A0A087Y503_POEFO Loading...

ADP-ribosylation factor-binding protein GGA3-like

AlphaFold DB , UniProt , Accession A0A087Y503, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 617 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
1M35.7Very low57.3Low238 Ų238120.8 Ų120.8100%1.17264%0.639SS**  0120.80-66.2159.673.700105.9
2A33.9Very low60.3Low99 Ų99113.6 Ų113.682%0.81861%0.606SS**  trans-92.7131172.900000107.7D4A2-D4 PolarHBondContact O-N 3.42Å
3N38.8Very low62.7Low158 Ų158109.5 Ų109.585%0.84558%0.577SS**  trans-79112.5162.9-732.1000106.1D5N3-D5 PolarHBondContact O-N 2.74Å
4D38.9Very low64.9Low132 Ų132102 Ų10271%0.70654%0.537SS*.  trans-74.7106172.1-178.942.5000108A2 S6A2-D4 PolarHBondContact O-N 3.42Å; D4-S6 PolarHBondContact O-N 3.37Å; D4-S6 WeakPolarHBondContact OD2-CB 3.19Å; D4-S6 PolarHBondContact OD2-OG 2.85Å
5D39Very low66.8Low167 Ų167100.9 Ų100.989%0.89353%0.532SS*.  trans-81.845.2-179.5-147.121.3000110.1N3 R7N3-D5 PolarHBondContact O-N 2.74Å; D5-R7 PolarHBondContact O-N 3.46Å
6S47.1Very low68.3Low67 Ų6799.6 Ų99.647%0.46952%0.52SS..  trans-73.3122.9-177.444.60000109.9D4 D8D4-S6 PolarHBondContact O-N 3.37Å; D4-S6 WeakPolarHBondContact OD2-CB 3.19Å; D4-S6 PolarHBondContact OD2-OG 2.85Å; S6-D8 PolarHBondContact O-N 3.01Å
7R56.3Low69.7Low235 Ų23593.8 Ų93.889%0.88749%0.49SS*.  trans-55.7113.3174.7-67.4179.2179.8171.5-0.4108.7D5 T9D5-R7 PolarHBondContact O-N 3.46Å; R7-T9 PolarHBondContact O-N 3.5Å
8D72.7Confident70.9Confident54 Ų5488.6 Ų88.629%0.28946%0.463SS..  trans-59.9105.7-177.4-93.4-40.5000111.1S6 S12 W13 K16 L36S6-D8 PolarHBondContact O-N 3.01Å; D8-S12 VanDerWaalsContact OD1-CB 3.31Å; D8-S12 WeakPolarHBondContact OD1-CB 3.33Å; D8-S12 PolarHBondContact OD1-OG 3.33Å; D8-W13 HydrophobicContact CB-CD2 4.33Å; D8-W13 HydrophobicContact CB-CG 4.48Å; D8-W13 HydrophobicContact CB-CZ2 3.95Å; D8-W13 VanDerWaalsContact CB-NE1 3.34Å; D8-W13 PolarHBondContact O-NE1 2.94Å; D8-K16 IonicContact OD1-NZ 2.7Å; D8-K16 PolarHBondContact OD1-NZ 3.47Å; D8-K16 IonicContact OD2-NZ 3.42Å; D8-K16 PolarHBondContact OD2-NZ 2.9Å; D8-L36 WeakPolarHBondContact O-CD2 3.35Å
9T88.1Confident72Confident76 Ų7687.3 Ų87.347%0.46646%0.457SS..  trans-74.3166.6178.663.40000111.4R7 E11 S12 W13R7-T9 PolarHBondContact O-N 3.5Å; T9-E11 PolarHBondContact O-N 3.33Å; T9-E11 VanDerWaalsContact O-N 3.16Å; T9-E11 PolarHBondContact OG1-N 3.43Å; T9-S12 WeakPolarHBondContact O-CB 3.47Å; T9-S12 PolarHBondContact O-N 3.46Å; T9-S12 PolarHBondContact OG1-N 2.97Å; T9-S12 VanDerWaalsContact OG1-N 3.12Å; T9-W13 PolarHBondContact O-N 3.44Å
10L88.8Confident72.9Confident6 Ų684.4 Ų84.43%0.03144%0.443CS..Hα-helixtrans-52.2-34.9168.9-72176.1000112.3L14 F33 L36 V37 E40 I46 L50L10-L14 VanDerWaalsContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CB 3.28Å; L10-L14 PolarHBondContact O-N 3.29Å; L10-F33 HydrophobicContact CB-CD2 4.45Å; L10-F33 HydrophobicContact CB-CE2 4.02Å; L10-F33 HydrophobicContact CD2-CD2 3.84Å; L10-F33 HydrophobicContact CD2-CE2 3.79Å; L10-F33 HydrophobicContact CD2-CZ 4.47Å; L10-F33 HydrophobicContact CG-CE2 4.49Å; L10-F33 WeakPolarHBondContact O-CD2 3.32Å; L10-F33 WeakPolarHBondContact O-CE2 3.48Å; L10-L36 HydrophobicContact CD2-CB 3.83Å; L10-L36 HydrophobicContact CD2-CD2 3.83Å; L10-L36 HydrophobicContact CD2-CG 3.77Å; L10-L36 HydrophobicContact CG-CD2 3.86Å; L10-L36 HydrophobicContact CG-CG 4.04Å; L10-V37 HydrophobicContact CD1-CG2 4.49Å; L10-V37 HydrophobicContact CD2-CG2 3.47Å; L10-V37 VanDerWaalsContact CD2-CG2 3.47Å; L10-E40 VanDerWaalsContact CD1-OE2 3.25Å; L10-E40 WeakPolarHBondContact CD1-OE2 3.4Å; L10-I46 HydrophobicContact CD1-CB 4.07Å; L10-I46 HydrophobicContact CD1-CG2 3.83Å; L10-L50 HydrophobicContact CB-CD1 4.15Å
11E91.2Very high73.6Confident97 Ų9787.9 Ų87.945%0.45346%0.457SS..Hα-helixtrans-71.4-39.9177.2-64.3-178.2178.400112T9 N15 L50T9-E11 PolarHBondContact O-N 3.33Å; T9-E11 VanDerWaalsContact O-N 3.16Å; T9-E11 PolarHBondContact OG1-N 3.43Å; E11-N15 WeakPolarHBondContact O-CB 3.25Å; E11-N15 VanDerWaalsContact O-CG 3.29Å; E11-N15 PolarHBondContact O-N 3.13Å; E11-N15 PolarHBondContact O-ND2 2.93Å; E11-L50 HydrophobicContact CG-CD1 3.5Å; E11-L50 HydrophobicContact CG-CD2 3.75Å; E11-L50 HydrophobicContact CG-CG 4.27Å
12S92.6Very high76.1Confident34 Ų3477.7 Ų77.724%0.23841%0.407CS..Hα-helixtrans-62.5-53.1173.9-174.60000111.4D8 T9 L14 N15 K16D8-S12 VanDerWaalsContact OD1-CB 3.31Å; D8-S12 WeakPolarHBondContact OD1-CB 3.33Å; D8-S12 PolarHBondContact OD1-OG 3.33Å; T9-S12 WeakPolarHBondContact O-CB 3.47Å; T9-S12 PolarHBondContact O-N 3.46Å; T9-S12 PolarHBondContact OG1-N 2.97Å; T9-S12 VanDerWaalsContact OG1-N 3.12Å; S12-L14 PolarHBondContact O-N 3.23Å; S12-N15 PolarHBondContact O-N 2.89Å; S12-K16 WeakPolarHBondContact O-CG 3.43Å; S12-K16 PolarHBondContact O-N 3.44Å; S12-K16 VanDerWaalsContact OG-CE 3.28Å; S12-K16 WeakPolarHBondContact OG-CE 3.44Å
13W91.9Very high78.4Confident61 Ų6182 Ų8223%0.23141%0.411CS..Hα-helixtrans-59.6-44.4179.7-77.6120.1000112.7D8 T9 K16 A17 C29 F33D8-W13 HydrophobicContact CB-CD2 4.33Å; D8-W13 HydrophobicContact CB-CG 4.48Å; D8-W13 HydrophobicContact CB-CZ2 3.95Å; D8-W13 VanDerWaalsContact CB-NE1 3.34Å; D8-W13 PolarHBondContact O-NE1 2.94Å; T9-W13 PolarHBondContact O-N 3.44Å; W13-K16 HydrophobicContact CE3-CD 4.34Å; W13-K16 PolarHBondContact O-N 3.02Å; W13-A17 WeakPolarHBondContact O-CB 3.39Å; W13-A17 PolarHBondContact O-N 2.97Å; W13-C29 HydrophobicContact CE3-CB 3.99Å; W13-C29 HydrophobicContact CZ3-CB 4.27Å; W13-F33 HydrophobicContact CB-CB 3.96Å; W13-F33 HydrophobicContact CB-CD2 4.1Å
14L93.6Very high80.5Confident4 Ų482.2 Ų82.22%0.02141%0.407CS..Hα-helixtrans-66.6-38.8179.3-171.964.4000112L10 S12 A17 T18 F33 L50 L51 K54 V69L10-L14 VanDerWaalsContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CB 3.28Å; L10-L14 PolarHBondContact O-N 3.29Å; S12-L14 PolarHBondContact O-N 3.23Å; L14-A17 PolarHBondContact O-N 3.44Å; L14-T18 HydrophobicContact CD1-CG2 3.83Å; L14-T18 HydrophobicContact CG-CG2 4.29Å; L14-T18 WeakPolarHBondContact O-CB 3.26Å; L14-T18 WeakPolarHBondContact O-CG2 3.26Å; L14-T18 PolarHBondContact O-N 3.2Å; L14-T18 PolarHBondContact O-OG1 2.56Å; L14-F33 HydrophobicContact CB-CD2 3.95Å; L14-F33 HydrophobicContact CB-CE2 3.74Å; L14-F33 HydrophobicContact CB-CZ 4.46Å; L14-F33 HydrophobicContact CD1-CE2 4.27Å; L14-F33 HydrophobicContact CD1-CZ 4.22Å; L14-F33 HydrophobicContact CD2-CE2 4.39Å; L14-F33 HydrophobicContact CD2-CZ 4.44Å; L14-F33 HydrophobicContact CG-CE2 4.35Å; L14-L50 HydrophobicContact CD2-CB 3.56Å; L14-L51 HydrophobicContact CD1-CD2 3.68Å; L14-L51 HydrophobicContact CD1-CG 4.48Å; L14-L51 HydrophobicContact CD2-CD2 4.44Å; L14-K54 HydrophobicContact CD2-CG 3.82Å; L14-K54 HydrophobicContact CG-CG 4.2Å; L14-V69 HydrophobicContact CD1-CB 4.35Å; L14-V69 HydrophobicContact CD1-CG1 3.93Å; L14-V69 HydrophobicContact CD1-CG2 4.2Å
15N93.4Very high82.6Confident85 Ų8578.9 Ų78.946%0.45539%0.389SS..Hα-helixtrans-65.3-40.9176-77.7-41.8000111.9E11 S12 A17 T18 D19 K54E11-N15 WeakPolarHBondContact O-CB 3.25Å; E11-N15 VanDerWaalsContact O-CG 3.29Å; E11-N15 PolarHBondContact O-N 3.13Å; E11-N15 PolarHBondContact O-ND2 2.93Å; S12-N15 PolarHBondContact O-N 2.89Å; N15-A17 PolarHBondContact O-N 3.21Å; N15-T18 PolarHBondContact O-N 3.06Å; N15-D19 PolarHBondContact O-N 2.94Å; N15-K54 WeakPolarHBondContact OD1-CE 3.47Å; N15-K54 PolarHBondContact OD1-NZ 2.94Å
16K90.8Very high84.9Confident80 Ų8075.6 Ų75.635%0.34836%0.364SS..Hα-helixtrans-62.6-39.6173.5-66.6171.2-173.9-179.80112.4D8 S12 W13 N22 C29D8-K16 IonicContact OD1-NZ 2.7Å; D8-K16 PolarHBondContact OD1-NZ 3.47Å; D8-K16 IonicContact OD2-NZ 3.42Å; D8-K16 PolarHBondContact OD2-NZ 2.9Å; S12-K16 WeakPolarHBondContact O-CG 3.43Å; S12-K16 PolarHBondContact O-N 3.44Å; S12-K16 VanDerWaalsContact OG-CE 3.28Å; S12-K16 WeakPolarHBondContact OG-CE 3.44Å; W13-K16 HydrophobicContact CE3-CD 4.34Å; W13-K16 PolarHBondContact O-N 3.02Å; K16-N22 PolarHBondContact O-ND2 3.4Å; K16-N22 VanDerWaalsContact O-ND2 3.12Å; K16-C29 HydrophobicContact CB-CB 4.2Å
17A91.6Very high86.9Confident2 Ų279.7 Ų79.72%0.01737%0.369CS..Hα-helixtrans-72.5-33.3179.400000113.7W13 L14 N15 N22 C29 I30 V69W13-A17 WeakPolarHBondContact O-CB 3.39Å; W13-A17 PolarHBondContact O-N 2.97Å; L14-A17 PolarHBondContact O-N 3.44Å; N15-A17 PolarHBondContact O-N 3.21Å; A17-N22 PolarHBondContact O-ND2 2.9Å; A17-C29 HydrophobicContact CB-CB 3.97Å; A17-I30 HydrophobicContact CB-CG1 4.19Å; A17-V69 HydrophobicContact CB-CG2 4.02Å
18T92.1Very high88.4Confident0 Ų072.4 Ų72.40%035%0.347CS..THydrogen-bonded Turntrans-106.418.6-172.160.60000114.4L14 N15 P20 K54 Q65 A66 V69L14-T18 HydrophobicContact CD1-CG2 3.83Å; L14-T18 HydrophobicContact CG-CG2 4.29Å; L14-T18 WeakPolarHBondContact O-CB 3.26Å; L14-T18 WeakPolarHBondContact O-CG2 3.26Å; L14-T18 PolarHBondContact O-N 3.2Å; L14-T18 PolarHBondContact O-OG1 2.56Å; N15-T18 PolarHBondContact O-N 3.06Å; T18-P20 WeakPolarHBondContact O-CD 3.35Å; T18-K54 WeakPolarHBondContact OG1-CD 3.47Å; T18-K54 VanDerWaalsContact OG1-CE 3.26Å; T18-K54 WeakPolarHBondContact OG1-CE 3.16Å; T18-K54 PolarHBondContact OG1-NZ 2.88Å; T18-Q65 HydrophobicContact CG2-CB 4.32Å; T18-A66 HydrophobicContact CG2-CB 3.94Å; T18-V69 HydrophobicContact CG2-CG2 4.27Å
19D91.6Very high89.2Confident63 Ų6370 Ų7034%0.33734%0.335SS..  trans-66.4121.1178.1-170.4-26.8000111.3N15 H21 N22 Q65N15-D19 PolarHBondContact O-N 2.94Å; D19-H21 PolarHBondContact O-N 2.7Å; D19-H21 WeakPolarHBondContact OD1-CB 3.4Å; D19-H21 IonicContact OD1-CE1 2.7Å; D19-H21 IonicContact OD1-CG 3.98Å; D19-H21 PolarHBondContact OD1-N 2.92Å; D19-H21 IonicContact OD1-ND1 2.67Å; D19-H21 PolarHBondContact OD1-ND1 3.01Å; D19-H21 IonicContact OD2-ND1 3.19Å; D19-N22 VanDerWaalsContact O-CB 3.26Å; D19-N22 WeakPolarHBondContact O-CB 3.21Å; D19-N22 PolarHBondContact O-N 3.41Å; D19-N22 PolarHBondContact O-ND2 2.69Å; D19-Q65 PolarHBondContact O-OE1 2.9Å
20P89.7Confident89.3Confident30 Ų3066.5 Ų66.520%0.19531%0.313CS..THydrogen-bonded Turntrans-53-23.8175.9-24.631.5000115.4T18 N22 K61 E62T18-P20 WeakPolarHBondContact O-CD 3.35Å; P20-N22 VanDerWaalsContact C-N 3.33Å; P20-K61 WeakPolarHBondContact O-CD 3.42Å; P20-K61 PolarHBondContact O-NZ 3.11Å; P20-E62 HydrophobicContact CG-CB 4.32Å
21H88.9Confident89.3Confident157 Ų15770.1 Ų70.173%0.72733%0.33SS*.THydrogen-bonded Turntrans-77.5-16.8178.8-55.290.7000113.1D19 Q23D19-H21 PolarHBondContact O-N 2.7Å; D19-H21 WeakPolarHBondContact OD1-CB 3.4Å; D19-H21 IonicContact OD1-CE1 2.7Å; D19-H21 IonicContact OD1-CG 3.98Å; D19-H21 PolarHBondContact OD1-N 2.92Å; D19-H21 IonicContact OD1-ND1 2.67Å; D19-H21 PolarHBondContact OD1-ND1 3.01Å; D19-H21 IonicContact OD2-ND1 3.19Å; H21-Q23 PolarHBondContact O-N 2.94Å
