondContact O-N 3.02Å; V45-R68 HydrophobicContact CG2-CG 4.19Å
46C95.2Very high88.3Confident0 Ų050.2 Ų50.20%024%0.24CC..EExtended strand (participates in β ladder)trans-106.6132.8175.5-179.70000109.5F14 S29 V30 P48F14-C46 HydrophobicContact CD1-CB 4.19Å; F14-C46 HydrophobicContact CD2-CB 3.84Å; F14-C46 HydrophobicContact CE1-CB 4.2Å; F14-C46 HydrophobicContact CE2-CB 3.84Å; F14-C46 HydrophobicContact CG-CB 4.01Å; F14-C46 HydrophobicContact CZ-CB 4.02Å; S29-C46 CarbonylContact C-O 3.59Å; S29-C46 VanDerWaalsContact CA-O 3.23Å; S29-C46 WeakPolarHBondContact CA-O 2.98Å; V30-C46 PolarHBondContact N-O 3.11Å; V30-C46 PolarHBondContact O-N 3.48Å; C46-P48 WeakPolarHBondContact O-CD 3.34Å
47Y94.9Very high87.5Confident22 Ų2251.6 Ų51.69%0.08625%0.248CC..EExtended strand (participates in β ladder)trans-113.796.3172.4-63.5-97.5000108.5V45 R49 G50 L63 S64 F66 R68V45-Y47 HydrophobicContact CB-CE2 4.26Å; V45-Y47 HydrophobicContact CG1-CD2 4.14Å; V45-Y47 HydrophobicContact CG1-CE2 3.49Å; V45-Y47 VanDerWaalsContact CG1-CE2 3.49Å; Y47-R49 VanDerWaalsContact C-N 3.32Å; Y47-R49 PolarHBondContact O-N 3.08Å; Y47-G50 PolarHBondContact O-N 3.15Å; Y47-L63 WeakPolarHBondContact O-CA 3.37Å; Y47-S64 PolarHBondContact N-O 3.41Å; Y47-S64 PolarHBondContact O-N 3.06Å; Y47-F66 AromaticContact CD2-CD2 3.89Å; Y47-F66 HydrophobicContact CD2-CD2 3.89Å; Y47-F66 HydrophobicContact CD2-CE2 4.17Å; Y47-F66 AromaticContact CE2-CD2 3.7Å; Y47-F66 HydrophobicContact CE2-CD2 3.7Å; Y47-F66 HydrophobicContact CE2-CE2 4.12Å; Y47-R68 PolarHBondContact OH-NH2 3.48Å
48P93.1Very high86.6Confident2 Ų255.9 Ų55.91%0.01327%0.266CS..THydrogen-bonded Turntrans-60.4-39.7-172.2-26.736.3000113.3L16 T21 Y28 V30 C46 R123L16-P48 HydrophobicContact CD1-CB 4.37Å; L16-P48 HydrophobicContact CD1-CG 3.73Å; T21-P48 HydrophobicContact CG2-CB 3.77Å; T21-P48 HydrophobicContact CG2-CG 4.28Å; Y28-P48 WeakPolarHBondContact O-CD 3.34Å; V30-P48 HydrophobicContact CG2-CG 4.49Å; C46-P48 WeakPolarHBondContact O-CD 3.34Å; P48-R123 PolarHBondContact O-NH1 3.27Å
49R91.8Very high86.3Confident67 Ų6759.3 Ų59.325%0.25328%0.277SS..THydrogen-bonded Turntrans-99.326.5173.4-68.4-170.583.1-175.88.4113.3T21 E22 V24 I26 Y47 G60T21-R49 WeakPolarHBondContact O-CD 3.15Å; T21-R49 WeakPolarHBondContact O-CG 3.42Å; E22-R49 PolarHBondContact O-NH1 3.21Å; E22-R49 IonicContact OE2-CZ 3.3Å; E22-R49 IonicContact OE2-NE 3.09Å; E22-R49 IonicContact OE2-NH2 3.04Å; V24-R49 HydrophobicContact CG2-CG 4.35Å; V24-R49 WeakPolarHBondContact O-CD 3.41Å; V24-R49 PolarHBondContact O-NH1 3.4Å; I26-R49 HydrophobicContact CG1-CB 4.39Å; Y47-R49 VanDerWaalsContact C-N 3.32Å; Y47-R49 PolarHBondContact O-N 3.08Å; R49-G60 VanDerWaalsContact O-CA 3.28Å; R49-G60 WeakPolarHBondContact O-CA 3.49Å
50G89.7Confident86.1Confident0 Ų057.7 Ų57.70%026%0.261CS..  trans80.4161.9174.200000115.3G27 Y47 C62 S64G27-G50 WeakPolarHBondContact CA-O 3.03Å; G27-G50 PolarHBondContact N-O 3.43Å; Y47-G50 PolarHBondContact O-N 3.15Å; G50-C62 WeakPolarHBondContact CA-O 3.43Å; G50-C62 PolarHBondContact N-O 3Å; G50-C62 VanDerWaalsContact N-O 3.09Å; G50-S64 VanDerWaalsContact CA-OG 3.31Å; G50-S64 WeakPolarHBondContact CA-OG 3.38Å
51D86.9Confident86Confident11 Ų1161.5 Ų61.56%0.05928%0.278CS..  trans-73145.3178.8179.330.3000111.8H53 E54 S64 F66 R118D51-H53 PolarHBondContact O-N 3.13Å; D51-H53 IonicContact OD1-CD2 2.85Å; D51-H53 IonicContact OD2-CD2 2.68Å; D51-E54 WeakPolarHBondContact O-CB 3.04Å; D51-E54 PolarHBondContact O-N 2.93Å; D51-S64 PolarHBondContact N-OG 3.36Å; D51-F66 HydrophobicContact CB-CE2 4.17Å; D51-R118 HydrophobicContact CB-CG 4.3Å; D51-R118 IonicContact OD2-CZ 3.83Å; D51-R118 IonicContact OD2-NE 3.86Å; D51-R118 PolarHBondContact OD2-NE 3.13Å
52R82.7Confident85.9Confident158 Ų15858.4 Ų58.460%0.59626%0.263SS*.THydrogen-bonded Turntrans-64.3-24.8178.9-92.3160.2-171.3-159.97.8113I26 E54 K59I26-R52 PolarHBondContact O-NE 3.19Å; I26-R52 VanDerWaalsContact O-NE 3.12Å; R52-E54 VanDerWaalsContact C-N 3.33Å; R52-K59 WeakPolarHBondContact O-CE 3.11Å
53H80Confident85.9Confident135 Ų13558.4 Ų58.463%0.62526%0.263SS*.THydrogen-bonded Turntrans-9111.4-178.4-55.3-75000113.5D51 R118D51-H53 PolarHBondContact O-N 3.13Å; D51-H53 IonicContact OD1-CD2 2.85Å; D51-H53 IonicContact OD2-CD2 2.68Å; H53-R118 PolarHBondContact O-NH1 3.19Å
54E73.7Confident85.8Confident23 Ų2355.3 Ų55.311%0.10725%0.251CS..SBendtrans-64.5154.4169.1-155.692.6-132.200111.2D51 R52 K58 K59 R118D51-E54 WeakPolarHBondContact O-CB 3.04Å; D51-E54 PolarHBondContact O-N 2.93Å; R52-E54 VanDerWaalsContact C-N 3.33Å; E54-K58 HydrophobicContact CG-CB 3.72Å; E54-K59 HydrophobicContact CB-CG 4.08Å; E54-K59 VanDerWaalsContact O-CE 3.25Å; E54-K59 WeakPolarHBondContact O-CE 3.46Å; E54-R118 WeakPolarHBondContact OE1-CB 3.31Å; E54-R118 VanDerWaalsContact OE2-C 3.29Å; E54-R118 WeakPolarHBondContact OE2-CB 3.42Å; E54-R118 VanDerWaalsContact OE2-O 3.05Å
55K73.4Confident85.8Confident157 Ų15755.3 Ų55.368%0.68325%0.251SS*.  trans-59.7142171.4-65.7-174.6178.7-175.10109.5N57 K58 K59K55-N57 WeakPolarHBondContact CB-OD1 3.39Å; K55-N57 PolarHBondContact O-N 3.45Å; K55-N57 VanDerWaalsContact O-N 3.1Å; K55-K58 PolarHBondContact O-N 3.04Å; K55-K59 PolarHBondContact O-N 2.76Å
56E72.6Confident85.7Confident170 Ų17056.2 Ų56.279%0.79426%0.255SS*.G310 helixtrans-50.7-40.6-175.3-81.2-172.415200113.7K58 K59E56-K58 PolarHBondContact O-N 3.39Å; E56-K58 VanDerWaalsContact O-N 3.16Å; E56-K59 PolarHBondContact O-N 3.28Å
57N75Confident85.7Confident116 Ų11656.2 Ų56.262%0.6226%0.255SS*.G310 helixtrans-71.9-1.4179.769.8-23.5000115.5K55K55-N57 WeakPolarHBondContact CB-OD1 3.39Å; K55-N57 PolarHBondContact O-N 3.45Å; K55-N57 VanDerWaalsContact O-N 3.1Å
58K72Confident85.7Confident91 Ų9158.6 Ų58.640%0.39626%0.264SS..G310 helixtrans-127.4-1.4177.6-67.6-172.9177.5-171.30112.9E54 K55 E56 G60 E61E54-K58 HydrophobicContact CG-CB 3.72Å; K55-K58 PolarHBondContact O-N 3.04Å; E56-K58 PolarHBondContact O-N 3.39Å; E56-K58 VanDerWaalsContact O-N 3.16Å; K58-G60 PolarHBondContact O-N 3.24Å; K58-E61 PolarHBondContact O-N 3.08Å; K58-E61 VanDerWaalsContact O-N 3.14Å
59K79.5Confident85.7Confident87 Ų8758.7 Ų58.738%0.37826%0.264SS..THydrogen-bonded Turntrans-61.2125.3-178.3-83.7-176.8-179.5173.70109.7I26 R52 E54 K55 E56 E61I26-K59 HydrophobicContact CD1-CB 4.24Å; R52-K59 WeakPolarHBondContact O-CE 3.11Å; E54-K59 HydrophobicContact CB-CG 4.08Å; E54-K59 VanDerWaalsContact O-CE 3.25Å; E54-K59 WeakPolarHBondContact O-CE 3.46Å; K55-K59 PolarHBondContact O-N 2.76Å; E56-K59 PolarHBondContact O-N 3.28Å; K59-E61 VanDerWaalsContact C-N 3.28Å; K59-E61 PolarHBondContact O-N 3.37Å
60G83.4Confident85.7Confident14 Ų1456.5 Ų56.514%0.14426%0.257CS..THydrogen-bonded Turntrans85.1-10.6179.400000115.2R49 K58 R123R49-G60 VanDerWaalsContact O-CA 3.28Å; R49-G60 WeakPolarHBondContact O-CA 3.49Å; K58-G60 PolarHBondContact O-N 3.24Å; G60-R123 WeakPolarHBondContact O-CD 3.48Å
61E88.5Confident85.7Confident105 Ų10557.2 Ų57.249%0.49126%0.262SS..THydrogen-bonded Turntrans-85.9-24.9-174.4-62.4-166.2162.300113.8K58 K59 R123K58-E61 PolarHBondContact O-N 3.08Å; K58-E61 VanDerWaalsContact O-N 3.14Å; K59-E61 VanDerWaalsContact C-N 3.28Å; K59-E61 PolarHBondContact O-N 3.37Å; E61-R123 WeakPolarHBondContact O-CB 3.19Å; E61-R123 WeakPolarHBondContact O-CG 3.31Å; E61-R123 PolarHBondContact O-N 3.32Å
62C91.4Very high85.5Confident2 Ų264.2 Ų64.21%0.01429%0.294CS..EExtended strand (participates in β ladder)trans-123.2144.8-176.1-630000111G50 S119 V121G50-C62 WeakPolarHBondContact CA-O 3.43Å; G50-C62 PolarHBondContact N-O 3Å; G50-C62 VanDerWaalsContact N-O 3.09Å; C62-S119 PolarHBondContact SG-OG 2.99Å; C62-V121 CarbonylContact C-O 3.59Å; C62-V121 VanDerWaalsContact CA-O 3.29Å; C62-V121 WeakPolarHBondContact CA-O 3.4Å
63L93.5Very high85Confident0 Ų061.3 Ų61.30%030%0.298CS..EExtended strand (participates in β ladder)trans-75.5137.8164-178.4150.9000108.5Y47 M65 F120 V121 L126 F137 I139Y47-L63 WeakPolarHBondContact O-CA 3.37Å; L63-M65 HydrophobicContact CD2-CG 3.97Å; L63-F120 HydrophobicContact CD2-CD1 3.87Å; L63-F120 WeakPolarHBondContact O-CB 3.46Å; L63-F120 PolarHBondContact O-N 3.2Å; L63-V121 HydrophobicContact CB-CG1 3.83Å; L63-V121 HydrophobicContact CD2-CG1 4.26Å; L63-V121 HydrophobicContact CG-CG1 4.48Å; L63-V121 PolarHBondContact N-O 2.88Å; L63-V121 PolarHBondContact O-N 3.29Å; L63-L126 HydrophobicContact CD1-CD2 4.22Å; L63-F137 HydrophobicContact CD1-CE2 3.71Å; L63-F137 HydrophobicContact CD1-CZ 4.04Å; L63-I139 HydrophobicContact CD1-CD1 4.34Å; L63-I139 HydrophobicContact CD1-CG1 4.08Å; L63-I139 HydrophobicContact CD2-CG1 4.46Å
64S94Very high85.2Confident0 Ų062 Ų620%030%0.299CS..EExtended strand (participates in β ladder)trans-111.6150.7176.5-39.90000111.6Y47 G50 D51 W117 R118Y47-S64 PolarHBondContact N-O 3.41Å; Y47-S64 PolarHBondContact O-N 3.06Å; G50-S64 VanDerWaalsContact CA-OG 3.31Å; G50-S64 WeakPolarHBondContact CA-OG 3.38Å; D51-S64 PolarHBondContact N-OG 3.36Å; S64-W117 CarbonylContact C-O 3.53Å; S64-W117 WeakPolarHBondContact CA-O 3.31Å; S64-W117 VanDerWaalsContact CB-O 3.31Å; S64-W117 WeakPolarHBondContact CB-O 3.32Å; S64-R118 WeakPolarHBondContact CA-O 3.33Å; S64-R118 VanDerWaalsContact CB-O 3.22Å; S64-R118 WeakPolarHBondContact CB-O 3.46Å; S64-R118 PolarHBondContact OG-O 3.37Å
65M94.3Very high85.8Confident0 Ų065.7 Ų65.70%032%0.32CS..EExtended strand (participates in β ladder)trans-136.3137.2175-81.7-16178.100111.3F14 I44 V45 L63 F80 A82 G116 W117 F120 I139F14-M65 HydrophobicContact CE2-CE 4.35Å; I44-M65 HydrophobicContact CG2-CE 3.62Å; V45-M65 CarbonylContact O-C 3.5Å; V45-M65 WeakPolarHBondContact O-CA 3.33Å; L63-M65 HydrophobicContact CD2-CG 3.97Å; M65-F80 HydrophobicContact CB-CZ 4.44Å; M65-F80 HydrophobicContact CE-CE2 4.27Å; M65-F80 HydrophobicContact CE-CZ 3.81Å; M65-A82 HydrophobicContact CE-CB 4.22Å; M65-A82 HydrophobicContact SD-CB 3.41Å; M65-A82 WeakPolarHBondContact SD-CB 3.37Å; M65-G116 CarbonylContact O-C 3.57Å; M65-G116 WeakPolarHBondContact O-CA 3.37Å; M65-W117 HydrophobicContact CB-CE3 4.29Å; M65-W117 PolarHBondContact N-O 2.8Å; M65-W117 PolarHBondContact O-N 2.95Å; M65-F120 HydrophobicContact CG-CD1 4.24Å; M65-F120 HydrophobicContact SD-CD1 4.23Å; M65-F120 HydrophobicContact SD-CE1 4.19Å; M65-I139 HydrophobicContact CE-CG2 4.05Å; M65-I139 HydrophobicContact CG-CG2 4.2Å; M65-I139 HydrophobicContact SD-CG2 3.18Å; M65-I139 WeakPolarHBondContact SD-CG2 3.49Å
66F94.7Very high86.6Confident21 Ų2158.5 Ų58.59%0.09229%0.289CS..EExtended strand (participates in β ladder)trans-137.4147178.5-67.4-93.2000111.8I44 V45 Y47 D51 L115 R118I44-F66 CarbonylContact C-O 3.59Å; I44-F66 WeakPolarHBondContact CA-O 3.4Å; V45-F66 PolarHBondContact N-O 3.39Å; V45-F66 PolarHBondContact O-N 3.02Å; Y47-F66 AromaticContact CD2-CD2 3.89Å; Y47-F66 HydrophobicContact CD2-CD2 3.89Å; Y47-F66 HydrophobicContact CD2-CE2 4.17Å; Y47-F66 AromaticContact CE2-CD2 3.7Å; Y47-F66 HydrophobicContact CE2-CD2 3.7Å; Y47-F66 HydrophobicContact CE2-CE2 4.12Å; D51-F66 HydrophobicContact CB-CE2 4.17Å; F66-L115 WeakPolarHBondContact CA-O 3.22Å; F66-R118 HydrophobicContact CE2-CG 4.41Å; F66-R118 HydrophobicContact CZ-CG 3.64Å
67L95.4Very high87.4Confident0 Ų055.4 Ų55.40%027%0.273CS..EExtended strand (participates in β ladder)trans-101.3130.6163.2179.261.9000108.3F10 W42 I44 A78 F80 F103 S114 L115 V143F10-L67 HydrophobicContact CZ-CD1 4.39Å; W42-L67 HydrophobicContact CB-CD1 4.17Å; W42-L67 HydrophobicContact CD2-CD1 4.47Å; W42-L67 HydrophobicContact CE3-CD1 3.79Å; W42-L67 HydrophobicContact CE3-CD2 3.71Å; W42-L67 HydrophobicContact CE3-CG 3.71Å; W42-L67 HydrophobicContact CZ3-CD2 3.75Å; W42-L67 HydrophobicContact CZ3-CG 4.05Å; I44-L67 HydrophobicContact CG1-CD1 4.03Å; L67-A78 HydrophobicContact CD2-CB 4.2Å; L67-F80 HydrophobicContact CB-CB 4.24Å; L67-F80 HydrophobicContact CB-CD1 3.58Å; L67-F80 HydrophobicContact CB-CD2 4.23Å; L67-F80 HydrophobicContact CB-CE1 3.88Å; L67-F80 HydrophobicContact CB-CE2 4.48Å; L67-F80 HydrophobicContact CB-CG 3.77Å; L67-F80 HydrophobicContact CB-CZ 4.32Å; L67-F80 HydrophobicContact CD2-CB 3.82Å; L67-F80 HydrophobicContact CD2-CG 4.14Å; L67-F103 HydrophobicContact CB-CE1 4.13Å; L67-F103 HydrophobicContact CB-CZ 4.12Å; L67-F103 HydrophobicContact CD2-CE1 4.29Å; L67-F103 HydrophobicContact CD2-CE2 4.07Å; L67-F103 HydrophobicContact CD2-CZ 3.78Å; L67-F103 HydrophobicContact CG-CE1 4.2Å; L67-F103 HydrophobicContact CG-CZ 4.16Å; L67-F103 WeakPolarHBondContact O-CE1 3.13Å; L67-S114 WeakPolarHBondContact O-CA 3.46Å; L67-L115 PolarHBondContact N-O 3.32Å; L67-L115 PolarHBondContact O-N 3.24Å; L67-V143 HydrophobicContact CD1-CG1 4.46Å; L67-V143 HydrophobicContact CD1-CG2 3.74Å; L67-V143 HydrophobicContact CD2-CG1 3.83Å; L67-V143 HydrophobicContact CD2-CG2 3.95Å; L67-V143 HydrophobicContact CG-CG2 4.44Å
68R93.7Very high88.3Confident72 Ų7249.9 Ų49.927%0.27224%0.243SC..EExtended strand (participates in β ladder)trans-110.6136.7172-67.2-171.3-177.2160.95.2110.2W42 R43 V45 Y47 E70 G113 S114W42-R68 WeakPolarHBondContact CA-O 3.23Å; R43-R68 HydrophobicContact CB-CB 4.38Å; R43-R68 PolarHBondContact N-O 3.31Å; R43-R68 PolarHBondContact O-N 2.95Å; V45-R68 HydrophobicContact CG2-CG 4.19Å; Y47-R68 PolarHBondContact OH-NH2 3.48Å; R68-E70 HydrophobicContact CB-CG 4.43Å; R68-G113 WeakPolarHBondContact CA-O 3.33Å; R68-S114 WeakPolarHBondContact CG-OG 3.44Å
69H93.2Very high89.3Confident3 Ų346.8 Ų46.81%0.01423%0.231CC..EExtended strand (participates in β ladder)trans-95.4112.2169.6179.7-122.2000108.1H40 W42 K74 F103 A104 G113H40-H69 AromaticContact CE1-NE2 3.91Å; H40-H69 AromaticContact CG-NE2 3.58Å; H40-H69 AromaticContact ND1-CD2 3.99Å; H40-H69 AromaticContact ND1-CE1 3.71Å; H40-H69 AromaticContact ND1-NE2 2.91Å; H40-H69 PolarHBondContact ND1-NE2 3.18Å; W42-H69 HydrophobicContact CE3-CB 4.03Å; W42-H69 HydrophobicContact CH2-CB 4.28Å; W42-H69 AromaticContact CH2-CD2 3.83Å; W42-H69 AromaticContact CZ2-CD2 3.89Å; W42-H69 HydrophobicContact CZ3-CB 3.71Å; W42-H69 AromaticContact CZ3-CD2 3.98Å; H69-K74 PolarHBondContact CE1-O 2.96Å; H69-F103 HydrophobicContact CB-CB 3.57Å; H69-F103 HydrophobicContact CB-CD1 4.36Å; H69-F103 HydrophobicContact CB-CG 4.27Å; H69-A104 PolarHBondContact ND1-O 3.02Å; H69-G113 PolarHBondContact N-O 3.37Å
70E92.1Very high90Very high22 Ų2242.7 Ų42.710%0.10321%0.213CC..  trans-99.1-6.3-170.4-65.8-72163.100112.6L41 R43 R68 K106L41-E70 HydrophobicContact CB-CB 4.12Å; L41-E70 PolarHBondContact O-N 2.99Å; R43-E70 HydrophobicContact CB-CG 3.91Å; R68-E70 HydrophobicContact CB-CG 4.43Å; E70-K106 WeakPolarHBondContact OE2-CD 3.21Å; E70-K106 VanDerWaalsContact OE2-CE 3.25Å; E70-K106 WeakPolarHBondContact OE2-CE 3.44Å; E70-K106 IonicContact OE2-NZ 3.64Å; E70-K106 PolarHBondContact OE2-NZ 3.48Å
71S89.5Confident90.6Very high15 Ų1543.9 Ų43.911%0.10522%0.215CC..  trans-77.2145.9174.1-68.60000112.8H40 L41 P105 K106H40-S71 WeakPolarHBondContact CA-OG 3.39Å; L41-S71 PolarHBondContact N-OG 2.75Å; S71-P105 CarbonylContact O-C 3.55Å; S71-P105 WeakPolarHBondContact O-CA 3.49Å; S71-P105 WeakPolarHBondContact O-CB 3.34Å; S71-K106 PolarHBondContact O-N 3.28Å
72E84.2Confident90.8Very high158 Ų15838.9 Ų38.974%0.73819%0.192SC*.SBendtrans-95.8-11.2-175.6-62.1-177.5171.200114.2P105 K106E72-P105 VanDerWaalsContact C-CB 3.42Å; E72-P105 VanDerWaalsContact O-CB 3.31Å; E72-P105 WeakPolarHBondContact O-CB 3.2Å; E72-K106 HydrophobicContact CG-CB 4.4Å
73S70.7Confident91Very high97 Ų9740.2 Ų40.268%0.67820%0.197SC*.SBendtrans-101.6-31.2-159.7560000116.5
74K84.2Confident91Very high148 Ų14840.2 Ų40.264%0.64320%0.197SC*.  trans-151.7149.3-173.7-67-172.5-179-178.40112.1H40 H69H40-K74 PolarHBondContact CE1-O 3.19Å; H69-K74 PolarHBondContact CE1-O 2.96Å
75D86.6Confident90.9Very high102 Ų10241.8 Ų41.855%0.54521%0.205SC..  trans-60.7146.8167.7-73.3-3.7000110.4V102 F103 A104 P105D75-V102 HydrophobicContact CB-CG1 3.84Å; D75-F103 WeakPolarHBondContact CA-O 3.29Å; D75-A104 WeakPolarHBondContact OD1-CA 3.23Å; D75-P105 WeakPolarHBondContact OD1-CD 3.09Å
76A89.6Confident90.6Very high5 Ų543.8 Ų43.84%0.04122%0.216CC..EExtended strand (participates in β ladder)trans-135.4128.9179.700000111.5H40 W42 V102 F103H40-A76 HydrophobicContact CB-CB 4.47Å; W42-A76 HydrophobicContact CH2-CB 3.65Å; W42-A76 HydrophobicContact CZ2-CB 3.5Å; W42-A76 VanDerWaalsContact CZ2-CB 3.5Å; A76-V102 WeakPolarHBondContact O-CA 2.79Å; A76-F103 PolarHBondContact N-O 2.9Å; A76-F103 PolarHBondContact O-N 2.88Å
77K90.8Very high90.2Very high105 Ų10547 Ų4746%0.45723%0.23SC..EExtended strand (participates in β ladder)trans-86125.9173.1-171.9176179.9-179.20109.4V102 V146K77-V102 HydrophobicContact CB-CG2 4.29Å; K77-V102 HydrophobicContact CG-CG2 4.34Å; K77-V146 HydrophobicContact CB-CB 4.08Å; K77-V146 HydrophobicContact CD-CB 4.12Å; K77-V146 HydrophobicContact CD-CG1 4.12Å; K77-V146 HydrophobicContact CD-CG2 4.48Å; K77-V146 HydrophobicContact CG-CB 3.98Å; K77-V146 HydrophobicContact CG-CG2 4.18Å; K77-V146 PolarHBondContact O-N 3.08Å
78A92.6Very high89.6Confident0 Ų054.3 Ų54.30%026%0.264CS..EExtended strand (participates in β ladder)trans-136.8147.317800000112.2W42 L67 R101 F103 V143 K144W42-A78 HydrophobicContact CH2-CB 3.53Å; W42-A78 HydrophobicContact CZ2-CB 4Å; W42-A78 HydrophobicContact CZ3-CB 4Å; L67-A78 HydrophobicContact CD2-CB 4.2Å; A78-R101 PolarHBondContact N-O 3.4Å; A78-R101 PolarHBondContact O-N 2.9Å; A78-R101 VanDerWaalsContact O-N 3.11Å; A78-F103 HydrophobicContact CB-CD2 4.15Å; A78-F103 HydrophobicContact CB-CE2 4.01Å; A78-V143 HydrophobicContact CB-CG1 4.34Å; A78-K144 CarbonylContact C-O 3.53Å; A78-K144 WeakPolarHBondContact CA-O 3.5Å
79I93.5Very high89.1Confident27 Ų2752.9 Ų52.914%0.13827%0.272CS..EExtended strand (participates in β ladder)trans-96.2122.8165.5-54.3173.9000106E81 R98 L99 V100 V143 K144 V146I79-E81 HydrophobicContact CG2-CG 4.27Å; I79-R98 HydrophobicContact CG2-CG 4.34Å; I79-L99 WeakPolarHBondContact CA-O 3.43Å; I79-V100 HydrophobicContact CB-CG2 4.48Å; I79-V100 HydrophobicContact CG1-CG1 4.18Å; I79-V100 HydrophobicContact CG1-CG2 4.04Å; I79-V100 HydrophobicContact CG2-CG2 4.21Å; I79-V143 CarbonylContact O-C 3.43Å; I79-V143 VanDerWaalsContact O-CA 3.3Å; I79-V143 WeakPolarHBondContact O-CA 3.31Å; I79-K144 HydrophobicContact CB-CB 4.28Å; I79-K144 HydrophobicContact CD1-CD 4.41Å; I79-K144 PolarHBondContact N-O 3.17Å; I79-K144 PolarHBondContact O-N 2.89Å; I79-V146 HydrophobicContact CD1-CG2 4.13Å; I79-V146 HydrophobicContact CG1-CG2 3.91Å
80F95.1Very high88.7Confident0 Ų056.7 Ų56.70%030%0.295CS..EExtended strand (participates in β ladder)trans-118.5127.3174.1176.7-139.8000109.2I44 M65 L67 R98 L99 W117 A142 V143I44-F80 HydrophobicContact CD1-CE2 4.42Å; I44-F80 HydrophobicContact CG1-CE2 4.3Å; I44-F80 HydrophobicContact CG2-CE2 4.11Å; I44-F80 HydrophobicContact CG2-CZ 3.98Å; M65-F80 HydrophobicContact CB-CZ 4.44Å; M65-F80 HydrophobicContact CE-CE2 4.27Å; M65-F80 HydrophobicContact CE-CZ 3.81Å; L67-F80 HydrophobicContact CB-CB 4.24Å; L67-F80 HydrophobicContact CB-CD1 3.58Å; L67-F80 HydrophobicContact CB-CD2 4.23Å; L67-F80 HydrophobicContact CB-CE1 3.88Å; L67-F80 HydrophobicContact CB-CE2 4.48Å; L67-F80 HydrophobicContact CB-CG 3.77Å; L67-F80 HydrophobicContact CB-CZ 4.32Å; L67-F80 HydrophobicContact CD2-CB 3.82Å; L67-F80 HydrophobicContact CD2-CG 4.14Å; F80-R98 WeakPolarHBondContact O-CA 3.43Å; F80-L99 HydrophobicContact CB-CD1 4.03Å; F80-L99 HydrophobicContact CB-CG 3.98Å; F80-L99 HydrophobicContact CD1-CD2 3.9Å; F80-L99 HydrophobicContact CD1-CG 4.23Å; F80-L99 PolarHBondContact N-O 3.01Å; F80-L99 PolarHBondContact O-N 3.25Å; F80-W117 AromaticContact CD1-CH2 3.88Å; F80-W117 HydrophobicContact CD1-CH2 3.88Å; F80-W117 AromaticContact CD1-CZ3 3.59Å; F80-W117 HydrophobicContact CD1-CZ3 3.59Å; F80-W117 HydrophobicContact CE1-CE3 4.13Å; F80-W117 HydrophobicContact CE1-CH2 4.19Å; F80-W117 AromaticContact CE1-CZ3 3.43Å; F80-W117 HydrophobicContact CE1-CZ3 3.43Å; F80-W117 VanDerWaalsContact CE1-CZ3 3.43Å; F80-W117 HydrophobicContact CG-CH2 4.35Å; F80-W117 HydrophobicContact CG-CZ3 4.34Å; F80-W117 HydrophobicContact CZ-CZ3 4.06Å; F80-W117 WeakPolarHBondContact O-CH2 3.31Å; F80-A142 WeakPolarHBondContact CA-O 3.25Å; F80-A142 WeakPolarHBondContact CD2-O 3.45Å; F80-V143 HydrophobicContact CD2-CG2 3.66Å; F80-V143 HydrophobicContact CE2-CG2 4.26Å; F80-V143 HydrophobicContact CG-CG2 4.49Å
81E94.4Very high88.3Confident39 Ų3959.3 Ų59.318%0.18231%0.312CS..EExtended strand (participates in β ladder)trans-123.2134.2177.9-66.7-178.7178.800109.7I79 F83 S97 R98 G141 A142I79-E81 HydrophobicContact CG2-CG 4.27Å; E81-F83 HydrophobicContact CB-CE2 3.53Å; E81-F83 HydrophobicContact CB-CZ 3.65Å; E81-F83 HydrophobicContact CG-CZ 4.44Å; E81-F83 VanDerWaalsContact OE2-CZ 3.26Å; E81-F83 WeakPolarHBondContact OE2-CZ 3.17Å; E81-S97 CarbonylContact C-O 3.55Å; E81-S97 VanDerWaalsContact CA-O 3.31Å; E81-S97 WeakPolarHBondContact CA-O 3.44Å; E81-R98 HydrophobicContact CG-CB 3.94Å; E81-R98 HydrophobicContact CG-CG 3.73Å; E81-R98 WeakPolarHBondContact OE1-CD 3.43Å; E81-R98 IonicContact OE1-CZ 2.67Å; E81-R98 IonicContact OE1-NE 3.22Å; E81-R98 PolarHBondContact OE1-NE 3.18Å; E81-R98 IonicContact OE1-NH1 2.64Å; E81-R98 PolarHBondContact OE1-NH1 3.48Å; E81-G141 CarbonylContact O-C 3.59Å; E81-G141 WeakPolarHBondContact O-CA 3.21Å; E81-A142 HydrophobicContact CB-CB 4.4Å; E81-A142 PolarHBondContact N-O 3.08Å; E81-A142 PolarHBondContact O-N 2.87Å
82A94.4Very high88Confident0 Ų059.2 Ų59.20%031%0.312CS..EExtended strand (participates in β ladder)trans-117.9136.6175.100000109.8M65 H96 S97 W117 F120 V140M65-A82 HydrophobicContact CE-CB 4.22Å; M65-A82 HydrophobicContact SD-CB 3.41Å; M65-A82 WeakPolarHBondContact SD-CB 3.37Å; A82-H96 WeakPolarHBondContact O-CA 3.42Å; A82-S97 PolarHBondContact N-O 2.95Å; A82-S97 PolarHBondContact O-N 3.32Å; A82-W117 HydrophobicContact CB-CE3 3.92Å; A82-W117 HydrophobicContact CB-CH2 4.12Å; A82-W117 HydrophobicContact CB-CZ3 3.4Å; A82-W117 VanDerWaalsContact CB-CZ3 3.4Å; A82-F120 HydrophobicContact CB-CD2 4.09Å; A82-F120 HydrophobicContact CB-CE1 4.17Å; A82-F120 HydrophobicContact CB-CE2 3.6Å; A82-F120 HydrophobicContact CB-CZ 3.66Å; A82-V140 CarbonylContact C-O 3.56Å; A82-V140 WeakPolarHBondContact CA-O 3.5Å
83F94Very high87.6Confident31 Ų3157 Ų5714%0.13631%0.314CS..EExtended strand (participates in β ladder)trans-133.7146.6-179.2-50.1-91.3000110.6E81 V91 H96 I139 V140 A142E81-F83 HydrophobicContact CB-CE2 3.53Å; E81-F83 HydrophobicContact CB-CZ 3.65Å; E81-F83 HydrophobicContact CG-CZ 4.44Å; E81-F83 VanDerWaalsContact OE2-CZ 3.26Å; E81-F83 WeakPolarHBondContact OE2-CZ 3.17Å; F83-V91 HydrophobicContact CB-CB 4.25Å; F83-V91 HydrophobicContact CB-CG1 4.05Å; F83-V91 HydrophobicContact CD1-CB 4.19Å; F83-V91 HydrophobicContact CG-CB 4.32Å; F83-V91 HydrophobicContact CG-CG1 4.19Å; F83-H96 HydrophobicContact CD1-CB 4.02Å; F83-H96 AromaticContact CD1-CD2 3.73Å; F83-H96 HydrophobicContact CE1-CB 4.29Å; F83-H96 AromaticContact CE1-CD2 3.26Å; F83-H96 WeakPolarHBondContact CE1-CD2 2.97Å; F83-H96 AromaticContact CE1-CG 3.97Å; F83-H96 AromaticContact CZ-CD2 3.87Å; F83-I139 CarbonylContact O-C 3.55Å; F83-I139 WeakPolarHBondContact O-CA 3.47Å; F83-V140 HydrophobicContact CB-CB 4.39Å; F83-V140 HydrophobicContact CD2-CB 4.43Å; F83-V140 PolarHBondContact N-O 3.48Å; F83-V140 PolarHBondContact O-N 3Å; F83-A142 HydrophobicContact CE2-CB 4.01Å
84V93.9Very high87.9Confident0 Ų056.2 Ų56.20%031%0.309CS..EExtended strand (participates in β ladder)trans-96.9132.9160.2-168.60000108.1S92 H95 F120 V121 L126 Y130 I139V84-S92 WeakPolarHBondContact O-CB 3.45Å; V84-S92 PolarHBondContact O-N 2.91Å; V84-H95 HydrophobicContact CB-CB 4.23Å; V84-H95 HydrophobicContact CG2-CB 3.75Å; V84-H95 PolarHBondContact N-O 2.92Å; V84-F120 HydrophobicContact CG2-CE1 3.71Å; V84-F120 HydrophobicContact CG2-CZ 4Å; V84-V121 HydrophobicContact CG2-CB 4.35Å; V84-V121 HydrophobicContact CG2-CG1 4.24Å; V84-V121 HydrophobicContact CG2-CG2 4.41Å; V84-L126 HydrophobicContact CG1-CD1 3.77Å; V84-Y130 HydrophobicContact CB-CD1 4.2Å; V84-Y130 HydrophobicContact CB-CE1 4.24Å; V84-Y130 HydrophobicContact CB-CG 4.38Å; V84-Y130 HydrophobicContact CG1-CD1 3.47Å; V84-Y130 VanDerWaalsContact CG1-CD1 3.47Å; V84-Y130 HydrophobicContact CG1-CD2 3.85Å; V84-Y130 HydrophobicContact CG1-CE1 4Å; V84-Y130 HydrophobicContact CG1-CE2 4.31Å; V84-Y130 HydrophobicContact CG1-CG 3.38Å; V84-I139 HydrophobicContact CB-CD1 4.19Å; V84-I139 HydrophobicContact CG1-CD1 3.96Å; V84-I139 HydrophobicContact CG2-CD1 3.73Å
85M91.6Very high87.9Confident32 Ų3251 Ų5116%0.15829%0.287CS..EExtended strand (participates in β ladder)trans-82.5136.3173.6-162.7175.8-81.800109.6G89 T90 Y130 V138 V140M85-G89 VanDerWaalsContact SD-CA 3.6Å; M85-T90 CarbonylContact C-O 3.58Å; M85-T90 WeakPolarHBondContact CA-O 3.41Å; M85-T90 WeakPolarHBondContact CG-O 3.47Å; M85-Y130 WeakPolarHBondContact O-CD1 3.26Å; M85-V138 HydrophobicContact CB-CB 3.91Å; M85-V138 HydrophobicContact CB-CG1 4.34Å; M85-V138 HydrophobicContact CE-CG1 4.17Å; M85-V138 PolarHBondContact N-O 3.19Å; M85-V138 HydrophobicContact SD-CB 4.15Å; M85-V138 HydrophobicContact SD-CG1 4.18Å; M85-V140 HydrophobicContact CE-CG2 3.94Å
86D89.2Confident88Confident42 Ų4249.8 Ų49.823%0.22528%0.277CS..  trans-71.6177.217163.728.2000112.2E88 G89 T90D86-E88 PolarHBondContact O-N 2.94Å; D86-E88 WeakPolarHBondContact OD1-CA 3.4Å; D86-E88 PolarHBondContact OD1-N 3.32Å; D86-E88 VanDerWaalsContact OD1-N 3.12Å; D86-G89 PolarHBondContact O-N 3.17Å; D86-G89 PolarHBondContact OD1-N 3.15Å; D86-T90 VanDerWaalsContact CG-O 3.25Å; D86-T90 PolarHBondContact N-O 2.93Å; D86-T90 WeakPolarHBondContact OD1-CA 3.49Å; D86-T90 PolarHBondContact OD1-N 3.24Å; D86-T90 WeakPolarHBondContact OD2-CB 3.48Å
87K86.5Confident88Confident90 Ų9051 Ų5139%0.39129%0.285SS..THydrogen-bonded Turntrans-70.9-18.1-175.7-62-174.4-175.6-163.40111.9R129 V131 T132K87-R129 WeakPolarHBondContact CE-O 3.41Å; K87-V131 WeakPolarHBondContact CE-O 3.2Å; K87-V131 PolarHBondContact NZ-O 3Å; K87-T132 HydrophobicContact CG-CG2 4.42Å
88E82.9Confident88.1Confident152 Ų15252.7 Ų52.771%0.7129%0.289SS*.THydrogen-bonded Turntrans-89.2-3.7178.7-61.569.5-149.900112.4D86D86-E88 PolarHBondContact O-N 2.94Å; D86-E88 WeakPolarHBondContact OD1-CA 3.4Å; D86-E88 PolarHBondContact OD1-N 3.32Å; D86-E88 VanDerWaalsContact OD1-N 3.12Å
89G81.4Confident88.1Confident43 Ų4353.6 Ų53.644%0.44329%0.294SS..SBendtrans88.611.7177.600000114.6M85 D86M85-G89 VanDerWaalsContact SD-CA 3.6Å; D86-G89 PolarHBondContact O-N 3.17Å; D86-G89 PolarHBondContact OD1-N 3.15Å
90T85.4Confident87.9Confident82 Ų8254.9 Ų54.950%0.50330%0.303SS..PPolyproline II helixtrans-99.5148.5179.2-51.40000110.8M85 D86 S92M85-T90 CarbonylContact C-O 3.58Å; M85-T90 WeakPolarHBondContact CA-O 3.41Å; M85-T90 WeakPolarHBondContact CG-O 3.47Å; D86-T90 VanDerWaalsContact CG-O 3.25Å; D86-T90 PolarHBondContact N-O 2.93Å; D86-T90 WeakPolarHBondContact OD1-CA 3.49Å; D86-T90 PolarHBondContact OD1-N 3.24Å; D86-T90 WeakPolarHBondContact OD2-CB 3.48Å; T90-S92 PolarHBondContact O-N 3.35Å
91V84.8Confident87.6Confident77 Ų7761.8 Ų61.847%0.46733%0.329SS..EExtended strand (participates in β ladder)trans-69.4124.1176-72.50000110.7F83 S93F83-V91 HydrophobicContact CB-CB 4.25Å; F83-V91 HydrophobicContact CB-CG1 4.05Å; F83-V91 HydrophobicContact CD1-CB 4.19Å; F83-V91 HydrophobicContact CG-CB 4.32Å; F83-V91 HydrophobicContact CG-CG1 4.19Å; V91-S93 PolarHBondContact O-N 2.89Å
92S82.1Confident87.4Confident13 Ų1363.6 Ų63.69%0.09134%0.342CS..EExtended strand (participates in β ladder)trans-76.3122.7-178.1-171.10000111.5V84 T90 S94 Y130V84-S92 WeakPolarHBondContact O-CB 3.45Å; V84-S92 PolarHBondContact O-N 2.91Å; T90-S92 PolarHBondContact O-N 3.35Å; S92-S94 PolarHBondContact O-N 3.45Å; S92-S94 PolarHBondContact OG-N 3.2Å; S92-Y130 PolarHBondContact OG-OH 3.47Å
93S75.6Confident87.2Confident111 Ų11163.6 Ų63.678%0.77634%0.342SS*.EExtended strand (participates in β ladder)trans-66.9-22.2173.259.10000113.2V91V91-S93 PolarHBondContact O-N 2.89Å
94S78.1Confident86.9Confident82 Ų8262.5 Ų62.557%0.57334%0.339SS*.EExtended strand (participates in β ladder)trans-79.1-28.3-175-37.10000113.7S92S92-S94 PolarHBondContact O-N 3.45Å; S92-S94 PolarHBondContact OG-N 3.2Å
95H83.6Confident86.6Confident39 Ų3963.5 Ų63.518%0.18135%0.345CS..EExtended strand (participates in β ladder)trans-125.663.9178-69.487.7000109.5V84 F120 V125 Y130V84-H95 HydrophobicContact CB-CB 4.23Å; V84-H95 HydrophobicContact CG2-CB 3.75Å; V84-H95 PolarHBondContact N-O 2.92Å; H95-F120 WeakPolarHBondContact O-CZ 2.75Å; H95-V125 VanDerWaalsContact CE1-CG1 3.45Å; H95-V125 WeakPolarHBondContact CE1-CG1 2.89Å; H95-V125 WeakPolarHBondContact NE2-CG1 3.44Å; H95-Y130 HydrophobicContact CB-CE2 4.46Å; H95-Y130 AromaticContact CE1-CE2 3.87Å; H95-Y130 AromaticContact CG-CE2 3.99Å; H95-Y130 AromaticContact ND1-CE2 3.39Å; H95-Y130 WeakPolarHBondContact ND1-CE2 3.45Å; H95-Y130 AromaticContact ND1-CZ 3.45Å; H95-Y130 PolarHBondContact ND1-OH 3.07Å
96H88.6Confident86.3Confident76 Ų7667.1 Ų67.135%0.35236%0.36SS..EExtended strand (participates in β ladder)trans-113.8143.3173.4153-105.9000109A82 F83A82-H96 WeakPolarHBondContact O-CA 3.42Å; F83-H96 HydrophobicContact CD1-CB 4.02Å; F83-H96 AromaticContact CD1-CD2 3.73Å; F83-H96 HydrophobicContact CE1-CB 4.29Å; F83-H96 AromaticContact CE1-CD2 3.26Å; F83-H96 WeakPolarHBondContact CE1-CD2 2.97Å; F83-H96 AromaticContact CE1-CG 3.97Å; F83-H96 AromaticContact CZ-CD2 3.87Å
97S90.3Very high85.8Confident30 Ų3069 Ų6921%0.2139%0.389CS..EExtended strand (participates in β ladder)trans-140140.3169.8-65.40000110.2E81 A82 W117E81-S97 CarbonylContact C-O 3.55Å; E81-S97 VanDerWaalsContact CA-O 3.31Å; E81-S97 WeakPolarHBondContact CA-O 3.44Å; A82-S97 PolarHBondContact N-O 2.95Å; A82-S97 PolarHBondContact O-N 3.32Å; S97-W117 VanDerWaalsContact CB-CZ2 3.47Å; S97-W117 WeakPolarHBondContact O-CH2 3.28Å; S97-W117 WeakPolarHBondContact O-CZ2 3.26Å
98R92.8Very high85.2Confident140 Ų14067.5 Ų67.553%0.52839%0.39SS..EExtended strand (participates in β ladder)trans-128.6135.3-178.9178.7174.8-177.5148-8.2111I79 F80 E81 W117I79-R98 HydrophobicContact CG2-CG 4.34Å; F80-R98 WeakPolarHBondContact O-CA 3.43Å; E81-R98 HydrophobicContact CG-CB 3.94Å; E81-R98 HydrophobicContact CG-CG 3.73Å; E81-R98 WeakPolarHBondContact OE1-CD 3.43Å; E81-R98 IonicContact OE1-CZ 2.67Å; E81-R98 IonicContact OE1-NE 3.22Å; E81-R98 PolarHBondContact OE1-NE 3.18Å; E81-R98 IonicContact OE1-NH1 2.64Å; E81-R98 PolarHBondContact OE1-NH1 3.48Å; R98-W117 VanDerWaalsContact C-CZ2 3.47Å
99L91.1Very high83.9Confident19 Ų1964.6 Ų64.610%0.09940%0.402CS..EExtended strand (participates in β ladder)trans-132.1145.6171.272.685.9000110.1I79 F80 R101 F103 L115 W117I79-L99 WeakPolarHBondContact CA-O 3.43Å; F80-L99 HydrophobicContact CB-CD1 4.03Å; F80-L99 HydrophobicContact CB-CG 3.98Å; F80-L99 HydrophobicContact CD1-CD2 3.9Å; F80-L99 HydrophobicContact CD1-CG 4.23Å; F80-L99 PolarHBondContact N-O 3.01Å; F80-L99 PolarHBondContact O-N 3.25Å; L99-R101 HydrophobicContact CD1-CB 4.15Å; L99-R101 HydrophobicContact CD1-CG 4.07Å; L99-F103 HydrophobicContact CD1-CE2 4.29Å; L99-F103 HydrophobicContact CD1-CZ 3.91Å; L99-L115 HydrophobicContact CD2-CD2 4.42Å; L99-W117 HydrophobicContact CB-CH2 4.45Å; L99-W117 HydrophobicContact CB-CZ2 3.86Å; L99-W117 HydrophobicContact CD2-CH2 3.87Å; L99-W117 HydrophobicContact CD2-CZ2 3.72Å; L99-W117 HydrophobicContact CD2-CZ3 4.3Å; L99-W117 HydrophobicContact CG-CH2 4.07Å; L99-W117 HydrophobicContact CG-CZ2 3.94Å
100V90.9Very high82.8Confident55 Ų5566.4 Ų66.433%0.33342%0.42SS..EExtended strand (participates in β ladder)trans-127.6114.5174.7-174.30000107.6I79I79-V100 HydrophobicContact CB-CG2 4.48Å; I79-V100 HydrophobicContact CG1-CG1 4.18Å; I79-V100 HydrophobicContact CG1-CG2 4.04Å; I79-V100 HydrophobicContact CG2-CG2 4.21Å
101R89.1Confident81.5Confident145 Ų14564.1 Ų64.155%0.54741%0.413SS..EExtended strand (participates in β ladder)trans-147.9158.4-174.1-72.8-64.6-179.8-101.38.2111.9A78 L99 F103 L115A78-R101 PolarHBondContact N-O 3.4Å; A78-R101 PolarHBondContact O-N 2.9Å; A78-R101 VanDerWaalsContact O-N 3.11Å; L99-R101 HydrophobicContact CD1-CB 4.15Å; L99-R101 HydrophobicContact CD1-CG 4.07Å; R101-F103 HydrophobicContact CB-CD2 4.47Å; R101-F103 HydrophobicContact CB-CE2 4.03Å; R101-F103 HydrophobicContact CB-CZ 4.5Å; R101-L115 HydrophobicContact CB-CD1 4.05Å; R101-L115 HydrophobicContact CG-CD1 3.92Å; R101-L115 HydrophobicContact CG-CD2 4.18Å
102V89.4Confident80.9Confident77 Ų7765.5 Ų65.547%0.46742%0.416SS..EExtended strand (participates in β ladder)trans-89.4126.2165.2-178.60000107.1D75 A76 K77D75-V102 HydrophobicContact CB-CG1 3.84Å; A76-V102 WeakPolarHBondContact O-CA 2.79Å; K77-V102 HydrophobicContact CB-CG2 4.29Å; K77-V102 HydrophobicContact CG-CG2 4.34Å
103F89.8Confident80.8Confident0 Ų065.9 Ų65.90%042%0.422CS..EExtended strand (participates in β ladder)trans-103.2128.4178.2-67.8-103.2000108.7W42 L67 H69 D75 A76 A78 L99 R101 I112 L115W42-F103 HydrophobicContact CH2-CB 4.11Å; W42-F103 AromaticContact CH2-CD2 3.96Å; W42-F103 HydrophobicContact CH2-CD2 3.96Å; W42-F103 HydrophobicContact CH2-CG 4.15Å; W42-F103 HydrophobicContact CZ3-CB 4.01Å; W42-F103 HydrophobicContact CZ3-CD1 4.24Å; W42-F103 AromaticContact CZ3-CD2 3.81Å; W42-F103 HydrophobicContact CZ3-CD2 3.81Å; W42-F103 HydrophobicContact CZ3-CE2 4.33Å; W42-F103 AromaticContact CZ3-CG 3.77Å; W42-F103 HydrophobicContact CZ3-CG 3.77Å; L67-F103 HydrophobicContact CB-CE1 4.13Å; L67-F103 HydrophobicContact CB-CZ 4.12Å; L67-F103 HydrophobicContact CD2-CE1 4.29Å; L67-F103 HydrophobicContact CD2-CE2 4.07Å; L67-F103 HydrophobicContact CD2-CZ 3.78Å; L67-F103 HydrophobicContact CG-CE1 4.2Å; L67-F103 HydrophobicContact CG-CZ 4.16Å; L67-F103 WeakPolarHBondContact O-CE1 3.13Å; H69-F103 HydrophobicContact CB-CB 3.57Å; H69-F103 HydrophobicContact CB-CD1 4.36Å; H69-F103 HydrophobicContact CB-CG 4.27Å; D75-F103 WeakPolarHBondContact CA-O 3.29Å; A76-F103 PolarHBondContact N-O 2.9Å; A76-F103 PolarHBondContact O-N 2.88Å; A78-F103 HydrophobicContact CB-CD2 4.15Å; A78-F103 HydrophobicContact CB-CE2 4.01Å; L99-F103 HydrophobicContact CD1-CE2 4.29Å; L99-F103 HydrophobicContact CD1-CZ 3.91Å; R101-F103 HydrophobicContact CB-CD2 4.47Å; R101-F103 HydrophobicContact CB-CE2 4.03Å; R101-F103 HydrophobicContact CB-CZ 4.5Å; F103-I112 WeakPolarHBondContact CA-O 3.31Å; F103-L115 HydrophobicContact CD1-CB 4.27Å; F103-L115 HydrophobicContact CE1-CB 3.42Å; F103-L115 VanDerWaalsContact CE1-CB 3.42Å; F103-L115 HydrophobicContact CZ-CB 3.82Å
104A88.1Confident81.4Confident7 Ų762.7 Ų62.76%0.05840%0.4CS..PPolyproline II helixtrans-75.8154.9178.100000111.1H69 D75 I112H69-A104 PolarHBondContact ND1-O 3.02Å; D75-A104 WeakPolarHBondContact OD1-CA 3.23Å; A104-I112 PolarHBondContact N-O 3.47Å
105P86.7Confident82Confident22 Ų2260.4 Ų60.414%0.14338%0.382CS..PPolyproline II helixtrans-60.3148.8174.221.7-30.1000111.5S71 E72 D75 G107 S108S71-P105 CarbonylContact O-C 3.55Å; S71-P105 WeakPolarHBondContact O-CA 3.49Å; S71-P105 WeakPolarHBondContact O-CB 3.34Å; E72-P105 VanDerWaalsContact C-CB 3.42Å; E72-P105 VanDerWaalsContact O-CB 3.31Å; E72-P105 WeakPolarHBondContact O-CB 3.2Å; D75-P105 WeakPolarHBondContact OD1-CD 3.09Å; P105-G107 PolarHBondContact O-N 3.48Å; P105-S108 VanDerWaalsContact O-CB 3.28Å; P105-S108 WeakPolarHBondContact O-CB 3.19Å; P105-S108 PolarHBondContact O-N 2.74Å; P105-S108 VanDerWaalsContact O-N 3.11Å
106K85.8Confident82.3Confident107 Ų10759.6 Ų59.647%0.46538%0.383SS..THydrogen-bonded Turntrans-56132.2175.6-172.6179-177.6171.10109.9E70 S71 E72 S108E70-K106 WeakPolarHBondContact OE2-CD 3.21Å; E70-K106 VanDerWaalsContact OE2-CE 3.25Å; E70-K106 WeakPolarHBondContact OE2-CE 3.44Å; E70-K106 IonicContact OE2-NZ 3.64Å; E70-K106 PolarHBondContact OE2-NZ 3.48Å; S71-K106 PolarHBondContact O-N 3.28Å; E72-K106 HydrophobicContact CG-CB 4.4Å; K106-S108 VanDerWaalsContact C-N 3.34Å
107G78.3Confident82.5Confident81 Ų8158.2 Ų58.284%0.83538%0.375SS*.THydrogen-bonded Turntrans85.4-2.9-178.900000115.3P105 G109P105-G107 PolarHBondContact O-N 3.48Å; G107-G109 PolarHBondContact O-N 2.97Å
108S74.3Confident82.4Confident59 Ų5962.3 Ų62.341%0.41339%0.386SS..  trans-68.5113.3172.9-174.70000110.9P105 K106 G110 G111P105-S108 VanDerWaalsContact O-CB 3.28Å; P105-S108 WeakPolarHBondContact O-CB 3.19Å; P105-S108 PolarHBondContact O-N 2.74Å; P105-S108 VanDerWaalsContact O-N 3.11Å; K106-S108 VanDerWaalsContact C-N 3.34Å; S108-G110 PolarHBondContact O-N 3.05Å; S108-G111 PolarHBondContact O-N 2.7Å
109G55.7Low82.3Confident92 Ų9258.3 Ų58.395%0.94838%0.379SS*.THydrogen-bonded Turntrans-66.30.9-17200000116.7G107G107-G109 PolarHBondContact O-N 2.97Å
110G58.4Low82.3Confident80 Ų8058.1 Ų58.183%0.82538%0.378SS*.THydrogen-bonded Turntrans-138.51.3177.600000114.7S108S108-G110 PolarHBondContact O-N 3.05Å
111G58Low82.3Confident35 Ų3555.6 Ų55.636%0.36136%0.363SS..SBendtrans-102.8154.2-173.300000113.6S108 G113S108-G111 PolarHBondContact O-N 2.7Å; G111-G113 PolarHBondContact O-N 3.16Å
112I72.6Confident82.5Confident105 Ų10554.3 Ų54.354%0.53836%0.361SS..  trans-87.389.3178.7-44170.8000109.6F103 A104 S114 L115F103-I112 WeakPolarHBondContact CA-O 3.31Å; A104-I112 PolarHBondContact N-O 3.47Å; I112-S114 VanDerWaalsContact C-N 3.32Å; I112-S114 WeakPolarHBondContact CG2-O 3.24Å; I112-L115 HydrophobicContact CB-CD1 3.85Å; I112-L115 HydrophobicContact CD1-CD1 4Å; I112-L115 HydrophobicContact CG2-CB 4.34Å; I112-L115 HydrophobicContact CG2-CD1 3.32Å; I112-L115 HydrophobicContact CG2-CG 3.7Å
113G79Confident82.7Confident21 Ų2151.1 Ų51.122%0.21634%0.34CS..  trans-79.5-9.1177.300000114.8R68 H69 G111R68-G113 WeakPolarHBondContact CA-O 3.33Å; H69-G113 PolarHBondContact N-O 3.37Å; G111-G113 PolarHBondContact O-N 3.16Å
114S88.9Confident82.8Confident45 Ų4554.7 Ų54.732%0.31537%0.365SS..EExtended strand (participates in β ladder)trans-143.3123-178.5-178.20000110.8L67 R68 I112L67-S114 WeakPolarHBondContact O-CA 3.46Å; R68-S114 WeakPolarHBondContact CG-OG 3.44Å; I112-S114 VanDerWaalsContact C-N 3.32Å; I112-S114 WeakPolarHBondContact CG2-O 3.24Å
115L90.8Very high83Confident34 Ų3455.9 Ų55.918%0.17837%0.372CS..EExtended strand (participates in β ladder)trans-145.8144.8-173-122.9150.4000111F66 L67 L99 R101 F103 I112F66-L115 WeakPolarHBondContact CA-O 3.22Å; L67-L115 PolarHBondContact N-O 3.32Å; L67-L115 PolarHBondContact O-N 3.24Å; L99-L115 HydrophobicContact CD2-CD2 4.42Å; R101-L115 HydrophobicContact CB-CD1 4.05Å; R101-L115 HydrophobicContact CG-CD1 3.92Å; R101-L115 HydrophobicContact CG-CD2 4.18Å; F103-L115 HydrophobicContact CD1-CB 4.27Å; F103-L115 HydrophobicContact CE1-CB 3.42Å; F103-L115 VanDerWaalsContact CE1-CB 3.42Å; F103-L115 HydrophobicContact CZ-CB 3.82Å; I112-L115 HydrophobicContact CB-CD1 3.85Å; I112-L115 HydrophobicContact CD1-CD1 4Å; I112-L115 HydrophobicContact CG2-CB 4.34Å; I112-L115 HydrophobicContact CG2-CD1 3.32Å; I112-L115 HydrophobicContact CG2-CG 3.7Å
116G90.5Very high83.2Confident21 Ų2154.9 Ų54.922%0.21637%0.365CS..EExtended strand (participates in β ladder)trans170.6-159.4-170.700000113M65M65-G116 CarbonylContact O-C 3.57Å; M65-G116 WeakPolarHBondContact O-CA 3.37Å
117W91.9Very high83.6Confident48 Ų4855 Ų5518%0.18237%0.367CS..EExtended strand (participates in β ladder)trans-116.9116.1-178.7-53.1-87000110S64 M65 F80 A82 S97 R98 L99 F120S64-W117 CarbonylContact C-O 3.53Å; S64-W117 WeakPolarHBondContact CA-O 3.31Å; S64-W117 VanDerWaalsContact CB-O 3.31Å; S64-W117 WeakPolarHBondContact CB-O 3.32Å; M65-W117 HydrophobicContact CB-CE3 4.29Å; M65-W117 PolarHBondContact N-O 2.8Å; M65-W117 PolarHBondContact O-N 2.95Å; F80-W117 AromaticContact CD1-CH2 3.88Å; F80-W117 HydrophobicContact CD1-CH2 3.88Å; F80-W117 AromaticContact CD1-CZ3 3.59Å; F80-W117 HydrophobicContact CD1-CZ3 3.59Å; F80-W117 HydrophobicContact CE1-CE3 4.13Å; F80-W117 HydrophobicContact CE1-CH2 4.19Å; F80-W117 AromaticContact CE1-CZ3 3.43Å; F80-W117 HydrophobicContact CE1-CZ3 3.43Å; F80-W117 VanDerWaalsContact CE1-CZ3 3.43Å; F80-W117 HydrophobicContact CG-CH2 4.35Å; F80-W117 HydrophobicContact CG-CZ3 4.34Å; F80-W117 HydrophobicContact CZ-CZ3 4.06Å; F80-W117 WeakPolarHBondContact O-CH2 3.31Å; A82-W117 HydrophobicContact CB-CE3 3.92Å; A82-W117 HydrophobicContact CB-CH2 4.12Å; A82-W117 HydrophobicContact CB-CZ3 3.4Å; A82-W117 VanDerWaalsContact CB-CZ3 3.4Å; S97-W117 VanDerWaalsContact CB-CZ2 3.47Å; S97-W117 WeakPolarHBondContact O-CH2 3.28Å; S97-W117 WeakPolarHBondContact O-CZ2 3.26Å; R98-W117 VanDerWaalsContact C-CZ2 3.47Å; L99-W117 HydrophobicContact CB-CH2 4.45Å; L99-W117 HydrophobicContact CB-CZ2 3.86Å; L99-W117 HydrophobicContact CD2-CH2 3.87Å; L99-W117 HydrophobicContact CD2-CZ2 3.72Å; L99-W117 HydrophobicContact CD2-CZ3 4.3Å; L99-W117 HydrophobicContact CG-CH2 4.07Å; L99-W117 HydrophobicContact CG-CZ2 3.94Å; W117-F120 HydrophobicContact CB-CB 3.96Å; W117-F120 HydrophobicContact CE3-CD2 4.5Å
118R89.1Confident84.2Confident116 Ų11655 Ų5544%0.43835%0.354SS..EExtended strand (participates in β ladder)trans-64-42.5170.3-76.6-170.4-179.7156.518.1111.6D51 H53 E54 S64 F66D51-R118 HydrophobicContact CB-CG 4.3Å; D51-R118 IonicContact OD2-CZ 3.83Å; D51-R118 IonicContact OD2-NE 3.86Å; D51-R118 PolarHBondContact OD2-NE 3.13Å; H53-R118 PolarHBondContact O-NH1 3.19Å; E54-R118 WeakPolarHBondContact OE1-CB 3.31Å; E54-R118 VanDerWaalsContact OE2-C 3.29Å; E54-R118 WeakPolarHBondContact OE2-CB 3.42Å; E54-R118 VanDerWaalsContact OE2-O 3.05Å; S64-R118 WeakPolarHBondContact CA-O 3.33Å; S64-R118 VanDerWaalsContact CB-O 3.22Å; S64-R118 WeakPolarHBondContact CB-O 3.46Å; S64-R118 PolarHBondContact OG-O 3.37Å; F66-R118 HydrophobicContact CE2-CG 4.41Å; F66-R118 HydrophobicContact CZ-CG 3.64Å
119S89.3Confident85Confident55 Ų5559.6 Ų59.639%0.38536%0.363SS..EExtended strand (participates in β ladder)trans-111.666.7177.2174.30000111.2C62C62-S119 PolarHBondContact SG-OG 2.99Å
120F91.1Very high86.8Confident15 Ų1555.8 Ų55.87%0.06632%0.32CS..EExtended strand (participates in β ladder)trans-68.5-56.3-179.5173.9-124.4000111.8L63 M65 A82 V84 H95 W117 I139L63-F120 HydrophobicContact CD2-CD1 3.87Å; L63-F120 WeakPolarHBondContact O-CB 3.46Å; L63-F120 PolarHBondContact O-N 3.2Å; M65-F120 HydrophobicContact CG-CD1 4.24Å; M65-F120 HydrophobicContact SD-CD1 4.23Å; M65-F120 HydrophobicContact SD-CE1 4.19Å; A82-F120 HydrophobicContact CB-CD2 4.09Å; A82-F120 HydrophobicContact CB-CE1 4.17Å; A82-F120 HydrophobicContact CB-CE2 3.6Å; A82-F120 HydrophobicContact CB-CZ 3.66Å; V84-F120 HydrophobicContact CG2-CE1 3.71Å; V84-F120 HydrophobicContact CG2-CZ 4Å; H95-F120 WeakPolarHBondContact O-CZ 2.75Å; W117-F120 HydrophobicContact CB-CB 3.96Å; W117-F120 HydrophobicContact CE3-CD2 4.5Å; F120-I139 HydrophobicContact CE1-CD1 4.35Å; F120-I139 HydrophobicContact CE1-CG2 4.2Å
121V92Very high88.4Confident3 Ų352.8 Ų52.82%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-139.9134.4178.161.60000110.3C62 L63 V84 L126C62-V121 CarbonylContact C-O 3.59Å; C62-V121 VanDerWaalsContact CA-O 3.29Å; C62-V121 WeakPolarHBondContact CA-O 3.4Å; L63-V121 HydrophobicContact CB-CG1 3.83Å; L63-V121 HydrophobicContact CD2-CG1 4.26Å; L63-V121 HydrophobicContact CG-CG1 4.48Å; L63-V121 PolarHBondContact N-O 2.88Å; L63-V121 PolarHBondContact O-N 3.29Å; V84-V121 HydrophobicContact CG2-CB 4.35Å; V84-V121 HydrophobicContact CG2-CG1 4.24Å; V84-V121 HydrophobicContact CG2-CG2 4.41Å; V121-L126 HydrophobicContact CG1-CD1 4.22Å; V121-L126 HydrophobicContact CG2-CB 4.41Å
122K92.5Very high90.1Very high117 Ų11752.9 Ų52.951%0.50928%0.279SS..EExtended strand (participates in β ladder)trans-66.3134.6173.7-74.3-173176.9-172.30109.8S124 V125 L126K122-S124 VanDerWaalsContact C-N 3.28Å; K122-S124 PolarHBondContact O-N 3.21Å; K122-V125 HydrophobicContact CB-CB 4.3Å; K122-V125 HydrophobicContact CB-CG2 3.97Å; K122-V125 PolarHBondContact O-N 2.96Å; K122-L126 PolarHBondContact O-N 2.9Å
123R93.3Very high90.9Very high11 Ų1155.9 Ų55.94%0.04230%0.296CS..Hα-helixtrans-60.7-35.4-179.8-71.6-176.869.282.83.8113Y18 T21 E22 P48 G60 E61 V125 L126 E127Y18-R123 PolarHBondContact OH-O 3.44Å; T21-R123 PolarHBondContact OG1-NH1 3.41Å; T21-R123 PolarHBondContact OG1-NH2 3.06Å; E22-R123 IonicContact OE1-CZ 2.72Å; E22-R123 VanDerWaalsContact OE1-CZ 3.22Å; E22-R123 IonicContact OE1-NE 3.64Å; E22-R123 PolarHBondContact OE1-NE 3.26Å; E22-R123 IonicContact OE1-NH2 2.71Å; E22-R123 PolarHBondContact OE1-NH2 3.24Å; P48-R123 PolarHBondContact O-NH1 3.27Å; G60-R123 WeakPolarHBondContact O-CD 3.48Å; E61-R123 WeakPolarHBondContact O-CB 3.19Å; E61-R123 WeakPolarHBondContact O-CG 3.31Å; E61-R123 PolarHBondContact O-N 3.32Å; R123-V125 VanDerWaalsContact C-N 3.32Å; R123-V125 PolarHBondContact O-N 3.24Å; R123-L126 WeakPolarHBondContact O-CB 3.28Å; R123-L126 PolarHBondContact O-N 3.06Å; R123-E127 WeakPolarHBondContact O-CB 3.41Å; R123-E127 PolarHBondContact O-N 3.28Å
124S92Very high91.5Very high74 Ų7459.7 Ų59.752%0.51731%0.312SS..Hα-helixtrans-65.8-33.9175.554.90000113K122 S128K122-S124 VanDerWaalsContact C-N 3.28Å; K122-S124 PolarHBondContact O-N 3.21Å; S124-S128 WeakPolarHBondContact O-CB 3.28Å; S124-S128 PolarHBondContact O-N 3.26Å; S124-S128 PolarHBondContact O-OG 3.41Å
125V92.4Very high91.7Very high33 Ų3358.4 Ų58.420%0.231%0.305CS..Hα-helixtrans-74.6-38.7174.5-178.70000110.4H95 K122 R123 S128 R129 Y130H95-V125 VanDerWaalsContact CE1-CG1 3.45Å; H95-V125 WeakPolarHBondContact CE1-CG1 2.89Å; H95-V125 WeakPolarHBondContact NE2-CG1 3.44Å; K122-V125 HydrophobicContact CB-CB 4.3Å; K122-V125 HydrophobicContact CB-CG2 3.97Å; K122-V125 PolarHBondContact O-N 2.96Å; R123-V125 VanDerWaalsContact C-N 3.32Å; R123-V125 PolarHBondContact O-N 3.24Å; V125-S128 PolarHBondContact O-OG 3.04Å; V125-R129 HydrophobicContact CG1-CG 4.46Å; V125-R129 WeakPolarHBondContact O-CB 3.31Å; V125-R129 PolarHBondContact O-N 3.04Å; V125-Y130 HydrophobicContact CG1-CE2 4.4Å