22N87.7Confident89.2Confident24 Ų2466.2 Ų66.213%0.12832%0.316CS..  trans-56.6133.3173.6-76.1-34.2000110.2K16 A17 D19 P20 R26 K61K16-N22 PolarHBondContact O-ND2 3.4Å; K16-N22 VanDerWaalsContact O-ND2 3.12Å; A17-N22 PolarHBondContact O-ND2 2.9Å; D19-N22 VanDerWaalsContact O-CB 3.26Å; D19-N22 WeakPolarHBondContact O-CB 3.21Å; D19-N22 PolarHBondContact O-N 3.41Å; D19-N22 PolarHBondContact O-ND2 2.69Å; P20-N22 VanDerWaalsContact C-N 3.33Å; N22-R26 WeakPolarHBondContact OD1-CG 3.47Å; N22-K61 PolarHBondContact O-NZ 3.22Å
23Q80.8Confident89.3Confident190 Ų19064.6 Ų64.689%0.88831%0.305SS*.SBendtrans-85.1-33.1176.9-64.5-170.9-1.300112H21H21-Q23 PolarHBondContact O-N 2.94Å
24E82.9Confident89.3Confident163 Ų16363.3 Ų63.376%0.76230%0.3SS*.SBendtrans-135.8167.9178.8-61.8-175.6165.300109.7R26E24-R26 PolarHBondContact O-N 3.47Å
25D84.7Confident89.2Confident61 Ų6168 Ų6833%0.32632%0.321SS..  trans-70.7124.2-178-67.7-32.3000111.8W27 I30 Q65D25-W27 VanDerWaalsContact C-N 3.29Å; D25-W27 PolarHBondContact O-N 2.96Å; D25-I30 HydrophobicContact CB-CD1 4.26Å; D25-Q65 WeakPolarHBondContact OD1-CG 3.46Å
26R87.3Confident89.1Confident99 Ų9965.3 Ų65.337%0.37431%0.306SS..  trans-79.372.2-176.6-72.8-65.4-58.1-82.9-1.3112.1N22 E24 D28 C29 I30N22-R26 WeakPolarHBondContact OD1-CG 3.47Å; E24-R26 PolarHBondContact O-N 3.47Å; R26-D28 IonicContact CZ-OD1 2.67Å; R26-D28 IonicContact CZ-OD2 3.86Å; R26-D28 IonicContact NE-OD1 2.67Å; R26-D28 PolarHBondContact NE-OD1 3.4Å; R26-D28 IonicContact NE-OD2 2.72Å; R26-D28 IonicContact NH2-OD1 3.54Å; R26-D28 IonicContact NH2-OD2 2.75Å; R26-D28 PolarHBondContact NH2-OD2 2.83Å; R26-D28 PolarHBondContact O-N 2.82Å; R26-D28 VanDerWaalsContact O-N 3.11Å; R26-C29 HydrophobicContact CB-CB 4.11Å; R26-C29 WeakPolarHBondContact O-CA 3.27Å; R26-C29 WeakPolarHBondContact O-CB 3.24Å; R26-C29 PolarHBondContact O-N 2.64Å; R26-I30 WeakPolarHBondContact O-CG1 3.36Å; R26-I30 PolarHBondContact O-N 3.39Å
27W87.7Confident89.2Confident153 Ų15361.6 Ų61.658%0.5829%0.29SS*.Hα-helixtrans-53.5-30-178.3-72.9101.7000114.6D25 I30 E31 T68 A72D25-W27 VanDerWaalsContact C-N 3.29Å; D25-W27 PolarHBondContact O-N 2.96Å; W27-I30 HydrophobicContact CD2-CD1 4.1Å; W27-I30 HydrophobicContact CE3-CB 4.35Å; W27-I30 HydrophobicContact CE3-CD1 4.01Å; W27-I30 HydrophobicContact CE3-CG2 4.2Å; W27-I30 HydrophobicContact CZ3-CD1 4.3Å; W27-I30 HydrophobicContact CZ3-CG2 4.21Å; W27-I30 PolarHBondContact O-N 3.44Å; W27-E31 VanDerWaalsContact O-CB 3.24Å; W27-E31 WeakPolarHBondContact O-CB 3.21Å; W27-E31 PolarHBondContact O-N 2.92Å; W27-T68 HydrophobicContact CH2-CG2 3.86Å; W27-T68 HydrophobicContact CZ2-CG2 3.93Å; W27-A72 HydrophobicContact CZ3-CB 4.26Å
28D87.6Confident89.1Confident81 Ų8165.6 Ų65.643%0.43331%0.31SS..Hα-helixtrans-62.6-42.117262.3-58.2000112.6R26 G32R26-D28 IonicContact CZ-OD1 2.67Å; R26-D28 IonicContact CZ-OD2 3.86Å; R26-D28 IonicContact NE-OD1 2.67Å; R26-D28 PolarHBondContact NE-OD1 3.4Å; R26-D28 IonicContact NE-OD2 2.72Å; R26-D28 IonicContact NH2-OD1 3.54Å; R26-D28 IonicContact NH2-OD2 2.75Å; R26-D28 PolarHBondContact NH2-OD2 2.83Å; R26-D28 PolarHBondContact O-N 2.82Å; R26-D28 VanDerWaalsContact O-N 3.11Å; D28-G32 PolarHBondContact O-N 3.21Å
29C90.2Very high89Confident3 Ų373.3 Ų73.32%0.0235%0.346CS..Hα-helixtrans-79.3-33177.5-64.60000112.3W13 K16 A17 R26 E31 G32 F33W13-C29 HydrophobicContact CE3-CB 3.99Å; W13-C29 HydrophobicContact CZ3-CB 4.27Å; K16-C29 HydrophobicContact CB-CB 4.2Å; A17-C29 HydrophobicContact CB-CB 3.97Å; R26-C29 HydrophobicContact CB-CB 4.11Å; R26-C29 WeakPolarHBondContact O-CA 3.27Å; R26-C29 WeakPolarHBondContact O-CB 3.24Å; R26-C29 PolarHBondContact O-N 2.64Å; C29-E31 VanDerWaalsContact C-N 3.35Å; C29-G32 PolarHBondContact O-N 3.37Å; C29-F33 WeakPolarHBondContact O-CB 3.46Å; C29-F33 PolarHBondContact O-N 3Å
30I90.8Very high88.9Confident3 Ų373.3 Ų73.32%0.01534%0.344CS..Hα-helixtrans-62.8-43.8171.9-61.8169.7000110A17 D25 R26 W27 F33 Y34 T68 V69 A72A17-I30 HydrophobicContact CB-CG1 4.19Å; D25-I30 HydrophobicContact CB-CD1 4.26Å; R26-I30 WeakPolarHBondContact O-CG1 3.36Å; R26-I30 PolarHBondContact O-N 3.39Å; W27-I30 HydrophobicContact CD2-CD1 4.1Å; W27-I30 HydrophobicContact CE3-CB 4.35Å; W27-I30 HydrophobicContact CE3-CD1 4.01Å; W27-I30 HydrophobicContact CE3-CG2 4.2Å; W27-I30 HydrophobicContact CZ3-CD1 4.3Å; W27-I30 HydrophobicContact CZ3-CG2 4.21Å; W27-I30 PolarHBondContact O-N 3.44Å; I30-F33 PolarHBondContact O-N 2.84Å; I30-Y34 HydrophobicContact CG2-CD1 4.25Å; I30-Y34 WeakPolarHBondContact O-CD1 3.19Å; I30-Y34 PolarHBondContact O-N 3.38Å; I30-T68 HydrophobicContact CD1-CG2 4.26Å; I30-V69 HydrophobicContact CG1-CG2 3.95Å; I30-A72 HydrophobicContact CG2-CB 3.46Å; I30-A72 VanDerWaalsContact CG2-CB 3.46Å
31E89.4Confident88.7Confident82 Ų8277 Ų7738%0.38337%0.366SS..Hα-helixtrans-65.8-44176.5-173.5-177.8-139.100112.2W27 C29 F33 Y34 K35W27-E31 VanDerWaalsContact O-CB 3.24Å; W27-E31 WeakPolarHBondContact O-CB 3.21Å; W27-E31 PolarHBondContact O-N 2.92Å; C29-E31 VanDerWaalsContact C-N 3.35Å; E31-F33 VanDerWaalsContact C-N 3.31Å; E31-F33 PolarHBondContact O-N 3.28Å; E31-Y34 HydrophobicContact CB-CE1 4.12Å; E31-Y34 HydrophobicContact CG-CE1 4.23Å; E31-Y34 HydrophobicContact CG-CE2 4.4Å; E31-K35 VanDerWaalsContact CD-CE 3.42Å; E31-K35 HydrophobicContact CG-CD 3.87Å; E31-K35 HydrophobicContact CG-CG 4.4Å; E31-K35 VanDerWaalsContact CG-NZ 3.34Å; E31-K35 WeakPolarHBondContact O-CB 3.44Å; E31-K35 VanDerWaalsContact O-CG 3.29Å; E31-K35 WeakPolarHBondContact O-CG 3.4Å; E31-K35 PolarHBondContact O-N 3.4Å; E31-K35 VanDerWaalsContact O-N 3.1Å; E31-K35 VanDerWaalsContact OE1-CE 3.22Å; E31-K35 WeakPolarHBondContact OE1-CE 3.47Å; E31-K35 IonicContact OE1-NZ 3.21Å; E31-K35 PolarHBondContact OE1-NZ 3.21Å; E31-K35 IonicContact OE2-NZ 2.71Å; E31-K35 PolarHBondContact OE2-NZ 3.01Å
32G88.6Confident88.7Confident16 Ų1674 Ų7417%0.16536%0.355CS..Hα-helixtrans-56.2-45.3172.500000112.4D28 C29 L36D28-G32 PolarHBondContact O-N 3.21Å; C29-G32 PolarHBondContact O-N 3.37Å; G32-L36 PolarHBondContact O-N 3.01Å
33F93.8Very high88.8Confident0 Ų072.9 Ų72.90%035%0.349CS..Hα-helixtrans-60.1-58.4177.3-175.2-103.5000112.2L10 W13 L14 C29 I30 E31 K35 L36 V37 A47 L51 V69L10-F33 HydrophobicContact CB-CD2 4.45Å; L10-F33 HydrophobicContact CB-CE2 4.02Å; L10-F33 HydrophobicContact CD2-CD2 3.84Å; L10-F33 HydrophobicContact CD2-CE2 3.79Å; L10-F33 HydrophobicContact CD2-CZ 4.47Å; L10-F33 HydrophobicContact CG-CE2 4.49Å; L10-F33 WeakPolarHBondContact O-CD2 3.32Å; L10-F33 WeakPolarHBondContact O-CE2 3.48Å; W13-F33 HydrophobicContact CB-CB 3.96Å; W13-F33 HydrophobicContact CB-CD2 4.1Å; L14-F33 HydrophobicContact CB-CD2 3.95Å; L14-F33 HydrophobicContact CB-CE2 3.74Å; L14-F33 HydrophobicContact CB-CZ 4.46Å; L14-F33 HydrophobicContact CD1-CE2 4.27Å; L14-F33 HydrophobicContact CD1-CZ 4.22Å; L14-F33 HydrophobicContact CD2-CE2 4.39Å; L14-F33 HydrophobicContact CD2-CZ 4.44Å; L14-F33 HydrophobicContact CG-CE2 4.35Å; C29-F33 WeakPolarHBondContact O-CB 3.46Å; C29-F33 PolarHBondContact O-N 3Å; I30-F33 PolarHBondContact O-N 2.84Å; E31-F33 VanDerWaalsContact C-N 3.31Å; E31-F33 PolarHBondContact O-N 3.28Å; F33-K35 VanDerWaalsContact C-N 3.31Å; F33-K35 PolarHBondContact O-N 3.06Å; F33-L36 PolarHBondContact O-N 2.76Å; F33-L36 VanDerWaalsContact O-N 3.13Å; F33-V37 HydrophobicContact CD1-CG2 4.21Å; F33-V37 HydrophobicContact CE1-CG2 3.97Å; F33-V37 HydrophobicContact CZ-CG2 4.18Å; F33-V37 WeakPolarHBondContact O-CG2 3.35Å; F33-V37 PolarHBondContact O-N 2.68Å; F33-A47 HydrophobicContact CE1-CB 4.08Å; F33-A47 HydrophobicContact CZ-CB 3.63Å; F33-L51 HydrophobicContact CE1-CD1 4.09Å; F33-L51 HydrophobicContact CE1-CG 4.36Å; F33-L51 HydrophobicContact CZ-CD1 4.41Å; F33-L51 HydrophobicContact CZ-CG 4.33Å; F33-V69 HydrophobicContact CD1-CG1 3.45Å; F33-V69 VanDerWaalsContact CD1-CG1 3.45Å; F33-V69 HydrophobicContact CE1-CG1 3.68Å; F33-V69 HydrophobicContact CG-CG1 4.26Å
34Y91.8Very high89.4Confident34 Ų3464.1 Ų64.113%0.13331%0.309CS..Hα-helixtrans-68.3-29.5-173.374.7-117.5000113.1I30 E31 V37 I38 A72 N76I30-Y34 HydrophobicContact CG2-CD1 4.25Å; I30-Y34 WeakPolarHBondContact O-CD1 3.19Å; I30-Y34 PolarHBondContact O-N 3.38Å; E31-Y34 HydrophobicContact CB-CE1 4.12Å; E31-Y34 HydrophobicContact CG-CE1 4.23Å; E31-Y34 HydrophobicContact CG-CE2 4.4Å; Y34-V37 PolarHBondContact O-N 3.28Å; Y34-I38 HydrophobicContact CD2-CD1 4.26Å; Y34-I38 WeakPolarHBondContact O-CD1 3.37Å; Y34-I38 WeakPolarHBondContact O-CG1 3.39Å; Y34-I38 PolarHBondContact O-N 2.93Å; Y34-I38 VanDerWaalsContact O-N 3.14Å; Y34-A72 HydrophobicContact CD1-CB 4.28Å; Y34-N76 HydrophobicContact CD1-CB 4.42Å; Y34-N76 HydrophobicContact CD2-CB 3.51Å; Y34-N76 HydrophobicContact CE1-CB 4.45Å; Y34-N76 HydrophobicContact CE2-CB 3.57Å; Y34-N76 HydrophobicContact CG-CB 3.99Å
35K91.6Very high89.8Confident103 Ų10361.3 Ų61.345%0.44830%0.296SS..Hα-helixtrans-62.1-43.3171.6-75.3175.1-179.51690111.7E31 F33 I38 Q39E31-K35 VanDerWaalsContact CD-CE 3.42Å; E31-K35 HydrophobicContact CG-CD 3.87Å; E31-K35 HydrophobicContact CG-CG 4.4Å; E31-K35 VanDerWaalsContact CG-NZ 3.34Å; E31-K35 WeakPolarHBondContact O-CB 3.44Å; E31-K35 VanDerWaalsContact O-CG 3.29Å; E31-K35 WeakPolarHBondContact O-CG 3.4Å; E31-K35 PolarHBondContact O-N 3.4Å; E31-K35 VanDerWaalsContact O-N 3.1Å; E31-K35 VanDerWaalsContact OE1-CE 3.22Å; E31-K35 WeakPolarHBondContact OE1-CE 3.47Å; E31-K35 IonicContact OE1-NZ 3.21Å; E31-K35 PolarHBondContact OE1-NZ 3.21Å; E31-K35 IonicContact OE2-NZ 2.71Å; E31-K35 PolarHBondContact OE2-NZ 3.01Å; F33-K35 VanDerWaalsContact C-N 3.31Å; F33-K35 PolarHBondContact O-N 3.06Å; K35-I38 PolarHBondContact O-N 3.44Å; K35-Q39 PolarHBondContact O-N 2.91Å; K35-Q39 VanDerWaalsContact O-N 3.11Å
36L91.9Very high90.2Very high28 Ų2860.9 Ų60.915%0.14729%0.293CS..Hα-helixtrans-66.9-36.5176.8-172.659.7000112D8 L10 G32 F33 I38 Q39 E40D8-L36 WeakPolarHBondContact O-CD2 3.35Å; L10-L36 HydrophobicContact CD2-CB 3.83Å; L10-L36 HydrophobicContact CD2-CD2 3.83Å; L10-L36 HydrophobicContact CD2-CG 3.77Å; L10-L36 HydrophobicContact CG-CD2 3.86Å; L10-L36 HydrophobicContact CG-CG 4.04Å; G32-L36 PolarHBondContact O-N 3.01Å; F33-L36 PolarHBondContact O-N 2.76Å; F33-L36 VanDerWaalsContact O-N 3.13Å; L36-I38 VanDerWaalsContact C-N 3.27Å; L36-I38 PolarHBondContact O-N 3.29Å; L36-Q39 PolarHBondContact O-N 3.41Å; L36-Q39 VanDerWaalsContact O-N 3.16Å; L36-E40 HydrophobicContact CD1-CG 4.11Å; L36-E40 HydrophobicContact CG-CG 4.43Å; L36-E40 PolarHBondContact O-N 3.31Å
37V92.4Very high90.5Very high1 Ų156.1 Ų56.11%0.00628%0.275CS..Hα-helixtrans-61.2-33173.4175.90000113L10 F33 Y34 P44 A47 C77 F81L10-V37 HydrophobicContact CD1-CG2 4.49Å; L10-V37 HydrophobicContact CD2-CG2 3.47Å; L10-V37 VanDerWaalsContact CD2-CG2 3.47Å; F33-V37 HydrophobicContact CD1-CG2 4.21Å; F33-V37 HydrophobicContact CE1-CG2 3.97Å; F33-V37 HydrophobicContact CZ-CG2 4.18Å; F33-V37 WeakPolarHBondContact O-CG2 3.35Å; F33-V37 PolarHBondContact O-N 2.68Å; Y34-V37 PolarHBondContact O-N 3.28Å; V37-P44 HydrophobicContact CG1-CG 4.2Å; V37-A47 HydrophobicContact CG1-CB 4.18Å; V37-A47 HydrophobicContact CG2-CB 3.49Å; V37-A47 VanDerWaalsContact CG2-CB 3.49Å; V37-C77 HydrophobicContact CG1-CB 4.42Å; V37-F81 HydrophobicContact CG1-CD2 3.8Å; V37-F81 HydrophobicContact CG1-CE2 4.1Å