126L92.3Very high91.9Very high0 Ų060.9 Ų60.90%031%0.312CS..Hα-helixtrans-58.5-51.8175.1-168.571.5000111.3Y18 L63 V84 V121 K122 R123 Y130 V131 F137 I139Y18-L126 HydrophobicContact CD2-CD2 4.3Å; Y18-L126 HydrophobicContact CE2-CD2 4.22Å; L63-L126 HydrophobicContact CD1-CD2 4.22Å; V84-L126 HydrophobicContact CG1-CD1 3.77Å; V121-L126 HydrophobicContact CG1-CD1 4.22Å; V121-L126 HydrophobicContact CG2-CB 4.41Å; K122-L126 PolarHBondContact O-N 2.9Å; R123-L126 WeakPolarHBondContact O-CB 3.28Å; R123-L126 PolarHBondContact O-N 3.06Å; L126-Y130 HydrophobicContact CD1-CD2 4.38Å; L126-Y130 HydrophobicContact CD1-CG 4.49Å; L126-Y130 WeakPolarHBondContact O-CA 3.26Å; L126-Y130 WeakPolarHBondContact O-CB 3.44Å; L126-Y130 PolarHBondContact O-N 3.38Å; L126-V131 PolarHBondContact O-N 3.4Å; L126-F137 HydrophobicContact CD1-CB 4.42Å; L126-F137 HydrophobicContact CD1-CD2 3.96Å; L126-F137 HydrophobicContact CD1-CG 4.24Å; L126-F137 HydrophobicContact CD2-CD1 4.09Å; L126-F137 HydrophobicContact CD2-CD2 3.78Å; L126-F137 HydrophobicContact CD2-CE1 3.99Å; L126-F137 HydrophobicContact CD2-CE2 3.68Å; L126-F137 HydrophobicContact CD2-CG 3.98Å; L126-F137 HydrophobicContact CD2-CZ 3.77Å; L126-F137 HydrophobicContact CG-CD2 4.22Å; L126-F137 HydrophobicContact CG-CG 4.19Å; L126-I139 HydrophobicContact CD1-CD1 4.19Å
127E92.9Very high92.1Very high110 Ų11060 Ų6051%0.51430%0.303SS..Hα-helixtrans-59.3-50.1178.9-169.4178.9-162.300112.3Y18 R123Y18-E127 HydrophobicContact CD1-CG 4.33Å; Y18-E127 HydrophobicContact CE1-CB 4.09Å; Y18-E127 HydrophobicContact CE1-CG 3.84Å; Y18-E127 HydrophobicContact CE2-CB 3.92Å; Y18-E127 HydrophobicContact CE2-CG 4.5Å; R123-E127 WeakPolarHBondContact O-CB 3.41Å; R123-E127 PolarHBondContact O-N 3.28Å
128S91.9Very high92.2Very high80 Ų8058.9 Ų58.956%0.55930%0.301SS*.Hα-helixtrans-70-35.8-175.454.70000113.8S124 V125S124-S128 WeakPolarHBondContact O-CB 3.28Å; S124-S128 PolarHBondContact O-N 3.26Å; S124-S128 PolarHBondContact O-OG 3.41Å; V125-S128 PolarHBondContact O-OG 3.04Å
129R90.8Very high92.5Very high157 Ų15753.3 Ų53.359%0.59228%0.28SS*.Hα-helixtrans-108.3-30.8-169.5-63.3-170179.2-167.4-1.4115.3K87 V125K87-R129 WeakPolarHBondContact CE-O 3.41Å; V125-R129 HydrophobicContact CG1-CG 4.46Å; V125-R129 WeakPolarHBondContact O-CB 3.31Å; V125-R129 PolarHBondContact O-N 3.04Å
130Y93Very high92.8Very high12 Ų1251.3 Ų51.35%0.04727%0.265CS..THydrogen-bonded Turntrans-119.4-25.2-164.8-63.4-74.4000113.8V84 M85 S92 H95 V125 L126 T132V84-Y130 HydrophobicContact CB-CD1 4.2Å; V84-Y130 HydrophobicContact CB-CE1 4.24Å; V84-Y130 HydrophobicContact CB-CG 4.38Å; V84-Y130 HydrophobicContact CG1-CD1 3.47Å; V84-Y130 VanDerWaalsContact CG1-CD1 3.47Å; V84-Y130 HydrophobicContact CG1-CD2 3.85Å; V84-Y130 HydrophobicContact CG1-CE1 4Å; V84-Y130 HydrophobicContact CG1-CE2 4.31Å; V84-Y130 HydrophobicContact CG1-CG 3.38Å; M85-Y130 WeakPolarHBondContact O-CD1 3.26Å; S92-Y130 PolarHBondContact OG-OH 3.47Å; H95-Y130 HydrophobicContact CB-CE2 4.46Å; H95-Y130 AromaticContact CE1-CE2 3.87Å; H95-Y130 AromaticContact CG-CE2 3.99Å; H95-Y130 AromaticContact ND1-CE2 3.39Å; H95-Y130 WeakPolarHBondContact ND1-CE2 3.45Å; H95-Y130 AromaticContact ND1-CZ 3.45Å; H95-Y130 PolarHBondContact ND1-OH 3.07Å; V125-Y130 HydrophobicContact CG1-CE2 4.4Å; L126-Y130 HydrophobicContact CD1-CD2 4.38Å; L126-Y130 HydrophobicContact CD1-CG 4.49Å; L126-Y130 WeakPolarHBondContact O-CA 3.26Å; L126-Y130 WeakPolarHBondContact O-CB 3.44Å; L126-Y130 PolarHBondContact O-N 3.38Å; Y130-T132 PolarHBondContact O-N 3.03Å
131V92.9Very high92.9Very high17 Ų1750.6 Ų50.610%0.10326%0.262CS..  trans-67123.7174.3177.80000109.4Y18 K87 L126 W136 F137Y18-V131 HydrophobicContact CD2-CG2 3.57Å; Y18-V131 HydrophobicContact CE2-CG2 4.34Å; Y18-V131 HydrophobicContact CG-CG2 3.84Å; K87-V131 WeakPolarHBondContact CE-O 3.2Å; K87-V131 PolarHBondContact NZ-O 3Å; L126-V131 PolarHBondContact O-N 3.4Å; V131-W136 WeakPolarHBondContact CA-O 3.22Å; V131-F137 HydrophobicContact CG2-CB 4.13Å; V131-F137 HydrophobicContact CG2-CD1 4.13Å; V131-F137 HydrophobicContact CG2-CG 4.49Å
132T92.7Very high93Very high37 Ų3751.4 Ų51.423%0.22727%0.269CS..  trans-71.6164.5176.250.70000110.9K87 Y130 D134 G135 W136K87-T132 HydrophobicContact CG-CG2 4.42Å; Y130-T132 PolarHBondContact O-N 3.03Å; T132-D134 WeakPolarHBondContact CB-OD1 3.42Å; T132-D134 PolarHBondContact O-N 3.08Å; T132-D134 PolarHBondContact OG1-OD1 3.47Å; T132-G135 WeakPolarHBondContact O-CA 3.46Å; T132-G135 PolarHBondContact O-N 2.66Å; T132-W136 PolarHBondContact N-O 2.88Å; T132-W136 WeakPolarHBondContact OG1-CA 3.02Å; T132-W136 PolarHBondContact OG1-N 3.41Å; T132-W136 VanDerWaalsContact OG1-N 3.13Å; T132-W136 PolarHBondContact OG1-O 2.99Å
133N90.1Very high93.1Very high167 Ų16746 Ų4689%0.89325%0.246SC*.THydrogen-bonded Turntrans-64.3-23.7-175.9-65.1-17.3000113G135N133-G135 VanDerWaalsContact C-N 3.25Å
134D91.3Very high93.1Very high102 Ų10250.7 Ų50.755%0.54527%0.267SS..THydrogen-bonded Turntrans-84.16.8172.754.9-42000113.3T132 W136T132-D134 WeakPolarHBondContact CB-OD1 3.42Å; T132-D134 PolarHBondContact O-N 3.08Å; T132-D134 PolarHBondContact OG1-OD1 3.47Å; D134-W136 VanDerWaalsContact OD2-CD1 3.25Å
135G93.2Very high93.1Very high17 Ų1747.4 Ų47.418%0.17524%0.244CC..SBendtrans85.17.6171.900000114.9N17 Y18 T132 N133N17-G135 CarbonylContact C-O 3.54Å; N17-G135 WeakPolarHBondContact CA-O 3.29Å; Y18-G135 PolarHBondContact N-O 2.64Å; T132-G135 WeakPolarHBondContact O-CA 3.46Å; T132-G135 PolarHBondContact O-N 2.66Å; N133-G135 VanDerWaalsContact C-N 3.25Å
136W94.8Very high92.8Very high87 Ų8748.2 Ų48.233%0.3325%0.248SC..EExtended strand (participates in β ladder)trans-98.1149.1-177.1-65.187.2000112.6K15 L16 N17 V131 T132 D134K15-W136 HydrophobicContact CD-CE3 4.41Å; K15-W136 HydrophobicContact CG-CD2 4.37Å; K15-W136 HydrophobicContact CG-CE3 3.63Å; K15-W136 HydrophobicContact CG-CZ3 4.2Å; L16-W136 WeakPolarHBondContact O-CA 3.39Å; N17-W136 HydrophobicContact CB-CD2 4.04Å; N17-W136 HydrophobicContact CB-CE3 4Å; N17-W136 HydrophobicContact CB-CH2 3.93Å; N17-W136 HydrophobicContact CB-CZ2 3.97Å; N17-W136 HydrophobicContact CB-CZ3 3.95Å; N17-W136 VanDerWaalsContact N-CZ3 3.34Å; V131-W136 WeakPolarHBondContact CA-O 3.22Å; T132-W136 PolarHBondContact N-O 2.88Å; T132-W136 WeakPolarHBondContact OG1-CA 3.02Å; T132-W136 PolarHBondContact OG1-N 3.41Å; T132-W136 VanDerWaalsContact OG1-N 3.13Å; T132-W136 PolarHBondContact OG1-O 2.99Å; D134-W136 VanDerWaalsContact OD2-CD1 3.25Å
137F94.4Very high91.9Very high3 Ų352.7 Ų52.71%0.01327%0.269CS..EExtended strand (participates in β ladder)trans-134.4156.5165.367-86000109.9L16 Y18 T21 L63 L126 V131 I139L16-F137 HydrophobicContact CB-CD1 4.48Å; L16-F137 HydrophobicContact CB-CE1 3.83Å; L16-F137 HydrophobicContact CB-CE2 4.15Å; L16-F137 HydrophobicContact CB-CZ 3.65Å; L16-F137 HydrophobicContact CD1-CE2 4.09Å; L16-F137 HydrophobicContact CD1-CZ 3.83Å; L16-F137 HydrophobicContact CG-CZ 4.33Å; L16-F137 PolarHBondContact N-O 2.86Å; L16-F137 WeakPolarHBondContact O-CD1 3.19Å; L16-F137 PolarHBondContact O-N 2.96Å; Y18-F137 HydrophobicContact CD2-CD1 4.15Å; Y18-F137 HydrophobicContact CD2-CE1 4.07Å; T21-F137 HydrophobicContact CG2-CE1 4.11Å; T21-F137 HydrophobicContact CG2-CZ 4.21Å; L63-F137 HydrophobicContact CD1-CE2 3.71Å; L63-F137 HydrophobicContact CD1-CZ 4.04Å; L126-F137 HydrophobicContact CD1-CB 4.42Å; L126-F137 HydrophobicContact CD1-CD2 3.96Å; L126-F137 HydrophobicContact CD1-CG 4.24Å; L126-F137 HydrophobicContact CD2-CD1 4.09Å; L126-F137 HydrophobicContact CD2-CD2 3.78Å; L126-F137 HydrophobicContact CD2-CE1 3.99Å; L126-F137 HydrophobicContact CD2-CE2 3.68Å; L126-F137 HydrophobicContact CD2-CG 3.98Å; L126-F137 HydrophobicContact CD2-CZ 3.77Å; L126-F137 HydrophobicContact CG-CD2 4.22Å; L126-F137 HydrophobicContact CG-CG 4.19Å; V131-F137 HydrophobicContact CG2-CB 4.13Å; V131-F137 HydrophobicContact CG2-CD1 4.13Å; V131-F137 HydrophobicContact CG2-CG 4.49Å; F137-I139 HydrophobicContact CD2-CD1 3.96Å; F137-I139 HydrophobicContact CD2-CG1 3.76Å; F137-I139 HydrophobicContact CE2-CD1 4.12Å; F137-I139 HydrophobicContact CE2-CG1 3.63Å
138V95.1Very high90.5Very high23 Ų2357 Ų5714%0.13929%0.289CS..EExtended strand (participates in β ladder)trans-122.3127.4-180-1770000110.1Q13 F14 K15 M85 V140Q13-V138 HydrophobicContact CB-CG1 4.2Å; F14-V138 WeakPolarHBondContact O-CA 3.29Å; K15-V138 HydrophobicContact CB-CG2 4.11Å; K15-V138 HydrophobicContact CD-CG2 4.43Å; K15-V138 HydrophobicContact CG-CG2 4.03Å; M85-V138 HydrophobicContact CB-CB 3.91Å; M85-V138 HydrophobicContact CB-CG1 4.34Å; M85-V138 HydrophobicContact CE-CG1 4.17Å; M85-V138 PolarHBondContact N-O 3.19Å; M85-V138 HydrophobicContact SD-CB 4.15Å; M85-V138 HydrophobicContact SD-CG1 4.18Å; V138-V140 HydrophobicContact CG1-CG2 4.17Å
139I94.6Very high88.3Confident0 Ų061.5 Ų61.50%030%0.302CS..EExtended strand (participates in β ladder)trans-112.1132.1171.8-54.3-65.1000108.2Q13 F14 L63 M65 F83 V84 F120 L126 F137Q13-I139 CarbonylContact C-O 3.54Å; Q13-I139 WeakPolarHBondContact CA-O 3.42Å; F14-I139 HydrophobicContact CB-CB 4.44Å; F14-I139 PolarHBondContact N-O 3.28Å; F14-I139 PolarHBondContact O-N 3.01Å; L63-I139 HydrophobicContact CD1-CD1 4.34Å; L63-I139 HydrophobicContact CD1-CG1 4.08Å; L63-I139 HydrophobicContact CD2-CG1 4.46Å; M65-I139 HydrophobicContact CE-CG2 4.05Å; M65-I139 HydrophobicContact CG-CG2 4.2Å; M65-I139 HydrophobicContact SD-CG2 3.18Å; M65-I139 WeakPolarHBondContact SD-CG2 3.49Å; F83-I139 CarbonylContact O-C 3.55Å; F83-I139 WeakPolarHBondContact O-CA 3.47Å; V84-I139 HydrophobicContact CB-CD1 4.19Å; V84-I139 HydrophobicContact CG1-CD1 3.96Å; V84-I139 HydrophobicContact CG2-CD1 3.73Å; F120-I139 HydrophobicContact CE1-CD1 4.35Å; F120-I139 HydrophobicContact CE1-CG2 4.2Å; L126-I139 HydrophobicContact CD1-CD1 4.19Å; F137-I139 HydrophobicContact CD2-CD1 3.96Å; F137-I139 HydrophobicContact CD2-CG1 3.76Å; F137-I139 HydrophobicContact CE2-CD1 4.12Å; F137-I139 HydrophobicContact CE2-CG1 3.63Å
140V94.7Very high86.1Confident12 Ų1260.3 Ų60.37%0.07331%0.307CS..EExtended strand (participates in β ladder)trans-114.6125.6-179.9-1730000109.1H12 Q13 A82 F83 M85 V138H12-V140 WeakPolarHBondContact O-CA 3.41Å; Q13-V140 HydrophobicContact CG-CG1 4.3Å; Q13-V140 HydrophobicContact CG-CG2 4.03Å; A82-V140 CarbonylContact C-O 3.56Å; A82-V140 WeakPolarHBondContact CA-O 3.5Å; F83-V140 HydrophobicContact CB-CB 4.39Å; F83-V140 HydrophobicContact CD2-CB 4.43Å; F83-V140 PolarHBondContact N-O 3.48Å; F83-V140 PolarHBondContact O-N 3Å; M85-V140 HydrophobicContact CE-CG2 3.94Å; V138-V140 HydrophobicContact CG1-CG2 4.17Å
141G94.5Very high84Confident0 Ų064.2 Ų64.20%033%0.334CS..EExtended strand (participates in β ladder)trans-103.2123.5165.800000109.9T11 H12 E81T11-G141 CarbonylContact C-O 3.59Å; T11-G141 VanDerWaalsContact CA-O 3.27Å; T11-G141 WeakPolarHBondContact CA-O 3.42Å; H12-G141 PolarHBondContact N-O 2.97Å; H12-G141 PolarHBondContact O-N 3.08Å; E81-G141 CarbonylContact O-C 3.59Å; E81-G141 WeakPolarHBondContact O-CA 3.21Å
142A94.7Very high81.8Confident21 Ų2171 Ų7117%0.17437%0.368CS..EExtended strand (participates in β ladder)trans-112.9133.9174.200000109.8T11 F80 E81 F83T11-A142 HydrophobicContact CG2-CB 3.8Å; F80-A142 WeakPolarHBondContact CA-O 3.25Å; F80-A142 WeakPolarHBondContact CD2-O 3.45Å; E81-A142 HydrophobicContact CB-CB 4.4Å; E81-A142 PolarHBondContact N-O 3.08Å; E81-A142 PolarHBondContact O-N 2.87Å; F83-A142 HydrophobicContact CE2-CB 4.01Å
143V94.6Very high79.8Confident4 Ų476.6 Ų76.62%0.02440%0.397CS..EExtended strand (participates in β ladder)trans-128.7131.8-177.5-179.90000109.1C9 F10 I44 L67 A78 I79 F80 V145C9-V143 CarbonylContact C-O 3.57Å; C9-V143 VanDerWaalsContact CA-O 3.23Å; C9-V143 WeakPolarHBondContact CA-O 3.46Å; F10-V143 HydrophobicContact CD1-CB 3.84Å; F10-V143 HydrophobicContact CD1-CG1 4.18Å; F10-V143 HydrophobicContact CD2-CB 4.42Å; F10-V143 HydrophobicContact CE1-CB 3.39Å; F10-V143 HydrophobicContact CE1-CG1 3.45Å; F10-V143 VanDerWaalsContact CE1-CG1 3.45Å; F10-V143 HydrophobicContact CE1-CG2 4Å; F10-V143 HydrophobicContact CE2-CB 4.01Å; F10-V143 HydrophobicContact CE2-CG2 3.86Å; F10-V143 HydrophobicContact CG-CB 4.36Å; F10-V143 HydrophobicContact CZ-CB 3.47Å; F10-V143 VanDerWaalsContact CZ-CB 3.47Å; F10-V143 HydrophobicContact CZ-CG1 3.79Å; F10-V143 HydrophobicContact CZ-CG2 3.51Å; F10-V143 PolarHBondContact N-O 3.47Å; F10-V143 PolarHBondContact O-N 3.1Å; I44-V143 HydrophobicContact CD1-CG2 3.96Å; I44-V143 HydrophobicContact CG1-CG2 4.18Å; L67-V143 HydrophobicContact CD1-CG1 4.46Å; L67-V143 HydrophobicContact CD1-CG2 3.74Å; L67-V143 HydrophobicContact CD2-CG1 3.83Å; L67-V143 HydrophobicContact CD2-CG2 3.95Å; L67-V143 HydrophobicContact CG-CG2 4.44Å; A78-V143 HydrophobicContact CB-CG1 4.34Å; I79-V143 CarbonylContact O-C 3.43Å; I79-V143 VanDerWaalsContact O-CA 3.3Å; I79-V143 WeakPolarHBondContact O-CA 3.31Å; F80-V143 HydrophobicContact CD2-CG2 3.66Å; F80-V143 HydrophobicContact CE2-CG2 4.26Å; F80-V143 HydrophobicContact CG-CG2 4.49Å; V143-V145 HydrophobicContact CG1-CG2 4.48Å
144K92.9Very high78Confident109 Ų10975.2 Ų75.247%0.47439%0.389SS..EExtended strand (participates in β ladder)trans-121.6113.5168.3173169.4-175.8178.40109S8 C9 A78 I79S8-K144 CarbonylContact O-C 3.57Å; S8-K144 WeakPolarHBondContact O-CA 3.42Å; C9-K144 VanDerWaalsContact SG-CG 3.51Å; A78-K144 CarbonylContact C-O 3.53Å; A78-K144 WeakPolarHBondContact CA-O 3.5Å; I79-K144 HydrophobicContact CB-CB 4.28Å; I79-K144 HydrophobicContact CD1-CD 4.41Å; I79-K144 PolarHBondContact N-O 3.17Å; I79-K144 PolarHBondContact O-N 2.89Å
145V91.4Very high76.3Confident5 Ų575 Ų753%0.0339%0.393CS..EExtended strand (participates in β ladder)trans-75.4123.2171.6-172.70000108S8 A37 W42 V143 Q147S8-V145 PolarHBondContact O-N 3.45Å; A37-V145 HydrophobicContact CB-CG2 3.81Å; W42-V145 HydrophobicContact CZ2-CG1 4.23Å; W42-V145 HydrophobicContact CZ2-CG2 3.88Å; W42-V145 VanDerWaalsContact NE1-CG2 3.31Å; V143-V145 HydrophobicContact CG1-CG2 4.48Å; V145-Q147 PolarHBondContact O-N 3.3Å
146V86.4Confident74.5Confident49 Ų4979.7 Ų79.730%0.29742%0.42SS..EExtended strand (participates in β ladder)trans-86.297177.2-175.50000106.5K77 I79K77-V146 HydrophobicContact CB-CB 4.08Å; K77-V146 HydrophobicContact CD-CB 4.12Å; K77-V146 HydrophobicContact CD-CG1 4.12Å; K77-V146 HydrophobicContact CD-CG2 4.48Å; K77-V146 HydrophobicContact CG-CB 3.98Å; K77-V146 HydrophobicContact CG-CG2 4.18Å; K77-V146 PolarHBondContact O-N 3.08Å; I79-V146 HydrophobicContact CD1-CG2 4.13Å; I79-V146 HydrophobicContact CG1-CG2 3.91Å
147Q74.1Confident72.7Confident94 Ų9480.8 Ų80.844%0.43944%0.441SS..  trans-69.1141168.4-62.2-177.428.800108.1V145 E149V145-Q147 PolarHBondContact O-N 3.3Å; Q147-E149 PolarHBondContact O-N 3.06Å
148E62Low70.9Confident201 Ų20186.4 Ų86.494%0.93947%0.471SS*.SBendtrans-71.751.2173.4-80-172.6151.100111.3
149E46.7Very low70Confident175 Ų17589.6 Ų89.682%0.81849%0.488SS*.  trans-146.490173-69.8-165.6174.200110.1Q147Q147-E149 PolarHBondContact O-N 3.06Å
150D45.1Very low69.7Low132 Ų13295.1 Ų95.171%0.70652%0.516SS*.  166.3106.4119-167.29.6000106.8L152D150-L152 VanDerWaalsContact C-N 3.27Å; D150-L152 PolarHBondContact O-N 3.04Å
151P47.6Very low69.3Low94 Ų9494.9 Ų94.961%0.6152%0.516SS*.  trans-72.988.3-179.730.7-30.4000108.1D153P151-D153 PolarHBondContact O-N 3.47Å
152L47.4Very low68.9Low158 Ų15897.7 Ų97.783%0.82754%0.535SS*.THydrogen-bonded Turntrans1394.6161.3-73.7168.6000112.6D150 L154D150-L152 VanDerWaalsContact C-N 3.27Å; D150-L152 PolarHBondContact O-N 3.04Å; L152-L154 PolarHBondContact O-N 3.02Å
153D50.8Low68.6Low156 Ų156100.6 Ų100.683%0.83455%0.545SS*.THydrogen-bonded Turntrans2.876.5170.6-78.2-38.1000112.4P151 P155P151-D153 PolarHBondContact O-N 3.47Å; D153-P155 WeakPolarHBondContact O-CD 3.11Å; D153-P155 VanDerWaalsContact O-N 3.09Å
154L51.6Low68.6Low138 Ų138102.9 Ų102.972%0.72356%0.557SS**PPolyproline II helixtrans-61.7121.4176.6-78166.3000104.3L152L152-L154 PolarHBondContact O-N 3.02Å
155P55.4Low68.5Low98 Ų9898.5 Ų98.564%0.63654%0.543SS*.PPolyproline II helixtrans-51139.4173.321.1-30.8000107D153 S157D153-P155 WeakPolarHBondContact O-CD 3.11Å; D153-P155 VanDerWaalsContact O-N 3.09Å; P155-S157 PolarHBondContact O-N 3.32Å; P155-S157 VanDerWaalsContact O-N 3.14Å
156P56Low68.5Low114 Ų114103.5 Ų103.574%0.7457%0.569SS**SBendtrans-46.4129.4-172.318.9-31.9000108N158P156-N158 PolarHBondContact O-N 3.43Å; P156-N158 PolarHBondContact O-OD1 3.25Å
157S56Low68.9Low110 Ų110104.2 Ų104.277%0.76957%0.571SS**  trans-45115.8-168.865.50000109P155 N159P155-S157 PolarHBondContact O-N 3.32Å; P155-S157 VanDerWaalsContact O-N 3.14Å; S157-N159 PolarHBondContact O-N 2.9Å
158N57.6Low69.9Low121 Ų121101.7 Ų101.765%0.64756%0.56SS**  trans-64.690.5174.5-86.110.6000106.5P156 I160P156-N158 PolarHBondContact O-N 3.43Å; P156-N158 PolarHBondContact O-OD1 3.25Å; N158-I160 PolarHBondContact O-N 3.03Å
159N75.8Confident71.3Confident91 Ų91101.7 Ų101.749%0.48755%0.553SS.*  trans-61.6104.2-175.4-179.1-10.7000106.5S157 G161 S162 H163S157-N159 PolarHBondContact O-N 2.9Å; N159-G161 PolarHBondContact O-N 3.47Å; N159-G161 WeakPolarHBondContact OD1-CA 3.05Å; N159-G161 PolarHBondContact OD1-N 3.27Å; N159-S162 PolarHBondContact O-N 3.39Å; N159-S162 PolarHBondContact O-OG 3.01Å; N159-H163 PolarHBondContact O-N 2.83Å
160I87.5Confident73.5Confident116 Ų11696.7 Ų96.760%0.59554%0.537SS*.Hα-helixtrans-51.4-30.4179.3-174.160.7000111.1N158 H163 L164N158-I160 PolarHBondContact O-N 3.03Å; I160-H163 PolarHBondContact O-N 3.19Å; I160-L164 HydrophobicContact CD1-CG 4.46Å; I160-L164 HydrophobicContact CG1-CD1 4.2Å; I160-L164 HydrophobicContact CG1-CG 4.34Å; I160-L164 WeakPolarHBondContact O-CB 3.14Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 3.49Å
161G88.1Confident75.8Confident6 Ų692.1 Ų92.16%0.06252%0.518CS..Hα-helixtrans-60.6-40.417300000113.8N159 G165 T235N159-G161 PolarHBondContact O-N 3.47Å; N159-G161 WeakPolarHBondContact OD1-CA 3.05Å; N159-G161 PolarHBondContact OD1-N 3.27Å; G161-G165 PolarHBondContact O-N 3.28Å; G161-T235 WeakPolarHBondContact O-CG2 3.47Å
162S85.6Confident77.9Confident59 Ų5990.2 Ų90.241%0.41351%0.51SS..Hα-helixtrans-69.5-39.7176.867.60000111.6N159 G165 L166N159-S162 PolarHBondContact O-N 3.39Å; N159-S162 PolarHBondContact O-OG 3.01Å; S162-G165 PolarHBondContact O-N 2.62Å; S162-L166 WeakPolarHBondContact O-CG 3.45Å; S162-L166 PolarHBondContact O-N 3.49Å
163H88.6Confident80Confident83 Ų8385.9 Ų85.938%0.38450%0.504SS..Hα-helixtrans-64.7-41.6176.2-63.8173.7000112.4N159 I160 L166 L167N159-H163 PolarHBondContact O-N 2.83Å; I160-H163 PolarHBondContact O-N 3.19Å; H163-L166 WeakPolarHBondContact O-CB 3.4Å; H163-L166 PolarHBondContact O-N 3.23Å; H163-L167 PolarHBondContact O-N 3.02Å
164L93.4Very high82.1Confident51 Ų5180.6 Ų80.627%0.26748%0.479SS..Hα-helixtrans-67.4-38.1172.7-70.8179.2000111.1I160 L166 L167 L168 Y234I160-L164 HydrophobicContact CD1-CG 4.46Å; I160-L164 HydrophobicContact CG1-CD1 4.2Å; I160-L164 HydrophobicContact CG1-CG 4.34Å; I160-L164 WeakPolarHBondContact O-CB 3.14Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 3.49Å; L164-L166 VanDerWaalsContact C-N 3.25Å; L164-L166 PolarHBondContact O-N 2.89Å; L164-L167 HydrophobicContact CD2-CD1 3.89Å; L164-L167 WeakPolarHBondContact O-CB 3.25Å; L164-L167 PolarHBondContact O-N 3.32Å; L164-L168 PolarHBondContact O-N 3.11Å; L164-Y234 HydrophobicContact CB-CD1 4.15Å; L164-Y234 VanDerWaalsContact CB-O 3.3Å; L164-Y234 WeakPolarHBondContact CB-O 3.44Å; L164-Y234 WeakPolarHBondContact O-CD1 3.36Å
165G92.1Very high84.1Confident18 Ų1877.5 Ų77.519%0.18646%0.463CS..Hα-helixtrans-55.6-39.1172.300000113G161 S162 L167 L168 Y169G161-G165 PolarHBondContact O-N 3.28Å; S162-G165 PolarHBondContact O-N 2.62Å; G165-L167 VanDerWaalsContact C-N 3.32Å; G165-L167 PolarHBondContact O-N 3.45Å; G165-L168 WeakPolarHBondContact O-CB 3.49Å; G165-L168 PolarHBondContact O-N 3.11Å; G165-Y169 PolarHBondContact O-N 2.83Å
166L91.5Very high85.9Confident110 Ų11072.9 Ų72.958%0.57643%0.433SS*.Hα-helixtrans-64.5-32.6174.3-69.1170.9000113S162 H163 L164 Y169 S170S162-L166 WeakPolarHBondContact O-CG 3.45Å; S162-L166 PolarHBondContact O-N 3.49Å; H163-L166 WeakPolarHBondContact O-CB 3.4Å; H163-L166 PolarHBondContact O-N 3.23Å; L164-L166 VanDerWaalsContact C-N 3.25Å; L164-L166 PolarHBondContact O-N 2.89Å; L166-Y169 PolarHBondContact O-N 2.85Å; L166-S170 WeakPolarHBondContact O-CB 3.39Å; L166-S170 PolarHBondContact O-N 2.92Å; L166-S170 PolarHBondContact O-OG 3.45Å
167L93.6Very high87.8Confident64 Ų6469 Ų6934%0.33541%0.408SS..Hα-helixtrans-66.1-39.5173-70174.4000111.6H163 L164 G165 A171 H188H163-L167 PolarHBondContact O-N 3.02Å; L164-L167 HydrophobicContact CD2-CD1 3.89Å; L164-L167 WeakPolarHBondContact O-CB 3.25Å; L164-L167 PolarHBondContact O-N 3.32Å; G165-L167 VanDerWaalsContact C-N 3.32Å; G165-L167 PolarHBondContact O-N 3.45Å; L167-A171 WeakPolarHBondContact O-CA 3.47Å; L167-A171 PolarHBondContact O-N 2.98Å; L167-H188 PolarHBondContact O-CE1 3.28Å
168L94.5Very high89.6Confident40 Ų4063.8 Ų63.821%0.20937%0.371CS..Hα-helixtrans-63.1-46.5174.8179.161.8000111L164 G165 L230 Y234L164-L168 PolarHBondContact O-N 3.11Å; G165-L168 WeakPolarHBondContact O-CB 3.49Å; G165-L168 PolarHBondContact O-N 3.11Å; L168-L230 HydrophobicContact CD1-CD2 4.04Å; L168-L230 HydrophobicContact CD2-CB 4.25Å; L168-Y234 HydrophobicContact CB-CD1 3.9Å; L168-Y234 HydrophobicContact CB-CD2 4Å; L168-Y234 HydrophobicContact CB-CE1 4.12Å; L168-Y234 HydrophobicContact CB-CE2 4.23Å; L168-Y234 HydrophobicContact CB-CG 3.84Å; L168-Y234 HydrophobicContact CD1-CD2 4.13Å; L168-Y234 HydrophobicContact CD1-CE2 3.81Å; L168-Y234 HydrophobicContact CD2-CD2 3.8Å; L168-Y234 HydrophobicContact CD2-CE2 4.34Å; L168-Y234 HydrophobicContact CD2-CG 4.17Å; L168-Y234 HydrophobicContact CG-CD2 4.19Å; L168-Y234 HydrophobicContact CG-CE2 4.35Å; L168-Y234 HydrophobicContact CG-CG 4.48Å
169Y92.2Very high91.4Very high202 Ų20260.1 Ų60.179%0.79235%0.353SS*.Hα-helixtrans-64.8-47-179.8177.8-98.8000113G165 L166 A171G165-Y169 PolarHBondContact O-N 2.83Å; L166-Y169 PolarHBondContact O-N 2.85Å; Y169-A171 VanDerWaalsContact C-N 3.3Å; Y169-A171 PolarHBondContact O-N 3.48Å
170S93Very high92.3Very high69 Ų6955.8 Ų55.848%0.48333%0.33SS..Hα-helixtrans-76.6-15.2-177.960.70000114.1L166 A172L166-S170 WeakPolarHBondContact O-CB 3.39Å; L166-S170 PolarHBondContact O-N 2.92Å; L166-S170 PolarHBondContact O-OG 3.45Å; S170-A172 PolarHBondContact O-N 3.21Å; S170-A172 WeakPolarHBondContact OG-CB 3.49Å; S170-A172 PolarHBondContact OG-N 3.11Å
171A92.5Very high92.5Very high36 Ų3655.9 Ų55.930%0.29833%0.331SS..  trans52.917-169.300000114.3L167 Y169 G173 S174 A186L167-A171 WeakPolarHBondContact O-CA 3.47Å; L167-A171 PolarHBondContact O-N 2.98Å; Y169-A171 VanDerWaalsContact C-N 3.3Å; Y169-A171 PolarHBondContact O-N 3.48Å; A171-G173 PolarHBondContact O-N 2.97Å; A171-G173 VanDerWaalsContact O-N 3.14Å; A171-S174 WeakPolarHBondContact O-CB 3.42Å; A171-S174 PolarHBondContact O-N 3.22Å; A171-S174 VanDerWaalsContact O-N 3.17Å; A171-S174 PolarHBondContact O-OG 3.38Å; A171-A186 HydrophobicContact CB-CB 3.86Å
172A92.6Very high92.7Very high54 Ų5458.7 Ų58.745%0.44636%0.361SS..THydrogen-bonded Turntrans-68.2114.1-175.200000110.8S170 H188S170-A172 PolarHBondContact O-N 3.21Å; S170-A172 WeakPolarHBondContact OG-CB 3.49Å; S170-A172 PolarHBondContact OG-N 3.11Å; A172-H188 PolarHBondContact O-NE2 3.42Å
173G92.3Very high93.1Very high68 Ų6859.9 Ų59.970%0.70136%0.36SS*.THydrogen-bonded Turntrans82.714.5-178.900000114.5A171 D175 H188A171-G173 PolarHBondContact O-N 2.97Å; A171-G173 VanDerWaalsContact O-N 3.14Å; G173-D175 PolarHBondContact O-N 2.94Å; G173-H188 PolarHBondContact O-CD2 3.09Å
174S94.4Very high93.4Very high45 Ų4564.6 Ų64.632%0.31537%0.374SS..  trans-60.4130.4174.965.50000111.3A171 A187 H188A171-S174 WeakPolarHBondContact O-CB 3.42Å; A171-S174 PolarHBondContact O-N 3.22Å; A171-S174 VanDerWaalsContact O-N 3.17Å; A171-S174 PolarHBondContact O-OG 3.38Å; S174-A187 CarbonylContact C-O 3.55Å; S174-A187 VanDerWaalsContact CA-O 3.24Å; S174-A187 WeakPolarHBondContact CA-O 3.47Å; S174-A187 VanDerWaalsContact CB-O 3.26Å; S174-A187 WeakPolarHBondContact CB-O 3.3Å; S174-H188 PolarHBondContact N-NE2 3.11Å
175D92.9Very high93.5Very high72 Ų7263.2 Ų63.239%0.38537%0.366SS..  trans-117.34.2-177.863.2-13.1000112.6G173 A187 H188 R189G173-D175 PolarHBondContact O-N 2.94Å; D175-A187 PolarHBondContact N-O 2.8Å; D175-A187 VanDerWaalsContact N-O 3.15Å; D175-H188 VanDerWaalsContact OD1-CA 3.25Å; D175-H188 WeakPolarHBondContact OD1-CA 3.25Å; D175-R189 WeakPolarHBondContact OD1-CG 3.22Å; D175-R189 PolarHBondContact OD1-N 3.2Å; D175-R189 WeakPolarHBondContact OD2-CB 3.41Å; D175-R189 WeakPolarHBondContact OD2-CD 3.49Å; D175-R189 WeakPolarHBondContact OD2-CG 3.45Å
176V93.5Very high93.7Very high1 Ų163.8 Ų63.81%0.00637%0.369CS..EExtended strand (participates in β ladder)trans-147.4150174.764.10000110.8F178 A187 R189 L192 L203 I216V176-F178 HydrophobicContact CG1-CE2 4Å; V176-F178 HydrophobicContact CG2-CD2 4.44Å; V176-F178 HydrophobicContact CG2-CE2 3.9Å; V176-F178 HydrophobicContact CG2-CZ 4.23Å; V176-A187 HydrophobicContact CG1-CB 4.06Å; V176-A187 WeakPolarHBondContact CG1-O 3.49Å; V176-A187 PolarHBondContact N-O 2.81Å; V176-A187 PolarHBondContact O-N 3.25Å; V176-R189 HydrophobicContact CB-CG 3.83Å; V176-R189 HydrophobicContact CG1-CG 3.84Å; V176-L192 HydrophobicContact CG1-CD1 4.34Å; V176-L203 HydrophobicContact CG2-CD2 4.29Å; V176-I216 HydrophobicContact CG2-CD1 3.75Å; V176-I216 HydrophobicContact CG2-CG1 4.25Å
177T95.3Very high93.9Very high34 Ų3458.6 Ų58.621%0.20934%0.342CS..EExtended strand (participates in β ladder)trans-130.8129.1174.6-600000109.3R184 F185 T214 S215 I216T177-R184 HydrophobicContact CG2-CB 4Å; T177-F185 CarbonylContact C-O 3.52Å; T177-F185 VanDerWaalsContact CA-O 3.3Å; T177-F185 WeakPolarHBondContact CA-O 3.47Å; T177-T214 PolarHBondContact N-O 2.6Å; T177-S215 CarbonylContact O-C 3.56Å; T177-S215 VanDerWaalsContact O-CA 3.25Å; T177-S215 WeakPolarHBondContact O-CA 3.44Å; T177-I216 PolarHBondContact O-N 3.08Å
178F95.2Very high94Very high0 Ų056.4 Ų56.40%033%0.33CS..EExtended strand (participates in β ladder)trans-97.8142.7172-67.9-92.4000110.4V176 V180 R184 F185 L192 F199 L203 I216 L218 F226V176-F178 HydrophobicContact CG1-CE2 4Å; V176-F178 HydrophobicContact CG2-CD2 4.44Å; V176-F178 HydrophobicContact CG2-CE2 3.9Å; V176-F178 HydrophobicContact CG2-CZ 4.23Å; F178-V180 HydrophobicContact CB-CG2 4.32Å; F178-R184 CarbonylContact O-C 3.59Å; F178-R184 WeakPolarHBondContact O-CA 3.32Å; F178-F185 HydrophobicContact CB-CB 4.37Å; F178-F185 PolarHBondContact N-O 3.29Å; F178-F185 PolarHBondContact O-N 2.93Å; F178-L192 HydrophobicContact CD2-CD1 4.45Å; F178-L192 HydrophobicContact CE2-CD1 3.41Å; F178-L192 VanDerWaalsContact CE2-CD1 3.41Å; F178-L192 HydrophobicContact CZ-CD1 3.87Å; F178-F199 HydrophobicContact CE1-CD1 4.5Å; F178-F199 AromaticContact CE1-CE1 3.74Å; F178-F199 HydrophobicContact CE1-CE1 3.74Å; F178-F199 HydrophobicContact CE1-CZ 4.39Å; F178-F199 HydrophobicContact CZ-CD1 4.2Å; F178-F199 AromaticContact CZ-CE1 3.72Å; F178-F199 HydrophobicContact CZ-CE1 3.72Å; F178-F199 HydrophobicContact CZ-CZ 4.3Å; F178-L203 HydrophobicContact CZ-CD2 4.38Å; F178-I216 CarbonylContact C-O 3.51Å; F178-I216 VanDerWaalsContact CA-O 3.25Å; F178-I216 WeakPolarHBondContact CA-O 3.16Å; F178-I216 HydrophobicContact CD1-CB 3.88Å; F178-I216 HydrophobicContact CD1-CG2 4Å; F178-I216 HydrophobicContact CE1-CB 3.95Å; F178-I216 HydrophobicContact CE1-CD1 4.08Å; F178-I216 HydrophobicContact CE1-CG2 3.88Å; F178-I216 HydrophobicContact CZ-CD1 4.21Å; F178-L218 HydrophobicContact CD1-CD1 3.71Å; F178-L218 HydrophobicContact CE1-CD1 4.08Å; F178-F226 HydrophobicContact CB-CE1 3.65Å; F178-F226 HydrophobicContact CB-CZ 3.73Å; F178-F226 HydrophobicContact CD1-CZ 4.08Å; F178-F226 HydrophobicContact CD2-CE1 4.37Å; F178-F226 AromaticContact CD2-CZ 3.92Å; F178-F226 HydrophobicContact CD2-CZ 3.92Å; F178-F226 HydrophobicContact CG-CE1 4.05Å; F178-F226 AromaticContact CG-CZ 3.62Å; F178-F226 HydrophobicContact CG-CZ 3.62Å
179V95.1Very high94Very high43 Ų4355.8 Ų55.826%0.26133%0.325SS..EExtended strand (participates in β ladder)trans-111.9113.8174.1-175.50000108.5E183 R184 S215 I216 L218V179-E183 CarbonylContact C-O 3.57Å; V179-E183 VanDerWaalsContact CA-O 3.27Å; V179-E183 WeakPolarHBondContact CA-O 3.41Å; V179-R184 HydrophobicContact CG2-CG 4.42Å; V179-S215 WeakPolarHBondContact CG2-OG 3.38Å; V179-I216 PolarHBondContact N-O 2.89Å; V179-L218 PolarHBondContact O-N 3.4Å
180V94.8Very high94.1Very high0 Ų049.3 Ų49.30%031%0.313CS..EExtended strand (participates in β ladder)trans-131.2120.6-174.6-165.80000108.2F178 G182 E183 F185 L218 T221 F226F178-V180 HydrophobicContact CB-CG2 4.32Å; V180-G182 PolarHBondContact O-N 3.11Å; V180-E183 PolarHBondContact N-O 3.32Å; V180-E183 WeakPolarHBondContact O-CA 3.38Å; V180-E183 WeakPolarHBondContact O-CB 3.3Å; V180-E183 PolarHBondContact O-N 2.72Å; V180-F185 HydrophobicContact CB-CD2 4.2Å; V180-F185 HydrophobicContact CB-CE2 3.87Å; V180-F185 HydrophobicContact CG2-CD2 3.9Å; V180-F185 HydrophobicContact CG2-CE2 4.05Å; V180-L218 HydrophobicContact CG2-CB 3.79Å; V180-L218 HydrophobicContact CG2-CD2 4.49Å; V180-T221 WeakPolarHBondContact CG1-O 3.36Å; V180-F226 HydrophobicContact CB-CD1 4.48Å; V180-F226 HydrophobicContact CG1-CB 4.16Å; V180-F226 HydrophobicContact CG2-CB 4.24Å; V180-F226 HydrophobicContact CG2-CD1 3.52Å; V180-F226 HydrophobicContact CG2-CD2 4.41Å; V180-F226 HydrophobicContact CG2-CE1 3.9Å; V180-F226 HydrophobicContact CG2-CG 3.8Å
181D91.8Very high94.3Very high118 Ų11847.2 Ų47.263%0.63130%0.297SS*.THydrogen-bonded Turntrans48.233.8-174.6-57.6-27.1000114.5E183 S222 A223D181-E183 PolarHBondContact O-N 3.29Å; D181-S222 WeakPolarHBondContact OD2-CA 3.27Å; D181-A223 HydrophobicContact CB-CB 4.28Å; D181-A223 PolarHBondContact OD2-N 2.81Å
182G90.9Very high94.5Very high66 Ų6645.5 Ų45.568%0.6828%0.283SS*.THydrogen-bonded Turntrans83-13.8-177.100000114.9V180V180-G182 PolarHBondContact O-N 3.11Å
183E95Very high94.6Very high83 Ų8343.5 Ų43.539%0.38827%0.266SS..EExtended strand (participates in β ladder)trans-76.7149.7171.3-67.1-171.2-141.900111.7V179 V180 D181 F185 A223 R227V179-E183 CarbonylContact C-O 3.57Å; V179-E183 VanDerWaalsContact CA-O 3.27Å; V179-E183 WeakPolarHBondContact CA-O 3.41Å; V180-E183 PolarHBondContact N-O 3.32Å; V180-E183 WeakPolarHBondContact O-CA 3.38Å; V180-E183 WeakPolarHBondContact O-CB 3.3Å; V180-E183 PolarHBondContact O-N 2.72Å; D181-E183 PolarHBondContact O-N 3.29Å; E183-F185 HydrophobicContact CB-CD2 4.42Å; E183-F185 HydrophobicContact CB-CE2 3.6Å; E183-F185 HydrophobicContact CB-CZ 4.04Å; E183-F185 WeakPolarHBondContact OE2-CZ 3.27Å; E183-A223 HydrophobicContact CB-CB 4.42Å; E183-A223 HydrophobicContact CG-CB 4.26Å; E183-A223 WeakPolarHBondContact OE1-CB 3.48Å; E183-R227 IonicContact OE1-NH2 2.8Å; E183-R227 PolarHBondContact OE1-NH2 3.14Å; E183-R227 IonicContact OE2-CZ 3.5Å; E183-R227 IonicContact OE2-NH2 2.83Å; E183-R227 PolarHBondContact OE2-NH2 2.85Å
184R95Very high94.7Very high183 Ų18344.2 Ų44.269%0.69127%0.265SS*.EExtended strand (participates in β ladder)trans-113.6126.4-178.9-55.5-176.389.3158.86.1110.6T177 F178 V179T177-R184 HydrophobicContact CG2-CB 4Å; F178-R184 CarbonylContact O-C 3.59Å; F178-R184 WeakPolarHBondContact O-CA 3.32Å; V179-R184 HydrophobicContact CG2-CG 4.42Å
185F96.1Very high94.8Very high22 Ų2246.2 Ų46.210%0.09627%0.266CS..EExtended strand (participates in β ladder)trans-118104-177.8-64.1-91.5000110.5T177 F178 V180 E183 A223 F226 R227 L230T177-F185 CarbonylContact C-O 3.52Å; T177-F185 VanDerWaalsContact CA-O 3.3Å; T177-F185 WeakPolarHBondContact CA-O 3.47Å; F178-F185 HydrophobicContact CB-CB 4.37Å; F178-F185 PolarHBondContact N-O 3.29Å; F178-F185 PolarHBondContact O-N 2.93Å; V180-F185 HydrophobicContact CB-CD2 4.2Å; V180-F185 HydrophobicContact CB-CE2 3.87Å; V180-F185 HydrophobicContact CG2-CD2 3.9Å; V180-F185 HydrophobicContact CG2-CE2 4.05Å; E183-F185 HydrophobicContact CB-CD2 4.42Å; E183-F185 HydrophobicContact CB-CE2 3.6Å; E183-F185 HydrophobicContact CB-CZ 4.04Å; E183-F185 WeakPolarHBondContact OE2-CZ 3.27Å; F185-A223 HydrophobicContact CE2-CB 4.32Å; F185-A223 HydrophobicContact CZ-CB 4.11Å; F185-F226 HydrophobicContact CB-CD1 4.24Å; F185-F226 HydrophobicContact CB-CE1 3.8Å; F185-F226 HydrophobicContact CD1-CD1 4.16Å; F185-F226 AromaticContact CD2-CD1 3.75Å; F185-F226 HydrophobicContact CD2-CD1 3.75Å; F185-F226 HydrophobicContact CD2-CE1 4.06Å; F185-F226 HydrophobicContact CE1-CD1 4.49Å; F185-F226 HydrophobicContact CE2-CD1 4.11Å; F185-F226 AromaticContact CG-CD1 3.77Å; F185-F226 HydrophobicContact CG-CD1 3.77Å; F185-F226 AromaticContact CG-CE1 3.87Å; F185-F226 HydrophobicContact CG-CE1 3.87Å; F185-F226 HydrophobicContact CZ-CD1 4.47Å; F185-R227 HydrophobicContact CE1-CB 3.89Å; F185-R227 HydrophobicContact CE1-CG 4.18Å; F185-R227 HydrophobicContact CZ-CB 4.46Å; F185-L230 HydrophobicContact CB-CD1 3.81Å; F185-L230 HydrophobicContact CD1-CD1 3.94Å; F185-L230 HydrophobicContact CG-CD1 4.11Å
186A95.9Very high95Very high30 Ų3042.8 Ų42.825%0.24825%0.248CC..EExtended strand (participates in β ladder)trans-72.2135.6172.800000110.6A171A171-A186 HydrophobicContact CB-CB 3.86Å
187A96.2Very high95.1Very high0 Ų046.2 Ų46.20%027%0.27CS..EExtended strand (participates in β ladder)trans-151.1-177-177.200000111.8S174 D175 V176 L192 L230S174-A187 CarbonylContact C-O 3.55Å; S174-A187 VanDerWaalsContact CA-O 3.24Å; S174-A187 WeakPolarHBondContact CA-O 3.47Å; S174-A187 VanDerWaalsContact CB-O 3.26Å; S174-A187 WeakPolarHBondContact CB-O 3.3Å; D175-A187 PolarHBondContact N-O 2.8Å; D175-A187 VanDerWaalsContact N-O 3.15Å; V176-A187 HydrophobicContact CG1-CB 4.06Å; V176-A187 WeakPolarHBondContact CG1-O 3.49Å; V176-A187 PolarHBondContact N-O 2.81Å; V176-A187 PolarHBondContact O-N 3.25Å; A187-L192 HydrophobicContact CB-CD1 3.91Å; A187-L192 HydrophobicContact CB-CG 4.46Å; A187-L230 HydrophobicContact CB-CD2 4.01Å
188H95.4Very high95.1Very high19 Ų1947.3 Ų47.39%0.08828%0.277CS..  trans-124.1116.2-173.3-55.776.9000110.1L167 A172 G173 S174 D175 A190 V191 L192 Y234L167-H188 PolarHBondContact O-CE1 3.28Å; A172-H188 PolarHBondContact O-NE2 3.42Å; G173-H188 PolarHBondContact O-CD2 3.09Å; S174-H188 PolarHBondContact N-NE2 3.11Å; D175-H188 VanDerWaalsContact OD1-CA 3.25Å; D175-H188 WeakPolarHBondContact OD1-CA 3.25Å; H188-A190 VanDerWaalsContact C-N 3.26Å; H188-A190 PolarHBondContact O-N 2.83Å; H188-V191 HydrophobicContact CB-CB 4.2Å; H188-V191 HydrophobicContact CB-CG2 3.88Å; H188-V191 PolarHBondContact O-N 3.38Å; H188-L192 WeakPolarHBondContact O-CG 3.44Å; H188-L192 PolarHBondContact O-N 2.72Å; H188-L192 VanDerWaalsContact O-N 3.08Å; H188-Y234 VanDerWaalsContact CB-OH 3.27Å; H188-Y234 WeakPolarHBondContact CB-OH 3.45Å; H188-Y234 PolarHBondContact N-OH 2.97Å; H188-Y234 AromaticContact ND1-CE1 3.71Å; H188-Y234 AromaticContact ND1-CZ 3.63Å; H188-Y234 PolarHBondContact ND1-OH 3.4Å
189R94.3Very high95Very high26 Ų2647.3 Ų47.310%0.09828%0.277CS..Hα-helixtrans-54.4-44.3-175.5-63.3170.388.296.22.3111.7D175 V176 V191 L192 A193 L203 F204 E209 A210D175-R189 WeakPolarHBondContact OD1-CG 3.22Å; D175-R189 PolarHBondContact OD1-N 3.2Å; D175-R189 WeakPolarHBondContact OD2-CB 3.41Å; D175-R189 WeakPolarHBondContact OD2-CD 3.49Å; D175-R189 WeakPolarHBondContact OD2-CG 3.45Å; V176-R189 HydrophobicContact CB-CG 3.83Å; V176-R189 HydrophobicContact CG1-CG 3.84Å; R189-V191 VanDerWaalsContact C-N 3.34Å; R189-V191 PolarHBondContact O-N 3.5Å; R189-L192 PolarHBondContact O-N 2.76Å; R189-A193 WeakPolarHBondContact O-CB 3.25Å; R189-A193 PolarHBondContact O-N 3.11Å; R189-L203 HydrophobicContact CB-CB 4.5Å; R189-L203 HydrophobicContact CB-CD1 4.23Å; R189-L203 HydrophobicContact CG-CD1 4.32Å; R189-L203 PolarHBondContact NH2-O 3.33Å; R189-F204 HydrophobicContact CB-CE2 4.06Å; R189-F204 HydrophobicContact CB-CZ 3.73Å; R189-E209 PolarHBondContact NH2-O 2.84Å; R189-A210 VanDerWaalsContact NH2-CA 3.3Å; R189-A210 PolarHBondContact NH2-O 3.4Å; R189-A210 VanDerWaalsContact NH2-O 3.13Å
190A94.8Very high94.9Very high66 Ų6651.4 Ų51.455%0.54529%0.291SS..Hα-helixtrans-60.7-4118000000112.7H188 A194H188-A190 VanDerWaalsContact C-N 3.26Å; H188-A190 PolarHBondContact O-N 2.83Å; A190-A194 VanDerWaalsContact O-CB 3.3Å; A190-A194 WeakPolarHBondContact O-CB 3.46Å; A190-A194 PolarHBondContact O-N 2.81Å; A190-A194 VanDerWaalsContact O-N 3.09Å
191V96.3Very high94.7Very high25 Ų2554.6 Ų54.615%0.15232%0.317CS..Hα-helixtrans-68.8-49.6179-179.90000110H188 R189 A193 A194 R195 Y234H188-V191 HydrophobicContact CB-CB 4.2Å; H188-V191 HydrophobicContact CB-CG2 3.88Å; H188-V191 PolarHBondContact O-N 3.38Å; R189-V191 VanDerWaalsContact C-N 3.34Å; R189-V191 PolarHBondContact O-N 3.5Å; V191-A193 PolarHBondContact O-N 2.83Å; V191-A194 PolarHBondContact O-N 2.8Å; V191-R195 VanDerWaalsContact O-CG 3.22Å; V191-R195 WeakPolarHBondContact O-CG 3.38Å; V191-R195 PolarHBondContact O-N 3.44Å; V191-Y234 HydrophobicContact CB-CE1 4.06Å; V191-Y234 HydrophobicContact CG1-CD1 3.94Å; V191-Y234 HydrophobicContact CG1-CD2 4.32Å; V191-Y234 HydrophobicContact CG1-CE1 3.78Å; V191-Y234 HydrophobicContact CG1-CE2 4.17Å; V191-Y234 HydrophobicContact CG1-CG 4.22Å; V191-Y234 HydrophobicContact CG2-CE1 3.98Å
192L95.9Very high94.6Very high1 Ų151.6 Ų51.61%0.00530%0.299CS..Hα-helixtrans-60.9-45.1-179.3-60.5-179.3000112.1V176 F178 A187 H188 R189 A194 R195 S196 F199 L203 L230 M233 Y234V176-L192 HydrophobicContact CG1-CD1 4.34Å; F178-L192 HydrophobicContact CD2-CD1 4.45Å; F178-L192 HydrophobicContact CE2-CD1 3.41Å; F178-L192 VanDerWaalsContact CE2-CD1 3.41Å; F178-L192 HydrophobicContact CZ-CD1 3.87Å; A187-L192 HydrophobicContact CB-CD1 3.91Å; A187-L192 HydrophobicContact CB-CG 4.46Å; H188-L192 WeakPolarHBondContact O-CG 3.44Å; H188-L192 PolarHBondContact O-N 2.72Å; H188-L192 VanDerWaalsContact O-N 3.08Å; R189-L192 PolarHBondContact O-N 2.76Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 3.32Å; L192-R195 PolarHBondContact O-N 3.31Å; L192-R195 VanDerWaalsContact O-N 3.12Å; L192-S196 PolarHBondContact O-N 3.27Å; L192-F199 HydrophobicContact CB-CB 3.99Å; L192-F199 HydrophobicContact CB-CD2 3.9Å; L192-F199 HydrophobicContact CB-CG 4.06Å; L192-F199 HydrophobicContact CD2-CD2 4.41Å; L192-F199 HydrophobicContact CD2-CE2 4.42Å; L192-L203 HydrophobicContact CB-CD1 3.97Å; L192-L203 HydrophobicContact CD1-CD1 4.09Å; L192-L230 HydrophobicContact CD2-CD2 3.86Å; L192-M233 HydrophobicContact CD2-CB 4.48Å; L192-M233 HydrophobicContact CD2-SD 3.42Å; L192-M233 WeakPolarHBondContact CD2-SD 3.3Å; L192-Y234 HydrophobicContact CD2-CE2 4.33Å
193A94.7Very high94.6Very high11 Ų1148.5 Ų48.59%0.09127%0.267CS..Hα-helixtrans-67.9-27.4178.200000114R189 V191 R195 K200 F204R189-A193 WeakPolarHBondContact O-CB 3.25Å; R189-A193 PolarHBondContact O-N 3.11Å; V191-A193 PolarHBondContact O-N 2.83Å; A193-R195 VanDerWaalsContact C-N 3.29Å; A193-K200 HydrophobicContact CB-CB 3.88Å; A193-K200 HydrophobicContact CB-CG 4.1Å; A193-K200 WeakPolarHBondContact O-CB 3.41Å; A193-F204 HydrophobicContact CB-CD2 3.46Å; A193-F204 VanDerWaalsContact CB-CD2 3.46Å; A193-F204 HydrophobicContact CB-CE2 3.34Å
194A96.2Very high94.3Very high83 Ų8350.3 Ų50.369%0.68627%0.274SS*.Hα-helixtrans-72.7-26.2173.300000112.1A190 V191 L192A190-A194 VanDerWaalsContact O-CB 3.3Å; A190-A194 WeakPolarHBondContact O-CB 3.46Å; A190-A194 PolarHBondContact O-N 2.81Å; A190-A194 VanDerWaalsContact O-N 3.09Å; V191-A194 PolarHBondContact O-N 2.8Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 3.32Å
195R96.2Very high93.7Very high87 Ų8742.8 Ų42.833%0.32825%0.254SS..Hα-helixtrans-100.8-23.8-172.9-60.8-65.8-68.1136.3-3.5113.9V191 L192 A193 M233 D236 L271V191-R195 VanDerWaalsContact O-CG 3.22Å; V191-R195 WeakPolarHBondContact O-CG 3.38Å; V191-R195 PolarHBondContact O-N 3.44Å; L192-R195 PolarHBondContact O-N 3.31Å; L192-R195 VanDerWaalsContact O-N 3.12Å; A193-R195 VanDerWaalsContact C-N 3.29Å; R195-M233 HydrophobicContact CB-CB 4.26Å; R195-M233 HydrophobicContact CB-CG 4.2Å; R195-M233 HydrophobicContact CB-SD 4.39Å; R195-M233 HydrophobicContact CG-CB 4.36Å; R195-M233 WeakPolarHBondContact CG-O 3.23Å; R195-M233 PolarHBondContact NE-O 3.04Å; R195-D236 IonicContact CZ-OD1 2.8Å; R195-D236 IonicContact NH2-OD1 3.21Å; R195-D236 PolarHBondContact NH2-OD1 3.19Å; R195-L271 VanDerWaalsContact O-CD2 3.28Å; R195-L271 WeakPolarHBondContact O-CD2 3.5Å
196S96.9Very high92.4Very high0 Ų048.3 Ų48.30%030%0.295CS..  trans-135.3118.5-178.4168.90000110.6L192 V198 F199 K200 F269L192-S196 PolarHBondContact O-N 3.27Å; S196-V198 PolarHBondContact O-N 3.39Å; S196-V198 PolarHBondContact OG-N 3.23Å; S196-F199 PolarHBondContact O-N 2.91Å; S196-F199 PolarHBondContact OG-N 3.43Å; S196-F199 VanDerWaalsContact OG-N 3.08Å; S196-K200 WeakPolarHBondContact O-CB 3.46Å; S196-K200 PolarHBondContact O-N 3.22Å; S196-F269 VanDerWaalsContact CB-O 3.31Å; S196-F269 WeakPolarHBondContact CB-O 3.41Å; S196-F269 PolarHBondContact OG-O 2.86Å
197P95.6Very high90.6Very high73 Ų7354.8 Ų54.847%0.47432%0.322SS..Hα-helixtrans-56.2-33.6170-27.136.8000112.9K200 A201 D270P197-K200 WeakPolarHBondContact O-CB 3.47Å; P197-K200 PolarHBondContact O-N 2.94Å; P197-A201 PolarHBondContact O-N 3.34Å; P197-D270 WeakPolarHBondContact CG-OD2 3.18Å
198V94.5Very high88.5Confident57 Ų5758.4 Ų58.435%0.34535%0.352SS..Hα-helixtrans-64.6-50176.3178.70000110.5S196 K200 A201 Q202 F269 D270S196-V198 PolarHBondContact O-N 3.39Å; S196-V198 PolarHBondContact OG-N 3.23Å; V198-K200 VanDerWaalsContact C-N 3.29Å; V198-K200 PolarHBondContact O-N 3.3Å; V198-A201 PolarHBondContact O-N 3.03Å; V198-Q202 WeakPolarHBondContact O-CB 3.41Å; V198-Q202 PolarHBondContact O-N 3.34Å; V198-F269 HydrophobicContact CG1-CD1 4.22Å; V198-D270 HydrophobicContact CG2-CB 3.89Å
199F93.6Very high86.6Confident1 Ų161.2 Ų61.20%0.00437%0.365CS..Hα-helixtrans-65.7-33174.2-77.8-46.2000112.8F178 L192 S196 A201 Q202 L203 F226 M229 M233 F269F178-F199 HydrophobicContact CE1-CD1 4.5Å; F178-F199 AromaticContact CE1-CE1 3.74Å; F178-F199 HydrophobicContact CE1-CE1 3.74Å; F178-F199 HydrophobicContact CE1-CZ 4.39Å; F178-F199 HydrophobicContact CZ-CD1 4.2Å; F178-F199 AromaticContact CZ-CE1 3.72Å; F178-F199 HydrophobicContact CZ-CE1 3.72Å; F178-F199 HydrophobicContact CZ-CZ 4.3Å; L192-F199 HydrophobicContact CB-CB 3.99Å; L192-F199 HydrophobicContact CB-CD2 3.9Å; L192-F199 HydrophobicContact CB-CG 4.06Å; L192-F199 HydrophobicContact CD2-CD2 4.41Å; L192-F199 HydrophobicContact CD2-CE2 4.42Å; S196-F199 PolarHBondContact O-N 2.91Å; S196-F199 PolarHBondContact OG-N 3.43Å; S196-F199 VanDerWaalsContact OG-N 3.08Å; F199-A201 VanDerWaalsContact C-N 3.33Å; F199-A201 PolarHBondContact O-N 3.49Å; F199-Q202 PolarHBondContact O-N 3.42Å; F199-L203 HydrophobicContact CB-CD1 4.1Å; F199-L203 HydrophobicContact CD1-CD1 4.45Å; F199-L203 WeakPolarHBondContact O-CB 3.48Å; F199-L203 VanDerWaalsContact O-CG 3.25Å; F199-L203 WeakPolarHBondContact O-CG 3.35Å; F199-L203 PolarHBondContact O-N 2.87Å; F199-F226 HydrophobicContact CZ-CE2 4.23Å; F199-M229 HydrophobicContact CE2-CE 4.07Å; F199-M229 HydrophobicContact CZ-CE 4.15Å; F199-M233 HydrophobicContact CD2-CE 3.59Å; F199-M233 HydrophobicContact CD2-SD 3.87Å; F199-M233 HydrophobicContact CE2-CE 3.39Å; F199-M233 HydrophobicContact CE2-SD 3.81Å; F199-F269 HydrophobicContact CD1-CD1 4.31Å; F199-F269 HydrophobicContact CD1-CE1 4.27Å; F199-F269 HydrophobicContact CD2-CD1 4.18Å; F199-F269 AromaticContact CE1-CD1 3.83Å; F199-F269 HydrophobicContact CE1-CD1 3.83Å; F199-F269 AromaticContact CE1-CE1 3.49Å; F199-F269 HydrophobicContact CE1-CE1 3.49Å; F199-F269 VanDerWaalsContact CE1-CE1 3.49Å; F199-F269 HydrophobicContact CE1-CZ 4.45Å; F199-F269 AromaticContact CE2-CD1 3.7Å; F199-F269 HydrophobicContact CE2-CD1 3.7Å; F199-F269 HydrophobicContact CE2-CE1 4.07Å; F199-F269 HydrophobicContact CE2-CG 4.29Å; F199-F269 HydrophobicContact CG-CD1 4.46Å; F199-F269 AromaticContact CZ-CD1 3.49Å; F199-F269 HydrophobicContact CZ-CD1 3.49Å; F199-F269 VanDerWaalsContact CZ-CD1 3.49Å; F199-F269 AromaticContact CZ-CE1 3.36Å; F199-F269 HydrophobicContact CZ-CE1 3.36Å; F199-F269 HydrophobicContact CZ-CG 4.33Å; F199-F269 HydrophobicContact CZ-CZ 4.12Å
200K93.3Very high84.8Confident128 Ų12861.2 Ų61.256%0.55737%0.371SS*.Hα-helixtrans-59.6-47173.8-171.8174.4-179.5178.70111.2A193 S196 P197 V198 F204A193-K200 HydrophobicContact CB-CB 3.88Å; A193-K200 HydrophobicContact CB-CG 4.1Å; A193-K200 WeakPolarHBondContact O-CB 3.41Å; S196-K200 WeakPolarHBondContact O-CB 3.46Å; S196-K200 PolarHBondContact O-N 3.22Å; P197-K200 WeakPolarHBondContact O-CB 3.47Å; P197-K200 PolarHBondContact O-N 2.94Å; V198-K200 VanDerWaalsContact C-N 3.29Å; V198-K200 PolarHBondContact O-N 3.3Å; K200-F204 WeakPolarHBondContact O-CA 3.34Å; K200-F204 WeakPolarHBondContact O-CB 3.44Å; K200-F204 PolarHBondContact O-N 2.97Å
201A91.3Very high82.9Confident67 Ų6763.4 Ų63.455%0.55438%0.378SS*.Hα-helixtrans-65.5-41.5176.800000111.9P197 V198 F199 G205P197-A201 PolarHBondContact O-N 3.34Å; V198-A201 PolarHBondContact O-N 3.03Å; F199-A201 VanDerWaalsContact C-N 3.33Å; F199-A201 PolarHBondContact O-N 3.49Å; A201-G205 WeakPolarHBondContact O-CA 3.46Å; A201-G205 PolarHBondContact O-N 3.18Å
202Q89.6Confident81.1Confident55 Ų5570.3 Ų70.326%0.25741%0.411SS..Hα-helixtrans-69.3-43-179.3-172.41761.700112.8V198 F199 E209V198-Q202 WeakPolarHBondContact O-CB 3.41Å; V198-Q202 PolarHBondContact O-N 3.34Å; F199-Q202 PolarHBondContact O-N 3.42Å; Q202-E209 VanDerWaalsContact CG-OE2 3.31Å; Q202-E209 WeakPolarHBondContact CG-OE2 3.46Å; Q202-E209 PolarHBondContact NE2-OE2 2.97Å