38I90.4Very high90.9Very high87 Ų8749.3 Ų49.345%0.44625%0.25SC..Hα-helixtrans-75.5-36.5175.7-66.7161.9000111.1Y34 K35 L36 C77Y34-I38 HydrophobicContact CD2-CD1 4.26Å; Y34-I38 WeakPolarHBondContact O-CD1 3.37Å; Y34-I38 WeakPolarHBondContact O-CG1 3.39Å; Y34-I38 PolarHBondContact O-N 2.93Å; Y34-I38 VanDerWaalsContact O-N 3.14Å; K35-I38 PolarHBondContact O-N 3.44Å; L36-I38 VanDerWaalsContact C-N 3.27Å; L36-I38 PolarHBondContact O-N 3.29Å; I38-C77 HydrophobicContact CG1-CB 4.16Å
39Q89.9Confident91.2Very high161 Ų16152.5 Ų52.575%0.75226%0.256SS*.Hα-helixtrans-75.6-35.6-176.6-174.8173.9-5.800113.4K35 L36K35-Q39 PolarHBondContact O-N 2.91Å; K35-Q39 VanDerWaalsContact O-N 3.11Å; L36-Q39 PolarHBondContact O-N 3.41Å; L36-Q39 VanDerWaalsContact O-N 3.16Å
40E89.6Confident91.4Very high63 Ų6353.7 Ų53.729%0.29426%0.262SS..SBendtrans-79.9144.2-179.2-71.4-177-177.300113.2L10 L36 R80L10-E40 VanDerWaalsContact CD1-OE2 3.25Å; L10-E40 WeakPolarHBondContact CD1-OE2 3.4Å; L36-E40 HydrophobicContact CD1-CG 4.11Å; L36-E40 HydrophobicContact CG-CG 4.43Å; L36-E40 PolarHBondContact O-N 3.31Å; E40-R80 PolarHBondContact O-NH1 3.25Å
41T85.1Confident91.6Very high107 Ų10753.6 Ų53.666%0.65626%0.261SS*.SBendtrans-64.5-48.6175.347.10000111.3R80T41-R80 PolarHBondContact O-NH2 3.41Å
42D88.4Confident91.9Very high95 Ų9550.1 Ų50.151%0.50825%0.247SC..SBendtrans-96.61.5-178.9-55.2-51.2000112.9Q45 I46D42-Q45 PolarHBondContact O-N 3.2Å; D42-I46 HydrophobicContact CB-CD1 4.1Å; D42-I46 PolarHBondContact O-N 2.96Å; D42-I46 VanDerWaalsContact O-N 3.1Å
43G90.2Very high92.1Very high0 Ų056.2 Ų56.20%027%0.271CS..Hα-helixtrans-44.8-48.9-177.700000114.4Q45 I46 A47G43-Q45 VanDerWaalsContact C-N 3.34Å; G43-Q45 PolarHBondContact O-N 2.86Å; G43-I46 PolarHBondContact O-N 3.49Å; G43-A47 WeakPolarHBondContact O-CB 3.29Å; G43-A47 PolarHBondContact O-N 3.5Å
44P92.7Very high92.1Very high7 Ų757.2 Ų57.25%0.04528%0.275CS..Hα-helixtrans-58.5-39.4177.7-28.837.6000114.5V37 L48 R80 F81 E84V37-P44 HydrophobicContact CG1-CG 4.2Å; P44-L48 WeakPolarHBondContact O-CB 3.45Å; P44-L48 WeakPolarHBondContact O-CD1 3.5Å; P44-L48 WeakPolarHBondContact O-CG 3.5Å; P44-L48 PolarHBondContact O-N 3.48Å; P44-R80 HydrophobicContact CG-CB 4.48Å; P44-F81 HydrophobicContact CB-CD2 4.02Å; P44-E84 HydrophobicContact CB-CG 4.24Å
45Q92.9Very high92.1Very high104 Ų10455.7 Ų55.749%0.48627%0.269SS..Hα-helixtrans-74.4-38.9-179.8-66.8-175.29.300111.8D42 G43 R49 E84D42-Q45 PolarHBondContact O-N 3.2Å; G43-Q45 VanDerWaalsContact C-N 3.34Å; G43-Q45 PolarHBondContact O-N 2.86Å; Q45-R49 WeakPolarHBondContact O-CB 3.33Å; Q45-R49 PolarHBondContact O-N 3.21Å; Q45-E84 VanDerWaalsContact CG-CD 3.45Å; Q45-E84 HydrophobicContact CG-CG 3.97Å; Q45-E84 PolarHBondContact NE2-OE1 3.33Å
46I92.3Very high92.2Very high51 Ų5152.9 Ų52.926%0.26226%0.258SS..Hα-helixtrans-66-49.5175.6-62.8169.6000109.6L10 D42 G43 L48 R49 L50L10-I46 HydrophobicContact CD1-CB 4.07Å; L10-I46 HydrophobicContact CD1-CG2 3.83Å; D42-I46 HydrophobicContact CB-CD1 4.1Å; D42-I46 PolarHBondContact O-N 2.96Å; D42-I46 VanDerWaalsContact O-N 3.1Å; G43-I46 PolarHBondContact O-N 3.49Å; I46-L48 PolarHBondContact O-N 2.69Å; I46-R49 WeakPolarHBondContact O-CB 3.16Å; I46-R49 PolarHBondContact O-N 3.03Å; I46-L50 HydrophobicContact CG2-CD1 3.84Å; I46-L50 HydrophobicContact CG2-CG 4.45Å; I46-L50 VanDerWaalsContact O-CG 3.3Å; I46-L50 WeakPolarHBondContact O-CG 3.5Å; I46-L50 PolarHBondContact O-N 3.13Å
47A94.1Very high92.2Very high0 Ų052.3 Ų52.30%026%0.256CS..Hα-helixtrans-59.7-47.6179.900000112.9F33 V37 G43 R49 L50 L51 F81F33-A47 HydrophobicContact CE1-CB 4.08Å; F33-A47 HydrophobicContact CZ-CB 3.63Å; V37-A47 HydrophobicContact CG1-CB 4.18Å; V37-A47 HydrophobicContact CG2-CB 3.49Å; V37-A47 VanDerWaalsContact CG2-CB 3.49Å; G43-A47 WeakPolarHBondContact O-CB 3.29Å; G43-A47 PolarHBondContact O-N 3.5Å; A47-R49 VanDerWaalsContact C-N 3.31Å; A47-R49 PolarHBondContact O-N 3.36Å; A47-L50 PolarHBondContact O-N 3.42Å; A47-L51 WeakPolarHBondContact O-CB 3.3Å; A47-L51 VanDerWaalsContact O-CG 3.29Å; A47-L51 WeakPolarHBondContact O-CG 3.38Å; A47-L51 PolarHBondContact O-N 2.79Å; A47-F81 HydrophobicContact CB-CE2 4.23Å
48L94.9Very high91.9Very high9 Ų957.9 Ų57.95%0.04729%0.292CS..Hα-helixtrans-65.7-33.1177.9-74.4165.4000112.4P44 I46 A52 L70 F81 E84 A85 F90P44-L48 WeakPolarHBondContact O-CB 3.45Å; P44-L48 WeakPolarHBondContact O-CD1 3.5Å; P44-L48 WeakPolarHBondContact O-CG 3.5Å; P44-L48 PolarHBondContact O-N 3.48Å; I46-L48 PolarHBondContact O-N 2.69Å; L48-A52 VanDerWaalsContact O-CB 3.27Å; L48-A52 WeakPolarHBondContact O-CB 3.22Å; L48-A52 PolarHBondContact O-N 2.93Å; L48-L70 HydrophobicContact CD2-CD1 3.89Å; L48-F81 HydrophobicContact CD1-CD2 4.45Å; L48-F81 HydrophobicContact CD1-CE2 4.23Å; L48-F81 HydrophobicContact CD1-CZ 4.4Å; L48-F81 HydrophobicContact CD2-CE1 3.98Å; L48-F81 HydrophobicContact CD2-CE2 4.02Å; L48-F81 HydrophobicContact CD2-CZ 3.49Å; L48-F81 VanDerWaalsContact CD2-CZ 3.49Å; L48-F81 HydrophobicContact CG-CD2 4.42Å; L48-F81 HydrophobicContact CG-CE1 4.49Å; L48-F81 HydrophobicContact CG-CE2 3.74Å; L48-F81 HydrophobicContact CG-CZ 3.77Å; L48-E84 HydrophobicContact CD1-CB 3.42Å; L48-E84 VanDerWaalsContact CD1-CB 3.42Å; L48-A85 HydrophobicContact CD1-CB 4.05Å; L48-A85 VanDerWaalsContact CD1-N 3.35Å; L48-A85 HydrophobicContact CD2-CB 4.02Å; L48-F90 HydrophobicContact CB-CD2 3.81Å; L48-F90 HydrophobicContact CB-CE2 4.14Å; L48-F90 HydrophobicContact CB-CG 4.48Å; L48-F90 HydrophobicContact CD2-CD1 4.2Å; L48-F90 HydrophobicContact CD2-CD2 3.8Å; L48-F90 HydrophobicContact CD2-CE1 4.06Å; L48-F90 HydrophobicContact CD2-CE2 3.62Å; L48-F90 HydrophobicContact CD2-CG 4.08Å; L48-F90 HydrophobicContact CD2-CZ 3.76Å; L48-F90 HydrophobicContact CG-CD2 4.36Å; L48-F90 WeakPolarHBondContact O-CD2 3.29Å; L48-F90 WeakPolarHBondContact O-CE2 3.47Å
49R94.4Very high91.9Very high148 Ų14858.2 Ų58.256%0.55829%0.292SS*.Hα-helixtrans-64-43.3172.4-176.7-174.872.4-174.84.1111.8Q45 I46 A47 H53Q45-R49 WeakPolarHBondContact O-CB 3.33Å; Q45-R49 PolarHBondContact O-N 3.21Å; I46-R49 WeakPolarHBondContact O-CB 3.16Å; I46-R49 PolarHBondContact O-N 3.03Å; A47-R49 VanDerWaalsContact C-N 3.31Å; A47-R49 PolarHBondContact O-N 3.36Å; R49-H53 PolarHBondContact O-N 3.23Å
50L94.6Very high92Very high29 Ų2954.5 Ų54.515%0.15228%0.275CS..Hα-helixtrans-71.9-42.9179.6-65.4169.9000111.9L10 E11 L14 I46 A47 H53 K54L10-L50 HydrophobicContact CB-CD1 4.15Å; E11-L50 HydrophobicContact CG-CD1 3.5Å; E11-L50 HydrophobicContact CG-CD2 3.75Å; E11-L50 HydrophobicContact CG-CG 4.27Å; L14-L50 HydrophobicContact CD2-CB 3.56Å; I46-L50 HydrophobicContact CG2-CD1 3.84Å; I46-L50 HydrophobicContact CG2-CG 4.45Å; I46-L50 VanDerWaalsContact O-CG 3.3Å; I46-L50 WeakPolarHBondContact O-CG 3.5Å; I46-L50 PolarHBondContact O-N 3.13Å; A47-L50 PolarHBondContact O-N 3.42Å; L50-H53 PolarHBondContact O-N 3.23Å; L50-K54 PolarHBondContact O-N 3.23Å; L50-K54 VanDerWaalsContact O-N 3.08Å
51L95.4Very high92Very high0 Ų056.2 Ų56.20%028%0.281CS..Hα-helixtrans-60.8-43.2174.3-75167.4000111.6L14 F33 A47 H53 K54 V55 A66 V69 L70 F81L14-L51 HydrophobicContact CD1-CD2 3.68Å; L14-L51 HydrophobicContact CD1-CG 4.48Å; L14-L51 HydrophobicContact CD2-CD2 4.44Å; F33-L51 HydrophobicContact CE1-CD1 4.09Å; F33-L51 HydrophobicContact CE1-CG 4.36Å; F33-L51 HydrophobicContact CZ-CD1 4.41Å; F33-L51 HydrophobicContact CZ-CG 4.33Å; A47-L51 WeakPolarHBondContact O-CB 3.3Å; A47-L51 VanDerWaalsContact O-CG 3.29Å; A47-L51 WeakPolarHBondContact O-CG 3.38Å; A47-L51 PolarHBondContact O-N 2.79Å; L51-H53 VanDerWaalsContact C-N 3.28Å; L51-H53 PolarHBondContact O-N 3.4Å; L51-K54 PolarHBondContact O-N 3.38Å; L51-K54 VanDerWaalsContact O-N 3.14Å; L51-V55 WeakPolarHBondContact O-CB 3.44Å; L51-V55 VanDerWaalsContact O-CG2 3.26Å; L51-V55 WeakPolarHBondContact O-CG2 3.46Å; L51-V55 PolarHBondContact O-N 3.4Å; L51-A66 WeakPolarHBondContact CD2-O 3.36Å; L51-V69 HydrophobicContact CD2-CB 3.91Å; L51-V69 HydrophobicContact CD2-CG1 3.78Å; L51-L70 HydrophobicContact CD1-CB 4.34Å; L51-L70 HydrophobicContact CD1-CD1 4.01Å; L51-F81 HydrophobicContact CD1-CZ 4.18Å
52A94.2Very high92.4Very high10 Ų1052.2 Ų52.28%0.08326%0.255CS..Hα-helixtrans-56.1-42.4176.500000112.5L48 Q56 F90 E93L48-A52 VanDerWaalsContact O-CB 3.27Å; L48-A52 WeakPolarHBondContact O-CB 3.22Å; L48-A52 PolarHBondContact O-N 2.93Å; A52-Q56 WeakPolarHBondContact O-CB 3.48Å; A52-Q56 VanDerWaalsContact O-CG 3.27Å; A52-Q56 WeakPolarHBondContact O-CG 3.42Å; A52-Q56 PolarHBondContact O-N 3.02Å; A52-F90 HydrophobicContact CB-CD2 4.18Å; A52-F90 HydrophobicContact CB-CE2 3.97Å; A52-E93 HydrophobicContact CB-CB 3.88Å; A52-E93 HydrophobicContact CB-CG 4.04Å
53H93.8Very high92.6Very high143 Ų14347.7 Ų47.766%0.66223%0.231SC*.Hα-helixtrans-66.1-43.3176-176.6-86.6000112.2R49 L50 L51 Q56 S57R49-H53 PolarHBondContact O-N 3.23Å; L50-H53 PolarHBondContact O-N 3.23Å; L51-H53 VanDerWaalsContact C-N 3.28Å; L51-H53 PolarHBondContact O-N 3.4Å; H53-Q56 PolarHBondContact O-N 3.39Å; H53-S57 PolarHBondContact O-N 2.8Å
54K92.9Very high92.7Very high21 Ų2149.3 Ų49.39%0.09124%0.239CC..Hα-helixtrans-69.4-41.2-179.8-74.3-73.1-170.1158.90113.3L14 N15 T18 L50 L51 Q56 S57 E62 A66L14-K54 HydrophobicContact CD2-CG 3.82Å; L14-K54 HydrophobicContact CG-CG 4.2Å; N15-K54 WeakPolarHBondContact OD1-CE 3.47Å; N15-K54 PolarHBondContact OD1-NZ 2.94Å; T18-K54 WeakPolarHBondContact OG1-CD 3.47Å; T18-K54 VanDerWaalsContact OG1-CE 3.26Å; T18-K54 WeakPolarHBondContact OG1-CE 3.16Å; T18-K54 PolarHBondContact OG1-NZ 2.88Å; L50-K54 PolarHBondContact O-N 3.23Å; L50-K54 VanDerWaalsContact O-N 3.08Å; L51-K54 PolarHBondContact O-N 3.38Å; L51-K54 VanDerWaalsContact O-N 3.14Å; K54-Q56 PolarHBondContact O-N 3.17Å; K54-S57 WeakPolarHBondContact O-CB 3.38Å; K54-S57 PolarHBondContact O-N 3.18Å; K54-E62 HydrophobicContact CD-CG 3.91Å; K54-E62 WeakPolarHBondContact CD-OE1 3.22Å; K54-E62 WeakPolarHBondContact CE-OE1 3.13Å; K54-E62 IonicContact NZ-OE1 2.61Å; K54-E62 PolarHBondContact NZ-OE1 2.84Å; K54-A66 HydrophobicContact CB-CB 3.59Å
55V93.4Very high92.7Very high2 Ų249.6 Ų49.61%0.01224%0.24CC..Hα-helixtrans-67.5-24.1175.61790000111.5L51 S57 A66 L67 L94 I97 V115L51-V55 WeakPolarHBondContact O-CB 3.44Å; L51-V55 VanDerWaalsContact O-CG2 3.26Å; L51-V55 WeakPolarHBondContact O-CG2 3.46Å; L51-V55 PolarHBondContact O-N 3.4Å; V55-S57 VanDerWaalsContact C-N 3.32Å; V55-A66 HydrophobicContact CB-CB 4.46Å; V55-A66 HydrophobicContact CG2-CB 3.51Å; V55-L67 HydrophobicContact CG1-CD1 4.31Å; V55-L67 HydrophobicContact CG1-CD2 3.67Å; V55-L67 HydrophobicContact CG1-CG 3.86Å; V55-L67 HydrophobicContact CG2-CD2 4.14Å; V55-L67 HydrophobicContact CG2-CG 4.12Å; V55-L94 HydrophobicContact CG1-CD2 3.93Å; V55-I97 HydrophobicContact CB-CD1 4.43Å; V55-I97 HydrophobicContact CG1-CD1 3.65Å; V55-I97 WeakPolarHBondContact O-CD1 3.13Å; V55-V115 HydrophobicContact CG1-CG2 4.31Å