203L89.8Confident79.6Confident1 Ų173.6 Ų73.61%0.00543%0.43CS..Hα-helixtrans-92.2-22.6-171.6-59174.2000113.5V176 F178 R189 L192 F199 I216V176-L203 HydrophobicContact CG2-CD2 4.29Å; F178-L203 HydrophobicContact CZ-CD2 4.38Å; R189-L203 HydrophobicContact CB-CB 4.5Å; R189-L203 HydrophobicContact CB-CD1 4.23Å; R189-L203 HydrophobicContact CG-CD1 4.32Å; R189-L203 PolarHBondContact NH2-O 3.33Å; L192-L203 HydrophobicContact CB-CD1 3.97Å; L192-L203 HydrophobicContact CD1-CD1 4.09Å; F199-L203 HydrophobicContact CB-CD1 4.1Å; F199-L203 HydrophobicContact CD1-CD1 4.45Å; F199-L203 WeakPolarHBondContact O-CB 3.48Å; F199-L203 VanDerWaalsContact O-CG 3.25Å; F199-L203 WeakPolarHBondContact O-CG 3.35Å; F199-L203 PolarHBondContact O-N 2.87Å; L203-I216 HydrophobicContact CD2-CD1 3.49Å; L203-I216 VanDerWaalsContact CD2-CD1 3.49Å
204F88Confident78.9Confident121 Ų12177.9 Ų77.953%0.53146%0.456SS..Hα-helixtrans-125.55.2179.7-63.7-71.9000113.5R189 A193 K200R189-F204 HydrophobicContact CB-CE2 4.06Å; R189-F204 HydrophobicContact CB-CZ 3.73Å; A193-F204 HydrophobicContact CB-CD2 3.46Å; A193-F204 VanDerWaalsContact CB-CD2 3.46Å; A193-F204 HydrophobicContact CB-CE2 3.34Å; K200-F204 WeakPolarHBondContact O-CA 3.34Å; K200-F204 WeakPolarHBondContact O-CB 3.44Å; K200-F204 PolarHBondContact O-N 2.97Å
205G83.1Confident78.5Confident26 Ų2675.7 Ų75.727%0.26844%0.435SS..SBendtrans-73.5172.8174.800000113.3A201 M207 A210A201-G205 WeakPolarHBondContact O-CA 3.46Å; A201-G205 PolarHBondContact O-N 3.18Å; G205-M207 PolarHBondContact O-N 2.96Å; G205-A210 WeakPolarHBondContact O-CB 3.38Å
206S69.2Low78.2Confident137 Ų13771.6 Ų71.696%0.95842%0.42SS*.SBendtrans-77-1.5-179.147.60000114.6
207M57.9Low78Confident166 Ų16675.2 Ų75.282%0.81844%0.444SS*.SBendtrans-92.9145.2-177.5-150162.5-177.800110.7G205 E209 A210G205-M207 PolarHBondContact O-N 2.96Å; M207-E209 PolarHBondContact O-N 3Å; M207-A210 PolarHBondContact O-N 3.2Å; M207-A210 VanDerWaalsContact O-N 3.07Å
208A52Low77.7Confident76 Ų7672.2 Ų72.263%0.62842%0.424SS*.G310 helixtrans-55.6-8.1-157.500000118.8A210A208-A210 VanDerWaalsContact C-N 3.27Å; A208-A210 PolarHBondContact O-N 3.12Å
209E56.4Low77.5Confident78 Ų7876.5 Ų76.536%0.36444%0.439SS..G310 helixtrans-73.2-20.5172.1-64.4-168.6174.100112.8R189 Q202 M207 T211R189-E209 PolarHBondContact NH2-O 2.84Å; Q202-E209 VanDerWaalsContact CG-OE2 3.31Å; Q202-E209 WeakPolarHBondContact CG-OE2 3.46Å; Q202-E209 PolarHBondContact NE2-OE2 2.97Å; M207-E209 PolarHBondContact O-N 3Å; E209-T211 VanDerWaalsContact C-N 3.25Å; E209-T211 PolarHBondContact O-N 2.89Å
210A54.8Low77.1Confident27 Ų2780.1 Ų80.122%0.22348%0.477CS..G310 helixtrans-66.8-26.2179.900000113.4R189 G205 M207 A208R189-A210 VanDerWaalsContact NH2-CA 3.3Å; R189-A210 PolarHBondContact NH2-O 3.4Å; R189-A210 VanDerWaalsContact NH2-O 3.13Å; G205-A210 WeakPolarHBondContact O-CB 3.38Å; M207-A210 PolarHBondContact O-N 3.2Å; M207-A210 VanDerWaalsContact O-N 3.07Å; A208-A210 VanDerWaalsContact C-N 3.27Å; A208-A210 PolarHBondContact O-N 3.12Å
211T54.9Low77Confident112 Ų11274.7 Ų74.769%0.68746%0.455SS*.THydrogen-bonded Turntrans-122-13.5-161.7-10.70000115.8E209E209-T211 VanDerWaalsContact C-N 3.25Å; E209-T211 PolarHBondContact O-N 2.89Å
212M58.5Low77Confident170 Ų17073.4 Ų73.484%0.83744%0.442SS*.SBendtrans-133.3-22.1-167-72.9-81147.200116.1
213T65.4Low77.1Confident69 Ų6971 Ų7142%0.42343%0.431SS..  trans-121.9114.6-170.5-13.10000111.7S215T213-S215 VanDerWaalsContact C-N 3.28Å; T213-S215 WeakPolarHBondContact CG2-O 3.34Å
214T79.1Confident77.2Confident101 Ų10173.6 Ų73.662%0.6245%0.453SS*.SBendtrans-78.3-11.7171.1410000112.9T177T177-T214 PolarHBondContact N-O 2.6Å
215S88.7Confident77.5Confident37 Ų3768 Ų6826%0.25943%0.428SS..EExtended strand (participates in β ladder)trans-118.2115.8-179.4-167.40000110.3T177 V179 T213T177-S215 CarbonylContact O-C 3.56Å; T177-S215 VanDerWaalsContact O-CA 3.25Å; T177-S215 WeakPolarHBondContact O-CA 3.44Å; V179-S215 WeakPolarHBondContact CG2-OG 3.38Å; T213-S215 VanDerWaalsContact C-N 3.28Å; T213-S215 WeakPolarHBondContact CG2-O 3.34Å
216I89.9Confident78Confident2 Ų266.8 Ų66.81%0.0142%0.416CS..EExtended strand (participates in β ladder)trans-114.8114.9-175.8-58.3177.7000109.2V176 T177 F178 V179 L203V176-I216 HydrophobicContact CG2-CD1 3.75Å; V176-I216 HydrophobicContact CG2-CG1 4.25Å; T177-I216 PolarHBondContact O-N 3.08Å; F178-I216 CarbonylContact C-O 3.51Å; F178-I216 VanDerWaalsContact CA-O 3.25Å; F178-I216 WeakPolarHBondContact CA-O 3.16Å; F178-I216 HydrophobicContact CD1-CB 3.88Å; F178-I216 HydrophobicContact CD1-CG2 4Å; F178-I216 HydrophobicContact CE1-CB 3.95Å; F178-I216 HydrophobicContact CE1-CD1 4.08Å; F178-I216 HydrophobicContact CE1-CG2 3.88Å; F178-I216 HydrophobicContact CZ-CD1 4.21Å; V179-I216 PolarHBondContact N-O 2.89Å; L203-I216 HydrophobicContact CD2-CD1 3.49Å; L203-I216 VanDerWaalsContact CD2-CD1 3.49Å
217P91.6Very high79.2Confident76 Ų7665.5 Ų65.549%0.49439%0.39SS..EExtended strand (participates in β ladder)trans-70.9134.3173.229.6-32.1000110.2
218L90.5Very high80.9Confident10 Ų1058.2 Ų58.25%0.05236%0.356CS..  trans-116.8115177-154129.5000109.1F178 V179 V180 T221 F226 F269F178-L218 HydrophobicContact CD1-CD1 3.71Å; F178-L218 HydrophobicContact CE1-CD1 4.08Å; V179-L218 PolarHBondContact O-N 3.4Å; V180-L218 HydrophobicContact CG2-CB 3.79Å; V180-L218 HydrophobicContact CG2-CD2 4.49Å; L218-T221 HydrophobicContact CD2-CG2 4.44Å; L218-F226 HydrophobicContact CD1-CD2 4.14Å; L218-F226 HydrophobicContact CD1-CE2 3.55Å; L218-F226 HydrophobicContact CD1-CZ 4.11Å; L218-F226 HydrophobicContact CD2-CD2 3.88Å; L218-F226 HydrophobicContact CD2-CE2 4.16Å; L218-F226 HydrophobicContact CG-CE2 4.43Å; L218-F269 HydrophobicContact CD1-CE1 4.32Å; L218-F269 HydrophobicContact CD1-CZ 3.8Å; L218-F269 HydrophobicContact CD2-CE2 4.48Å; L218-F269 HydrophobicContact CD2-CZ 4.14Å; L218-F269 HydrophobicContact CG-CZ 4.28Å
219H89.4Confident83Confident146 Ų14654.7 Ų54.768%0.67633%0.327SS*.  trans-103.7148.6-179.7-58.2-56.7000111R268H219-R268 PolarHBondContact O-NH1 2.72Å; H219-R268 PolarHBondContact O-NH2 3.14Å; H219-R268 VanDerWaalsContact O-NH2 3.11Å
220G86.3Confident84.8Confident78 Ų7851.1 Ų51.180%0.80431%0.31SS*.SBendtrans79.422.5174.600000114.7
221T90.2Very high86.7Confident14 Ų1454.8 Ų54.89%0.08632%0.318CS..SBendtrans-145.6129.9171.8-55.90000106.8V180 L218 T225 F226 A265 R268V180-T221 WeakPolarHBondContact CG1-O 3.36Å; L218-T221 HydrophobicContact CD2-CG2 4.44Å; T221-T225 HydrophobicContact CG2-CG2 3.7Å; T221-F226 HydrophobicContact CG2-CB 4.14Å; T221-A265 HydrophobicContact CG2-CB 4.22Å; T221-R268 PolarHBondContact OG1-NH1 2.86Å
222S91.9Very high88.6Confident39 Ų3949.5 Ų49.527%0.27329%0.286SS..  trans-68.2154.9179.567.10000111.3D181 A224 T225 F226D181-S222 WeakPolarHBondContact OD2-CA 3.27Å; S222-A224 PolarHBondContact O-N 3.34Å; S222-T225 PolarHBondContact O-N 3.23Å; S222-T225 VanDerWaalsContact OG-CB 3.32Å; S222-T225 WeakPolarHBondContact OG-CB 3.24Å; S222-T225 PolarHBondContact OG-N 3.48Å; S222-T225 PolarHBondContact OG-OG1 3.25Å; S222-F226 WeakPolarHBondContact O-CB 3.25Å; S222-F226 PolarHBondContact O-N 2.91Å
223A92.7Very high90.4Very high5 Ų541.6 Ų41.64%0.04125%0.247CC..Hα-helixtrans-55.1-40.6174.800000112.4D181 E183 F185 F226 R227D181-A223 HydrophobicContact CB-CB 4.28Å; D181-A223 PolarHBondContact OD2-N 2.81Å; E183-A223 HydrophobicContact CB-CB 4.42Å; E183-A223 HydrophobicContact CG-CB 4.26Å; E183-A223 WeakPolarHBondContact OE1-CB 3.48Å; F185-A223 HydrophobicContact CE2-CB 4.32Å; F185-A223 HydrophobicContact CZ-CB 4.11Å; A223-F226 PolarHBondContact O-N 2.79Å; A223-R227 VanDerWaalsContact O-CB 3.31Å; A223-R227 WeakPolarHBondContact O-CB 3.26Å; A223-R227 PolarHBondContact O-N 2.97Å
224A91.5Very high91.8Very high55 Ų5538.4 Ų38.446%0.45523%0.227SC..Hα-helixtrans-62-48.1176.900000112.2S222 F226 R227 A228S222-A224 PolarHBondContact O-N 3.34Å; A224-F226 PolarHBondContact O-N 2.94Å; A224-R227 PolarHBondContact O-N 3.31Å; A224-A228 PolarHBondContact O-N 2.82Å
225T93.2Very high92.4Very high3 Ų334.9 Ų34.92%0.01821%0.205CC..Hα-helixtrans-64.7-40.8178-63.70000111.7T221 S222 A228 M229 D261 L262 A265T221-T225 HydrophobicContact CG2-CG2 3.7Å; S222-T225 PolarHBondContact O-N 3.23Å; S222-T225 VanDerWaalsContact OG-CB 3.32Å; S222-T225 WeakPolarHBondContact OG-CB 3.24Å; S222-T225 PolarHBondContact OG-N 3.48Å; S222-T225 PolarHBondContact OG-OG1 3.25Å; T225-A228 PolarHBondContact O-N 2.82Å; T225-M229 WeakPolarHBondContact O-CB 3.3Å; T225-M229 PolarHBondContact O-N 2.99Å; T225-D261 HydrophobicContact CG2-CB 4.08Å; T225-D261 VanDerWaalsContact OG1-CB 3.31Å; T225-D261 WeakPolarHBondContact OG1-CB 3.39Å; T225-L262 HydrophobicContact CG2-CB 4.35Å; T225-L262 HydrophobicContact CG2-CD1 4.08Å; T225-A265 HydrophobicContact CG2-CB 3.73Å
226F94.7Very high92.5Very high1 Ų135.8 Ų35.80%0.00421%0.207CC..Hα-helixtrans-65.8-40.5177.4-170.4-108.8000112F178 V180 F185 F199 L218 T221 S222 A223 A224 M229 L230F178-F226 HydrophobicContact CB-CE1 3.65Å; F178-F226 HydrophobicContact CB-CZ 3.73Å; F178-F226 HydrophobicContact CD1-CZ 4.08Å; F178-F226 HydrophobicContact CD2-CE1 4.37Å; F178-F226 AromaticContact CD2-CZ 3.92Å; F178-F226 HydrophobicContact CD2-CZ 3.92Å; F178-F226 HydrophobicContact CG-CE1 4.05Å; F178-F226 AromaticContact CG-CZ 3.62Å; F178-F226 HydrophobicContact CG-CZ 3.62Å; V180-F226 HydrophobicContact CB-CD1 4.48Å; V180-F226 HydrophobicContact CG1-CB 4.16Å; V180-F226 HydrophobicContact CG2-CB 4.24Å; V180-F226 HydrophobicContact CG2-CD1 3.52Å; V180-F226 HydrophobicContact CG2-CD2 4.41Å; V180-F226 HydrophobicContact CG2-CE1 3.9Å; V180-F226 HydrophobicContact CG2-CG 3.8Å; F185-F226 HydrophobicContact CB-CD1 4.24Å; F185-F226 HydrophobicContact CB-CE1 3.8Å; F185-F226 HydrophobicContact CD1-CD1 4.16Å; F185-F226 AromaticContact CD2-CD1 3.75Å; F185-F226 HydrophobicContact CD2-CD1 3.75Å; F185-F226 HydrophobicContact CD2-CE1 4.06Å; F185-F226 HydrophobicContact CE1-CD1 4.49Å; F185-F226 HydrophobicContact CE2-CD1 4.11Å; F185-F226 AromaticContact CG-CD1 3.77Å; F185-F226 HydrophobicContact CG-CD1 3.77Å; F185-F226 AromaticContact CG-CE1 3.87Å; F185-F226 HydrophobicContact CG-CE1 3.87Å; F185-F226 HydrophobicContact CZ-CD1 4.47Å; F199-F226 HydrophobicContact CZ-CE2 4.23Å; L218-F226 HydrophobicContact CD1-CD2 4.14Å; L218-F226 HydrophobicContact CD1-CE2 3.55Å; L218-F226 HydrophobicContact CD1-CZ 4.11Å; L218-F226 HydrophobicContact CD2-CD2 3.88Å; L218-F226 HydrophobicContact CD2-CE2 4.16Å; L218-F226 HydrophobicContact CG-CE2 4.43Å; T221-F226 HydrophobicContact CG2-CB 4.14Å; S222-F226 WeakPolarHBondContact O-CB 3.25Å; S222-F226 PolarHBondContact O-N 2.91Å; A223-F226 PolarHBondContact O-N 2.79Å; A224-F226 PolarHBondContact O-N 2.94Å; F226-M229 HydrophobicContact CD2-CE 3.5Å; F226-M229 HydrophobicContact CE2-CE 3.47Å; F226-M229 VanDerWaalsContact CE2-CE 3.47Å; F226-M229 PolarHBondContact O-N 3.27Å; F226-L230 HydrophobicContact CD1-CD1 3.63Å; F226-L230 HydrophobicContact CD1-CG 4.45Å; F226-L230 HydrophobicContact CE1-CD1 3.19Å; F226-L230 HydrophobicContact CE1-CG 4.01Å; F226-L230 HydrophobicContact CZ-CD1 3.81Å; F226-L230 HydrophobicContact CZ-CG 4.17Å; F226-L230 WeakPolarHBondContact O-CB 3.25Å; F226-L230 PolarHBondContact O-N 3.13Å
227R94.3Very high92.4Very high110 Ų11037.6 Ų37.642%0.41522%0.222SC..Hα-helixtrans-60-46.8174.7-169.2-178.2-60.1135.93.5111.5E183 F185 A223 A224 L230 R231E183-R227 IonicContact OE1-NH2 2.8Å; E183-R227 PolarHBondContact OE1-NH2 3.14Å; E183-R227 IonicContact OE2-CZ 3.5Å; E183-R227 IonicContact OE2-NH2 2.83Å; E183-R227 PolarHBondContact OE2-NH2 2.85Å; F185-R227 HydrophobicContact CE1-CB 3.89Å; F185-R227 HydrophobicContact CE1-CG 4.18Å; F185-R227 HydrophobicContact CZ-CB 4.46Å; A223-R227 VanDerWaalsContact O-CB 3.31Å; A223-R227 WeakPolarHBondContact O-CB 3.26Å; A223-R227 PolarHBondContact O-N 2.97Å; A224-R227 PolarHBondContact O-N 3.31Å; R227-L230 PolarHBondContact O-N 2.77Å; R227-R231 WeakPolarHBondContact O-CB 3.36Å; R227-R231 PolarHBondContact O-N 2.96Å
228A93.3Very high91.7Very high14 Ų1435 Ų3512%0.11621%0.206CC..Hα-helixtrans-61.3-44.9176.700000111.9A224 T225 R231 F232 P239 L262A224-A228 PolarHBondContact O-N 2.82Å; T225-A228 PolarHBondContact O-N 2.82Å; A228-R231 PolarHBondContact O-N 3.42Å; A228-F232 PolarHBondContact O-N 2.87Å; A228-P239 HydrophobicContact CB-CB 3.93Å; A228-P239 HydrophobicContact CB-CG 3.95Å; A228-L262 HydrophobicContact CB-CD1 4.08Å; A228-L262 HydrophobicContact CB-CD2 4.32Å
229M95.1Very high90.7Very high1 Ų136.1 Ų36.11%0.00521%0.214CC..Hα-helixtrans-63.5-44.5176.6-174.4-175.472.100112.3F199 T225 F226 F232 M233 L262 A265 F269 L271 L274F199-M229 HydrophobicContact CE2-CE 4.07Å; F199-M229 HydrophobicContact CZ-CE 4.15Å; T225-M229 WeakPolarHBondContact O-CB 3.3Å; T225-M229 PolarHBondContact O-N 2.99Å; F226-M229 HydrophobicContact CD2-CE 3.5Å; F226-M229 HydrophobicContact CE2-CE 3.47Å; F226-M229 VanDerWaalsContact CE2-CE 3.47Å; F226-M229 PolarHBondContact O-N 3.27Å; M229-F232 WeakPolarHBondContact O-CB 3.47Å; M229-F232 PolarHBondContact O-N 2.97Å; M229-M233 HydrophobicContact CE-CE 4.22Å; M229-M233 HydrophobicContact CG-CE 4.16Å; M229-M233 WeakPolarHBondContact O-CG 3.26Å; M229-M233 PolarHBondContact O-N 2.94Å; M229-M233 HydrophobicContact SD-CE 4.2Å; M229-L262 HydrophobicContact CB-CD1 4.04Å; M229-A265 HydrophobicContact SD-CB 4.12Å; M229-F269 HydrophobicContact CE-CD2 3.6Å; M229-F269 HydrophobicContact CE-CE2 3.79Å; M229-F269 HydrophobicContact CE-CG 4.02Å; M229-F269 HydrophobicContact CE-CZ 4.37Å; M229-F269 HydrophobicContact SD-CB 3.99Å; M229-F269 HydrophobicContact SD-CD2 3.29Å; M229-F269 WeakPolarHBondContact SD-CD2 3.43Å; M229-F269 HydrophobicContact SD-CE2 3.99Å; M229-F269 HydrophobicContact SD-CG 3.81Å; M229-L271 HydrophobicContact CG-CD1 3.56Å; M229-L271 HydrophobicContact SD-CD1 3.78Å; M229-L274 HydrophobicContact CG-CD2 4.16Å
230L95Very high89.3Confident3 Ų332.5 Ų32.52%0.01620%0.197CC..Hα-helixtrans-58-50.8175.6-101.6165.4000110.6L168 F185 A187 L192 F226 R227 F232 M233 Y234L168-L230 HydrophobicContact CD1-CD2 4.04Å; L168-L230 HydrophobicContact CD2-CB 4.25Å; F185-L230 HydrophobicContact CB-CD1 3.81Å; F185-L230 HydrophobicContact CD1-CD1 3.94Å; F185-L230 HydrophobicContact CG-CD1 4.11Å; A187-L230 HydrophobicContact CB-CD2 4.01Å; L192-L230 HydrophobicContact CD2-CD2 3.86Å; F226-L230 HydrophobicContact CD1-CD1 3.63Å; F226-L230 HydrophobicContact CD1-CG 4.45Å; F226-L230 HydrophobicContact CE1-CD1 3.19Å; F226-L230 HydrophobicContact CE1-CG 4.01Å; F226-L230 HydrophobicContact CZ-CD1 3.81Å; F226-L230 HydrophobicContact CZ-CG 4.17Å; F226-L230 WeakPolarHBondContact O-CB 3.25Å; F226-L230 PolarHBondContact O-N 3.13Å; R227-L230 PolarHBondContact O-N 2.77Å; L230-F232 VanDerWaalsContact C-N 3.25Å; L230-F232 PolarHBondContact O-N 3.2Å; L230-M233 WeakPolarHBondContact O-CB 3.34Å; L230-M233 PolarHBondContact O-N 3.48Å; L230-Y234 HydrophobicContact CD2-CD2 4.3Å; L230-Y234 HydrophobicContact CD2-CE2 3.77Å; L230-Y234 WeakPolarHBondContact O-CD2 3.23Å; L230-Y234 PolarHBondContact O-N 3.33Å
231R94.3Very high87.5Confident104 Ų10436.9 Ų36.939%0.39220%0.197SC..Hα-helixtrans-54.6-44.1177-177.7178.6176.5145.75.9111.5R227 A228 M233 Y234 T235R227-R231 WeakPolarHBondContact O-CB 3.36Å; R227-R231 PolarHBondContact O-N 2.96Å; A228-R231 PolarHBondContact O-N 3.42Å; R231-M233 PolarHBondContact O-N 2.68Å; R231-Y234 PolarHBondContact O-N 2.91Å; R231-T235 HydrophobicContact CG-CG2 4.4Å; R231-T235 WeakPolarHBondContact O-CB 3.4Å; R231-T235 WeakPolarHBondContact O-CG2 3.35Å; R231-T235 PolarHBondContact O-N 2.67Å; R231-T235 PolarHBondContact O-OG1 3.3Å
232F95.2Very high84.8Confident2 Ų238.2 Ų38.21%0.00921%0.209CC..Hα-helixtrans-60.7-42.2175.3174.9-91.5000112.5A228 M229 L230 Y234 T235 D236 A237 R273 L274 L277A228-F232 PolarHBondContact O-N 2.87Å; M229-F232 WeakPolarHBondContact O-CB 3.47Å; M229-F232 PolarHBondContact O-N 2.97Å; L230-F232 VanDerWaalsContact C-N 3.25Å; L230-F232 PolarHBondContact O-N 3.2Å; F232-Y234 VanDerWaalsContact C-N 3.27Å; F232-Y234 PolarHBondContact O-N 3.22Å; F232-T235 PolarHBondContact O-N 2.92Å; F232-D236 VanDerWaalsContact CZ-OD1 3.28Å; F232-D236 WeakPolarHBondContact CZ-OD1 3.17Å; F232-D236 VanDerWaalsContact O-CA 3.26Å; F232-D236 WeakPolarHBondContact O-CA 3.33Å; F232-D236 PolarHBondContact O-N 2.67Å; F232-A237 WeakPolarHBondContact CD2-O 3.48Å; F232-R273 HydrophobicContact CZ-CB 4.1Å; F232-R273 HydrophobicContact CZ-CG 4.2Å; F232-L274 HydrophobicContact CB-CD1 4.22Å; F232-L274 HydrophobicContact CB-CD2 4.22Å; F232-L274 HydrophobicContact CD1-CB 3.78Å; F232-L274 HydrophobicContact CD1-CD1 4.31Å; F232-L274 HydrophobicContact CD1-CD2 3.9Å; F232-L274 HydrophobicContact CD1-CG 4.22Å; F232-L274 HydrophobicContact CD2-CB 4.3Å; F232-L274 HydrophobicContact CD2-CD1 3.77Å; F232-L274 HydrophobicContact CD2-CG 4.48Å; F232-L274 HydrophobicContact CE1-CB 3.61Å; F232-L274 HydrophobicContact CE2-CB 4.13Å; F232-L274 HydrophobicContact CE2-CD1 4.23Å; F232-L274 HydrophobicContact CG-CB 4.14Å; F232-L274 HydrophobicContact CG-CD1 3.81Å; F232-L274 HydrophobicContact CG-CD2 4.03Å; F232-L274 HydrophobicContact CG-CG 4.21Å; F232-L274 HydrophobicContact CZ-CB 3.79Å; F232-L277 HydrophobicContact CD2-CD1 4.48Å; F232-L277 HydrophobicContact CE2-CD1 3.82Å
233M95.7Very high82.1Confident3 Ų344.1 Ų44.12%0.01524%0.238CC..Hα-helixtrans-60.1-38.2179.1-71.2-166.8179.100112.6L192 R195 F199 M229 L230 R231 F269 L271L192-M233 HydrophobicContact CD2-CB 4.48Å; L192-M233 HydrophobicContact CD2-SD 3.42Å; L192-M233 WeakPolarHBondContact CD2-SD 3.3Å; R195-M233 HydrophobicContact CB-CB 4.26Å; R195-M233 HydrophobicContact CB-CG 4.2Å; R195-M233 HydrophobicContact CB-SD 4.39Å; R195-M233 HydrophobicContact CG-CB 4.36Å; R195-M233 WeakPolarHBondContact CG-O 3.23Å; R195-M233 PolarHBondContact NE-O 3.04Å; F199-M233 HydrophobicContact CD2-CE 3.59Å; F199-M233 HydrophobicContact CD2-SD 3.87Å; F199-M233 HydrophobicContact CE2-CE 3.39Å; F199-M233 HydrophobicContact CE2-SD 3.81Å; M229-M233 HydrophobicContact CE-CE 4.22Å; M229-M233 HydrophobicContact CG-CE 4.16Å; M229-M233 WeakPolarHBondContact O-CG 3.26Å; M229-M233 PolarHBondContact O-N 2.94Å; M229-M233 HydrophobicContact SD-CE 4.2Å; L230-M233 WeakPolarHBondContact O-CB 3.34Å; L230-M233 PolarHBondContact O-N 3.48Å; R231-M233 PolarHBondContact O-N 2.68Å; M233-F269 HydrophobicContact CE-CB 4.4Å; M233-L271 HydrophobicContact CE-CD1 3.43Å; M233-L271 VanDerWaalsContact CE-CD1 3.43Å; M233-L271 HydrophobicContact CE-CD2 3.65Å; M233-L271 HydrophobicContact CE-CG 3.99Å
234Y95.3Very high79.3Confident3 Ų349.8 Ų49.81%0.01227%0.268CS..Hα-helixtrans-81.1-36.3-179.7-79.1-96.5000113.6L164 L168 H188 V191 L192 L230 R231 F232L164-Y234 HydrophobicContact CB-CD1 4.15Å; L164-Y234 VanDerWaalsContact CB-O 3.3Å; L164-Y234 WeakPolarHBondContact CB-O 3.44Å; L164-Y234 WeakPolarHBondContact O-CD1 3.36Å; L168-Y234 HydrophobicContact CB-CD1 3.9Å; L168-Y234 HydrophobicContact CB-CD2 4Å; L168-Y234 HydrophobicContact CB-CE1 4.12Å; L168-Y234 HydrophobicContact CB-CE2 4.23Å; L168-Y234 HydrophobicContact CB-CG 3.84Å; L168-Y234 HydrophobicContact CD1-CD2 4.13Å; L168-Y234 HydrophobicContact CD1-CE2 3.81Å; L168-Y234 HydrophobicContact CD2-CD2 3.8Å; L168-Y234 HydrophobicContact CD2-CE2 4.34Å; L168-Y234 HydrophobicContact CD2-CG 4.17Å; L168-Y234 HydrophobicContact CG-CD2 4.19Å; L168-Y234 HydrophobicContact CG-CE2 4.35Å; L168-Y234 HydrophobicContact CG-CG 4.48Å; H188-Y234 VanDerWaalsContact CB-OH 3.27Å; H188-Y234 WeakPolarHBondContact CB-OH 3.45Å; H188-Y234 PolarHBondContact N-OH 2.97Å; H188-Y234 AromaticContact ND1-CE1 3.71Å; H188-Y234 AromaticContact ND1-CZ 3.63Å; H188-Y234 PolarHBondContact ND1-OH 3.4Å; V191-Y234 HydrophobicContact CB-CE1 4.06Å; V191-Y234 HydrophobicContact CG1-CD1 3.94Å; V191-Y234 HydrophobicContact CG1-CD2 4.32Å; V191-Y234 HydrophobicContact CG1-CE1 3.78Å; V191-Y234 HydrophobicContact CG1-CE2 4.17Å; V191-Y234 HydrophobicContact CG1-CG 4.22Å; V191-Y234 HydrophobicContact CG2-CE1 3.98Å; L192-Y234 HydrophobicContact CD2-CE2 4.33Å; L230-Y234 HydrophobicContact CD2-CD2 4.3Å; L230-Y234 HydrophobicContact CD2-CE2 3.77Å; L230-Y234 WeakPolarHBondContact O-CD2 3.23Å; L230-Y234 PolarHBondContact O-N 3.33Å; R231-Y234 PolarHBondContact O-N 2.91Å; F232-Y234 VanDerWaalsContact C-N 3.27Å; F232-Y234 PolarHBondContact O-N 3.22Å
235T92.5Very high76.6Confident26 Ų2652.2 Ų52.216%0.1628%0.281CS..Hα-helixtrans-111-16.3-167.465.20000114.3G161 R231 F232 A237G161-T235 WeakPolarHBondContact O-CG2 3.47Å; R231-T235 HydrophobicContact CG-CG2 4.4Å; R231-T235 WeakPolarHBondContact O-CB 3.4Å; R231-T235 WeakPolarHBondContact O-CG2 3.35Å; R231-T235 PolarHBondContact O-N 2.67Å; R231-T235 PolarHBondContact O-OG1 3.3Å; F232-T235 PolarHBondContact O-N 2.92Å; T235-A237 PolarHBondContact O-N 2.91Å; T235-A237 VanDerWaalsContact O-N 3.11Å; T235-A237 WeakPolarHBondContact OG1-CB 3.47Å; T235-A237 PolarHBondContact OG1-N 2.85Å
236D91.1Very high73.9Confident56 Ų5658.9 Ų58.930%0.29932%0.316SS..  trans56.417.9-170.8-153.240.6000113.1R195 F232 R273R195-D236 IonicContact CZ-OD1 2.8Å; R195-D236 IonicContact NH2-OD1 3.21Å; R195-D236 PolarHBondContact NH2-OD1 3.19Å; F232-D236 VanDerWaalsContact CZ-OD1 3.28Å; F232-D236 WeakPolarHBondContact CZ-OD1 3.17Å; F232-D236 VanDerWaalsContact O-CA 3.26Å; F232-D236 WeakPolarHBondContact O-CA 3.33Å; F232-D236 PolarHBondContact O-N 2.67Å; D236-R273 PolarHBondContact O-NH1 2.98Å; D236-R273 IonicContact OD1-CZ 2.62Å; D236-R273 IonicContact OD1-NH1 3.02Å; D236-R273 PolarHBondContact OD1-NH1 2.86Å; D236-R273 IonicContact OD2-CZ 2.64Å; D236-R273 IonicContact OD2-NE 2.7Å; D236-R273 IonicContact OD2-NH1 3.51Å; D236-R273 PolarHBondContact OD2-NH1 3.37Å; D236-R273 IonicContact OD2-NH2 3.58Å; D236-R273 PolarHBondContact OD2-NH2 3.36Å
237A86.7Confident71.4Confident40 Ų4063.4 Ų63.433%0.33135%0.349SS..  trans-96.9142.9179.200000111.7F232 T235F232-A237 WeakPolarHBondContact CD2-O 3.48Å; T235-A237 PolarHBondContact O-N 2.91Å; T235-A237 VanDerWaalsContact O-N 3.11Å; T235-A237 WeakPolarHBondContact OG1-CB 3.47Å; T235-A237 PolarHBondContact OG1-N 2.85Å
238C77.1Confident68.7Low23 Ų2366.5 Ų66.516%0.15537%0.373CS..  trans-69.2140.3175.7-163.30000109.5E240 L277C238-E240 PolarHBondContact O-N 3.34Å; C238-L277 HydrophobicContact CB-CD1 4.33Å
239P69.4Low66.3Low32 Ų3269.3 Ų69.321%0.20839%0.392CS..THydrogen-bonded Turntrans-66.720.7-174.63.6-5.2000117.5A228 L262A228-P239 HydrophobicContact CB-CB 3.93Å; A228-P239 HydrophobicContact CB-CG 3.95Å; P239-L262 HydrophobicContact CG-CD2 3.34Å
240E60Low63.8Low71 Ų7177.7 Ų77.733%0.33244%0.437SS..THydrogen-bonded Turntrans-113.89.3-169.3-97.7173.1138.800115.6C238 F259 K281C238-E240 PolarHBondContact O-N 3.34Å; E240-F259 HydrophobicContact CG-CE2 3.86Å; E240-F259 HydrophobicContact CG-CZ 3.56Å; E240-F259 WeakPolarHBondContact OE1-CE2 3.49Å; E240-F259 WeakPolarHBondContact OE1-CZ 3.34Å; E240-F259 WeakPolarHBondContact OE2-CZ 3.47Å; E240-K281 VanDerWaalsContact CD-NZ 3.32Å; E240-K281 IonicContact OE1-NZ 3.03Å; E240-K281 WeakPolarHBondContact OE2-CD 3.46Å; E240-K281 WeakPolarHBondContact OE2-CE 3.02Å; E240-K281 VanDerWaalsContact OE2-CG 3.29Å; E240-K281 WeakPolarHBondContact OE2-CG 3.2Å; E240-K281 IonicContact OE2-NZ 2.74Å; E240-K281 PolarHBondContact OE2-NZ 2.83Å
241E47.7Very low61.6Low169 Ų16981.3 Ų81.379%0.7946%0.463SS*.  trans-123.818-172.9-64.8-178.3-178.400113.7
242A35.3Very low59.5Low42 Ų4284.5 Ų84.535%0.34749%0.488SS..  trans-108.6106.7173.800000112.2D244A242-D244 PolarHBondContact O-N 3.05Å; A242-D244 VanDerWaalsContact O-N 3.13Å
243D33.8Very low57.6Low163 Ų16387.2 Ų87.287%0.87251%0.507SS*.  trans-67.313.6166.7-78.5-35.3000114.2S245D243-S245 PolarHBondContact O-N 3.2Å; D243-S245 VanDerWaalsContact O-N 3.12Å
244D34.1Very low56.2Low125 Ų12589.9 Ų89.967%0.66853%0.526SS*.  trans-96.379.9-165.6-61.1-37.7000112.9A242 D246A242-D244 PolarHBondContact O-N 3.05Å; A242-D244 VanDerWaalsContact O-N 3.13Å; D244-D246 VanDerWaalsContact C-N 3.28Å; D244-D246 PolarHBondContact O-N 3.42Å
245S35Very low54.7Low106 Ų10694 Ų9474%0.74155%0.553SS**  48.5-7.7125.968.90000124.1D243D243-S245 PolarHBondContact O-N 3.2Å; D243-S245 VanDerWaalsContact O-N 3.12Å
246D36.7Very low53.7Low142 Ų14293.6 Ų93.676%0.75955%0.554SS**  trans-113.429.2-172.7-71.5-1.8000114.4D244 D248D244-D246 VanDerWaalsContact C-N 3.28Å; D244-D246 PolarHBondContact O-N 3.42Å; D246-D248 PolarHBondContact O-N 3.05Å
247S41.2Very low53.1Low97 Ų9795.8 Ų95.868%0.67856%0.562SS**  trans-96.884.9177-53.90000111.8S249S247-S249 PolarHBondContact O-N 3.42Å
248D38Very low53Low174 Ų17496.2 Ų96.293%0.9356%0.558SS**  trans-70.343.4154-80-29.2000110.5D246D246-D248 PolarHBondContact O-N 3.05Å
249S44.1Very low53.6Low74 Ų7495.1 Ų95.152%0.51755%0.551SS.*  trans-11297.9-172.6-52.90000110.2S247 S251S247-S249 PolarHBondContact O-N 3.42Å; S249-S251 PolarHBondContact O-N 3.08Å
250D41.9Very low54.6Low176 Ų17695.3 Ų95.394%0.94155%0.549SS*.  trans-61.634.4164.1-71.6-41.7000112.9D252D250-D252 PolarHBondContact O-N 3.41Å
251S49.3Very low56.1Low80 Ų8096 Ų9656%0.55955%0.554SS**  trans-85101.6-179.9-158.50000108.7S249 S253S249-S251 PolarHBondContact O-N 3.08Å; S251-S253 PolarHBondContact O-N 2.87Å; S251-S253 PolarHBondContact OG-OG 2.85Å; S251-S253 VanDerWaalsContact OG-OG 3.11Å
252D50.2Low58.3Low171 Ų17187.9 Ų87.991%0.91452%0.517SS*.  trans-63.317.8172.3-150.517.8000113.3D250D250-D252 PolarHBondContact O-N 3.41Å
253S54.9Low61Low59 Ų5985.9 Ų85.941%0.41350%0.5SS..  trans-84.2120.2-172.9-61.40000109.9S251 E257S251-S253 PolarHBondContact O-N 2.87Å; S251-S253 PolarHBondContact OG-OG 2.85Å; S251-S253 VanDerWaalsContact OG-OG 3.11Å; S253-E257 VanDerWaalsContact CA-OE2 3.31Å; S253-E257 WeakPolarHBondContact CA-OE2 3.46Å; S253-E257 WeakPolarHBondContact CB-OE2 3.4Å
254S66.1Low63.9Low59 Ų5979.3 Ų79.341%0.41347%0.468SS..  trans-59.8152.7175.679.40000110.3G256 E257S254-G256 PolarHBondContact O-N 2.92Å; S254-E257 PolarHBondContact O-N 3.07Å
255P64.4Low66.8Low89 Ų8973.5 Ų73.558%0.57844%0.437SS*.Hα-helixtrans-51.6-31176.4-26.233000113.1F259P255-F259 WeakPolarHBondContact O-CD2 3.38Å; P255-F259 PolarHBondContact O-N 3.09Å
256G71.5Confident69.7Low18 Ų1868.4 Ų68.419%0.18640%0.402CS..Hα-helixtrans-63.8-43.6176.700000113.3S254 M258 F259 H260S254-G256 PolarHBondContact O-N 2.92Å; G256-M258 PolarHBondContact O-N 2.7Å; G256-F259 PolarHBondContact O-N 3.13Å; G256-F259 VanDerWaalsContact O-N 3.17Å; G256-H260 PolarHBondContact O-CD2 3.23Å; G256-H260 PolarHBondContact O-N 2.87Å; G256-H260 VanDerWaalsContact O-N 3.08Å
257E78.3Confident72.4Confident102 Ų10264.7 Ų64.748%0.47738%0.382SS..Hα-helixtrans-62.7-42.1-179.2-69.3-178.9169.400111.8S253 S254 F259 H260 D261S253-E257 VanDerWaalsContact CA-OE2 3.31Å; S253-E257 WeakPolarHBondContact CA-OE2 3.46Å; S253-E257 WeakPolarHBondContact CB-OE2 3.4Å; S254-E257 PolarHBondContact O-N 3.07Å; E257-F259 VanDerWaalsContact C-N 3.27Å; E257-F259 PolarHBondContact O-N 3.5Å; E257-H260 WeakPolarHBondContact O-CB 3.48Å; E257-H260 PolarHBondContact O-N 3.41Å; E257-H260 VanDerWaalsContact O-N 3.1Å; E257-D261 PolarHBondContact O-N 3.39Å; E257-D261 VanDerWaalsContact O-N 3.08Å
258M84.2Confident75Confident48 Ų4865.7 Ų65.724%0.23637%0.371CS..Hα-helixtrans-58.4-40.7175.9-174.3-81.4-66.500111.7G256 D261 L262G256-M258 PolarHBondContact O-N 2.7Å; M258-D261 PolarHBondContact O-N 3.32Å; M258-L262 VanDerWaalsContact O-CB 3.24Å; M258-L262 WeakPolarHBondContact O-CB 3.48Å; M258-L262 PolarHBondContact O-N 2.8Å; M258-L262 HydrophobicContact SD-CB 4.27Å; M258-L262 HydrophobicContact SD-CD2 4.06Å
259F89.7Confident77.7Confident1 Ų157.6 Ų57.60%0.00433%0.327CS..Hα-helixtrans-72-28177.4-80.5-66.4000114.2E240 P255 G256 E257 L262 L263 C278 K281 L282E240-F259 HydrophobicContact CG-CE2 3.86Å; E240-F259 HydrophobicContact CG-CZ 3.56Å; E240-F259 WeakPolarHBondContact OE1-CE2 3.49Å; E240-F259 WeakPolarHBondContact OE1-CZ 3.34Å; E240-F259 WeakPolarHBondContact OE2-CZ 3.47Å; P255-F259 WeakPolarHBondContact O-CD2 3.38Å; P255-F259 PolarHBondContact O-N 3.09Å; G256-F259 PolarHBondContact O-N 3.13Å; G256-F259 VanDerWaalsContact O-N 3.17Å; E257-F259 VanDerWaalsContact C-N 3.27Å; E257-F259 PolarHBondContact O-N 3.5Å; F259-L262 HydrophobicContact CD1-CD2 4.47Å; F259-L262 HydrophobicContact CE1-CD2 4.4Å; F259-L263 WeakPolarHBondContact O-CB 3.27Å; F259-L263 PolarHBondContact O-N 2.99Å; F259-C278 HydrophobicContact CD1-CB 4.08Å; F259-K281 HydrophobicContact CD1-CB 4.02Å; F259-K281 HydrophobicContact CD2-CB 4.07Å; F259-K281 HydrophobicContact CE1-CB 3.97Å; F259-K281 HydrophobicContact CE1-CG 4.06Å; F259-K281 HydrophobicContact CE2-CB 4.05Å; F259-K281 HydrophobicContact CE2-CG 4.42Å; F259-K281 HydrophobicContact CG-CB 4.09Å; F259-K281 HydrophobicContact CZ-CB 4Å; F259-K281 HydrophobicContact CZ-CG 4Å; F259-L282 HydrophobicContact CB-CD2 3.65Å; F259-L282 HydrophobicContact CB-CG 3.88Å
260H90.2Very high80.2Confident36 Ų3657.4 Ų57.417%0.16732%0.321CS..Hα-helixtrans-65-49.2171.5-73.6-69.5000110.8G256 E257 L262 L263 A264 C297G256-H260 PolarHBondContact O-CD2 3.23Å; G256-H260 PolarHBondContact O-N 2.87Å; G256-H260 VanDerWaalsContact O-N 3.08Å; E257-H260 WeakPolarHBondContact O-CB 3.48Å; E257-H260 PolarHBondContact O-N 3.41Å; E257-H260 VanDerWaalsContact O-N 3.1Å; H260-L262 VanDerWaalsContact C-N 3.35Å; H260-L262 PolarHBondContact O-N 2.87Å; H260-L263 WeakPolarHBondContact O-CB 3.49Å; H260-L263 PolarHBondContact O-N 2.71Å; H260-A264 PolarHBondContact O-N 3.21Å; H260-C297 PolarHBondContact ND1-SG 3.04Å
261D91.1Very high82.8Confident84 Ų8449.4 Ų49.445%0.44928%0.278SS..Hα-helixtrans-63.8-41.4177.5-74.4-12.3000111.9T225 E257 M258 L263 A264 A265T225-D261 HydrophobicContact CG2-CB 4.08Å; T225-D261 VanDerWaalsContact OG1-CB 3.31Å; T225-D261 WeakPolarHBondContact OG1-CB 3.39Å; E257-D261 PolarHBondContact O-N 3.39Å; E257-D261 VanDerWaalsContact O-N 3.08Å; M258-D261 PolarHBondContact O-N 3.32Å; D261-L263 VanDerWaalsContact C-N 3.33Å; D261-L263 PolarHBondContact O-N 2.96Å; D261-A264 WeakPolarHBondContact O-CB 3.48Å; D261-A264 PolarHBondContact O-N 2.84Å; D261-A265 PolarHBondContact O-N 3.43Å
262L93.8Very high84.9Confident0 Ų050.8 Ų50.80%028%0.279CS..Hα-helixtrans-68.7-33.2178.2-169.262000112.2T225 A228 M229 P239 M258 F259 H260 A265 A266 L274 C278T225-L262 HydrophobicContact CG2-CB 4.35Å; T225-L262 HydrophobicContact CG2-CD1 4.08Å; A228-L262 HydrophobicContact CB-CD1 4.08Å; A228-L262 HydrophobicContact CB-CD2 4.32Å; M229-L262 HydrophobicContact CB-CD1 4.04Å; P239-L262 HydrophobicContact CG-CD2 3.34Å; M258-L262 VanDerWaalsContact O-CB 3.24Å; M258-L262 WeakPolarHBondContact O-CB 3.48Å; M258-L262 PolarHBondContact O-N 2.8Å; M258-L262 HydrophobicContact SD-CB 4.27Å; M258-L262 HydrophobicContact SD-CD2 4.06Å; F259-L262 HydrophobicContact CD1-CD2 4.47Å; F259-L262 HydrophobicContact CE1-CD2 4.4Å; H260-L262 VanDerWaalsContact C-N 3.35Å; H260-L262 PolarHBondContact O-N 2.87Å; L262-A265 PolarHBondContact O-N 3.12Å; L262-A266 VanDerWaalsContact O-CB 3.22Å; L262-A266 WeakPolarHBondContact O-CB 3.16Å; L262-A266 PolarHBondContact O-N 2.72Å; L262-L274 HydrophobicContact CD1-CD2 4.01Å; L262-L274 HydrophobicContact CD2-CD1 4.07Å; L262-L274 HydrophobicContact CG-CD1 4.33Å; L262-L274 HydrophobicContact CG-CD2 4.26Å; L262-L274 HydrophobicContact CG-CG 4.43Å; L262-C278 VanDerWaalsContact CG-SG 3.6Å
263L93.7Very high87Confident0 Ų048.7 Ų48.70%026%0.258CS..Hα-helixtrans-63.8-43.4171.7-177.266.7000110.9F259 H260 D261 A266 D267 K275 C278 L282 C297 Y301F259-L263 WeakPolarHBondContact O-CB 3.27Å; F259-L263 PolarHBondContact O-N 2.99Å; H260-L263 WeakPolarHBondContact O-CB 3.49Å; H260-L263 PolarHBondContact O-N 2.71Å; D261-L263 VanDerWaalsContact C-N 3.33Å; D261-L263 PolarHBondContact O-N 2.96Å; L263-A266 PolarHBondContact O-N 2.88Å; L263-D267 PolarHBondContact O-N 2.8Å; L263-K275 HydrophobicContact CD1-CB 4.33Å; L263-K275 HydrophobicContact CD1-CG 3.6Å; L263-K275 VanDerWaalsContact CD1-O 3.26Å; L263-K275 WeakPolarHBondContact CD1-O 3.45Å; L263-C278 HydrophobicContact CB-CB 3.94Å; L263-C278 HydrophobicContact CD1-CB 3.93Å; L263-L282 HydrophobicContact CD2-CD1 3.82Å; L263-C297 HydrophobicContact CD2-CB 4.24Å; L263-Y301 HydrophobicContact CB-CD2 4.41Å; L263-Y301 HydrophobicContact CD2-CD2 3.73Å; L263-Y301 HydrophobicContact CG-CD2 3.79Å; L263-Y301 HydrophobicContact CG-CG 4.3Å
264A93.8Very high88.9Confident24 Ų2445.9 Ų45.920%0.19824%0.239CC..Hα-helixtrans-60.6-45.8175.800000111.9H260 D261 D267 R268 Y301H260-A264 PolarHBondContact O-N 3.21Å; D261-A264 WeakPolarHBondContact O-CB 3.48Å; D261-A264 PolarHBondContact O-N 2.84Å; A264-D267 PolarHBondContact O-N 2.79Å; A264-R268 WeakPolarHBondContact O-CB 3.47Å; A264-R268 PolarHBondContact O-N 3.32Å; A264-Y301 HydrophobicContact CB-CD1 4.38Å; A264-Y301 HydrophobicContact CB-CE1 3.57Å; A264-Y301 HydrophobicContact CB-CE2 3.87Å; A264-Y301 VanDerWaalsContact CB-OH 3.23Å; A264-Y301 WeakPolarHBondContact CB-OH 3.35Å
265A94.7Very high90.2Very high3 Ų344.2 Ų44.23%0.02522%0.224CC..Hα-helixtrans-64.3-43.4176.200000111.6T221 T225 M229 D261 L262 D267 R268 F269T221-A265 HydrophobicContact CG2-CB 4.22Å; T225-A265 HydrophobicContact CG2-CB 3.73Å; M229-A265 HydrophobicContact SD-CB 4.12Å; D261-A265 PolarHBondContact O-N 3.43Å; L262-A265 PolarHBondContact O-N 3.12Å; A265-D267 VanDerWaalsContact C-N 3.32Å; A265-D267 PolarHBondContact O-N 2.94Å; A265-R268 PolarHBondContact O-N 2.84Å; A265-F269 VanDerWaalsContact O-CD2 3.26Å; A265-F269 WeakPolarHBondContact O-CD2 3.43Å; A265-F269 PolarHBondContact O-N 2.82Å
266A95.4Very high91.6Very high0 Ų044.5 Ų44.50%022%0.22CC..Hα-helixtrans-61.5-39.7179.400000112.5L262 L263 D270 L271 L274 K275L262-A266 VanDerWaalsContact O-CB 3.22Å; L262-A266 WeakPolarHBondContact O-CB 3.16Å; L262-A266 PolarHBondContact O-N 2.72Å; L263-A266 PolarHBondContact O-N 2.88Å; A266-D270 PolarHBondContact O-N 3.45Å; A266-L271 HydrophobicContact CB-CB 4.27Å; A266-L271 PolarHBondContact O-N 2.93Å; A266-L274 HydrophobicContact CB-CB 3.98Å; A266-L274 HydrophobicContact CB-CD2 3.93Å; A266-L274 HydrophobicContact CB-CG 3.8Å; A266-K275 HydrophobicContact CB-CB 3.93Å
267D95.2Very high92.5Very high63 Ų6345.3 Ų45.334%0.33722%0.22SC..Hα-helixtrans-65.3-48.7173.1-173.369.2000111.5L263 A264 A265 F269 D270 K275 Y301L263-D267 PolarHBondContact O-N 2.8Å; A264-D267 PolarHBondContact O-N 2.79Å; A265-D267 VanDerWaalsContact C-N 3.32Å; A265-D267 PolarHBondContact O-N 2.94Å; D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 PolarHBondContact O-N 2.81Å; D267-D270 PolarHBondContact O-N 2.91Å; D267-D270 VanDerWaalsContact O-N 3.11Å; D267-K275 HydrophobicContact CB-CD 4.36Å; D267-K275 WeakPolarHBondContact OD1-CE 3.46Å; D267-K275 IonicContact OD1-NZ 3.19Å; D267-K275 PolarHBondContact OD1-NZ 3.22Å; D267-Y301 HydrophobicContact CB-CD1 4.16Å; D267-Y301 HydrophobicContact CB-CG 4.42Å
268R94.5Very high93.2Very high118 Ų11840.5 Ų40.545%0.44520%0.198SC..Hα-helixtrans-58.1-39.2-179.8179.1-179.6177.3-178.82.2113.6H219 T221 A264 A265H219-R268 PolarHBondContact O-NH1 2.72Å; H219-R268 PolarHBondContact O-NH2 3.14Å; H219-R268 VanDerWaalsContact O-NH2 3.11Å; T221-R268 PolarHBondContact OG1-NH1 2.86Å; A264-R268 WeakPolarHBondContact O-CB 3.47Å; A264-R268 PolarHBondContact O-N 3.32Å; A265-R268 PolarHBondContact O-N 2.84Å
269F95.5Very high93.6Very high4 Ų438.6 Ų38.62%0.01819%0.19CC..THydrogen-bonded Turntrans-97.110.5-178.5-68-77.2000113.2S196 V198 F199 L218 M229 M233 A265 D267 L271S196-F269 VanDerWaalsContact CB-O 3.31Å; S196-F269 WeakPolarHBondContact CB-O 3.41Å; S196-F269 PolarHBondContact OG-O 2.86Å; V198-F269 HydrophobicContact CG1-CD1 4.22Å; F199-F269 HydrophobicContact CD1-CD1 4.31Å; F199-F269 HydrophobicContact CD1-CE1 4.27Å; F199-F269 HydrophobicContact CD2-CD1 4.18Å; F199-F269 AromaticContact CE1-CD1 3.83Å; F199-F269 HydrophobicContact CE1-CD1 3.83Å; F199-F269 AromaticContact CE1-CE1 3.49Å; F199-F269 HydrophobicContact CE1-CE1 3.49Å; F199-F269 VanDerWaalsContact CE1-CE1 3.49Å; F199-F269 HydrophobicContact CE1-CZ 4.45Å; F199-F269 AromaticContact CE2-CD1 3.7Å; F199-F269 HydrophobicContact CE2-CD1 3.7Å; F199-F269 HydrophobicContact CE2-CE1 4.07Å; F199-F269 HydrophobicContact CE2-CG 4.29Å; F199-F269 HydrophobicContact CG-CD1 4.46Å; F199-F269 AromaticContact CZ-CD1 3.49Å; F199-F269 HydrophobicContact CZ-CD1 3.49Å; F199-F269 VanDerWaalsContact CZ-CD1 3.49Å; F199-F269 AromaticContact CZ-CE1 3.36Å; F199-F269 HydrophobicContact CZ-CE1 3.36Å; F199-F269 HydrophobicContact CZ-CG 4.33Å; F199-F269 HydrophobicContact CZ-CZ 4.12Å; L218-F269 HydrophobicContact CD1-CE1 4.32Å; L218-F269 HydrophobicContact CD1-CZ 3.8Å; L218-F269 HydrophobicContact CD2-CE2 4.48Å; L218-F269 HydrophobicContact CD2-CZ 4.14Å; L218-F269 HydrophobicContact CG-CZ 4.28Å; M229-F269 HydrophobicContact CE-CD2 3.6Å; M229-F269 HydrophobicContact CE-CE2 3.79Å; M229-F269 HydrophobicContact CE-CG 4.02Å; M229-F269 HydrophobicContact CE-CZ 4.37Å; M229-F269 HydrophobicContact SD-CB 3.99Å; M229-F269 HydrophobicContact SD-CD2 3.29Å; M229-F269 WeakPolarHBondContact SD-CD2 3.43Å; M229-F269 HydrophobicContact SD-CE2 3.99Å; M229-F269 HydrophobicContact SD-CG 3.81Å; M233-F269 HydrophobicContact CE-CB 4.4Å; A265-F269 VanDerWaalsContact O-CD2 3.26Å; A265-F269 WeakPolarHBondContact O-CD2 3.43Å; A265-F269 PolarHBondContact O-N 2.82Å; D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 PolarHBondContact O-N 2.81Å; F269-L271 HydrophobicContact CB-CD1 4.08Å; F269-L271 HydrophobicContact CB-CG 4.14Å
270D95.8Very high93.7Very high71 Ų7146.1 Ų46.138%0.3822%0.218SC..THydrogen-bonded Turntrans56.155.2175.6-16421.4000112.6P197 V198 A266 D267P197-D270 WeakPolarHBondContact CG-OD2 3.18Å; V198-D270 HydrophobicContact CG2-CB 3.89Å; A266-D270 PolarHBondContact O-N 3.45Å; D267-D270 PolarHBondContact O-N 2.91Å; D267-D270 VanDerWaalsContact O-N 3.11Å
271L95.9Very high93.7Very high8 Ų847.4 Ų47.44%0.04222%0.223CC..  trans-111.969.3-177.7-58.9172.1000110.9R195 M229 M233 A266 F269 R273 L274 K275R195-L271 VanDerWaalsContact O-CD2 3.28Å; R195-L271 WeakPolarHBondContact O-CD2 3.5Å; M229-L271 HydrophobicContact CG-CD1 3.56Å; M229-L271 HydrophobicContact SD-CD1 3.78Å; M233-L271 HydrophobicContact CE-CD1 3.43Å; M233-L271 VanDerWaalsContact CE-CD1 3.43Å; M233-L271 HydrophobicContact CE-CD2 3.65Å; M233-L271 HydrophobicContact CE-CG 3.99Å; A266-L271 HydrophobicContact CB-CB 4.27Å; A266-L271 PolarHBondContact O-N 2.93Å; F269-L271 HydrophobicContact CB-CD1 4.08Å; F269-L271 HydrophobicContact CB-CG 4.14Å; L271-R273 VanDerWaalsContact C-N 3.28Å; L271-R273 PolarHBondContact O-N 2.91Å; L271-R273 VanDerWaalsContact O-N 3.11Å; L271-L274 HydrophobicContact CB-CB 3.94Å; L271-L274 HydrophobicContact CD1-CD2 3.93Å; L271-L274 PolarHBondContact O-N 2.8Å; L271-K275 WeakPolarHBondContact O-CB 3.31Å; L271-K275 PolarHBondContact O-N 2.97Å
272D93.6Very high93.7Very high108 Ų10843.6 Ų43.658%0.57820%0.203SC*.Hα-helixtrans-46.8-45.5-174.9-77-29.5000114.6K275 L276D272-K275 WeakPolarHBondContact O-CB 3.5Å; D272-K275 PolarHBondContact O-N 2.92Å; D272-L276 WeakPolarHBondContact O-CG 3.17Å; D272-L276 PolarHBondContact O-N 2.83Å
273R94.1Very high93.6Very high127 Ų12746.6 Ų46.648%0.47921%0.214SC..Hα-helixtrans-67.9-40.9-179.1-175.3170.3-178.9-85.96.2111.8F232 D236 L271 L276 L277F232-R273 HydrophobicContact CZ-CB 4.1Å; F232-R273 HydrophobicContact CZ-CG 4.2Å; D236-R273 PolarHBondContact O-NH1 2.98Å; D236-R273 IonicContact OD1-CZ 2.62Å; D236-R273 IonicContact OD1-NH1 3.02Å; D236-R273 PolarHBondContact OD1-NH1 2.86Å; D236-R273 IonicContact OD2-CZ 2.64Å; D236-R273 IonicContact OD2-NE 2.7Å; D236-R273 IonicContact OD2-NH1 3.51Å; D236-R273 PolarHBondContact OD2-NH1 3.37Å; D236-R273 IonicContact OD2-NH2 3.58Å; D236-R273 PolarHBondContact OD2-NH2 3.36Å; L271-R273 VanDerWaalsContact C-N 3.28Å; L271-R273 PolarHBondContact O-N 2.91Å; L271-R273 VanDerWaalsContact O-N 3.11Å; R273-L276 PolarHBondContact O-N 2.99Å; R273-L277 HydrophobicContact CG-CD1 4.47Å; R273-L277 VanDerWaalsContact O-CG 3.31Å; R273-L277 WeakPolarHBondContact O-CG 3.31Å; R273-L277 PolarHBondContact O-N 3.43Å
274L94.8Very high93.4Very high0 Ų051.5 Ų51.50%024%0.24CC..Hα-helixtrans-65.6-44.2175.6-177.856.8000110.6M229 F232 L262 A266 L271 L276 L277 C278M229-L274 HydrophobicContact CG-CD2 4.16Å; F232-L274 HydrophobicContact CB-CD1 4.22Å; F232-L274 HydrophobicContact CB-CD2 4.22Å; F232-L274 HydrophobicContact CD1-CB 3.78Å; F232-L274 HydrophobicContact CD1-CD1 4.31Å; F232-L274 HydrophobicContact CD1-CD2 3.9Å; F232-L274 HydrophobicContact CD1-CG 4.22Å; F232-L274 HydrophobicContact CD2-CB 4.3Å; F232-L274 HydrophobicContact CD2-CD1 3.77Å; F232-L274 HydrophobicContact CD2-CG 4.48Å; F232-L274 HydrophobicContact CE1-CB 3.61Å; F232-L274 HydrophobicContact CE2-CB 4.13Å; F232-L274 HydrophobicContact CE2-CD1 4.23Å; F232-L274 HydrophobicContact CG-CB 4.14Å; F232-L274 HydrophobicContact CG-CD1 3.81Å; F232-L274 HydrophobicContact CG-CD2 4.03Å; F232-L274 HydrophobicContact CG-CG 4.21Å; F232-L274 HydrophobicContact CZ-CB 3.79Å; L262-L274 HydrophobicContact CD1-CD2 4.01Å; L262-L274 HydrophobicContact CD2-CD1 4.07Å; L262-L274 HydrophobicContact CG-CD1 4.33Å; L262-L274 HydrophobicContact CG-CD2 4.26Å; L262-L274 HydrophobicContact CG-CG 4.43Å; A266-L274 HydrophobicContact CB-CB 3.98Å; A266-L274 HydrophobicContact CB-CD2 3.93Å; A266-L274 HydrophobicContact CB-CG 3.8Å; L271-L274 HydrophobicContact CB-CB 3.94Å; L271-L274 HydrophobicContact CD1-CD2 3.93Å; L271-L274 PolarHBondContact O-N 2.8Å; L274-L276 VanDerWaalsContact C-N 3.29Å; L274-L276 PolarHBondContact O-N 3.02Å; L274-L277 WeakPolarHBondContact O-CB 3.44Å; L274-L277 PolarHBondContact O-N 3.19Å; L274-C278 PolarHBondContact O-N 2.81Å; L274-C278 PolarHBondContact O-SG 2.81Å
275K93.8Very high92.9Very high24 Ų2454.6 Ų54.610%0.10425%0.253CS..Hα-helixtrans-55-45.1177.2-173.3179.1174.9175.90111.7L263 A266 D267 L271 D272 A279 Y301 N302 C303L263-K275 HydrophobicContact CD1-CB 4.33Å; L263-K275 HydrophobicContact CD1-CG 3.6Å; L263-K275 VanDerWaalsContact CD1-O 3.26Å; L263-K275 WeakPolarHBondContact CD1-O 3.45Å; A266-K275 HydrophobicContact CB-CB 3.93Å; D267-K275 HydrophobicContact CB-CD 4.36Å; D267-K275 WeakPolarHBondContact OD1-CE 3.46Å; D267-K275 IonicContact OD1-NZ 3.19Å; D267-K275 PolarHBondContact OD1-NZ 3.22Å; L271-K275 WeakPolarHBondContact O-CB 3.31Å; L271-K275 PolarHBondContact O-N 2.97Å; D272-K275 WeakPolarHBondContact O-CB 3.5Å; D272-K275 PolarHBondContact O-N 2.92Å; K275-A279 WeakPolarHBondContact O-CB 3.22Å; K275-A279 PolarHBondContact O-N 2.88Å; K275-Y301 WeakPolarHBondContact CE-O 3.26Å; K275-Y301 PolarHBondContact NZ-O 2.86Å; K275-N302 PolarHBondContact NZ-O 2.87Å; K275-C303 WeakPolarHBondContact CE-SG 3.13Å
276L93.1Very high92.6Very high96 Ų9655.6 Ų55.650%0.50326%0.259SS..Hα-helixtrans-68.5-34.9175.3-71.9173.6000113.7D272 R273 L274 R280D272-L276 WeakPolarHBondContact O-CG 3.17Å; D272-L276 PolarHBondContact O-N 2.83Å; R273-L276 PolarHBondContact O-N 2.99Å; L274-L276 VanDerWaalsContact C-N 3.29Å; L274-L276 PolarHBondContact O-N 3.02Å; L276-R280 WeakPolarHBondContact O-CB 3.48Å; L276-R280 PolarHBondContact O-N 3.22Å
277L92.2Very high92.1Very high35 Ų3558.1 Ų58.118%0.18328%0.276CS..Hα-helixtrans-65.8-47.2175-73.3170.7000111.1F232 C238 R273 L274 A279 R280 K281F232-L277 HydrophobicContact CD2-CD1 4.48Å; F232-L277 HydrophobicContact CE2-CD1 3.82Å; C238-L277 HydrophobicContact CB-CD1 4.33Å; R273-L277 HydrophobicContact CG-CD1 4.47Å; R273-L277 VanDerWaalsContact O-CG 3.31Å; R273-L277 WeakPolarHBondContact O-CG 3.31Å; R273-L277 PolarHBondContact O-N 3.43Å; L274-L277 WeakPolarHBondContact O-CB 3.44Å; L274-L277 PolarHBondContact O-N 3.19Å; L277-A279 PolarHBondContact O-N 3Å; L277-R280 WeakPolarHBondContact O-CB 3.45Å; L277-R280 PolarHBondContact O-N 3.15Å; L277-K281 PolarHBondContact O-N 3.19Å
278C92.8Very high91.5Very high0 Ų056.8 Ų56.80%027%0.268CS..Hα-helixtrans-59.2-47.3174.9-61.40000111F259 L262 L263 L274 R280 K281 L282F259-C278 HydrophobicContact CD1-CB 4.08Å; L262-C278 VanDerWaalsContact CG-SG 3.6Å; L263-C278 HydrophobicContact CB-CB 3.94Å; L263-C278 HydrophobicContact CD1-CB 3.93Å; L274-C278 PolarHBondContact O-N 2.81Å; L274-C278 PolarHBondContact O-SG 2.81Å; C278-R280 VanDerWaalsContact C-N 3.26Å; C278-R280 PolarHBondContact O-N 3.34Å; C278-K281 PolarHBondContact O-N 2.86Å; C278-K281 VanDerWaalsContact O-N 3.08Å; C278-L282 WeakPolarHBondContact O-CG 3.2Å; C278-L282 PolarHBondContact O-N 2.75Å
279A92.7Very high91Very high9 Ų956.1 Ų56.17%0.07427%0.274CS..Hα-helixtrans-58.5-38.3177.300000112.7K275 L277 W283 L306K275-A279 WeakPolarHBondContact O-CB 3.22Å; K275-A279 PolarHBondContact O-N 2.88Å; L277-A279 PolarHBondContact O-N 3Å; A279-W283 WeakPolarHBondContact O-CB 3.31Å; A279-W283 PolarHBondContact O-N 2.75Å; A279-L306 HydrophobicContact CB-CB 4.27Å; A279-L306 HydrophobicContact CB-CD2 3.95Å; A279-L306 WeakPolarHBondContact O-CD1 3.33Å
280R91.6Very high90.7Very high159 Ų15958.3 Ų58.360%0.629%0.287SS*.Hα-helixtrans-66-42.7175.2-176.3-176.2-62.7-175.7-0.1111.7L276 L277 C278 W283 N284L276-R280 WeakPolarHBondContact O-CB 3.48Å; L276-R280 PolarHBondContact O-N 3.22Å; L277-R280 WeakPolarHBondContact O-CB 3.45Å; L277-R280 PolarHBondContact O-N 3.15Å; C278-R280 VanDerWaalsContact C-N 3.26Å; C278-R280 PolarHBondContact O-N 3.34Å; R280-W283 PolarHBondContact O-N 3.46Å; R280-N284 VanDerWaalsContact O-CG 3.24Å; R280-N284 PolarHBondContact O-N 2.9Å; R280-N284 PolarHBondContact O-OD1 2.86Å
281K89.9Confident90.4Very high62 Ų6255 Ų5527%0.2727%0.269SS..Hα-helixtrans-68.9-42.2-179.2-72-67-176.31420112.3E240 F259 L277 C278 W283 N284 N285E240-K281 VanDerWaalsContact CD-NZ 3.32Å; E240-K281 IonicContact OE1-NZ 3.03Å; E240-K281 WeakPolarHBondContact OE2-CD 3.46Å; E240-K281 WeakPolarHBondContact OE2-CE 3.02Å; E240-K281 VanDerWaalsContact OE2-CG 3.29Å; E240-K281 WeakPolarHBondContact OE2-CG 3.2Å; E240-K281 IonicContact OE2-NZ 2.74Å; E240-K281 PolarHBondContact OE2-NZ 2.83Å; F259-K281 HydrophobicContact CD1-CB 4.02Å; F259-K281 HydrophobicContact CD2-CB 4.07Å; F259-K281 HydrophobicContact CE1-CB 3.97Å; F259-K281 HydrophobicContact CE1-CG 4.06Å; F259-K281 HydrophobicContact CE2-CB 4.05Å; F259-K281 HydrophobicContact CE2-CG 4.42Å; F259-K281 HydrophobicContact CG-CB 4.09Å; F259-K281 HydrophobicContact CZ-CB 4Å; F259-K281 HydrophobicContact CZ-CG 4Å; L277-K281 PolarHBondContact O-N 3.19Å; C278-K281 PolarHBondContact O-N 2.86Å; C278-K281 VanDerWaalsContact O-N 3.08Å; K281-W283 PolarHBondContact O-N 2.9Å; K281-N284 PolarHBondContact O-N 2.99Å; K281-N285 PolarHBondContact O-N 3.19Å; K281-N285 PolarHBondContact O-ND2 2.81Å