56Q92.2Very high92.7Very high44 Ų4444.6 Ų44.621%0.20622%0.217CC..THydrogen-bonded Turntrans-822.1170.3-74.2177.83.300114.5A52 H53 K54 E93 I97 F103A52-Q56 WeakPolarHBondContact O-CB 3.48Å; A52-Q56 VanDerWaalsContact O-CG 3.27Å; A52-Q56 WeakPolarHBondContact O-CG 3.42Å; A52-Q56 PolarHBondContact O-N 3.02Å; H53-Q56 PolarHBondContact O-N 3.39Å; K54-Q56 PolarHBondContact O-N 3.17Å; Q56-E93 PolarHBondContact NE2-O 3.48Å; Q56-E93 PolarHBondContact NE2-OE2 2.67Å; Q56-I97 HydrophobicContact CG-CD1 3.77Å; Q56-I97 HydrophobicContact CG-CG1 3.8Å; Q56-F103 HydrophobicContact CG-CD2 4.26Å; Q56-F103 HydrophobicContact CG-CE2 4.23Å
57S91.5Very high92.8Very high16 Ų1642.2 Ų42.211%0.11221%0.205CC..  trans-59.6139.7-179.6-178.50000112.1H53 K54 V55 Q59 E62H53-S57 PolarHBondContact O-N 2.8Å; K54-S57 WeakPolarHBondContact O-CB 3.38Å; K54-S57 PolarHBondContact O-N 3.18Å; V55-S57 VanDerWaalsContact C-N 3.32Å; S57-Q59 PolarHBondContact O-N 2.88Å; S57-Q59 PolarHBondContact OG-N 2.82Å; S57-Q59 VanDerWaalsContact OG-N 3.1Å; S57-E62 VanDerWaalsContact CB-OE2 3.31Å; S57-E62 WeakPolarHBondContact CB-OE2 3.24Å; S57-E62 PolarHBondContact OG-OE2 3.47Å
58P87.2Confident92.6Very high118 Ų11843.4 Ų43.477%0.76621%0.212SC*.SBendtrans-67.3-12.1169.630.1-36.2000112.9
59Q90.2Very high92.6Very high95 Ų9543 Ų4344%0.44421%0.209SC..SBendtrans-86.1114.1177.8-57.8-171.592.800110.6S57 K61 E62 A63S57-Q59 PolarHBondContact O-N 2.88Å; S57-Q59 PolarHBondContact OG-N 2.82Å; S57-Q59 VanDerWaalsContact OG-N 3.1Å; Q59-K61 VanDerWaalsContact C-N 3.28Å; Q59-K61 PolarHBondContact O-N 3.22Å; Q59-E62 HydrophobicContact CB-CB 4.01Å; Q59-E62 PolarHBondContact NE2-OE2 3.31Å; Q59-E62 PolarHBondContact O-N 3.37Å; Q59-A63 PolarHBondContact O-N 3.27Å; Q59-A63 VanDerWaalsContact O-N 3.08Å
60E91.7Very high92.5Very high82 Ų8235.9 Ų35.938%0.38318%0.183SC..Hα-helixtrans-52.6-43.7-176.3-168.4-177.1131.100113L64 P108 K110 V111E60-L64 HydrophobicContact CG-CD1 3.96Å; E60-L64 HydrophobicContact CG-CG 4.49Å; E60-L64 WeakPolarHBondContact O-CB 3.39Å; E60-L64 VanDerWaalsContact O-CG 3.25Å; E60-L64 WeakPolarHBondContact O-CG 3.33Å; E60-L64 PolarHBondContact O-N 3.45Å; E60-P108 HydrophobicContact CB-CB 4.45Å; E60-P108 HydrophobicContact CB-CG 3.97Å; E60-P108 HydrophobicContact CG-CB 4.04Å; E60-P108 HydrophobicContact CG-CG 4.09Å; E60-K110 WeakPolarHBondContact OE1-CD 3.36Å; E60-K110 IonicContact OE1-NZ 2.79Å; E60-V111 HydrophobicContact CG-CG2 3.97Å
61K89.8Confident92.3Very high99 Ų9936 Ų3643%0.4318%0.183SC..Hα-helixtrans-62.2-51.1178.4-81.8-170.3166.5-160.80113.1P20 N22 Q59 A63 L64 Q65P20-K61 WeakPolarHBondContact O-CD 3.42Å; P20-K61 PolarHBondContact O-NZ 3.11Å; N22-K61 PolarHBondContact O-NZ 3.22Å; Q59-K61 VanDerWaalsContact C-N 3.28Å; Q59-K61 PolarHBondContact O-N 3.22Å; K61-A63 VanDerWaalsContact C-N 3.3Å; K61-A63 PolarHBondContact O-N 3.08Å; K61-L64 PolarHBondContact O-N 3.04Å; K61-Q65 WeakPolarHBondContact O-CB 3.39Å; K61-Q65 WeakPolarHBondContact O-CG 3.4Å; K61-Q65 PolarHBondContact O-N 2.91Å
62E93.4Very high92Very high24 Ų2436.3 Ų36.311%0.11219%0.185CC..Hα-helixtrans-60.4-42.3-178.4179.8171.7-152.400110.8P20 K54 S57 Q59 A66P20-E62 HydrophobicContact CG-CB 4.32Å; K54-E62 HydrophobicContact CD-CG 3.91Å; K54-E62 WeakPolarHBondContact CD-OE1 3.22Å; K54-E62 WeakPolarHBondContact CE-OE1 3.13Å; K54-E62 IonicContact NZ-OE1 2.61Å; K54-E62 PolarHBondContact NZ-OE1 2.84Å; S57-E62 VanDerWaalsContact CB-OE2 3.31Å; S57-E62 WeakPolarHBondContact CB-OE2 3.24Å; S57-E62 PolarHBondContact OG-OE2 3.47Å; Q59-E62 HydrophobicContact CB-CB 4.01Å; Q59-E62 PolarHBondContact NE2-OE2 3.31Å; Q59-E62 PolarHBondContact O-N 3.37Å; E62-A66 WeakPolarHBondContact O-CB 3.47Å; E62-A66 PolarHBondContact O-N 2.88Å
63A93.2Very high91.8Very high0 Ų035.8 Ų35.80%018%0.181CC..Hα-helixtrans-66.4-41.7176.900000112.7Q59 K61 L67 V111Q59-A63 PolarHBondContact O-N 3.27Å; Q59-A63 VanDerWaalsContact O-N 3.08Å; K61-A63 VanDerWaalsContact C-N 3.3Å; K61-A63 PolarHBondContact O-N 3.08Å; A63-L67 WeakPolarHBondContact O-CG 3.49Å; A63-L67 PolarHBondContact O-N 3.02Å; A63-L67 VanDerWaalsContact O-N 3.08Å; A63-V111 HydrophobicContact CB-CG1 4.01Å; A63-V111 HydrophobicContact CB-CG2 4.05Å
64L91.4Very high91.6Very high33 Ų3329 Ų2917%0.17315%0.149CC..Hα-helixtrans-67-43.7175.8-71.8173000112.1E60 K61 A66 L67 T68 K110 V111 R114E60-L64 HydrophobicContact CG-CD1 3.96Å; E60-L64 HydrophobicContact CG-CG 4.49Å; E60-L64 WeakPolarHBondContact O-CB 3.39Å; E60-L64 VanDerWaalsContact O-CG 3.25Å; E60-L64 WeakPolarHBondContact O-CG 3.33Å; E60-L64 PolarHBondContact O-N 3.45Å; K61-L64 PolarHBondContact O-N 3.04Å; L64-A66 VanDerWaalsContact C-N 3.33Å; L64-A66 PolarHBondContact O-N 3.29Å; L64-L67 WeakPolarHBondContact O-CA 3.41Å; L64-L67 WeakPolarHBondContact O-CB 3.26Å; L64-L67 PolarHBondContact O-N 3.01Å; L64-L67 VanDerWaalsContact O-N 3.11Å; L64-T68 PolarHBondContact O-N 3.38Å; L64-T68 PolarHBondContact O-OG1 3.06Å; L64-K110 HydrophobicContact CD1-CD 4Å; L64-K110 HydrophobicContact CD1-CG 4.5Å; L64-V111 HydrophobicContact CD2-CG2 4.3Å; L64-V111 HydrophobicContact CG-CG2 4.2Å; L64-R114 HydrophobicContact CD2-CB 4.16Å; L64-R114 HydrophobicContact CD2-CG 4.41Å
65Q92.4Very high91.3Very high13 Ų1331.3 Ų31.36%0.06116%0.162CC..Hα-helixtrans-63.5-39176.1-76168.5-2600111.8T18 D19 D25 K61 L67 T68 V69T18-Q65 HydrophobicContact CG2-CB 4.32Å; D19-Q65 PolarHBondContact O-OE1 2.9Å; D25-Q65 WeakPolarHBondContact OD1-CG 3.46Å; K61-Q65 WeakPolarHBondContact O-CB 3.39Å; K61-Q65 WeakPolarHBondContact O-CG 3.4Å; K61-Q65 PolarHBondContact O-N 2.91Å; Q65-L67 VanDerWaalsContact C-N 3.27Å; Q65-L67 PolarHBondContact O-N 3.37Å; Q65-T68 WeakPolarHBondContact O-CB 3.33Å; Q65-T68 PolarHBondContact O-N 2.9Å; Q65-V69 VanDerWaalsContact O-CG2 3.28Å; Q65-V69 WeakPolarHBondContact O-CG2 3.3Å; Q65-V69 PolarHBondContact O-N 3.25Å
66A94.8Very high91Very high0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-66-29.5174.300000112.7T18 L51 K54 V55 E62 L64 L70T18-A66 HydrophobicContact CG2-CB 3.94Å; L51-A66 WeakPolarHBondContact CD2-O 3.36Å; K54-A66 HydrophobicContact CB-CB 3.59Å; V55-A66 HydrophobicContact CB-CB 4.46Å; V55-A66 HydrophobicContact CG2-CB 3.51Å; E62-A66 WeakPolarHBondContact O-CB 3.47Å; E62-A66 PolarHBondContact O-N 2.88Å; L64-A66 VanDerWaalsContact C-N 3.33Å; L64-A66 PolarHBondContact O-N 3.29Å; A66-L70 WeakPolarHBondContact O-CB 3.27Å; A66-L70 PolarHBondContact O-N 3.23Å
67L92.4Very high90.7Very high1 Ų133.5 Ų33.51%0.00518%0.177CC..Hα-helixtrans-70-42.1169.4-71.1163.1000111.6V55 A63 L64 Q65 V69 L70 E71 V111 R114 V115V55-L67 HydrophobicContact CG1-CD1 4.31Å; V55-L67 HydrophobicContact CG1-CD2 3.67Å; V55-L67 HydrophobicContact CG1-CG 3.86Å; V55-L67 HydrophobicContact CG2-CD2 4.14Å; V55-L67 HydrophobicContact CG2-CG 4.12Å; A63-L67 WeakPolarHBondContact O-CG 3.49Å; A63-L67 PolarHBondContact O-N 3.02Å; A63-L67 VanDerWaalsContact O-N 3.08Å; L64-L67 WeakPolarHBondContact O-CA 3.41Å; L64-L67 WeakPolarHBondContact O-CB 3.26Å; L64-L67 PolarHBondContact O-N 3.01Å; L64-L67 VanDerWaalsContact O-N 3.11Å; Q65-L67 VanDerWaalsContact C-N 3.27Å; Q65-L67 PolarHBondContact O-N 3.37Å; L67-V69 VanDerWaalsContact C-N 3.33Å; L67-V69 PolarHBondContact O-N 3.34Å; L67-L70 HydrophobicContact CD2-CD2 4.23Å; L67-L70 WeakPolarHBondContact O-CB 3.18Å; L67-L70 PolarHBondContact O-N 3.45Å; L67-L70 VanDerWaalsContact O-N 3.15Å; L67-E71 WeakPolarHBondContact O-CG 3.33Å; L67-E71 PolarHBondContact O-N 3.05Å; L67-V111 HydrophobicContact CD1-CG1 4.37Å; L67-R114 HydrophobicContact CB-CG 4.44Å; L67-R114 HydrophobicContact CD1-CB 4.12Å; L67-R114 HydrophobicContact CD1-CG 3.92Å; L67-V115 HydrophobicContact CD1-CG2 3.84Å; L67-V115 HydrophobicContact CD2-CG2 3.98Å
68T91.4Very high90.4Very high24 Ų2434.1 Ų34.115%0.14719%0.186CC..Hα-helixtrans-59.1-42172.5-50.90000111.9W27 I30 L64 Q65 E71 A72W27-T68 HydrophobicContact CH2-CG2 3.86Å; W27-T68 HydrophobicContact CZ2-CG2 3.93Å; I30-T68 HydrophobicContact CD1-CG2 4.26Å; L64-T68 PolarHBondContact O-N 3.38Å; L64-T68 PolarHBondContact O-OG1 3.06Å; Q65-T68 WeakPolarHBondContact O-CB 3.33Å; Q65-T68 PolarHBondContact O-N 2.9Å; T68-E71 PolarHBondContact O-N 3.23Å; T68-A72 WeakPolarHBondContact O-CB 3.27Å; T68-A72 PolarHBondContact O-N 3.19Å
69V93.7Very high90.3Very high0 Ų037.6 Ų37.60%018%0.183CC..Hα-helixtrans-63-43.9174-179.30000110.9L14 A17 T18 I30 F33 L51 Q65 L67 A72 C73L14-V69 HydrophobicContact CD1-CB 4.35Å; L14-V69 HydrophobicContact CD1-CG1 3.93Å; L14-V69 HydrophobicContact CD1-CG2 4.2Å; A17-V69 HydrophobicContact CB-CG2 4.02Å; T18-V69 HydrophobicContact CG2-CG2 4.27Å; I30-V69 HydrophobicContact CG1-CG2 3.95Å; F33-V69 HydrophobicContact CD1-CG1 3.45Å; F33-V69 VanDerWaalsContact CD1-CG1 3.45Å; F33-V69 HydrophobicContact CE1-CG1 3.68Å; F33-V69 HydrophobicContact CG-CG1 4.26Å; L51-V69 HydrophobicContact CD2-CB 3.91Å; L51-V69 HydrophobicContact CD2-CG1 3.78Å; Q65-V69 VanDerWaalsContact O-CG2 3.28Å; Q65-V69 WeakPolarHBondContact O-CG2 3.3Å; Q65-V69 PolarHBondContact O-N 3.25Å; L67-V69 VanDerWaalsContact C-N 3.33Å; L67-V69 PolarHBondContact O-N 3.34Å; V69-A72 PolarHBondContact O-N 3.01Å; V69-C73 PolarHBondContact O-N 2.93Å; V69-C73 PolarHBondContact O-SG 3.5Å; V69-C73 VanDerWaalsContact O-SG 3.37Å
70L93.8Very high90.2Very high0 Ų039.9 Ų39.90%019%0.188CC..Hα-helixtrans-61.4-44.1178176.965.1000111.8L48 L51 A66 L67 C73 M74 F81 F90 W122L48-L70 HydrophobicContact CD2-CD1 3.89Å; L51-L70 HydrophobicContact CD1-CB 4.34Å; L51-L70 HydrophobicContact CD1-CD1 4.01Å; A66-L70 WeakPolarHBondContact O-CB 3.27Å; A66-L70 PolarHBondContact O-N 3.23Å; L67-L70 HydrophobicContact CD2-CD2 4.23Å; L67-L70 WeakPolarHBondContact O-CB 3.18Å; L67-L70 PolarHBondContact O-N 3.45Å; L67-L70 VanDerWaalsContact O-N 3.15Å; L70-C73 PolarHBondContact O-N 3.2Å; L70-M74 WeakPolarHBondContact O-CG 3.17Å; L70-M74 PolarHBondContact O-N 3.49Å; L70-F81 HydrophobicContact CD1-CE1 4.13Å; L70-F81 HydrophobicContact CD1-CZ 4.15Å; L70-F90 HydrophobicContact CD1-CE1 4.34Å; L70-F90 HydrophobicContact CD1-CZ 3.92Å; L70-F90 HydrophobicContact CD2-CE1 4.29Å; L70-F90 HydrophobicContact CD2-CZ 3.94Å; L70-W122 HydrophobicContact CD1-CH2 4.18Å; L70-W122 HydrophobicContact CD1-CZ2 4.28Å; L70-W122 HydrophobicContact CD2-CH2 3.95Å; L70-W122 HydrophobicContact CD2-CZ2 3.99Å; L70-W122 HydrophobicContact CG-CH2 4.24Å; L70-W122 HydrophobicContact CG-CZ2 4.01Å
71E89.1Confident90.2Very high32 Ų3236 Ų3615%0.1517%0.17CC..Hα-helixtrans-60.6-45.7174.6-71.5170-147.700111.3L67 T68 C73 M74 N75 R114 V118L67-E71 WeakPolarHBondContact O-CG 3.33Å; L67-E71 PolarHBondContact O-N 3.05Å; T68-E71 PolarHBondContact O-N 3.23Å; E71-C73 PolarHBondContact O-N 3.1Å; E71-M74 PolarHBondContact O-N 3.31Å; E71-N75 PolarHBondContact O-N 2.87Å; E71-R114 VanDerWaalsContact CD-NH2 3.26Å; E71-R114 IonicContact OE1-CZ 3.15Å; E71-R114 VanDerWaalsContact OE1-CZ 3.26Å; E71-R114 IonicContact OE1-NE 3.78Å; E71-R114 PolarHBondContact OE1-NE 3.49Å; E71-R114 IonicContact OE1-NH2 3.31Å; E71-R114 PolarHBondContact OE1-NH2 3.34Å; E71-R114 IonicContact OE2-CZ 2.75Å; E71-R114 IonicContact OE2-NH2 3Å; E71-R114 PolarHBondContact OE2-NH2 3.22Å; E71-V118 HydrophobicContact CG-CG2 4.07Å; E71-V118 VanDerWaalsContact OE1-CG2 3.28Å; E71-V118 WeakPolarHBondContact OE1-CG2 3.43Å