282L90.7Very high90.1Very high5 Ų554.6 Ų54.63%0.02627%0.267CS..Hα-helixtrans-55.8-51170.2-70172.3000110.9F259 L263 C278 N284 N285 V286 T294 L306F259-L282 HydrophobicContact CB-CD2 3.65Å; F259-L282 HydrophobicContact CB-CG 3.88Å; L263-L282 HydrophobicContact CD2-CD1 3.82Å; C278-L282 WeakPolarHBondContact O-CG 3.2Å; C278-L282 PolarHBondContact O-N 2.75Å; L282-N284 VanDerWaalsContact C-N 3.3Å; L282-N284 PolarHBondContact O-N 2.74Å; L282-N285 CarbonylContact O-C 3.54Å; L282-N285 PolarHBondContact O-N 3.48Å; L282-V286 WeakPolarHBondContact O-CG2 3.39Å; L282-V286 PolarHBondContact O-N 2.84Å; L282-T294 HydrophobicContact CB-CG2 4.04Å; L282-L306 HydrophobicContact CD1-CD2 4.48Å
283W91.8Very high89.9Confident63 Ų6351.2 Ų51.224%0.23925%0.249CC..Hα-helixtrans-57-40.5178.6177.9-101.7000113.7A279 R280 K281 N285 V286 L306 K309 F313A279-W283 WeakPolarHBondContact O-CB 3.31Å; A279-W283 PolarHBondContact O-N 2.75Å; R280-W283 PolarHBondContact O-N 3.46Å; K281-W283 PolarHBondContact O-N 2.9Å; W283-N285 PolarHBondContact O-N 2.82Å; W283-V286 HydrophobicContact CE3-CB 4.36Å; W283-V286 HydrophobicContact CE3-CG2 3.96Å; W283-V286 HydrophobicContact CZ3-CB 4.49Å; W283-V286 HydrophobicContact CZ3-CG1 4.35Å; W283-V286 HydrophobicContact CZ3-CG2 4.38Å; W283-V286 PolarHBondContact O-N 2.9Å; W283-L306 HydrophobicContact CB-CD1 3.75Å; W283-L306 HydrophobicContact CE3-CD1 4.24Å; W283-K309 HydrophobicContact CD2-CB 3.92Å; W283-K309 HydrophobicContact CD2-CD 3.62Å; W283-K309 HydrophobicContact CD2-CG 4.46Å; W283-K309 VanDerWaalsContact CE2-CD 3.48Å; W283-K309 HydrophobicContact CE3-CB 3.64Å; W283-K309 HydrophobicContact CE3-CD 4.24Å; W283-K309 HydrophobicContact CG-CD 3.9Å; W283-K309 HydrophobicContact CH2-CB 3.75Å; W283-K309 WeakPolarHBondContact CH2-O 3.09Å; W283-K309 HydrophobicContact CZ2-CB 4.02Å; W283-K309 HydrophobicContact CZ2-CD 3.95Å; W283-K309 HydrophobicContact CZ2-CG 4.48Å; W283-K309 VanDerWaalsContact CZ3-C 3.46Å; W283-K309 HydrophobicContact CZ3-CB 3.58Å; W283-F313 HydrophobicContact CH2-CB 4.13Å; W283-F313 HydrophobicContact CH2-CD2 4.12Å; W283-F313 HydrophobicContact CZ3-CB 4.37Å
284N88.8Confident89.8Confident102 Ų10245.3 Ų45.355%0.54523%0.227SC..Hα-helixtrans-66.9-19.2-179.3-71.4-9.2000113.2R280 K281 L282R280-N284 VanDerWaalsContact O-CG 3.24Å; R280-N284 PolarHBondContact O-N 2.9Å; R280-N284 PolarHBondContact O-OD1 2.86Å; K281-N284 PolarHBondContact O-N 2.99Å; L282-N284 VanDerWaalsContact C-N 3.3Å; L282-N284 PolarHBondContact O-N 2.74Å
285N84.5Confident89.7Confident89 Ų8945.3 Ų45.348%0.47623%0.227SC..THydrogen-bonded Turntrans-1089.4180-63.9-29.2000112.8K281 L282 W283 C287K281-N285 PolarHBondContact O-N 3.19Å; K281-N285 PolarHBondContact O-ND2 2.81Å; L282-N285 CarbonylContact O-C 3.54Å; L282-N285 PolarHBondContact O-N 3.48Å; W283-N285 PolarHBondContact O-N 2.82Å; N285-C287 PolarHBondContact O-N 2.78Å
286V87.6Confident89.6Confident24 Ų2444.5 Ų44.515%0.14522%0.224CC..  trans-66.9132178.7166.20000110.8L282 W283 V291 T294 F313L282-V286 WeakPolarHBondContact O-CG2 3.39Å; L282-V286 PolarHBondContact O-N 2.84Å; W283-V286 HydrophobicContact CE3-CB 4.36Å; W283-V286 HydrophobicContact CE3-CG2 3.96Å; W283-V286 HydrophobicContact CZ3-CB 4.49Å; W283-V286 HydrophobicContact CZ3-CG1 4.35Å; W283-V286 HydrophobicContact CZ3-CG2 4.38Å; W283-V286 PolarHBondContact O-N 2.9Å; V286-V291 HydrophobicContact CG1-CB 3.66Å; V286-V291 HydrophobicContact CG1-CG2 3.85Å; V286-T294 HydrophobicContact CG2-CG2 3.85Å; V286-F313 HydrophobicContact CG1-CD2 4.13Å; V286-F313 HydrophobicContact CG1-CE2 4.08Å; V286-F313 HydrophobicContact CG1-CG 4.39Å; V286-F313 HydrophobicContact CG1-CZ 4.31Å
287C84.9Confident89.5Confident53 Ų5340.8 Ų40.836%0.35821%0.206SC..  trans-134.2-177.816970.20000110.8N285 D289 T290 V291N285-C287 PolarHBondContact O-N 2.78Å; C287-D289 PolarHBondContact O-N 3.49Å; C287-T290 PolarHBondContact N-OG1 2.74Å; C287-T290 PolarHBondContact O-N 3.11Å; C287-T290 PolarHBondContact SG-OG1 3.31Å; C287-T290 VanDerWaalsContact SG-OG1 3.4Å; C287-V291 WeakPolarHBondContact O-CB 3.41Å; C287-V291 PolarHBondContact O-N 3.36Å
288E83.5Confident89.6Confident35 Ų3539.1 Ų39.116%0.16420%0.197CC..THydrogen-bonded Turntrans-53.2-35.6178.5-65.4176.3158.600112.7F320 K323E288-F320 HydrophobicContact CG-CD1 3.45Å; E288-F320 VanDerWaalsContact CG-CD1 3.45Å; E288-F320 HydrophobicContact CG-CE1 3.44Å; E288-F320 VanDerWaalsContact CG-CE1 3.44Å; E288-F320 WeakPolarHBondContact OE1-CD1 3.16Å; E288-F320 WeakPolarHBondContact OE1-CE1 3.42Å; E288-F320 WeakPolarHBondContact OE1-CZ 3.09Å; E288-K323 IonicContact OE1-NZ 2.84Å; E288-K323 WeakPolarHBondContact OE2-CD 3.25Å; E288-K323 IonicContact OE2-NZ 3.31Å; E288-K323 PolarHBondContact OE2-NZ 3.46Å
289D84.5Confident89.7Confident105 Ų10541.3 Ų41.356%0.56121%0.207SC*.THydrogen-bonded Turntrans-84.7-30.3-175.7-55.7-43.2000112.8C287C287-D289 PolarHBondContact O-N 3.49Å
290T87.5Confident89.7Confident50 Ų5044 Ų4431%0.30722%0.223SC..THydrogen-bonded Turntrans-103.5-11.1-172.161.60000114.3C287 A292 D293 T294C287-T290 PolarHBondContact N-OG1 2.74Å; C287-T290 PolarHBondContact O-N 3.11Å; C287-T290 PolarHBondContact SG-OG1 3.31Å; C287-T290 VanDerWaalsContact SG-OG1 3.4Å; T290-A292 VanDerWaalsContact C-N 3.28Å; T290-A292 PolarHBondContact O-N 2.75Å; T290-D293 PolarHBondContact O-N 3.41Å; T290-T294 WeakPolarHBondContact O-CB 3.33Å; T290-T294 PolarHBondContact O-N 2.92Å; T290-T294 PolarHBondContact O-OG1 3.46Å
291V90.1Very high89.8Confident0 Ų039.1 Ų39.10%021%0.205CC..Hα-helixtrans-61.5-36-177.1640000112.5V286 C287 T294 L295 C310 F313 F314 A324V286-V291 HydrophobicContact CG1-CB 3.66Å; V286-V291 HydrophobicContact CG1-CG2 3.85Å; C287-V291 WeakPolarHBondContact O-CB 3.41Å; C287-V291 PolarHBondContact O-N 3.36Å; V291-T294 PolarHBondContact O-N 3.24Å; V291-L295 WeakPolarHBondContact O-CB 3.14Å; V291-L295 PolarHBondContact O-N 3.46Å; V291-C310 HydrophobicContact CG2-CB 4.16Å; V291-F313 HydrophobicContact CB-CD1 4Å; V291-F313 HydrophobicContact CB-CE1 4.22Å; V291-F313 HydrophobicContact CG1-CD1 4.11Å; V291-F313 HydrophobicContact CG1-CE1 4.2Å; V291-F313 HydrophobicContact CG2-CB 4.04Å; V291-F313 HydrophobicContact CG2-CD1 3.67Å; V291-F313 HydrophobicContact CG2-CE1 4.38Å; V291-F313 HydrophobicContact CG2-CG 4Å; V291-F314 HydrophobicContact CB-CE2 4.46Å; V291-F314 HydrophobicContact CB-CZ 4.45Å; V291-F314 HydrophobicContact CG1-CE1 3.98Å; V291-F314 HydrophobicContact CG1-CE2 4.01Å; V291-F314 HydrophobicContact CG1-CZ 3.56Å; V291-F314 HydrophobicContact CG2-CD2 4.22Å; V291-F314 HydrophobicContact CG2-CE2 3.76Å; V291-F314 HydrophobicContact CG2-CZ 4.22Å; V291-A324 HydrophobicContact CG1-CB 4.13Å
292A90.7Very high89.8Confident0 Ų041.9 Ų41.90%022%0.223CC..Hα-helixtrans-69.4-44179.900000111.5T290 T294 L295 I296 F314 F330T290-A292 VanDerWaalsContact C-N 3.28Å; T290-A292 PolarHBondContact O-N 2.75Å; A292-T294 VanDerWaalsContact C-N 3.33Å; A292-T294 PolarHBondContact O-N 3.05Å; A292-L295 PolarHBondContact O-N 3.06Å; A292-I296 WeakPolarHBondContact O-CG1 3.44Å; A292-I296 PolarHBondContact O-N 3.02Å; A292-F314 HydrophobicContact CB-CZ 4.28Å; A292-F330 HydrophobicContact CB-CB 4.25Å
293D89Confident89.9Confident38 Ų3842 Ų4220%0.20322%0.224CC..Hα-helixtrans-62.8-40.5174.3-70.5-48.6000112.1T290 L295 I296 C297 R332T290-D293 PolarHBondContact O-N 3.41Å; D293-L295 VanDerWaalsContact C-N 3.31Å; D293-L295 PolarHBondContact O-N 2.84Å; D293-I296 WeakPolarHBondContact O-CB 3.41Å; D293-I296 PolarHBondContact O-N 3.4Å; D293-C297 PolarHBondContact O-N 3.44Å; D293-R332 IonicContact OD1-CZ 3.83Å; D293-R332 IonicContact OD1-NH1 3.07Å; D293-R332 PolarHBondContact OD1-NH1 3.12Å; D293-R332 IonicContact OD1-NH2 2.75Å; D293-R332 PolarHBondContact OD1-NH2 3.45Å
294T91.6Very high89.9Confident3 Ų342.5 Ų42.52%0.01824%0.236CC..Hα-helixtrans-64.4-38.2175.4-54.90000111.6L282 V286 T290 V291 A292 C297 A298 L306L282-T294 HydrophobicContact CB-CG2 4.04Å; V286-T294 HydrophobicContact CG2-CG2 3.85Å; T290-T294 WeakPolarHBondContact O-CB 3.33Å; T290-T294 PolarHBondContact O-N 2.92Å; T290-T294 PolarHBondContact O-OG1 3.46Å; V291-T294 PolarHBondContact O-N 3.24Å; A292-T294 VanDerWaalsContact C-N 3.33Å; A292-T294 PolarHBondContact O-N 3.05Å; T294-C297 PolarHBondContact O-N 3.43Å; T294-A298 WeakPolarHBondContact O-CB 3.37Å; T294-A298 PolarHBondContact O-N 3.02Å; T294-L306 HydrophobicContact CG2-CD1 3.86Å; T294-L306 HydrophobicContact CG2-CD2 3.86Å; T294-L306 HydrophobicContact CG2-CG 4.03Å
295L92.5Very high90.1Very high0 Ų043.6 Ų43.60%024%0.237CC..Hα-helixtrans-68.4-41.6176-179.853.7000112.1V291 A292 D293 A298 E299 K307 C310 L311 F314 L333 I340V291-L295 WeakPolarHBondContact O-CB 3.14Å; V291-L295 PolarHBondContact O-N 3.46Å; A292-L295 PolarHBondContact O-N 3.06Å; D293-L295 VanDerWaalsContact C-N 3.31Å; D293-L295 PolarHBondContact O-N 2.84Å; L295-A298 WeakPolarHBondContact O-CB 3.15Å; L295-A298 PolarHBondContact O-N 3.17Å; L295-E299 PolarHBondContact O-N 2.84Å; L295-K307 HydrophobicContact CD1-CB 4.33Å; L295-K307 HydrophobicContact CD1-CG 3.71Å; L295-C310 HydrophobicContact CB-CB 3.86Å; L295-C310 HydrophobicContact CD1-CB 3.97Å; L295-C310 HydrophobicContact CG-CB 4.33Å; L295-L311 HydrophobicContact CD1-CD2 4.36Å; L295-L311 HydrophobicContact CD1-CG 4.31Å; L295-L311 HydrophobicContact CD2-CD2 3.99Å; L295-F314 HydrophobicContact CD2-CD2 4.18Å; L295-F314 HydrophobicContact CD2-CE2 3.73Å; L295-L333 HydrophobicContact CB-CD1 4.35Å; L295-L333 HydrophobicContact CD2-CD1 4.09Å; L295-L333 HydrophobicContact CD2-CD2 3.75Å; L295-L333 HydrophobicContact CG-CD1 3.89Å; L295-L333 HydrophobicContact CG-CD2 4.43Å; L295-I340 HydrophobicContact CD1-CD1 4.49Å; L295-I340 HydrophobicContact CD2-CG2 3.83Å; L295-I340 HydrophobicContact CG-CD1 4.43Å; L295-I340 HydrophobicContact CG-CG2 4.39Å
296I92.1Very high90.5Very high7 Ų739.7 Ų39.74%0.03622%0.216CC..Hα-helixtrans-53.6-55171.2-75.1167.1000109.4A292 D293 A298 E299 T300 R332 L333 E336 F337A292-I296 WeakPolarHBondContact O-CG1 3.44Å; A292-I296 PolarHBondContact O-N 3.02Å; D293-I296 WeakPolarHBondContact O-CB 3.41Å; D293-I296 PolarHBondContact O-N 3.4Å; I296-A298 VanDerWaalsContact C-N 3.27Å; I296-A298 PolarHBondContact O-N 3.14Å; I296-E299 PolarHBondContact O-N 2.79Å; I296-E299 VanDerWaalsContact O-N 3.13Å; I296-T300 PolarHBondContact O-N 3.36Å; I296-T300 PolarHBondContact O-OG1 3.4Å; I296-R332 HydrophobicContact CD1-CB 3.84Å; I296-L333 HydrophobicContact CD1-CB 4.07Å; I296-L333 HydrophobicContact CG1-CB 3.99Å; I296-L333 HydrophobicContact CG1-CD1 3.66Å; I296-L333 HydrophobicContact CG1-CG 4.47Å; I296-E336 WeakPolarHBondContact CG2-OE2 3.36Å; I296-F337 HydrophobicContact CB-CE2 4.39Å; I296-F337 HydrophobicContact CG1-CD2 4.37Å; I296-F337 HydrophobicContact CG1-CE2 4.45Å; I296-F337 HydrophobicContact CG2-CE2 4.11Å
297C91.2Very high90.8Very high17 Ų1740 Ų4012%0.11522%0.216CC..Hα-helixtrans-63-34.3180-72.20000113.1H260 L263 D293 T294 E299 Y301H260-C297 PolarHBondContact ND1-SG 3.04Å; L263-C297 HydrophobicContact CD2-CB 4.24Å; D293-C297 PolarHBondContact O-N 3.44Å; T294-C297 PolarHBondContact O-N 3.43Å; C297-E299 VanDerWaalsContact C-N 3.33Å; C297-Y301 HydrophobicContact CB-CD2 4.19Å; C297-Y301 HydrophobicContact CB-CE2 4.19Å; C297-Y301 WeakPolarHBondContact O-CD2 3.26Å; C297-Y301 PolarHBondContact O-N 3.26Å; C297-Y301 VanDerWaalsContact O-N 3.08Å
298A93.6Very high91.1Very high1 Ų144.8 Ų44.81%0.00823%0.226CC..Hα-helixtrans-65.1-37.5176.600000112.5T294 L295 I296 N302 C303 L306 K307T294-A298 WeakPolarHBondContact O-CB 3.37Å; T294-A298 PolarHBondContact O-N 3.02Å; L295-A298 WeakPolarHBondContact O-CB 3.15Å; L295-A298 PolarHBondContact O-N 3.17Å; I296-A298 VanDerWaalsContact C-N 3.27Å; I296-A298 PolarHBondContact O-N 3.14Å; A298-N302 PolarHBondContact O-N 2.85Å; A298-C303 HydrophobicContact CB-CB 4.34Å; A298-C303 PolarHBondContact O-N 2.89Å; A298-L306 HydrophobicContact CB-CB 3.89Å; A298-L306 HydrophobicContact CB-CD2 3.85Å; A298-L306 HydrophobicContact CB-CG 3.76Å; A298-K307 HydrophobicContact CB-CB 4.06Å
299E94.3Very high91.5Very high45 Ų4548.3 Ų48.321%0.2124%0.241CC..Hα-helixtrans-72.5-51.5175.2-17073.5167.900110.8L295 I296 C297 Y301 N302 K307 F337 W339 I340L295-E299 PolarHBondContact O-N 2.84Å; I296-E299 PolarHBondContact O-N 2.79Å; I296-E299 VanDerWaalsContact O-N 3.13Å; C297-E299 VanDerWaalsContact C-N 3.33Å; E299-Y301 VanDerWaalsContact C-N 3.29Å; E299-Y301 PolarHBondContact O-N 2.86Å; E299-N302 PolarHBondContact O-N 2.82Å; E299-K307 VanDerWaalsContact CD-NZ 3.35Å; E299-K307 IonicContact OE1-NZ 3.73Å; E299-K307 PolarHBondContact OE1-NZ 2.99Å; E299-K307 WeakPolarHBondContact OE2-CD 3.28Å; E299-K307 WeakPolarHBondContact OE2-CE 3.48Å; E299-K307 IonicContact OE2-NZ 3.06Å; E299-K307 PolarHBondContact OE2-NZ 2.87Å; E299-F337 HydrophobicContact CB-CD1 4.5Å; E299-F337 HydrophobicContact CB-CD2 4.28Å; E299-F337 HydrophobicContact CB-CE1 4.35Å; E299-F337 HydrophobicContact CB-CE2 4.14Å; E299-F337 HydrophobicContact CB-CG 4.45Å; E299-F337 HydrophobicContact CB-CZ 4.17Å; E299-F337 HydrophobicContact CG-CD1 3.74Å; E299-F337 HydrophobicContact CG-CD2 4.35Å; E299-F337 HydrophobicContact CG-CE1 3.75Å; E299-F337 HydrophobicContact CG-CE2 4.36Å; E299-F337 HydrophobicContact CG-CG 4.03Å; E299-F337 HydrophobicContact CG-CZ 4.08Å; E299-W339 PolarHBondContact OE1-NE1 3.19Å; E299-I340 HydrophobicContact CB-CD1 3.87Å; E299-I340 HydrophobicContact CG-CD1 3.84Å
300T93.8Very high91.9Very high66 Ų6643.3 Ų43.341%0.40521%0.214SC..Hα-helixtrans-54.5-45.2-176.9-57.70000112.2I296 F337I296-T300 PolarHBondContact O-N 3.36Å; I296-T300 PolarHBondContact O-OG1 3.4Å; T300-F337 WeakPolarHBondContact OG1-CZ 3.39Å
301Y93Very high92Very high57 Ų5741.5 Ų41.522%0.22420%0.203CC..THydrogen-bonded Turntrans-100.220.8-177.3-51.3-56.5000112.3L263 A264 D267 K275 C297 E299 C303L263-Y301 HydrophobicContact CB-CD2 4.41Å; L263-Y301 HydrophobicContact CD2-CD2 3.73Å; L263-Y301 HydrophobicContact CG-CD2 3.79Å; L263-Y301 HydrophobicContact CG-CG 4.3Å; A264-Y301 HydrophobicContact CB-CD1 4.38Å; A264-Y301 HydrophobicContact CB-CE1 3.57Å; A264-Y301 HydrophobicContact CB-CE2 3.87Å; A264-Y301 VanDerWaalsContact CB-OH 3.23Å; A264-Y301 WeakPolarHBondContact CB-OH 3.35Å; D267-Y301 HydrophobicContact CB-CD1 4.16Å; D267-Y301 HydrophobicContact CB-CG 4.42Å; K275-Y301 WeakPolarHBondContact CE-O 3.26Å; K275-Y301 PolarHBondContact NZ-O 2.86Å; C297-Y301 HydrophobicContact CB-CD2 4.19Å; C297-Y301 HydrophobicContact CB-CE2 4.19Å; C297-Y301 WeakPolarHBondContact O-CD2 3.26Å; C297-Y301 PolarHBondContact O-N 3.26Å; C297-Y301 VanDerWaalsContact O-N 3.08Å; E299-Y301 VanDerWaalsContact C-N 3.29Å; E299-Y301 PolarHBondContact O-N 2.86Å; Y301-C303 PolarHBondContact O-N 3.01Å
302N90.9Very high91.9Very high119 Ų11942.9 Ų42.964%0.63622%0.217SC*.THydrogen-bonded Turntrans48.657.8174.7-170.724.2000113.8K275 A298 E299 P304K275-N302 PolarHBondContact NZ-O 2.87Å; A298-N302 PolarHBondContact O-N 2.85Å; E299-N302 PolarHBondContact O-N 2.82Å; N302-P304 VanDerWaalsContact C-CD 3.46Å; N302-P304 WeakPolarHBondContact O-CD 3.06Å
303C93Very high91.7Very high8 Ų844.7 Ų44.75%0.05423%0.225CC..  trans-108.277.1177.6-75.30000110.4K275 A298 Y301 Q305 L306 K307K275-C303 WeakPolarHBondContact CE-SG 3.13Å; A298-C303 HydrophobicContact CB-CB 4.34Å; A298-C303 PolarHBondContact O-N 2.89Å; Y301-C303 PolarHBondContact O-N 3.01Å; C303-Q305 VanDerWaalsContact C-N 3.28Å; C303-Q305 PolarHBondContact O-N 3.43Å; C303-Q305 VanDerWaalsContact O-N 3.16Å; C303-L306 HydrophobicContact CB-CB 4.01Å; C303-L306 PolarHBondContact O-N 2.92Å; C303-K307 PolarHBondContact O-N 2.97Å
304P92.2Very high91.4Very high74 Ų7443.3 Ų43.348%0.48122%0.217SC..Hα-helixtrans-63.4-30-168.923.4-34.9000113.9N302 R308N302-P304 VanDerWaalsContact C-CD 3.46Å; N302-P304 WeakPolarHBondContact O-CD 3.06Å; P304-R308 WeakPolarHBondContact O-CB 3.49Å; P304-R308 PolarHBondContact O-N 2.97Å; P304-R308 VanDerWaalsContact O-N 3.08Å
305Q91.5Very high90.7Very high125 Ų12545 Ų4558%0.58423%0.234SC*.Hα-helixtrans-69.2-41.4176.2-62-173.224.100111.7C303 K309C303-Q305 VanDerWaalsContact C-N 3.28Å; C303-Q305 PolarHBondContact O-N 3.43Å; C303-Q305 VanDerWaalsContact O-N 3.16Å; Q305-K309 WeakPolarHBondContact O-CG 3.38Å; Q305-K309 PolarHBondContact O-N 3.26Å
306L93.1Very high89.8Confident7 Ų751.8 Ų51.84%0.03727%0.266CS..Hα-helixtrans-68.7-44.6177.3-176.260.5000110.8A279 L282 W283 T294 A298 C303 R308 K309 C310A279-L306 HydrophobicContact CB-CB 4.27Å; A279-L306 HydrophobicContact CB-CD2 3.95Å; A279-L306 WeakPolarHBondContact O-CD1 3.33Å; L282-L306 HydrophobicContact CD1-CD2 4.48Å; W283-L306 HydrophobicContact CB-CD1 3.75Å; W283-L306 HydrophobicContact CE3-CD1 4.24Å; T294-L306 HydrophobicContact CG2-CD1 3.86Å; T294-L306 HydrophobicContact CG2-CD2 3.86Å; T294-L306 HydrophobicContact CG2-CG 4.03Å; A298-L306 HydrophobicContact CB-CB 3.89Å; A298-L306 HydrophobicContact CB-CD2 3.85Å; A298-L306 HydrophobicContact CB-CG 3.76Å; C303-L306 HydrophobicContact CB-CB 4.01Å; C303-L306 PolarHBondContact O-N 2.92Å; L306-R308 VanDerWaalsContact C-N 3.32Å; L306-R308 PolarHBondContact O-N 2.79Å; L306-K309 PolarHBondContact O-N 2.95Å; L306-K309 VanDerWaalsContact O-N 3.15Å; L306-C310 PolarHBondContact O-N 3.18Å; L306-C310 PolarHBondContact O-SG 2.88Å
307K94Very high88.2Confident29 Ų2953.7 Ų53.713%0.12629%0.288CS..Hα-helixtrans-52.2-52.5174.5-176.2-171.2-174.4166.90110.5L295 A298 E299 C303 K309 C310 L311 E343L295-K307 HydrophobicContact CD1-CB 4.33Å; L295-K307 HydrophobicContact CD1-CG 3.71Å; A298-K307 HydrophobicContact CB-CB 4.06Å; E299-K307 VanDerWaalsContact CD-NZ 3.35Å; E299-K307 IonicContact OE1-NZ 3.73Å; E299-K307 PolarHBondContact OE1-NZ 2.99Å; E299-K307 WeakPolarHBondContact OE2-CD 3.28Å; E299-K307 WeakPolarHBondContact OE2-CE 3.48Å; E299-K307 IonicContact OE2-NZ 3.06Å; E299-K307 PolarHBondContact OE2-NZ 2.87Å; C303-K307 PolarHBondContact O-N 2.97Å; K307-K309 VanDerWaalsContact C-N 3.31Å; K307-K309 PolarHBondContact O-N 3.09Å; K307-C310 PolarHBondContact O-N 3.3Å; K307-L311 HydrophobicContact CG-CD1 4.06Å; K307-L311 HydrophobicContact CG-CG 4.39Å; K307-L311 WeakPolarHBondContact O-CG 3.39Å; K307-L311 PolarHBondContact O-N 3.1Å; K307-E343 WeakPolarHBondContact CE-OE2 3.42Å; K307-E343 IonicContact NZ-OE1 3.05Å; K307-E343 PolarHBondContact NZ-OE1 3.27Å; K307-E343 IonicContact NZ-OE2 3.87Å; K307-E343 PolarHBondContact NZ-OE2 2.83Å
308R92.1Very high86.6Confident154 Ų15461.9 Ų61.958%0.58132%0.321SS*.Hα-helixtrans-59.4-40.4-179.3-166.6-172.4-50.7116.65.5112.7P304 L306 G312P304-R308 WeakPolarHBondContact O-CB 3.49Å; P304-R308 PolarHBondContact O-N 2.97Å; P304-R308 VanDerWaalsContact O-N 3.08Å; L306-R308 VanDerWaalsContact C-N 3.32Å; L306-R308 PolarHBondContact O-N 2.79Å; R308-G312 PolarHBondContact O-N 2.99Å
309K91.7Very high85Confident110 Ų11068.2 Ų68.248%0.47836%0.355SS..Hα-helixtrans-66.9-44177.1-74.9-158.6178.1-169.70111.9W283 Q305 L306 K307 G312 F313W283-K309 HydrophobicContact CD2-CB 3.92Å; W283-K309 HydrophobicContact CD2-CD 3.62Å; W283-K309 HydrophobicContact CD2-CG 4.46Å; W283-K309 VanDerWaalsContact CE2-CD 3.48Å; W283-K309 HydrophobicContact CE3-CB 3.64Å; W283-K309 HydrophobicContact CE3-CD 4.24Å; W283-K309 HydrophobicContact CG-CD 3.9Å; W283-K309 HydrophobicContact CH2-CB 3.75Å; W283-K309 WeakPolarHBondContact CH2-O 3.09Å; W283-K309 HydrophobicContact CZ2-CB 4.02Å; W283-K309 HydrophobicContact CZ2-CD 3.95Å; W283-K309 HydrophobicContact CZ2-CG 4.48Å; W283-K309 VanDerWaalsContact CZ3-C 3.46Å; W283-K309 HydrophobicContact CZ3-CB 3.58Å; Q305-K309 WeakPolarHBondContact O-CG 3.38Å; Q305-K309 PolarHBondContact O-N 3.26Å; L306-K309 PolarHBondContact O-N 2.95Å; L306-K309 VanDerWaalsContact O-N 3.15Å; K307-K309 VanDerWaalsContact C-N 3.31Å; K307-K309 PolarHBondContact O-N 3.09Å; K309-G312 WeakPolarHBondContact O-CA 3.43Å; K309-G312 PolarHBondContact O-N 2.8Å; K309-G312 VanDerWaalsContact O-N 3.15Å; K309-F313 PolarHBondContact O-N 2.57Å
310C91.6Very high83.1Confident0 Ų070.7 Ų70.70%037%0.365CS..Hα-helixtrans-63.7-43.3176.5-60.50000111.8V291 L295 L306 K307 G312 F313 F314V291-C310 HydrophobicContact CG2-CB 4.16Å; L295-C310 HydrophobicContact CB-CB 3.86Å; L295-C310 HydrophobicContact CD1-CB 3.97Å; L295-C310 HydrophobicContact CG-CB 4.33Å; L306-C310 PolarHBondContact O-N 3.18Å; L306-C310 PolarHBondContact O-SG 2.88Å; K307-C310 PolarHBondContact O-N 3.3Å; C310-G312 VanDerWaalsContact C-N 3.27Å; C310-G312 PolarHBondContact O-N 2.98Å; C310-F313 VanDerWaalsContact O-CB 3.3Å; C310-F313 WeakPolarHBondContact O-CB 3.34Å; C310-F313 PolarHBondContact O-N 3.46Å; C310-F313 VanDerWaalsContact O-N 3.13Å; C310-F314 VanDerWaalsContact O-CD2 3.23Å; C310-F314 WeakPolarHBondContact O-CD2 3.49Å; C310-F314 PolarHBondContact O-N 3.39Å
311L89.6Confident81.4Confident12 Ų1271.6 Ų71.66%0.06336%0.364CS..Hα-helixtrans-59.8-37.9172.8-68.4174.8000112.2L295 K307 F314 G315 I340 E343 L344L295-L311 HydrophobicContact CD1-CD2 4.36Å; L295-L311 HydrophobicContact CD1-CG 4.31Å; L295-L311 HydrophobicContact CD2-CD2 3.99Å; K307-L311 HydrophobicContact CG-CD1 4.06Å; K307-L311 HydrophobicContact CG-CG 4.39Å; K307-L311 WeakPolarHBondContact O-CG 3.39Å; K307-L311 PolarHBondContact O-N 3.1Å; L311-F314 PolarHBondContact O-N 2.8Å; L311-G315 PolarHBondContact O-N 3.21Å; L311-I340 HydrophobicContact CD2-CG2 4.14Å; L311-E343 WeakPolarHBondContact CD1-OE2 3.41Å; L311-L344 HydrophobicContact CD2-CD2 3.48Å; L311-L344 VanDerWaalsContact CD2-CD2 3.48Å; L311-L344 HydrophobicContact CD2-CG 3.71Å
312G88.1Confident80Confident28 Ų2873.1 Ų73.129%0.28938%0.379SS..Hα-helixtrans-62.6-42.2173.500000112.6R308 K309 C310 F314 G315 E316R308-G312 PolarHBondContact O-N 2.99Å; K309-G312 WeakPolarHBondContact O-CA 3.43Å; K309-G312 PolarHBondContact O-N 2.8Å; K309-G312 VanDerWaalsContact O-N 3.15Å; C310-G312 VanDerWaalsContact C-N 3.27Å; C310-G312 PolarHBondContact O-N 2.98Å; G312-F314 VanDerWaalsContact C-N 3.33Å; G312-F314 PolarHBondContact O-N 2.86Å; G312-G315 WeakPolarHBondContact O-CA 3.46Å; G312-G315 PolarHBondContact O-N 3.11Å; G312-E316 PolarHBondContact O-N 2.89Å
313F86.6Confident79Confident39 Ų3973.1 Ų73.117%0.17137%0.373CS..Hα-helixtrans-58.1-43.3176.9-168.2-85.6000112W283 V286 V291 K309 C310 G315 E316 F320W283-F313 HydrophobicContact CH2-CB 4.13Å; W283-F313 HydrophobicContact CH2-CD2 4.12Å; W283-F313 HydrophobicContact CZ3-CB 4.37Å; V286-F313 HydrophobicContact CG1-CD2 4.13Å; V286-F313 HydrophobicContact CG1-CE2 4.08Å; V286-F313 HydrophobicContact CG1-CG 4.39Å; V286-F313 HydrophobicContact CG1-CZ 4.31Å; V291-F313 HydrophobicContact CB-CD1 4Å; V291-F313 HydrophobicContact CB-CE1 4.22Å; V291-F313 HydrophobicContact CG1-CD1 4.11Å; V291-F313 HydrophobicContact CG1-CE1 4.2Å; V291-F313 HydrophobicContact CG2-CB 4.04Å; V291-F313 HydrophobicContact CG2-CD1 3.67Å; V291-F313 HydrophobicContact CG2-CE1 4.38Å; V291-F313 HydrophobicContact CG2-CG 4Å; K309-F313 PolarHBondContact O-N 2.57Å; C310-F313 VanDerWaalsContact O-CB 3.3Å; C310-F313 WeakPolarHBondContact O-CB 3.34Å; C310-F313 PolarHBondContact O-N 3.46Å; C310-F313 VanDerWaalsContact O-N 3.13Å; F313-G315 PolarHBondContact O-N 3.24Å; F313-E316 PolarHBondContact O-N 3.27Å; F313-F320 HydrophobicContact CE1-CD1 4.29Å; F313-F320 HydrophobicContact CZ-CD1 4.29Å; F313-F320 HydrophobicContact CZ-CE1 4.34Å
314F82.8Confident78.1Confident9 Ų972.9 Ų72.94%0.03937%0.372CS..THydrogen-bonded Turntrans-65.7-17.7174.3-76.2-74.7000114.2V291 A292 L295 C310 L311 G312 A324 F330 L344V291-F314 HydrophobicContact CB-CE2 4.46Å; V291-F314 HydrophobicContact CB-CZ 4.45Å; V291-F314 HydrophobicContact CG1-CE1 3.98Å; V291-F314 HydrophobicContact CG1-CE2 4.01Å; V291-F314 HydrophobicContact CG1-CZ 3.56Å; V291-F314 HydrophobicContact CG2-CD2 4.22Å; V291-F314 HydrophobicContact CG2-CE2 3.76Å; V291-F314 HydrophobicContact CG2-CZ 4.22Å; A292-F314 HydrophobicContact CB-CZ 4.28Å; L295-F314 HydrophobicContact CD2-CD2 4.18Å; L295-F314 HydrophobicContact CD2-CE2 3.73Å; C310-F314 VanDerWaalsContact O-CD2 3.23Å; C310-F314 WeakPolarHBondContact O-CD2 3.49Å; C310-F314 PolarHBondContact O-N 3.39Å; L311-F314 PolarHBondContact O-N 2.8Å; G312-F314 VanDerWaalsContact C-N 3.33Å; G312-F314 PolarHBondContact O-N 2.86Å; F314-A324 HydrophobicContact CD1-CB 4.23Å; F314-A324 HydrophobicContact CE1-CB 3.7Å; F314-F330 AromaticContact CE1-CD2 3.8Å; F314-F330 HydrophobicContact CE1-CD2 3.8Å; F314-F330 AromaticContact CE1-CE2 3.96Å; F314-F330 HydrophobicContact CE1-CE2 3.96Å; F314-F330 AromaticContact CZ-CD2 3.95Å; F314-F330 HydrophobicContact CZ-CD2 3.95Å; F314-F330 HydrophobicContact CZ-CE2 4.25Å; F314-L344 HydrophobicContact CB-CD2 3.49Å; F314-L344 VanDerWaalsContact CB-CD2 3.49Å; F314-L344 HydrophobicContact CD2-CD2 3.72Å; F314-L344 HydrophobicContact CG-CD2 3.73Å
315G78.2Confident77.3Confident37 Ų3772.2 Ų72.238%0.38137%0.366SS..THydrogen-bonded Turntrans-86.3-18.4176.900000114.5L311 G312 F313 G317L311-G315 PolarHBondContact O-N 3.21Å; G312-G315 WeakPolarHBondContact O-CA 3.46Å; G312-G315 PolarHBondContact O-N 3.11Å; F313-G315 PolarHBondContact O-N 3.24Å; G315-G317 PolarHBondContact O-N 2.67Å
316E71.7Confident76.8Confident144 Ų14473.3 Ų73.367%0.67338%0.375SS*.SBendtrans-86.189.6-175.2-74.7178.8176.200111.4G312 F313G312-E316 PolarHBondContact O-N 2.89Å; F313-E316 PolarHBondContact O-N 3.27Å
317G59.3Low76.4Confident47 Ų4773.9 Ų73.949%0.48538%0.379SS..  trans93.7141.7164.700000116.4G315 K321G315-G317 PolarHBondContact O-N 2.67Å; G317-K321 PolarHBondContact O-N 3.1Å
318K57.9Low76Confident189 Ų18979.3 Ų79.382%0.82241%0.41SS*.Hα-helixtrans-65.9-37.8-176.9-80.8-176.8177.1176.20113.5K321 T322K318-K321 WeakPolarHBondContact O-CB 3.49Å; K318-K321 PolarHBondContact O-N 3.4Å; K318-T322 PolarHBondContact O-N 2.87Å; K318-T322 PolarHBondContact O-OG1 2.95Å
319D59.8Low75.7Confident133 Ų13372.2 Ų72.271%0.71138%0.384SS*.Hα-helixtrans-73.6-35.9-174.5-65.3-20.7000112.5T322D319-T322 PolarHBondContact O-N 2.87Å; D319-T322 PolarHBondContact O-OG1 2.85Å
320F54.1Low75.4Confident97 Ų9768.4 Ų68.443%0.42537%0.368SS..Hα-helixtrans-67-38.4175.4-90.6-98.4000111.7E288 F313 T322 K323 A324E288-F320 HydrophobicContact CG-CD1 3.45Å; E288-F320 VanDerWaalsContact CG-CD1 3.45Å; E288-F320 HydrophobicContact CG-CE1 3.44Å; E288-F320 VanDerWaalsContact CG-CE1 3.44Å; E288-F320 WeakPolarHBondContact OE1-CD1 3.16Å; E288-F320 WeakPolarHBondContact OE1-CE1 3.42Å; E288-F320 WeakPolarHBondContact OE1-CZ 3.09Å; F313-F320 HydrophobicContact CE1-CD1 4.29Å; F313-F320 HydrophobicContact CZ-CD1 4.29Å; F313-F320 HydrophobicContact CZ-CE1 4.34Å; F320-T322 VanDerWaalsContact C-N 3.26Å; F320-T322 PolarHBondContact O-N 2.71Å; F320-K323 PolarHBondContact O-N 3.21Å; F320-A324 PolarHBondContact O-N 2.63Å; F320-A324 VanDerWaalsContact O-N 3.11Å
321K59.1Low75.2Confident86 Ų8670.9 Ų70.937%0.37439%0.388SS..Hα-helixtrans-58.3-38.8177.1-151.6-175.8-174-168.40112.1G317 K318 K323 V325 V348G317-K321 PolarHBondContact O-N 3.1Å; K318-K321 WeakPolarHBondContact O-CB 3.49Å; K318-K321 PolarHBondContact O-N 3.4Å; K321-K323 VanDerWaalsContact C-N 3.34Å; K321-K323 PolarHBondContact O-N 2.89Å; K321-V325 HydrophobicContact CG-CG2 4.49Å; K321-V325 WeakPolarHBondContact O-CB 3.49Å; K321-V325 WeakPolarHBondContact O-CG2 3.47Å; K321-V325 PolarHBondContact O-N 3.19Å; K321-V348 HydrophobicContact CD-CG1 4.14Å
322T62.6Low75.2Confident88 Ų8875.4 Ų75.454%0.5441%0.405SS..Hα-helixtrans-68.8-29.6179.925.50000113.7K318 D319 F320 L326K318-T322 PolarHBondContact O-N 2.87Å; K318-T322 PolarHBondContact O-OG1 2.95Å; D319-T322 PolarHBondContact O-N 2.87Å; D319-T322 PolarHBondContact O-OG1 2.85Å; F320-T322 VanDerWaalsContact C-N 3.26Å; F320-T322 PolarHBondContact O-N 2.71Å; T322-L326 WeakPolarHBondContact O-CD1 3.09Å; T322-L326 WeakPolarHBondContact O-CG 3.29Å
323K71Confident75.3Confident119 Ų11974 Ų7452%0.51739%0.391SS..Hα-helixtrans-85.8-49.5179.8-74.1-177.2179.4177.40112.8E288 F320 K321 V325 L326E288-K323 IonicContact OE1-NZ 2.84Å; E288-K323 WeakPolarHBondContact OE2-CD 3.25Å; E288-K323 IonicContact OE2-NZ 3.31Å; E288-K323 PolarHBondContact OE2-NZ 3.46Å; F320-K323 PolarHBondContact O-N 3.21Å; K321-K323 VanDerWaalsContact C-N 3.34Å; K321-K323 PolarHBondContact O-N 2.89Å; K323-V325 PolarHBondContact O-N 3.01Å; K323-L326 PolarHBondContact O-N 3.27Å
324A72.6Confident75.3Confident3 Ų373.7 Ų73.73%0.02540%0.395CS..Hα-helixtrans-62.3-32.6-175.500000112.5V291 F314 F320 L326 T327 F330V291-A324 HydrophobicContact CG1-CB 4.13Å; F314-A324 HydrophobicContact CD1-CB 4.23Å; F314-A324 HydrophobicContact CE1-CB 3.7Å; F320-A324 PolarHBondContact O-N 2.63Å; F320-A324 VanDerWaalsContact O-N 3.11Å; A324-L326 VanDerWaalsContact C-N 3.26Å; A324-L326 PolarHBondContact O-N 3.14Å; A324-T327 WeakPolarHBondContact O-CG2 3.49Å; A324-T327 PolarHBondContact O-N 3.43Å; A324-T327 PolarHBondContact O-OG1 3.37Å; A324-F330 WeakPolarHBondContact O-CB 3.47Å
325V76Confident75.7Confident61 Ų6180.1 Ų80.137%0.3743%0.429SS..THydrogen-bonded Turntrans-71.7-18.8177.6174.10000113K321 K323 T327 F330K321-V325 HydrophobicContact CG-CG2 4.49Å; K321-V325 WeakPolarHBondContact O-CB 3.49Å; K321-V325 WeakPolarHBondContact O-CG2 3.47Å; K321-V325 PolarHBondContact O-N 3.19Å; K323-V325 PolarHBondContact O-N 3.01Å; V325-T327 VanDerWaalsContact C-N 3.34Å; V325-F330 HydrophobicContact CB-CD1 4.37Å; V325-F330 HydrophobicContact CB-CE1 4.42Å; V325-F330 HydrophobicContact CG1-CD1 4Å; V325-F330 HydrophobicContact CG1-CE1 3.85Å; V325-F330 HydrophobicContact CG1-CZ 4.35Å; V325-F330 HydrophobicContact CG2-CD2 4.34Å; V325-F330 HydrophobicContact CG2-CE1 4.32Å; V325-F330 HydrophobicContact CG2-CE2 4.03Å; V325-F330 HydrophobicContact CG2-CZ 4.03Å
326L80.1Confident76.3Confident148 Ų14882.8 Ų82.878%0.77543%0.431SS*.THydrogen-bonded Turntrans-92.35.9178.8-63.6175.1000113T322 K323 A324T322-L326 WeakPolarHBondContact O-CD1 3.09Å; T322-L326 WeakPolarHBondContact O-CG 3.29Å; K323-L326 PolarHBondContact O-N 3.27Å; A324-L326 VanDerWaalsContact C-N 3.26Å; A324-L326 PolarHBondContact O-N 3.14Å
327T84.6Confident77.3Confident19 Ų1977.1 Ų77.112%0.11741%0.405CS..SBendtrans-86149.7-179.565.30000111.5A324 V325 G329 F330 A331A324-T327 WeakPolarHBondContact O-CG2 3.49Å; A324-T327 PolarHBondContact O-N 3.43Å; A324-T327 PolarHBondContact O-OG1 3.37Å; V325-T327 VanDerWaalsContact C-N 3.34Å; T327-G329 PolarHBondContact O-N 3.16Å; T327-F330 PolarHBondContact O-N 3.08Å; T327-F330 PolarHBondContact OG1-N 3.17Å; T327-A331 PolarHBondContact O-N 3.16Å
328D86.4Confident78.7Confident143 Ų14378.2 Ų78.277%0.76540%0.403SS*.Hα-helixtrans-59.4-32.4172.8-69.3-25.9000111.6F330 A331 R332D328-F330 VanDerWaalsContact C-N 3.33Å; D328-F330 PolarHBondContact O-N 3.49Å; D328-A331 PolarHBondContact O-N 3.36Å; D328-R332 PolarHBondContact O-N 2.95Å
329G85.2Confident80.2Confident5 Ų575.1 Ų75.15%0.05239%0.386CS..Hα-helixtrans-60.3-39.7173.300000112.5T327 R332 L333T327-G329 PolarHBondContact O-N 3.16Å; G329-R332 PolarHBondContact O-N 2.79Å; G329-L333 PolarHBondContact O-N 3.25Å
330F85.8Confident81.5Confident29 Ų2968.8 Ų68.813%0.12735%0.353CS..Hα-helixtrans-70.2-36.7176.8-168.1-89.6000112.4A292 F314 A324 V325 T327 D328 R332 L333 A334 L341 L344A292-F330 HydrophobicContact CB-CB 4.25Å; F314-F330 AromaticContact CE1-CD2 3.8Å; F314-F330 HydrophobicContact CE1-CD2 3.8Å; F314-F330 AromaticContact CE1-CE2 3.96Å; F314-F330 HydrophobicContact CE1-CE2 3.96Å; F314-F330 AromaticContact CZ-CD2 3.95Å; F314-F330 HydrophobicContact CZ-CD2 3.95Å; F314-F330 HydrophobicContact CZ-CE2 4.25Å; A324-F330 WeakPolarHBondContact O-CB 3.47Å; V325-F330 HydrophobicContact CB-CD1 4.37Å; V325-F330 HydrophobicContact CB-CE1 4.42Å; V325-F330 HydrophobicContact CG1-CD1 4Å; V325-F330 HydrophobicContact CG1-CE1 3.85Å; V325-F330 HydrophobicContact CG1-CZ 4.35Å; V325-F330 HydrophobicContact CG2-CD2 4.34Å; V325-F330 HydrophobicContact CG2-CE1 4.32Å; V325-F330 HydrophobicContact CG2-CE2 4.03Å; V325-F330 HydrophobicContact CG2-CZ 4.03Å; T327-F330 PolarHBondContact O-N 3.08Å; T327-F330 PolarHBondContact OG1-N 3.17Å; D328-F330 VanDerWaalsContact C-N 3.33Å; D328-F330 PolarHBondContact O-N 3.49Å; F330-R332 VanDerWaalsContact C-N 3.31Å; F330-R332 PolarHBondContact O-N 3.07Å; F330-L333 HydrophobicContact CD2-CD2 4.09Å; F330-L333 HydrophobicContact CE2-CD2 4.11Å; F330-L333 WeakPolarHBondContact O-CB 3.49Å; F330-L333 PolarHBondContact O-N 2.88Å; F330-A334 PolarHBondContact O-N 3.33Å; F330-L341 HydrophobicContact CE1-CD2 4.09Å; F330-L341 HydrophobicContact CZ-CD2 3.75Å; F330-L344 HydrophobicContact CE2-CD1 3.95Å; F330-L344 HydrophobicContact CZ-CD1 4.34Å
331A87.8Confident83Confident53 Ų5366.5 Ų66.544%0.43835%0.345SS..Hα-helixtrans-61.1-42.3173.300000111.3T327 D328 A334 L335T327-A331 PolarHBondContact O-N 3.16Å; D328-A331 PolarHBondContact O-N 3.36Å; A331-A334 PolarHBondContact O-N 2.64Å; A331-L335 WeakPolarHBondContact O-CG 3.43Å; A331-L335 PolarHBondContact O-N 2.95Å
332R89.5Confident84.3Confident106 Ų10666.6 Ų66.640%0.435%0.349SS..Hα-helixtrans-61.6-43.9172.3-82.8172.745.5-135.1-20.2112.5D293 I296 D328 G329 F330 A334 L335 E336D293-R332 IonicContact OD1-CZ 3.83Å; D293-R332 IonicContact OD1-NH1 3.07Å; D293-R332 PolarHBondContact OD1-NH1 3.12Å; D293-R332 IonicContact OD1-NH2 2.75Å; D293-R332 PolarHBondContact OD1-NH2 3.45Å; I296-R332 HydrophobicContact CD1-CB 3.84Å; D328-R332 PolarHBondContact O-N 2.95Å; G329-R332 PolarHBondContact O-N 2.79Å; F330-R332 VanDerWaalsContact C-N 3.31Å; F330-R332 PolarHBondContact O-N 3.07Å; R332-A334 VanDerWaalsContact C-N 3.28Å; R332-A334 PolarHBondContact O-N 3.04Å; R332-L335 PolarHBondContact O-N 3.16Å; R332-L335 VanDerWaalsContact O-N 3.08Å; R332-E336 PolarHBondContact O-N 2.94Å
333L89.2Confident85.4Confident0 Ų065.4 Ų65.40%034%0.337CS..Hα-helixtrans-57.3-44.2177.4178.373.8000111.2L295 I296 G329 F330 L335 F337 I340 L344L295-L333 HydrophobicContact CB-CD1 4.35Å; L295-L333 HydrophobicContact CD2-CD1 4.09Å; L295-L333 HydrophobicContact CD2-CD2 3.75Å; L295-L333 HydrophobicContact CG-CD1 3.89Å; L295-L333 HydrophobicContact CG-CD2 4.43Å; I296-L333 HydrophobicContact CD1-CB 4.07Å; I296-L333 HydrophobicContact CG1-CB 3.99Å; I296-L333 HydrophobicContact CG1-CD1 3.66Å; I296-L333 HydrophobicContact CG1-CG 4.47Å; G329-L333 PolarHBondContact O-N 3.25Å; F330-L333 HydrophobicContact CD2-CD2 4.09Å; F330-L333 HydrophobicContact CE2-CD2 4.11Å; F330-L333 WeakPolarHBondContact O-CB 3.49Å; F330-L333 PolarHBondContact O-N 2.88Å; L333-L335 VanDerWaalsContact C-N 3.28Å; L333-L335 PolarHBondContact O-N 2.82Å; L333-F337 HydrophobicContact CD1-CD2 4.37Å; L333-F337 CarbonylContact O-C 3.52Å; L333-F337 PolarHBondContact O-N 3.06Å; L333-I340 HydrophobicContact CD1-CD1 4Å; L333-I340 HydrophobicContact CD1-CG2 4.16Å; L333-I340 HydrophobicContact CD2-CG2 4.18Å; L333-I340 HydrophobicContact CG-CG2 4.37Å; L333-L344 HydrophobicContact CD2-CD1 4.26Å
334A88.3Confident86Confident31 Ų3160.4 Ų60.426%0.25632%0.316SS..Hα-helixtrans-64.9-31178.400000113.3F330 A331 R332 L341F330-A334 PolarHBondContact O-N 3.33Å; A331-A334 PolarHBondContact O-N 2.64Å; R332-A334 VanDerWaalsContact C-N 3.28Å; R332-A334 PolarHBondContact O-N 3.04Å; A334-L341 HydrophobicContact CB-CD1 3.88Å; A334-L341 HydrophobicContact CB-CD2 4.18Å; A334-L341 HydrophobicContact CB-CG 4.45Å
335L90.6Very high86.3Confident145 Ų14568.2 Ų68.276%0.75935%0.345SS*.Hα-helixtrans-80.4-45.6178.9-72.4169.4000112.3A331 R332 L333A331-L335 WeakPolarHBondContact O-CG 3.43Å; A331-L335 PolarHBondContact O-N 2.95Å; R332-L335 PolarHBondContact O-N 3.16Å; R332-L335 VanDerWaalsContact O-N 3.08Å; L333-L335 VanDerWaalsContact C-N 3.28Å; L333-L335 PolarHBondContact O-N 2.82Å
336E90.5Very high86.5Confident92 Ų9273 Ų7343%0.4336%0.363SS..Hα-helixtrans-77.3-37.3-176.3-70.3179.6-158.500112.3I296 R332I296-E336 WeakPolarHBondContact CG2-OE2 3.36Å; R332-E336 PolarHBondContact O-N 2.94Å
337F92Very high86.1Confident26 Ų2672 Ų7211%0.11435%0.352CS..  trans-134.471.2-173.1-56.1-64.7000112.7I296 E299 T300 L333 W339 I340I296-F337 HydrophobicContact CB-CE2 4.39Å; I296-F337 HydrophobicContact CG1-CD2 4.37Å; I296-F337 HydrophobicContact CG1-CE2 4.45Å; I296-F337 HydrophobicContact CG2-CE2 4.11Å; E299-F337 HydrophobicContact CB-CD1 4.5Å; E299-F337 HydrophobicContact CB-CD2 4.28Å; E299-F337 HydrophobicContact CB-CE1 4.35Å; E299-F337 HydrophobicContact CB-CE2 4.14Å; E299-F337 HydrophobicContact CB-CG 4.45Å; E299-F337 HydrophobicContact CB-CZ 4.17Å; E299-F337 HydrophobicContact CG-CD1 3.74Å; E299-F337 HydrophobicContact CG-CD2 4.35Å; E299-F337 HydrophobicContact CG-CE1 3.75Å; E299-F337 HydrophobicContact CG-CE2 4.36Å; E299-F337 HydrophobicContact CG-CG 4.03Å; E299-F337 HydrophobicContact CG-CZ 4.08Å; T300-F337 WeakPolarHBondContact OG1-CZ 3.39Å; L333-F337 HydrophobicContact CD1-CD2 4.37Å; L333-F337 CarbonylContact O-C 3.52Å; L333-F337 PolarHBondContact O-N 3.06Å; F337-W339 HydrophobicContact CB-CZ2 4.36Å; F337-W339 AromaticContact CD1-CH2 3.58Å; F337-W339 HydrophobicContact CD1-CH2 3.58Å; F337-W339 AromaticContact CD1-CZ2 3.38Å; F337-W339 HydrophobicContact CD1-CZ2 3.38Å; F337-W339 HydrophobicContact CD1-CZ3 4.45Å; F337-W339 HydrophobicContact CE1-CH2 4.25Å; F337-W339 HydrophobicContact CE1-CZ2 4.11Å; F337-W339 HydrophobicContact CG-CZ2 4.32Å; F337-W339 PolarHBondContact O-N 3.31Å; F337-W339 VanDerWaalsContact O-N 3.11Å; F337-I340 HydrophobicContact CB-CB 4.24Å; F337-I340 HydrophobicContact CB-CD1 3.58Å; F337-I340 HydrophobicContact CB-CG1 3.82Å; F337-I340 HydrophobicContact CD2-CD1 4.29Å; F337-I340 HydrophobicContact CG-CD1 4.01Å; F337-I340 WeakPolarHBondContact O-CB 3.45Å; F337-I340 PolarHBondContact O-N 2.83Å
338P89.1Confident85.1Confident69 Ų6973 Ų7345%0.44836%0.358SS..Hα-helixtrans-57.3-32.2-176.1-25.233.8000114.2I340 L341P338-I340 VanDerWaalsContact C-N 3.28Å; P338-I340 PolarHBondContact O-N 2.77Å; P338-L341 VanDerWaalsContact O-CB 3.29Å; P338-L341 WeakPolarHBondContact O-CB 3.47Å; P338-L341 PolarHBondContact O-N 3.01Å; P338-L341 VanDerWaalsContact O-N 3.17Å
339W90Very high83.6Confident125 Ų12568.8 Ų68.847%0.47335%0.35SS..Hα-helixtrans-68.4-25.1179.459.389.1000113.4E299 F337 L341 D342 E343E299-W339 PolarHBondContact OE1-NE1 3.19Å; F337-W339 HydrophobicContact CB-CZ2 4.36Å; F337-W339 AromaticContact CD1-CH2 3.58Å; F337-W339 HydrophobicContact CD1-CH2 3.58Å; F337-W339 AromaticContact CD1-CZ2 3.38Å; F337-W339 HydrophobicContact CD1-CZ2 3.38Å; F337-W339 HydrophobicContact CD1-CZ3 4.45Å; F337-W339 HydrophobicContact CE1-CH2 4.25Å; F337-W339 HydrophobicContact CE1-CZ2 4.11Å; F337-W339 HydrophobicContact CG-CZ2 4.32Å; F337-W339 PolarHBondContact O-N 3.31Å; F337-W339 VanDerWaalsContact O-N 3.11Å; W339-L341 PolarHBondContact O-N 3.2Å; W339-D342 PolarHBondContact O-N 2.88Å; W339-E343 PolarHBondContact O-N 2.86Å
340I88.1Confident81.8Confident0 Ų071.8 Ų71.80%038%0.38CS..Hα-helixtrans-63-28.2175-69.7-176.4000110.4L295 E299 L311 L333 F337 P338 D342 E343 L344L295-I340 HydrophobicContact CD1-CD1 4.49Å; L295-I340 HydrophobicContact CD2-CG2 3.83Å; L295-I340 HydrophobicContact CG-CD1 4.43Å; L295-I340 HydrophobicContact CG-CG2 4.39Å; E299-I340 HydrophobicContact CB-CD1 3.87Å; E299-I340 HydrophobicContact CG-CD1 3.84Å; L311-I340 HydrophobicContact CD2-CG2 4.14Å; L333-I340 HydrophobicContact CD1-CD1 4Å; L333-I340 HydrophobicContact CD1-CG2 4.16Å; L333-I340 HydrophobicContact CD2-CG2 4.18Å; L333-I340 HydrophobicContact CG-CG2 4.37Å; F337-I340 HydrophobicContact CB-CB 4.24Å; F337-I340 HydrophobicContact CB-CD1 3.58Å; F337-I340 HydrophobicContact CB-CG1 3.82Å; F337-I340 HydrophobicContact CD2-CD1 4.29Å; F337-I340 HydrophobicContact CG-CD1 4.01Å; F337-I340 WeakPolarHBondContact O-CB 3.45Å; F337-I340 PolarHBondContact O-N 2.83Å; P338-I340 VanDerWaalsContact C-N 3.28Å; P338-I340 PolarHBondContact O-N 2.77Å; I340-D342 VanDerWaalsContact C-N 3.27Å; I340-D342 PolarHBondContact O-N 2.67Å; I340-E343 PolarHBondContact O-N 3.13Å; I340-L344 HydrophobicContact CG2-CD1 4.05Å; I340-L344 HydrophobicContact CG2-CG 4.22Å; I340-L344 WeakPolarHBondContact O-CB 3.46Å; I340-L344 WeakPolarHBondContact O-CG 3.45Å; I340-L344 PolarHBondContact O-N 3.37Å
341L84.9Confident79.7Confident49 Ų4975.7 Ų75.726%0.25741%0.411SS..Hα-helixtrans-65.5-32.6175.7-57.7178.8000112.3F330 A334 P338 W339 R345F330-L341 HydrophobicContact CE1-CD2 4.09Å; F330-L341 HydrophobicContact CZ-CD2 3.75Å; A334-L341 HydrophobicContact CB-CD1 3.88Å; A334-L341 HydrophobicContact CB-CD2 4.18Å; A334-L341 HydrophobicContact CB-CG 4.45Å; P338-L341 VanDerWaalsContact O-CB 3.29Å; P338-L341 WeakPolarHBondContact O-CB 3.47Å; P338-L341 PolarHBondContact O-N 3.01Å; P338-L341 VanDerWaalsContact O-N 3.17Å; W339-L341 PolarHBondContact O-N 3.2Å; L341-R345 WeakPolarHBondContact O-CB 3.49Å; L341-R345 PolarHBondContact O-N 3.03Å; L341-R345 VanDerWaalsContact O-N 3.07Å
342D85.6Confident77Confident87 Ų8781 Ų8147%0.46546%0.455SS..Hα-helixtrans-73.5-43.5175.5-65.9-32.1000110.4W339 I340 L344 R345 E346W339-D342 PolarHBondContact O-N 2.88Å; I340-D342 VanDerWaalsContact C-N 3.27Å; I340-D342 PolarHBondContact O-N 2.67Å; D342-L344 VanDerWaalsContact C-N 3.32Å; D342-L344 PolarHBondContact O-N 3.44Å; D342-R345 WeakPolarHBondContact O-CB 3.07Å; D342-R345 PolarHBondContact O-N 2.91Å; D342-R345 IonicContact OD1-CZ 3.8Å; D342-R345 IonicContact OD1-NH2 3.45Å; D342-R345 PolarHBondContact OD1-NH2 2.75Å; D342-E346 PolarHBondContact O-N 3.49Å
343E86.2Confident76.4Confident63 Ų6379.7 Ų79.729%0.29446%0.457SS..Hα-helixtrans-58.1-43.1173.3-69.9-175.3-140.400112.1K307 L311 W339 I340 R345 E346 K347K307-E343 WeakPolarHBondContact CE-OE2 3.42Å; K307-E343 IonicContact NZ-OE1 3.05Å; K307-E343 PolarHBondContact NZ-OE1 3.27Å; K307-E343 IonicContact NZ-OE2 3.87Å; K307-E343 PolarHBondContact NZ-OE2 2.83Å; L311-E343 WeakPolarHBondContact CD1-OE2 3.41Å; W339-E343 PolarHBondContact O-N 2.86Å; I340-E343 PolarHBondContact O-N 3.13Å; E343-R345 VanDerWaalsContact C-N 3.3Å; E343-R345 PolarHBondContact O-N 2.81Å; E343-E346 PolarHBondContact O-N 3.17Å; E343-K347 WeakPolarHBondContact O-CB 3.39Å; E343-K347 PolarHBondContact O-N 2.9Å
344L83.7Confident75.7Confident14 Ų1483.9 Ų83.97%0.07348%0.482CS..Hα-helixtrans-62.5-38.3174.6-78.4171.4000111.5L311 F314 F330 L333 I340 D342 V348L311-L344 HydrophobicContact CD2-CD2 3.48Å; L311-L344 VanDerWaalsContact CD2-CD2 3.48Å; L311-L344 HydrophobicContact CD2-CG 3.71Å; F314-L344 HydrophobicContact CB-CD2 3.49Å; F314-L344 VanDerWaalsContact CB-CD2 3.49Å; F314-L344 HydrophobicContact CD2-CD2 3.72Å; F314-L344 HydrophobicContact CG-CD2 3.73Å; F330-L344 HydrophobicContact CE2-CD1 3.95Å; F330-L344 HydrophobicContact CZ-CD1 4.34Å; L333-L344 HydrophobicContact CD2-CD1 4.26Å; I340-L344 HydrophobicContact CG2-CD1 4.05Å; I340-L344 HydrophobicContact CG2-CG 4.22Å; I340-L344 WeakPolarHBondContact O-CB 3.46Å; I340-L344 WeakPolarHBondContact O-CG 3.45Å; I340-L344 PolarHBondContact O-N 3.37Å; D342-L344 VanDerWaalsContact C-N 3.32Å; D342-L344 PolarHBondContact O-N 3.44Å; L344-V348 WeakPolarHBondContact O-CB 3.18Å; L344-V348 WeakPolarHBondContact O-CG2 3.4Å; L344-V348 PolarHBondContact O-N 3.47Å
345R79.4Confident75Confident168 Ų16886.8 Ų86.863%0.63449%0.494SS*.Hα-helixtrans-68.4-42.3179.6-154.2-179.4-57.9159.611.9111.4L341 D342 E343 V348 G349L341-R345 WeakPolarHBondContact O-CB 3.49Å; L341-R345 PolarHBondContact O-N 3.03Å; L341-R345 VanDerWaalsContact O-N 3.07Å; D342-R345 WeakPolarHBondContact O-CB 3.07Å; D342-R345 PolarHBondContact O-N 2.91Å; D342-R345 IonicContact OD1-CZ 3.8Å; D342-R345 IonicContact OD1-NH2 3.45Å; D342-R345 PolarHBondContact OD1-NH2 2.75Å; E343-R345 VanDerWaalsContact C-N 3.3Å; E343-R345 PolarHBondContact O-N 2.81Å; R345-V348 PolarHBondContact O-N 2.78Å; R345-G349 PolarHBondContact O-N 3.27Å
346E80.4Confident74.1Confident161 Ų16183.4 Ų83.475%0.75248%0.478SS*.Hα-helixtrans-62.4-46.8174.2-72.5-167.1159.800111.7D342 E343 V348 G349 G350D342-E346 PolarHBondContact O-N 3.49Å; E343-E346 PolarHBondContact O-N 3.17Å; E346-V348 VanDerWaalsContact C-N 3.3Å; E346-V348 PolarHBondContact O-N 3.28Å; E346-G349 PolarHBondContact O-N 3.12Å; E346-G350 PolarHBondContact O-N 3.3Å
347K71.1Confident73.1Confident126 Ų12682.9 Ų82.955%0.54848%0.481SS..Hα-helixtrans-61.8-37.2179.9-94.8-76.3177.8-179.30113.2E343E343-K347 WeakPolarHBondContact O-CB 3.39Å; E343-K347 PolarHBondContact O-N 2.9Å
348V63.7Low71.8Confident40 Ų4086.7 Ų86.724%0.24251%0.506CS..Hα-helixtrans-87.4-28-178.4-174.60000112.3K321 L344 R345 E346 G350K321-V348 HydrophobicContact CD-CG1 4.14Å; L344-V348 WeakPolarHBondContact O-CB 3.18Å; L344-V348 WeakPolarHBondContact O-CG2 3.4Å; L344-V348 PolarHBondContact O-N 3.47Å; R345-V348 PolarHBondContact O-N 2.78Å; E346-V348 VanDerWaalsContact C-N 3.3Å; E346-V348 PolarHBondContact O-N 3.28Å; V348-G350 VanDerWaalsContact C-N 3.26Å; V348-G350 PolarHBondContact O-N 3.05Å
349G55.5Low70.6Confident56 Ų5687.9 Ų87.958%0.57751%0.51SS*.Hα-helixtrans-70.8-18.5176.500000114.2R345 E346 S351R345-G349 PolarHBondContact O-N 3.27Å; E346-G349 PolarHBondContact O-N 3.12Å; G349-S351 PolarHBondContact O-N 3.04Å
350G47.4Very low69.1Low68 Ų6885.1 Ų85.170%0.70151%0.513SS*.THydrogen-bonded Turntrans-80.70.4-177.300000116.9E346 V348E346-G350 PolarHBondContact O-N 3.3Å; V348-G350 VanDerWaalsContact C-N 3.26Å; V348-G350 PolarHBondContact O-N 3.05Å
351S40.2Very low67.5Low111 Ų11192.2 Ų92.278%0.77656%0.556SS**THydrogen-bonded Turntrans-11226.4-178.6-700000114.1G349G349-S351 PolarHBondContact O-N 3.04Å
352A32.1Very low65.9Low163 Ų16396.1 Ų96.1100%1.34758%0.583SS**  trans-95.80175.800000112.5

Retrieved 352 of 352 residues in 143.1 ms (Link to these results)

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