72A88.9Confident90.3Very high5 Ų532 Ų324%0.04115%0.153CC..Hα-helixtrans-61.2-40.6175.500000112.6W27 I30 Y34 T68 V69 N75 N76W27-A72 HydrophobicContact CZ3-CB 4.26Å; I30-A72 HydrophobicContact CG2-CB 3.46Å; I30-A72 VanDerWaalsContact CG2-CB 3.46Å; Y34-A72 HydrophobicContact CD1-CB 4.28Å; T68-A72 WeakPolarHBondContact O-CB 3.27Å; T68-A72 PolarHBondContact O-N 3.19Å; V69-A72 PolarHBondContact O-N 3.01Å; A72-N75 PolarHBondContact O-N 3.18Å; A72-N76 WeakPolarHBondContact O-CB 2.85Å; A72-N76 PolarHBondContact O-N 3.5Å; A72-N76 PolarHBondContact O-ND2 2.92Å
73C90.9Very high90.1Very high0 Ų033.5 Ų33.50%017%0.166CC..Hα-helixtrans-66.9-39.5174.2-71.70000112.8V69 L70 E71 N75 N76 C77 F81V69-C73 PolarHBondContact O-N 2.93Å; V69-C73 PolarHBondContact O-SG 3.5Å; V69-C73 VanDerWaalsContact O-SG 3.37Å; L70-C73 PolarHBondContact O-N 3.2Å; E71-C73 PolarHBondContact O-N 3.1Å; C73-N75 VanDerWaalsContact C-N 3.29Å; C73-N75 PolarHBondContact O-N 3.36Å; C73-N76 PolarHBondContact O-N 3.36Å; C73-C77 WeakPolarHBondContact O-CB 3.41Å; C73-C77 PolarHBondContact O-N 3.48Å; C73-C77 PolarHBondContact O-SG 3.5Å; C73-F81 HydrophobicContact CB-CD1 4.15Å; C73-F81 HydrophobicContact CB-CD2 4.5Å; C73-F81 HydrophobicContact CB-CE1 3.5Å; C73-F81 VanDerWaalsContact CB-CE1 3.5Å; C73-F81 HydrophobicContact CB-CE2 3.91Å; C73-F81 HydrophobicContact CB-CZ 3.36Å
74M89.1Confident90.1Very high0 Ų035.4 Ų35.40%018%0.175CC..Hα-helixtrans-62.1-37.6175.4-71.3-63.8-72.300111.8L70 E71 F81 H82 A85 W122 W125 L126L70-M74 WeakPolarHBondContact O-CG 3.17Å; L70-M74 PolarHBondContact O-N 3.49Å; E71-M74 PolarHBondContact O-N 3.31Å; M74-F81 HydrophobicContact CG-CD1 4.39Å; M74-F81 HydrophobicContact CG-CE1 4.06Å; M74-F81 HydrophobicContact SD-CD1 3.61Å; M74-F81 HydrophobicContact SD-CE1 3.65Å; M74-H82 PolarHBondContact O-NE2 2.75Å; M74-A85 HydrophobicContact SD-CB 3.89Å; M74-W122 HydrophobicContact CE-CD2 4.04Å; M74-W122 HydrophobicContact CE-CG 4.39Å; M74-W122 HydrophobicContact CE-CH2 4.48Å; M74-W122 HydrophobicContact CE-CZ2 4Å; M74-W122 HydrophobicContact CG-CH2 4.43Å; M74-W122 HydrophobicContact CG-CZ2 3.57Å; M74-W122 HydrophobicContact SD-CH2 4.27Å; M74-W122 HydrophobicContact SD-CZ2 3.89Å; M74-W125 HydrophobicContact CE-CZ3 4.41Å; M74-L126 HydrophobicContact CE-CD1 3.77Å
75N86.8Confident90.1Very high69 Ų6933.9 Ų33.937%0.36917%0.167SC..Hα-helixtrans-71.6-41.3176.3-77.2-21.2000113.2E71 A72 C73 I156E71-N75 PolarHBondContact O-N 2.87Å; A72-N75 PolarHBondContact O-N 3.18Å; C73-N75 VanDerWaalsContact C-N 3.29Å; C73-N75 PolarHBondContact O-N 3.36Å; N75-I156 PolarHBondContact ND2-O 2.95Å
76N86.6Confident90Very high77 Ų7733.2 Ų33.241%0.41216%0.164SC..Hα-helixtrans-99.5-29.7-168.5-67.6-79.9000115.3Y34 A72 C73 G78Y34-N76 HydrophobicContact CD1-CB 4.42Å; Y34-N76 HydrophobicContact CD2-CB 3.51Å; Y34-N76 HydrophobicContact CE1-CB 4.45Å; Y34-N76 HydrophobicContact CE2-CB 3.57Å; Y34-N76 HydrophobicContact CG-CB 3.99Å; A72-N76 WeakPolarHBondContact O-CB 2.85Å; A72-N76 PolarHBondContact O-N 3.5Å; A72-N76 PolarHBondContact O-ND2 2.92Å; C73-N76 PolarHBondContact O-N 3.36Å; N76-G78 PolarHBondContact O-N 2.83Å
77C85.9Confident90Very high16 Ų1637.1 Ų37.111%0.10818%0.18CC..SBendtrans-85.4-7.4-170.2-59.80000115.2V37 I38 C73 F81V37-C77 HydrophobicContact CG1-CB 4.42Å; I38-C77 HydrophobicContact CG1-CB 4.16Å; C73-C77 WeakPolarHBondContact O-CB 3.41Å; C73-C77 PolarHBondContact O-N 3.48Å; C73-C77 PolarHBondContact O-SG 3.5Å; C77-F81 HydrophobicContact CB-CB 3.45Å; C77-F81 VanDerWaalsContact CB-CB 3.45Å; C77-F81 HydrophobicContact CB-CD1 4.42Å; C77-F81 HydrophobicContact CB-CD2 4.12Å; C77-F81 HydrophobicContact CB-CG 3.77Å
78G85.9Confident89.9Confident29 Ų2940.9 Ų40.930%0.29920%0.197SC..  trans63.3-168.3175.400000115.7N76 R80 F81 H82N76-G78 PolarHBondContact O-N 2.83Å; G78-R80 PolarHBondContact O-N 2.85Å; G78-F81 WeakPolarHBondContact O-CB 3.36Å; G78-F81 PolarHBondContact O-N 2.97Å; G78-H82 PolarHBondContact O-CD2 2.94Å; G78-H82 PolarHBondContact O-N 3.42Å; G78-H82 PolarHBondContact O-ND1 3.31Å
79R85.1Confident89.9Confident190 Ų19049.8 Ų49.872%0.71723%0.228SC*.Hα-helixtrans-56.4-29.6-167.2-69.4-161.4-68-157.10.9115.4F81 H82 S83R79-F81 PolarHBondContact O-N 2.67Å; R79-H82 WeakPolarHBondContact CA-ND1 3.35Å; R79-H82 PolarHBondContact N-ND1 3.1Å; R79-H82 PolarHBondContact O-N 3.47Å; R79-S83 PolarHBondContact O-N 3.02Å
80R88.3Confident90Very high143 Ų14350.3 Ų50.354%0.5423%0.23SC..Hα-helixtrans-59.8-36.5175.4-64.2-172.872.3-130.2-6.2112.1E40 T41 P44 G78E40-R80 PolarHBondContact O-NH1 3.25Å; T41-R80 PolarHBondContact O-NH2 3.41Å; P44-R80 HydrophobicContact CG-CB 4.48Å; G78-R80 PolarHBondContact O-N 2.85Å
81F92.3Very high89.9Confident0 Ų050.4 Ų50.40%023%0.231CC..Hα-helixtrans-80.8-40.7176.8-168.5-95.8000111.4V37 P44 A47 L48 L51 L70 C73 M74 C77 G78 R79 S83 E84 A85V37-F81 HydrophobicContact CG1-CD2 3.8Å; V37-F81 HydrophobicContact CG1-CE2 4.1Å; P44-F81 HydrophobicContact CB-CD2 4.02Å; A47-F81 HydrophobicContact CB-CE2 4.23Å; L48-F81 HydrophobicContact CD1-CD2 4.45Å; L48-F81 HydrophobicContact CD1-CE2 4.23Å; L48-F81 HydrophobicContact CD1-CZ 4.4Å; L48-F81 HydrophobicContact CD2-CE1 3.98Å; L48-F81 HydrophobicContact CD2-CE2 4.02Å; L48-F81 HydrophobicContact CD2-CZ 3.49Å; L48-F81 VanDerWaalsContact CD2-CZ 3.49Å; L48-F81 HydrophobicContact CG-CD2 4.42Å; L48-F81 HydrophobicContact CG-CE1 4.49Å; L48-F81 HydrophobicContact CG-CE2 3.74Å; L48-F81 HydrophobicContact CG-CZ 3.77Å; L51-F81 HydrophobicContact CD1-CZ 4.18Å; L70-F81 HydrophobicContact CD1-CE1 4.13Å; L70-F81 HydrophobicContact CD1-CZ 4.15Å; C73-F81 HydrophobicContact CB-CD1 4.15Å; C73-F81 HydrophobicContact CB-CD2 4.5Å; C73-F81 HydrophobicContact CB-CE1 3.5Å; C73-F81 VanDerWaalsContact CB-CE1 3.5Å; C73-F81 HydrophobicContact CB-CE2 3.91Å; C73-F81 HydrophobicContact CB-CZ 3.36Å; M74-F81 HydrophobicContact CG-CD1 4.39Å; M74-F81 HydrophobicContact CG-CE1 4.06Å; M74-F81 HydrophobicContact SD-CD1 3.61Å; M74-F81 HydrophobicContact SD-CE1 3.65Å; C77-F81 HydrophobicContact CB-CB 3.45Å; C77-F81 VanDerWaalsContact CB-CB 3.45Å; C77-F81 HydrophobicContact CB-CD1 4.42Å; C77-F81 HydrophobicContact CB-CD2 4.12Å; C77-F81 HydrophobicContact CB-CG 3.77Å; G78-F81 WeakPolarHBondContact O-CB 3.36Å; G78-F81 PolarHBondContact O-N 2.97Å; R79-F81 PolarHBondContact O-N 2.67Å; F81-S83 PolarHBondContact O-N 2.77Å; F81-E84 PolarHBondContact O-N 3.46Å; F81-A85 WeakPolarHBondContact O-CB 3.49Å; F81-A85 PolarHBondContact O-N 3.36Å
82H91.1Very high90Very high17 Ų1752.2 Ų52.28%0.07924%0.242CC..Hα-helixtrans-58.8-48.5179.3-50.7152.1000112.5M74 G78 R79 E84 A85 A86 W125 L126M74-H82 PolarHBondContact O-NE2 2.75Å; G78-H82 PolarHBondContact O-CD2 2.94Å; G78-H82 PolarHBondContact O-N 3.42Å; G78-H82 PolarHBondContact O-ND1 3.31Å; R79-H82 WeakPolarHBondContact CA-ND1 3.35Å; R79-H82 PolarHBondContact N-ND1 3.1Å; R79-H82 PolarHBondContact O-N 3.47Å; H82-E84 PolarHBondContact O-N 3.16Å; H82-A85 PolarHBondContact O-N 3.48Å; H82-A86 VanDerWaalsContact O-CB 3.28Å; H82-A86 WeakPolarHBondContact O-CB 3.37Å; H82-A86 PolarHBondContact O-N 3.13Å; H82-W125 AromaticContact CD2-CZ3 3.87Å; H82-W125 AromaticContact CE1-CH2 3.38Å; H82-W125 WeakPolarHBondContact CE1-CH2 3.44Å; H82-W125 AromaticContact CE1-CZ3 3.53Å; H82-W125 AromaticContact NE2-CH2 3.47Å; H82-W125 WeakPolarHBondContact NE2-CH2 3.48Å; H82-W125 AromaticContact NE2-CZ3 3.43Å; H82-W125 WeakPolarHBondContact NE2-CZ3 3.48Å; H82-L126 HydrophobicContact CB-CD1 4.22Å; H82-L126 HydrophobicContact CB-CD2 4.21Å
83S90.3Very high90.3Very high55 Ų5554.1 Ų54.139%0.38525%0.25SC..Hα-helixtrans-73.5-10.3-179.5-65.70000114.3R79 F81 K87 E129R79-S83 PolarHBondContact O-N 3.02Å; F81-S83 PolarHBondContact O-N 2.77Å; S83-K87 VanDerWaalsContact O-CE 3.27Å; S83-K87 WeakPolarHBondContact O-CE 3.47Å; S83-K87 WeakPolarHBondContact O-CG 3.48Å; S83-E129 PolarHBondContact OG-OE1 3.38Å
84E92.3Very high90.3Very high40 Ų4054.2 Ų54.219%0.18725%0.25CC..Hα-helixtrans-86.9-44.7165.4-70.2-64.6161.200111P44 Q45 L48 F81 H82 A86 K87P44-E84 HydrophobicContact CB-CG 4.24Å; Q45-E84 VanDerWaalsContact CG-CD 3.45Å; Q45-E84 HydrophobicContact CG-CG 3.97Å; Q45-E84 PolarHBondContact NE2-OE1 3.33Å; L48-E84 HydrophobicContact CD1-CB 3.42Å; L48-E84 VanDerWaalsContact CD1-CB 3.42Å; F81-E84 PolarHBondContact O-N 3.46Å; H82-E84 PolarHBondContact O-N 3.16Å; E84-A86 VanDerWaalsContact C-N 3.28Å; E84-A86 PolarHBondContact O-N 3.35Å; E84-K87 WeakPolarHBondContact O-CB 3.39Å; E84-K87 PolarHBondContact O-N 2.94Å; E84-K87 VanDerWaalsContact O-N 3.1Å; E84-K87 IonicContact OE1-NZ 2.75Å; E84-K87 PolarHBondContact OE1-NZ 3.35Å; E84-K87 WeakPolarHBondContact OE2-CD 3.37Å; E84-K87 VanDerWaalsContact OE2-CE 3.24Å; E84-K87 WeakPolarHBondContact OE2-CE 3.45Å; E84-K87 IonicContact OE2-NZ 3.53Å; E84-K87 PolarHBondContact OE2-NZ 3.03Å
85A91.6Very high90.4Very high0 Ų054.9 Ų54.90%025%0.254CS..Hα-helixtrans-62.6-33.7177.400000112.6L48 M74 F81 H82 K87 F90 W122L48-A85 HydrophobicContact CD1-CB 4.05Å; L48-A85 VanDerWaalsContact CD1-N 3.35Å; L48-A85 HydrophobicContact CD2-CB 4.02Å; M74-A85 HydrophobicContact SD-CB 3.89Å; F81-A85 WeakPolarHBondContact O-CB 3.49Å; F81-A85 PolarHBondContact O-N 3.36Å; H82-A85 PolarHBondContact O-N 3.48Å; A85-K87 PolarHBondContact O-N 3.02Å; A85-F90 HydrophobicContact CB-CD1 4.38Å; A85-W122 HydrophobicContact CB-CH2 4.29Å; A85-W122 HydrophobicContact CB-CZ3 4.3Å
86A91.1Very high90.6Very high0 Ų054.4 Ų54.40%025%0.248CC..THydrogen-bonded Turntrans-70.9-9.9175.900000114.4H82 E84 L91 E129 K131 I132H82-A86 VanDerWaalsContact O-CB 3.28Å; H82-A86 WeakPolarHBondContact O-CB 3.37Å; H82-A86 PolarHBondContact O-N 3.13Å; E84-A86 VanDerWaalsContact C-N 3.28Å; E84-A86 PolarHBondContact O-N 3.35Å; A86-L91 WeakPolarHBondContact O-CD1 3.39Å; A86-E129 HydrophobicContact CB-CB 3.91Å; A86-E129 VanDerWaalsContact CB-CD 3.43Å; A86-E129 HydrophobicContact CB-CG 3.63Å; A86-K131 WeakPolarHBondContact O-CB 3.34Å; A86-I132 HydrophobicContact CB-CD1 3.89Å; A86-I132 HydrophobicContact CB-CG1 4.08Å
87K93.1Very high90.7Very high81 Ų8150.7 Ų50.735%0.35223%0.228SC..SBendtrans-74.7140177.9-64.4177.6-172.61730110.3S83 E84 A85 R89 F90 L91S83-K87 VanDerWaalsContact O-CE 3.27Å; S83-K87 WeakPolarHBondContact O-CE 3.47Å; S83-K87 WeakPolarHBondContact O-CG 3.48Å; E84-K87 WeakPolarHBondContact O-CB 3.39Å; E84-K87 PolarHBondContact O-N 2.94Å; E84-K87 VanDerWaalsContact O-N 3.1Å; E84-K87 IonicContact OE1-NZ 2.75Å; E84-K87 PolarHBondContact OE1-NZ 3.35Å; E84-K87 WeakPolarHBondContact OE2-CD 3.37Å; E84-K87 VanDerWaalsContact OE2-CE 3.24Å; E84-K87 WeakPolarHBondContact OE2-CE 3.45Å; E84-K87 IonicContact OE2-NZ 3.53Å; E84-K87 PolarHBondContact OE2-NZ 3.03Å; A85-K87 PolarHBondContact O-N 3.02Å; K87-R89 PolarHBondContact O-N 3.3Å; K87-F90 PolarHBondContact O-N 2.91Å; K87-L91 PolarHBondContact O-N 3.02Å
88F91.8Very high90.7Very high81 Ų8150.4 Ų50.436%0.35523%0.225SC..Hα-helixtrans-53.2-25.6172.5-69.8-61.6000113.6F90 L91 N92 K131 E134 A135F88-F90 VanDerWaalsContact C-N 3.26Å; F88-F90 PolarHBondContact O-N 3.05Å; F88-L91 HydrophobicContact CD1-CD1 4.25Å; F88-N92 WeakPolarHBondContact O-CB 3.33Å; F88-N92 PolarHBondContact O-N 3.12Å; F88-N92 PolarHBondContact O-ND2 3.37Å; F88-N92 VanDerWaalsContact O-ND2 3.15Å; F88-K131 HydrophobicContact CD2-CD 4.24Å; F88-K131 HydrophobicContact CE1-CB 4.13Å; F88-K131 HydrophobicContact CE2-CB 3.96Å; F88-K131 HydrophobicContact CE2-CD 4.08Å; F88-K131 HydrophobicContact CE2-CG 3.96Å; F88-K131 HydrophobicContact CZ-CB 3.73Å; F88-K131 HydrophobicContact CZ-CG 4.18Å; F88-E134 HydrophobicContact CZ-CB 4.42Å; F88-A135 HydrophobicContact CE1-CB 4.49Å
89R91.6Very high90.8Very high210 Ų21049.4 Ų49.479%0.79221%0.214SC*.Hα-helixtrans-55.5-38.4171.9-175.5179.7176.492.63.9113K87K87-R89 PolarHBondContact O-N 3.3Å
90F94.2Very high90.7Very high12 Ų1244 Ų445%0.05320%0.204CC..Hα-helixtrans-92.8-43.7176.7-179.4-96.7000111.8L48 A52 L70 A85 K87 F88 N92 E93 L94 W122L48-F90 HydrophobicContact CB-CD2 3.81Å; L48-F90 HydrophobicContact CB-CE2 4.14Å; L48-F90 HydrophobicContact CB-CG 4.48Å; L48-F90 HydrophobicContact CD2-CD1 4.2Å; L48-F90 HydrophobicContact CD2-CD2 3.8Å; L48-F90 HydrophobicContact CD2-CE1 4.06Å; L48-F90 HydrophobicContact CD2-CE2 3.62Å; L48-F90 HydrophobicContact CD2-CG 4.08Å; L48-F90 HydrophobicContact CD2-CZ 3.76Å; L48-F90 HydrophobicContact CG-CD2 4.36Å; L48-F90 WeakPolarHBondContact O-CD2 3.29Å; L48-F90 WeakPolarHBondContact O-CE2 3.47Å; A52-F90 HydrophobicContact CB-CD2 4.18Å; A52-F90 HydrophobicContact CB-CE2 3.97Å; L70-F90 HydrophobicContact CD1-CE1 4.34Å; L70-F90 HydrophobicContact CD1-CZ 3.92Å; L70-F90 HydrophobicContact CD2-CE1 4.29Å; L70-F90 HydrophobicContact CD2-CZ 3.94Å; A85-F90 HydrophobicContact CB-CD1 4.38Å; K87-F90 PolarHBondContact O-N 2.91Å; F88-F90 VanDerWaalsContact C-N 3.26Å; F88-F90 PolarHBondContact O-N 3.05Å; F90-N92 PolarHBondContact O-N 2.95Å; F90-E93 WeakPolarHBondContact O-CB 3.41Å; F90-E93 PolarHBondContact O-N 3.19Å; F90-L94 HydrophobicContact CD1-CD1 4.45Å; F90-L94 HydrophobicContact CE1-CD1 3.73Å; F90-L94 HydrophobicContact CE1-CG 4.04Å; F90-L94 HydrophobicContact CZ-CD1 4.38Å; F90-L94 HydrophobicContact CZ-CD2 4.41Å; F90-L94 HydrophobicContact CZ-CG 4.35Å; F90-L94 PolarHBondContact O-N 2.75Å; F90-W122 HydrophobicContact CD1-CZ3 4.48Å; F90-W122 AromaticContact CE1-CH2 3.84Å; F90-W122 HydrophobicContact CE1-CH2 3.84Å; F90-W122 HydrophobicContact CE1-CZ3 4.11Å
91L92.6Very high90.3Very high1 Ų146.2 Ų46.21%0.00522%0.217CC..Hα-helixtrans-56.8-36.3178.8-60.5173.4000112.4A86 K87 F88 E93 L94 I95 L119 W122 K131 I132 A135A86-L91 WeakPolarHBondContact O-CD1 3.39Å; K87-L91 PolarHBondContact O-N 3.02Å; F88-L91 HydrophobicContact CD1-CD1 4.25Å; L91-E93 PolarHBondContact O-N 3.35Å; L91-L94 PolarHBondContact O-N 3.03Å; L91-I95 HydrophobicContact CB-CD1 4.48Å; L91-I95 WeakPolarHBondContact O-CD1 3.28Å; L91-I95 VanDerWaalsContact O-CG1 3.26Å; L91-I95 WeakPolarHBondContact O-CG1 3.3Å; L91-I95 PolarHBondContact O-N 3.24Å; L91-L119 HydrophobicContact CD2-CD2 4.05Å; L91-W122 HydrophobicContact CD2-CE3 4.4Å; L91-W122 HydrophobicContact CD2-CZ3 4.22Å; L91-K131 HydrophobicContact CD1-CB 4.29Å; L91-I132 HydrophobicContact CD1-CG1 4.09Å; L91-I132 HydrophobicContact CD2-CG1 4.3Å; L91-A135 HydrophobicContact CD1-CB 4.23Å
92N91.8Very high90Very high71 Ų7153 Ų5338%0.3824%0.243SC..Hα-helixtrans-62.7-29.6176-74-18.2000112.9F88 F90 I95 K96F88-N92 WeakPolarHBondContact O-CB 3.33Å; F88-N92 PolarHBondContact O-N 3.12Å; F88-N92 PolarHBondContact O-ND2 3.37Å; F88-N92 VanDerWaalsContact O-ND2 3.15Å; F90-N92 PolarHBondContact O-N 2.95Å; N92-I95 PolarHBondContact O-N 2.99Å; N92-K96 WeakPolarHBondContact O-CG 3.37Å; N92-K96 PolarHBondContact O-N 2.95Å
93E93.8Very high89.5Confident45 Ų4555.9 Ų55.921%0.2126%0.256CS..Hα-helixtrans-71.9-33.3177.3-57.3-51.3138.600111.9A52 Q56 F90 L91 K96A52-E93 HydrophobicContact CB-CB 3.88Å; A52-E93 HydrophobicContact CB-CG 4.04Å; Q56-E93 PolarHBondContact NE2-O 3.48Å; Q56-E93 PolarHBondContact NE2-OE2 2.67Å; F90-E93 WeakPolarHBondContact O-CB 3.41Å; F90-E93 PolarHBondContact O-N 3.19Å; L91-E93 PolarHBondContact O-N 3.35Å; E93-K96 WeakPolarHBondContact OE1-CE 3.28Å; E93-K96 IonicContact OE1-NZ 3.79Å; E93-K96 PolarHBondContact OE1-NZ 3.06Å; E93-K96 WeakPolarHBondContact OE2-CE 3.37Å; E93-K96 IonicContact OE2-NZ 2.71Å; E93-K96 PolarHBondContact OE2-NZ 2.77Å
94L91.5Very high89Confident1 Ų153.6 Ų53.61%0.00524%0.241CC..Hα-helixtrans-73.1-40.2169.3-61.1-177.3000111.9V55 F90 L91 K96 I97 L98 V115 L119 W122V55-L94 HydrophobicContact CG1-CD2 3.93Å; F90-L94 HydrophobicContact CD1-CD1 4.45Å; F90-L94 HydrophobicContact CE1-CD1 3.73Å; F90-L94 HydrophobicContact CE1-CG 4.04Å; F90-L94 HydrophobicContact CZ-CD1 4.38Å; F90-L94 HydrophobicContact CZ-CD2 4.41Å; F90-L94 HydrophobicContact CZ-CG 4.35Å; F90-L94 PolarHBondContact O-N 2.75Å; L91-L94 PolarHBondContact O-N 3.03Å; L94-K96 VanDerWaalsContact C-N 3.28Å; L94-K96 PolarHBondContact O-N 3.4Å; L94-I97 HydrophobicContact CD2-CD1 4.41Å; L94-I97 WeakPolarHBondContact O-CB 3.21Å; L94-I97 PolarHBondContact O-N 3.14Å; L94-L98 PolarHBondContact O-N 3.23Å; L94-V115 HydrophobicContact CB-CG1 4.03Å; L94-V115 HydrophobicContact CD2-CG1 4.35Å; L94-L119 HydrophobicContact CB-CD1 4.35Å; L94-L119 HydrophobicContact CD1-CD2 3.89Å; L94-L119 HydrophobicContact CD1-CG 4.25Å; L94-W122 HydrophobicContact CD1-CH2 4.38Å; L94-W122 HydrophobicContact CD1-CZ3 4.24Å
95I90.4Very high88.5Confident15 Ų1556.1 Ų56.18%0.07726%0.259CS..Hα-helixtrans-59.4-37.2177.1-71.1159.2000111.4L91 N92 I97 L98 T99 A135 M138 L139L91-I95 HydrophobicContact CB-CD1 4.48Å; L91-I95 WeakPolarHBondContact O-CD1 3.28Å; L91-I95 VanDerWaalsContact O-CG1 3.26Å; L91-I95 WeakPolarHBondContact O-CG1 3.3Å; L91-I95 PolarHBondContact O-N 3.24Å; N92-I95 PolarHBondContact O-N 2.99Å; I95-I97 VanDerWaalsContact C-N 3.26Å; I95-I97 PolarHBondContact O-N 2.96Å; I95-L98 PolarHBondContact O-N 3.05Å; I95-T99 WeakPolarHBondContact CG2-OG1 3.44Å; I95-T99 WeakPolarHBondContact O-CB 3.29Å; I95-T99 PolarHBondContact O-N 3.28Å; I95-T99 PolarHBondContact O-OG1 3.5Å; I95-A135 HydrophobicContact CD1-CB 4.05Å; I95-M138 HydrophobicContact CD1-CE 3.81Å; I95-M138 HydrophobicContact CG1-CE 4.43Å; I95-M138 HydrophobicContact CG2-CE 4.15Å; I95-L139 HydrophobicContact CG1-CD1 4.25Å; I95-L139 HydrophobicContact CG1-CD2 4.45Å; I95-L139 HydrophobicContact CG2-CD2 4.29Å
96K91.2Very high88Confident58 Ų5866.3 Ų66.325%0.25230%0.298SS..Hα-helixtrans-60-32.9175.2-72.8171-158.2173.30113.2N92 E93 L94 Y102 F103 G104N92-K96 WeakPolarHBondContact O-CG 3.37Å; N92-K96 PolarHBondContact O-N 2.95Å; E93-K96 WeakPolarHBondContact OE1-CE 3.28Å; E93-K96 IonicContact OE1-NZ 3.79Å; E93-K96 PolarHBondContact OE1-NZ 3.06Å; E93-K96 WeakPolarHBondContact OE2-CE 3.37Å; E93-K96 IonicContact OE2-NZ 2.71Å; E93-K96 PolarHBondContact OE2-NZ 2.77Å; L94-K96 VanDerWaalsContact C-N 3.28Å; L94-K96 PolarHBondContact O-N 3.4Å; K96-Y102 HydrophobicContact CB-CG 4.36Å; K96-Y102 HydrophobicContact CG-CD2 4.14Å; K96-Y102 HydrophobicContact CG-CG 4.03Å; K96-Y102 WeakPolarHBondContact O-CB 3.36Å; K96-F103 HydrophobicContact CB-CD2 3.81Å; K96-F103 HydrophobicContact CB-CE2 4.19Å; K96-F103 HydrophobicContact CD-CE2 4.24Å; K96-F103 PolarHBondContact O-N 2.94Å; K96-G104 PolarHBondContact O-N 3.25Å
97I89.1Confident87.7Confident0 Ų067 Ų670%030%0.302CS..Hα-helixtrans-72.2-37.5179.3-59.5170.3000110.9V55 Q56 L94 I95 G104 V111 K112 V115V55-I97 HydrophobicContact CB-CD1 4.43Å; V55-I97 HydrophobicContact CG1-CD1 3.65Å; V55-I97 WeakPolarHBondContact O-CD1 3.13Å; Q56-I97 HydrophobicContact CG-CD1 3.77Å; Q56-I97 HydrophobicContact CG-CG1 3.8Å; L94-I97 HydrophobicContact CD2-CD1 4.41Å; L94-I97 WeakPolarHBondContact O-CB 3.21Å; L94-I97 PolarHBondContact O-N 3.14Å; I95-I97 VanDerWaalsContact C-N 3.26Å; I95-I97 PolarHBondContact O-N 2.96Å; I97-G104 WeakPolarHBondContact O-CA 3.35Å; I97-G104 PolarHBondContact O-N 3.12Å; I97-V111 HydrophobicContact CG2-CG1 4.28Å; I97-K112 HydrophobicContact CG2-CG 4.3Å; I97-V115 HydrophobicContact CG2-CG2 4.32Å
98L86.8Confident87.5Confident9 Ų964.7 Ų64.75%0.04730%0.296CS..Hα-helixtrans-79.8-32.8177.2-59.5-176.7000112.8L94 I95 P100 K112 V115 T116 L119 L139 I144L94-L98 PolarHBondContact O-N 3.23Å; I95-L98 PolarHBondContact O-N 3.05Å; L98-P100 WeakPolarHBondContact O-CD 3.16Å; L98-K112 HydrophobicContact CD2-CB 3.78Å; L98-K112 HydrophobicContact CD2-CG 4.19Å; L98-K112 WeakPolarHBondContact CD2-O 3.4Å; L98-V115 HydrophobicContact CD1-CG1 4.03Å; L98-V115 HydrophobicContact CD2-CB 4Å; L98-V115 HydrophobicContact CD2-CG1 3.94Å; L98-V115 HydrophobicContact CG-CB 4.5Å; L98-V115 HydrophobicContact CG-CG1 3.88Å; L98-T116 WeakPolarHBondContact CD2-OG1 3.18Å; L98-L119 HydrophobicContact CD1-CD1 3.88Å; L98-L139 HydrophobicContact CB-CD2 4.19Å; L98-L139 HydrophobicContact CD1-CD1 3.71Å; L98-L139 HydrophobicContact CD1-CD2 4.28Å; L98-I144 HydrophobicContact CB-CG2 3.85Å; L98-I144 WeakPolarHBondContact O-CG2 3.36Å
99T87.8Confident87.3Confident8 Ų866.2 Ų66.25%0.04930%0.304CS..  trans-79.5120.1-170.7-60.20000112.1I95 K101 Y102 G104 I144I95-T99 WeakPolarHBondContact CG2-OG1 3.44Å; I95-T99 WeakPolarHBondContact O-CB 3.29Å; I95-T99 PolarHBondContact O-N 3.28Å; I95-T99 PolarHBondContact O-OG1 3.5Å; T99-K101 HydrophobicContact CG2-CB 4.04Å; T99-K101 HydrophobicContact CG2-CG 4.43Å; T99-K101 PolarHBondContact O-N 3.24Å; T99-Y102 HydrophobicContact CG2-CD2 3.78Å; T99-Y102 HydrophobicContact CG2-CE2 4.19Å; T99-Y102 PolarHBondContact O-N 3Å; T99-G104 PolarHBondContact O-N 3.43Å; T99-G104 VanDerWaalsContact O-N 3.13Å; T99-I144 HydrophobicContact CG2-CD1 4.35Å
100P82.8Confident87.1Confident78 Ų7861.9 Ų61.951%0.50629%0.291SS..THydrogen-bonded Turntrans-63.3-13.9-178.8-25.235.7000115.7L98 Y102 T105L98-P100 WeakPolarHBondContact O-CD 3.16Å; P100-Y102 VanDerWaalsContact C-N 3.28Å; P100-T105 HydrophobicContact CB-CG2 4.32Å
101K80.2Confident86.9Confident189 Ų18961.4 Ų61.482%0.82229%0.289SS*.THydrogen-bonded Turntrans-77.8-9.2174.4-61-177.8178.2178.70114T99T99-K101 HydrophobicContact CG2-CB 4.04Å; T99-K101 HydrophobicContact CG2-CG 4.43Å; T99-K101 PolarHBondContact O-N 3.24Å
102Y85.1Confident86.7Confident141 Ų14162.8 Ų62.855%0.55330%0.295SS*.THydrogen-bonded Turntrans-124.6-103.6-178.5-60.6-70.8000109.8K96 T99 P100K96-Y102 HydrophobicContact CB-CG 4.36Å; K96-Y102 HydrophobicContact CG-CD2 4.14Å; K96-Y102 HydrophobicContact CG-CG 4.03Å; K96-Y102 WeakPolarHBondContact O-CB 3.36Å; T99-Y102 HydrophobicContact CG2-CD2 3.78Å; T99-Y102 HydrophobicContact CG2-CE2 4.19Å; T99-Y102 PolarHBondContact O-N 3Å; P100-Y102 VanDerWaalsContact C-N 3.28Å
103F81.7Confident86.6Confident79 Ų7963 Ų6335%0.34630%0.296SS..THydrogen-bonded Turntrans-96.7-12.5-178.1-56.7-55.3000113.4Q56 K96 T105 W106 S107Q56-F103 HydrophobicContact CG-CD2 4.26Å; Q56-F103 HydrophobicContact CG-CE2 4.23Å; K96-F103 HydrophobicContact CB-CD2 3.81Å; K96-F103 HydrophobicContact CB-CE2 4.19Å; K96-F103 HydrophobicContact CD-CE2 4.24Å; K96-F103 PolarHBondContact O-N 2.94Å; F103-T105 PolarHBondContact O-N 3.38Å; F103-W106 WeakPolarHBondContact O-CA 3.48Å; F103-W106 PolarHBondContact O-N 3.48Å; F103-S107 PolarHBondContact O-N 3.19Å; F103-S107 PolarHBondContact O-OG 2.89Å; F103-S107 VanDerWaalsContact O-OG 3.14Å
104G79.1Confident86.3Confident7 Ų763.5 Ų63.57%0.07230%0.296CS..THydrogen-bonded Turntrans-62.3-14.3-173.200000117.4K96 I97 T99 K112K96-G104 PolarHBondContact O-N 3.25Å; I97-G104 WeakPolarHBondContact O-CA 3.35Å; I97-G104 PolarHBondContact O-N 3.12Å; T99-G104 PolarHBondContact O-N 3.43Å; T99-G104 VanDerWaalsContact O-N 3.13Å; G104-K112 PolarHBondContact O-NZ 2.85Å
105T80.7Confident86.3Confident93 Ų9363.4 Ų63.457%0.57130%0.296SS*.THydrogen-bonded Turntrans-82.2-26.4168.544.10000113.7P100 F103P100-T105 HydrophobicContact CB-CG2 4.32Å; F103-T105 PolarHBondContact O-N 3.38Å
106W81.7Confident86.2Confident214 Ų21463.6 Ų63.681%0.81130%0.297SS*.THydrogen-bonded Turntrans-101.5-31.8-175.3-53.198.2000112.5F103F103-W106 WeakPolarHBondContact O-CA 3.48Å; F103-W106 PolarHBondContact O-N 3.48Å
107S85.9Confident86.1Confident13 Ų1362.7 Ų62.79%0.09129%0.294CS..SBendtrans-67.9132.2179.4-57.20000111.5F103 K112F103-S107 PolarHBondContact O-N 3.19Å; F103-S107 PolarHBondContact O-OG 2.89Å; F103-S107 VanDerWaalsContact O-OG 3.14Å; S107-K112 VanDerWaalsContact O-CE 3.26Å; S107-K112 WeakPolarHBondContact O-CE 3.48Å; S107-K112 PolarHBondContact O-NZ 2.83Å
108P88.5Confident86Confident33 Ų3363 Ų6321%0.21430%0.296CS..  trans-54.8148.5176.2-26.434.3000112.7E60 K110 V111 K112E60-P108 HydrophobicContact CB-CB 4.45Å; E60-P108 HydrophobicContact CB-CG 3.97Å; E60-P108 HydrophobicContact CG-CB 4.04Å; E60-P108 HydrophobicContact CG-CG 4.09Å; P108-K110 PolarHBondContact O-N 3.09Å; P108-V111 HydrophobicContact CB-CG2 4.15Å; P108-V111 HydrophobicContact CG-CG2 4.28Å; P108-V111 PolarHBondContact O-N 2.99Å; P108-K112 PolarHBondContact O-N 3.23Å
109Q86.9Confident86.1Confident113 Ų11362.7 Ų62.753%0.52829%0.294SS..Hα-helixtrans-60.4-45.1-176.1-169.754.741.600111.9V111 K112 D113Q109-V111 VanDerWaalsContact C-N 3.27Å; Q109-V111 PolarHBondContact O-N 3.45Å; Q109-K112 CarbonylContact O-C 3.51Å; Q109-K112 WeakPolarHBondContact O-CA 3.35Å; Q109-K112 WeakPolarHBondContact O-CB 3.29Å; Q109-K112 PolarHBondContact O-N 2.9Å; Q109-D113 PolarHBondContact NE2-OD1 3.15Å; Q109-D113 PolarHBondContact O-N 3.28Å
110K87.4Confident86.1Confident119 Ų11964.9 Ų64.952%0.51730%0.302SS..Hα-helixtrans-57.3-34.1177.3-169.4-175.5173.2-164.50113.9E60 L64 P108 R114E60-K110 WeakPolarHBondContact OE1-CD 3.36Å; E60-K110 IonicContact OE1-NZ 2.79Å; L64-K110 HydrophobicContact CD1-CD 4Å; L64-K110 HydrophobicContact CD1-CG 4.5Å; P108-K110 PolarHBondContact O-N 3.09Å; K110-R114 WeakPolarHBondContact O-CB 3.28Å; K110-R114 PolarHBondContact O-N 3.06Å
111V89.4Confident86.3Confident3 Ų361.7 Ų61.72%0.01828%0.283CS..Hα-helixtrans-70-43174.5177.80000110.3E60 A63 L64 L67 I97 P108 Q109 R114 V115E60-V111 HydrophobicContact CG-CG2 3.97Å; A63-V111 HydrophobicContact CB-CG1 4.01Å; A63-V111 HydrophobicContact CB-CG2 4.05Å; L64-V111 HydrophobicContact CD2-CG2 4.3Å; L64-V111 HydrophobicContact CG-CG2 4.2Å; L67-V111 HydrophobicContact CD1-CG1 4.37Å; I97-V111 HydrophobicContact CG2-CG1 4.28Å; P108-V111 HydrophobicContact CB-CG2 4.15Å; P108-V111 HydrophobicContact CG-CG2 4.28Å; P108-V111 PolarHBondContact O-N 2.99Å; Q109-V111 VanDerWaalsContact C-N 3.27Å; Q109-V111 PolarHBondContact O-N 3.45Å; V111-R114 PolarHBondContact O-N 2.85Å; V111-V115 HydrophobicContact CG1-CG2 4.39Å; V111-V115 WeakPolarHBondContact O-CB 3.45Å; V111-V115 VanDerWaalsContact O-CG2 3.29Å; V111-V115 WeakPolarHBondContact O-CG2 3.37Å; V111-V115 PolarHBondContact O-N 3.38Å
112K89.5Confident86.7Confident30 Ų3052.8 Ų52.813%0.1325%0.245CC..Hα-helixtrans-66.2-37.9176.9-65.7177.9-59.4-1460112I97 L98 G104 S107 P108 Q109 T116I97-K112 HydrophobicContact CG2-CG 4.3Å; L98-K112 HydrophobicContact CD2-CB 3.78Å; L98-K112 HydrophobicContact CD2-CG 4.19Å; L98-K112 WeakPolarHBondContact CD2-O 3.4Å; G104-K112 PolarHBondContact O-NZ 2.85Å; S107-K112 VanDerWaalsContact O-CE 3.26Å; S107-K112 WeakPolarHBondContact O-CE 3.48Å; S107-K112 PolarHBondContact O-NZ 2.83Å; P108-K112 PolarHBondContact O-N 3.23Å; Q109-K112 CarbonylContact O-C 3.51Å; Q109-K112 WeakPolarHBondContact O-CA 3.35Å; Q109-K112 WeakPolarHBondContact O-CB 3.29Å; Q109-K112 PolarHBondContact O-N 2.9Å; K112-T116 WeakPolarHBondContact O-CB 3.38Å; K112-T116 PolarHBondContact O-N 3.44Å; K112-T116 PolarHBondContact O-OG1 3.41Å
113D88.9Confident86.7Confident74 Ų7446.9 Ų46.940%0.39622%0.223SC..Hα-helixtrans-62.8-48.6174.2-58.4-29.2000109.8Q109 T116 E117Q109-D113 PolarHBondContact NE2-OD1 3.15Å; Q109-D113 PolarHBondContact O-N 3.28Å; D113-T116 CarbonylContact O-C 3.59Å; D113-T116 WeakPolarHBondContact O-CA 3.49Å; D113-T116 WeakPolarHBondContact O-CB 3.35Å; D113-T116 PolarHBondContact O-N 3.25Å; D113-T116 VanDerWaalsContact O-N 3.08Å; D113-E117 PolarHBondContact O-N 2.93Å
114R88.4Confident86.7Confident56 Ų5647.1 Ų47.121%0.21123%0.228CC..Hα-helixtrans-64.9-40.9177.9-171.453.8170.2-153.7-6.1113.8L64 L67 E71 K110 V111 T116 E117 V118 L155L64-R114 HydrophobicContact CD2-CB 4.16Å; L64-R114 HydrophobicContact CD2-CG 4.41Å; L67-R114 HydrophobicContact CB-CG 4.44Å; L67-R114 HydrophobicContact CD1-CB 4.12Å; L67-R114 HydrophobicContact CD1-CG 3.92Å; E71-R114 VanDerWaalsContact CD-NH2 3.26Å; E71-R114 IonicContact OE1-CZ 3.15Å; E71-R114 VanDerWaalsContact OE1-CZ 3.26Å; E71-R114 IonicContact OE1-NE 3.78Å; E71-R114 PolarHBondContact OE1-NE 3.49Å; E71-R114 IonicContact OE1-NH2 3.31Å; E71-R114 PolarHBondContact OE1-NH2 3.34Å; E71-R114 IonicContact OE2-CZ 2.75Å; E71-R114 IonicContact OE2-NH2 3Å; E71-R114 PolarHBondContact OE2-NH2 3.22Å; K110-R114 WeakPolarHBondContact O-CB 3.28Å; K110-R114 PolarHBondContact O-N 3.06Å; V111-R114 PolarHBondContact O-N 2.85Å; R114-T116 PolarHBondContact O-N 2.89Å; R114-E117 WeakPolarHBondContact CD-OE2 3.29Å; R114-E117 IonicContact CZ-OE2 3.83Å; R114-E117 IonicContact NE-OE2 2.73Å; R114-E117 IonicContact NH1-OE2 3.11Å; R114-E117 PolarHBondContact NH1-OE2 3.35Å; R114-E117 WeakPolarHBondContact O-CB 3.32Å; R114-E117 PolarHBondContact O-N 2.93Å; R114-V118 HydrophobicContact CG-CG2 4.5Å; R114-V118 WeakPolarHBondContact O-CG2 3.35Å; R114-V118 PolarHBondContact O-N 2.9Å; R114-L155 VanDerWaalsContact NH2-CD2 3.33Å
115V90.4Very high86.5Confident0 Ų049.9 Ų49.90%024%0.236CC..Hα-helixtrans-60.9-34.2172.6172.30000111V55 L67 L94 I97 L98 V111 L119V55-V115 HydrophobicContact CG1-CG2 4.31Å; L67-V115 HydrophobicContact CD1-CG2 3.84Å; L67-V115 HydrophobicContact CD2-CG2 3.98Å; L94-V115 HydrophobicContact CB-CG1 4.03Å; L94-V115 HydrophobicContact CD2-CG1 4.35Å; I97-V115 HydrophobicContact CG2-CG2 4.32Å; L98-V115 HydrophobicContact CD1-CG1 4.03Å; L98-V115 HydrophobicContact CD2-CB 4Å; L98-V115 HydrophobicContact CD2-CG1 3.94Å; L98-V115 HydrophobicContact CG-CB 4.5Å; L98-V115 HydrophobicContact CG-CG1 3.88Å; V111-V115 HydrophobicContact CG1-CG2 4.39Å; V111-V115 WeakPolarHBondContact O-CB 3.45Å; V111-V115 VanDerWaalsContact O-CG2 3.29Å; V111-V115 WeakPolarHBondContact O-CG2 3.37Å; V111-V115 PolarHBondContact O-N 3.38Å; V115-L119 HydrophobicContact CG1-CD1 4.07Å; V115-L119 WeakPolarHBondContact O-CB 3.29Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 2.97Å
116T89.3Confident86.5Confident18 Ų1846.4 Ų46.411%0.1121%0.214CC..Hα-helixtrans-71.8-39.7175.9-560000112.1L98 K112 D113 R114 Y120 Y136 V145 P149L98-T116 WeakPolarHBondContact CD2-OG1 3.18Å; K112-T116 WeakPolarHBondContact O-CB 3.38Å; K112-T116 PolarHBondContact O-N 3.44Å; K112-T116 PolarHBondContact O-OG1 3.41Å; D113-T116 CarbonylContact O-C 3.59Å; D113-T116 WeakPolarHBondContact O-CA 3.49Å; D113-T116 WeakPolarHBondContact O-CB 3.35Å; D113-T116 PolarHBondContact O-N 3.25Å; D113-T116 VanDerWaalsContact O-N 3.08Å; R114-T116 PolarHBondContact O-N 2.89Å; T116-Y120 VanDerWaalsContact O-CB 3.27Å; T116-Y120 WeakPolarHBondContact O-CB 3.34Å; T116-Y120 PolarHBondContact O-N 3.43Å; T116-Y136 HydrophobicContact CG2-CE2 4.3Å; T116-V145 HydrophobicContact CG2-CB 4.45Å; T116-V145 HydrophobicContact CG2-CG1 3.9Å; T116-V145 HydrophobicContact CG2-CG2 3.68Å; T116-P149 HydrophobicContact CG2-CG 4.29Å
117E88.4Confident86.2Confident39 Ų3943.2 Ų43.218%0.18221%0.206CC..Hα-helixtrans-59.2-50.4171.2-72.3173.5-177.200111.7D113 R114 Y120 G121 P149 L155D113-E117 PolarHBondContact O-N 2.93Å; R114-E117 WeakPolarHBondContact CD-OE2 3.29Å; R114-E117 IonicContact CZ-OE2 3.83Å; R114-E117 IonicContact NE-OE2 2.73Å; R114-E117 IonicContact NH1-OE2 3.11Å; R114-E117 PolarHBondContact NH1-OE2 3.35Å; R114-E117 WeakPolarHBondContact O-CB 3.32Å; R114-E117 PolarHBondContact O-N 2.93Å; E117-Y120 PolarHBondContact O-N 3.44Å; E117-G121 PolarHBondContact O-N 3.39Å; E117-P149 HydrophobicContact CG-CB 4.05Å; E117-P149 HydrophobicContact CG-CG 4.29Å; E117-L155 HydrophobicContact CB-CD1 4.42Å
118V88.3Confident85.7Confident6 Ų650.3 Ų50.34%0.03624%0.238CC..Hα-helixtrans-60.6-49.6-179.61710000111E71 R114 Y120 G121 W122E71-V118 HydrophobicContact CG-CG2 4.07Å; E71-V118 VanDerWaalsContact OE1-CG2 3.28Å; E71-V118 WeakPolarHBondContact OE1-CG2 3.43Å; R114-V118 HydrophobicContact CG-CG2 4.5Å; R114-V118 WeakPolarHBondContact O-CG2 3.35Å; R114-V118 PolarHBondContact O-N 2.9Å; V118-Y120 VanDerWaalsContact C-N 3.32Å; V118-Y120 PolarHBondContact O-N 3.4Å; V118-G121 PolarHBondContact O-N 2.93Å; V118-W122 HydrophobicContact CG1-CD2 4.21Å; V118-W122 VanDerWaalsContact CG1-CE2 3.5Å; V118-W122 HydrophobicContact CG1-CH2 4.37Å; V118-W122 HydrophobicContact CG1-CZ2 3.58Å; V118-W122 VanDerWaalsContact O-CG 3.24Å; V118-W122 PolarHBondContact O-N 3.11Å
119L88.6Confident85.5Confident3 Ų350.1 Ų50.12%0.01623%0.234CC..Hα-helixtrans-61.5-39.1176.4-75.9172.7000112.4L91 L94 L98 V115 W122 T123 Y136 L139L91-L119 HydrophobicContact CD2-CD2 4.05Å; L94-L119 HydrophobicContact CB-CD1 4.35Å; L94-L119 HydrophobicContact CD1-CD2 3.89Å; L94-L119 HydrophobicContact CD1-CG 4.25Å; L98-L119 HydrophobicContact CD1-CD1 3.88Å; V115-L119 HydrophobicContact CG1-CD1 4.07Å; V115-L119 WeakPolarHBondContact O-CB 3.29Å; V115-L119 WeakPolarHBondContact O-CG 3.46Å; V115-L119 PolarHBondContact O-N 2.97Å; L119-W122 HydrophobicContact CD2-CE3 4.36Å; L119-W122 PolarHBondContact O-N 3.02Å; L119-T123 PolarHBondContact O-N 3.04Å; L119-Y136 HydrophobicContact CB-CD2 4.15Å; L119-L139 HydrophobicContact CD1-CD1 3.99Å
120Y87.4Confident85.5Confident54 Ų5447.9 Ų47.921%0.21223%0.229CC..Hα-helixtrans-66.8-47.5178-178.1-127.8000111.6T116 E117 V118 W122 T123 L124 Y136 D148 P149 L151T116-Y120 VanDerWaalsContact O-CB 3.27Å; T116-Y120 WeakPolarHBondContact O-CB 3.34Å; T116-Y120 PolarHBondContact O-N 3.43Å; E117-Y120 PolarHBondContact O-N 3.44Å; V118-Y120 VanDerWaalsContact C-N 3.32Å; V118-Y120 PolarHBondContact O-N 3.4Å; Y120-W122 PolarHBondContact O-N 3.44Å; Y120-T123 PolarHBondContact O-N 2.88Å; Y120-T123 PolarHBondContact O-OG1 3.4Å; Y120-L124 HydrophobicContact CE1-CD1 4.2Å; Y120-L124 PolarHBondContact O-N 3.48Å; Y120-Y136 HydrophobicContact CD2-CD1 4.38Å; Y120-Y136 AromaticContact CD2-CE1 3.54Å; Y120-Y136 HydrophobicContact CD2-CE1 3.54Å; Y120-Y136 HydrophobicContact CD2-CE2 4.41Å; Y120-Y136 AromaticContact CD2-CZ 3.57Å; Y120-Y136 WeakPolarHBondContact CD2-OH 3.33Å; Y120-Y136 HydrophobicContact CE2-CE1 4.22Å; Y120-Y136 HydrophobicContact CG-CE1 4.38Å; Y120-Y136 AromaticContact CG-CZ 3.96Å; Y120-D148 HydrophobicContact CE1-CB 4.42Å; Y120-D148 HydrophobicContact CE2-CB 4.31Å; Y120-P149 HydrophobicContact CD1-CG 3.81Å; Y120-P149 HydrophobicContact CG-CG 4.15Å; Y120-L151 HydrophobicContact CD1-CD1 3.84Å; Y120-L151 HydrophobicContact CD1-CD2 3.84Å; Y120-L151 HydrophobicContact CD1-CG 3.76Å; Y120-L151 HydrophobicContact CE1-CD1 3.82Å; Y120-L151 HydrophobicContact CE1-CG 3.98Å
121G85.8Confident85.7Confident11 Ų1145.4 Ų45.411%0.11322%0.218CC..Hα-helixtrans-54.4-40.8174.400000112.4E117 V118 T123 L124 W125E117-G121 PolarHBondContact O-N 3.39Å; V118-G121 PolarHBondContact O-N 2.93Å; G121-T123 PolarHBondContact O-N 2.82Å; G121-L124 PolarHBondContact O-N 3.31Å; G121-W125 WeakPolarHBondContact O-CB 3.4Å; G121-W125 PolarHBondContact O-N 3.15Å
122W88.4Confident85.7Confident2 Ų245.3 Ų45.31%0.00822%0.218CC..Hα-helixtrans-65.6-32175.9-64.52.4000113.6L70 M74 A85 F90 L91 L94 V118 L119 Y120 L124 W125 L126 I132L70-W122 HydrophobicContact CD1-CH2 4.18Å; L70-W122 HydrophobicContact CD1-CZ2 4.28Å; L70-W122 HydrophobicContact CD2-CH2 3.95Å; L70-W122 HydrophobicContact CD2-CZ2 3.99Å; L70-W122 HydrophobicContact CG-CH2 4.24Å; L70-W122 HydrophobicContact CG-CZ2 4.01Å; M74-W122 HydrophobicContact CE-CD2 4.04Å; M74-W122 HydrophobicContact CE-CG 4.39Å; M74-W122 HydrophobicContact CE-CH2 4.48Å; M74-W122 HydrophobicContact CE-CZ2 4Å; M74-W122 HydrophobicContact CG-CH2 4.43Å; M74-W122 HydrophobicContact CG-CZ2 3.57Å; M74-W122 HydrophobicContact SD-CH2 4.27Å; M74-W122 HydrophobicContact SD-CZ2 3.89Å; A85-W122 HydrophobicContact CB-CH2 4.29Å; A85-W122 HydrophobicContact CB-CZ3 4.3Å; F90-W122 HydrophobicContact CD1-CZ3 4.48Å; F90-W122 AromaticContact CE1-CH2 3.84Å; F90-W122 HydrophobicContact CE1-CH2 3.84Å; F90-W122 HydrophobicContact CE1-CZ3 4.11Å; L91-W122 HydrophobicContact CD2-CE3 4.4Å; L91-W122 HydrophobicContact CD2-CZ3 4.22Å; L94-W122 HydrophobicContact CD1-CH2 4.38Å; L94-W122 HydrophobicContact CD1-CZ3 4.24Å; V118-W122 HydrophobicContact CG1-CD2 4.21Å; V118-W122 VanDerWaalsContact CG1-CE2 3.5Å; V118-W122 HydrophobicContact CG1-CH2 4.37Å; V118-W122 HydrophobicContact CG1-CZ2 3.58Å; V118-W122 VanDerWaalsContact O-CG 3.24Å; V118-W122 PolarHBondContact O-N 3.11Å; L119-W122 HydrophobicContact CD2-CE3 4.36Å; L119-W122 PolarHBondContact O-N 3.02Å; Y120-W122 PolarHBondContact O-N 3.44Å; W122-L124 VanDerWaalsContact C-N 3.28Å; W122-L124 PolarHBondContact O-N 3.42Å; W122-W125 PolarHBondContact O-N 2.77Å; W122-L126 WeakPolarHBondContact O-CB 3.47Å; W122-L126 PolarHBondContact O-N 3.1Å; W122-I132 HydrophobicContact CB-CD1 4.34Å; W122-I132 HydrophobicContact CB-CG2 3.84Å; W122-I132 HydrophobicContact CE3-CD1 4.44Å
123T85.3Confident85.6Confident17 Ų1747.1 Ų47.110%0.10423%0.227CC..Hα-helixtrans-67.8-27.9174.663.80000113.2L119 Y120 G121 I132 Q133 Y136L119-T123 PolarHBondContact O-N 3.04Å; Y120-T123 PolarHBondContact O-N 2.88Å; Y120-T123 PolarHBondContact O-OG1 3.4Å; G121-T123 PolarHBondContact O-N 2.82Å; T123-I132 HydrophobicContact CG2-CG2 3.98Å; T123-Q133 HydrophobicContact CG2-CG 4.29Å; T123-Y136 HydrophobicContact CG2-CD1 4.17Å; T123-Y136 HydrophobicContact CG2-CG 3.95Å
124L83.3Confident85.7Confident85 Ų8549 Ų4945%0.44523%0.233SC..Hα-helixtrans-82-35.1175.9-60.7179.4000112.6Y120 G121 W122 K127 L151Y120-L124 HydrophobicContact CE1-CD1 4.2Å; Y120-L124 PolarHBondContact O-N 3.48Å; G121-L124 PolarHBondContact O-N 3.31Å; W122-L124 VanDerWaalsContact C-N 3.28Å; W122-L124 PolarHBondContact O-N 3.42Å; L124-K127 WeakPolarHBondContact O-CE 3.36Å; L124-K127 WeakPolarHBondContact O-CG 3.47Å; L124-L151 HydrophobicContact CD1-CD1 3.58Å
125W74Confident85.8Confident65 Ų6546.4 Ų46.425%0.24622%0.224CC..Hα-helixtrans-85.6-51.1-176.4-161.170.7000112.6M74 H82 G121 W122 K127 M157 P160M74-W125 HydrophobicContact CE-CZ3 4.41Å; H82-W125 AromaticContact CD2-CZ3 3.87Å; H82-W125 AromaticContact CE1-CH2 3.38Å; H82-W125 WeakPolarHBondContact CE1-CH2 3.44Å; H82-W125 AromaticContact CE1-CZ3 3.53Å; H82-W125 AromaticContact NE2-CH2 3.47Å; H82-W125 WeakPolarHBondContact NE2-CH2 3.48Å; H82-W125 AromaticContact NE2-CZ3 3.43Å; H82-W125 WeakPolarHBondContact NE2-CZ3 3.48Å; G121-W125 WeakPolarHBondContact O-CB 3.4Å; G121-W125 PolarHBondContact O-N 3.15Å; W122-W125 PolarHBondContact O-N 2.77Å; W125-K127 VanDerWaalsContact C-N 3.33Å; W125-K127 PolarHBondContact O-N 3.23Å; W125-K127 VanDerWaalsContact O-N 3.15Å; W125-M157 HydrophobicContact CB-CE 4.11Å; W125-M157 HydrophobicContact CD2-CE 3.39Å; W125-M157 HydrophobicContact CE3-CE 3.34Å; W125-M157 HydrophobicContact CG-CE 3.74Å; W125-M157 HydrophobicContact CH2-CE 4.36Å; W125-M157 HydrophobicContact CZ2-CE 4.4Å; W125-M157 HydrophobicContact CZ3-CE 3.87Å; W125-P160 VanDerWaalsContact NE1-CD 3.31Å
126L79.8Confident85.8Confident20 Ų2046.9 Ų46.911%0.10523%0.226CC..  trans-91.960.9-178.8-62.6178.7000111.6M74 H82 W122 E128 E129 I132M74-L126 HydrophobicContact CE-CD1 3.77Å; H82-L126 HydrophobicContact CB-CD1 4.22Å; H82-L126 HydrophobicContact CB-CD2 4.21Å; W122-L126 WeakPolarHBondContact O-CB 3.47Å; W122-L126 PolarHBondContact O-N 3.1Å; L126-E128 PolarHBondContact O-N 2.72Å; L126-E128 VanDerWaalsContact O-N 3.16Å; L126-E129 HydrophobicContact CB-CB 4.29Å; L126-E129 PolarHBondContact O-N 3.44Å; L126-I132 HydrophobicContact CB-CD1 3.97Å; L126-I132 HydrophobicContact CD1-CD1 3.52Å; L126-I132 HydrophobicContact CG-CD1 4.36Å
127K76.6Confident85.7Confident146 Ų14649.8 Ų49.864%0.63524%0.241SC*.THydrogen-bonded Turntrans-59.8-22.9175.7-63.2-178.3-177.1177.10113.3L124 W125 E129L124-K127 WeakPolarHBondContact O-CE 3.36Å; L124-K127 WeakPolarHBondContact O-CG 3.47Å; W125-K127 VanDerWaalsContact C-N 3.33Å; W125-K127 PolarHBondContact O-N 3.23Å; W125-K127 VanDerWaalsContact O-N 3.15Å; K127-E129 VanDerWaalsContact C-N 3.34Å
128E75.5Confident85.8Confident163 Ų16351.3 Ų51.376%0.76225%0.248SC*.THydrogen-bonded Turntrans-74.7-16.6176.9-61.7177.6-175.900113.5L126 P130L126-E128 PolarHBondContact O-N 2.72Å; L126-E128 VanDerWaalsContact O-N 3.16Å; E128-P130 VanDerWaalsContact O-CD 3.24Å; E128-P130 WeakPolarHBondContact O-CD 3.42Å
129E84.6Confident85.8Confident28 Ų2851 Ų5113%0.13125%0.247CC..  trans-111.188.2-174.9-77-77.7-169.100112S83 A86 L126 K127 K131 I132S83-E129 PolarHBondContact OG-OE1 3.38Å; A86-E129 HydrophobicContact CB-CB 3.91Å; A86-E129 VanDerWaalsContact CB-CD 3.43Å; A86-E129 HydrophobicContact CB-CG 3.63Å; L126-E129 HydrophobicContact CB-CB 4.29Å; L126-E129 PolarHBondContact O-N 3.44Å; K127-E129 VanDerWaalsContact C-N 3.34Å; E129-K131 PolarHBondContact O-N 2.85Å; E129-K131 VanDerWaalsContact O-N 3.08Å; E129-K131 IonicContact OE2-NZ 3.63Å; E129-K131 PolarHBondContact OE2-NZ 3.08Å; E129-I132 HydrophobicContact CB-CD1 4.09Å; E129-I132 HydrophobicContact CB-CG1 4.29Å; E129-I132 PolarHBondContact O-N 2.67Å
130P87Confident85.8Confident66 Ų6654.4 Ų54.443%0.42926%0.261SS..Hα-helixtrans-61.3-25.5-173.723.6-34.5000113.6E128 I132 Q133 E134E128-P130 VanDerWaalsContact O-CD 3.24Å; E128-P130 WeakPolarHBondContact O-CD 3.42Å; P130-I132 PolarHBondContact O-N 3.33Å; P130-Q133 CarbonylContact O-C 3.56Å; P130-Q133 WeakPolarHBondContact O-CA 3.44Å; P130-Q133 WeakPolarHBondContact O-CB 3.23Å; P130-Q133 PolarHBondContact O-N 3.5Å; P130-E134 WeakPolarHBondContact O-CG 3.42Å; P130-E134 PolarHBondContact O-N 3.16Å
131K90.6Very high85.8Confident68 Ų6860.6 Ų60.630%0.29629%0.289SS..Hα-helixtrans-57.5-34.3180-50.1-174.9-155.9840112.9A86 F88 L91 E129 A135A86-K131 WeakPolarHBondContact O-CB 3.34Å; F88-K131 HydrophobicContact CD2-CD 4.24Å; F88-K131 HydrophobicContact CE1-CB 4.13Å; F88-K131 HydrophobicContact CE2-CB 3.96Å; F88-K131 HydrophobicContact CE2-CD 4.08Å; F88-K131 HydrophobicContact CE2-CG 3.96Å; F88-K131 HydrophobicContact CZ-CB 3.73Å; F88-K131 HydrophobicContact CZ-CG 4.18Å; L91-K131 HydrophobicContact CD1-CB 4.29Å; E129-K131 PolarHBondContact O-N 2.85Å; E129-K131 VanDerWaalsContact O-N 3.08Å; E129-K131 IonicContact OE2-NZ 3.63Å; E129-K131 PolarHBondContact OE2-NZ 3.08Å; K131-A135 WeakPolarHBondContact O-CB 2.9Å; K131-A135 PolarHBondContact O-N 2.77Å
132I89.6Confident85.8Confident1 Ų165.2 Ų65.21%0.00531%0.308CS..Hα-helixtrans-72-41.7178-53.9179.5000109.9A86 L91 W122 T123 L126 E129 P130 A135 Y136A86-I132 HydrophobicContact CB-CD1 3.89Å; A86-I132 HydrophobicContact CB-CG1 4.08Å; L91-I132 HydrophobicContact CD1-CG1 4.09Å; L91-I132 HydrophobicContact CD2-CG1 4.3Å; W122-I132 HydrophobicContact CB-CD1 4.34Å; W122-I132 HydrophobicContact CB-CG2 3.84Å; W122-I132 HydrophobicContact CE3-CD1 4.44Å; T123-I132 HydrophobicContact CG2-CG2 3.98Å; L126-I132 HydrophobicContact CB-CD1 3.97Å; L126-I132 HydrophobicContact CD1-CD1 3.52Å; L126-I132 HydrophobicContact CG-CD1 4.36Å; E129-I132 HydrophobicContact CB-CD1 4.09Å; E129-I132 HydrophobicContact CB-CG1 4.29Å; E129-I132 PolarHBondContact O-N 2.67Å; P130-I132 PolarHBondContact O-N 3.33Å; I132-A135 PolarHBondContact O-N 3.02Å; I132-Y136 WeakPolarHBondContact O-CB 3.47Å; I132-Y136 PolarHBondContact O-N 3.01Å
133Q88.2Confident85.4Confident68 Ų6867 Ų6732%0.31833%0.327SS..Hα-helixtrans-66.3-40.8175.4-58.8-179.76.800111.4T123 P130 Y136 N137T123-Q133 HydrophobicContact CG2-CG 4.29Å; P130-Q133 CarbonylContact O-C 3.56Å; P130-Q133 WeakPolarHBondContact O-CA 3.44Å; P130-Q133 WeakPolarHBondContact O-CB 3.23Å; P130-Q133 PolarHBondContact O-N 3.5Å; Q133-Y136 PolarHBondContact O-N 2.89Å; Q133-N137 WeakPolarHBondContact O-CB 3.45Å; Q133-N137 VanDerWaalsContact O-CG 3.26Å; Q133-N137 PolarHBondContact O-N 3.03Å; Q133-N137 PolarHBondContact O-ND2 3.44Å
134E90.8Very high85.2Confident112 Ų11268.4 Ų68.452%0.52333%0.333SS..Hα-helixtrans-60.4-48.2173.8-73.8171.7-154.700111.8F88 P130 Y136 N137 M138F88-E134 HydrophobicContact CZ-CB 4.42Å; P130-E134 WeakPolarHBondContact O-CG 3.42Å; P130-E134 PolarHBondContact O-N 3.16Å; E134-Y136 PolarHBondContact O-N 3.04Å; E134-N137 PolarHBondContact O-N 3.05Å; E134-M138 WeakPolarHBondContact O-CB 3.35Å; E134-M138 PolarHBondContact O-N 3.41Å
135A90.6Very high85Confident3 Ų364.8 Ų64.83%0.02532%0.315CS..Hα-helixtrans-58.1-47.6176.100000112.4F88 L91 I95 K131 I132 M138 L139F88-A135 HydrophobicContact CE1-CB 4.49Å; L91-A135 HydrophobicContact CD1-CB 4.23Å; I95-A135 HydrophobicContact CD1-CB 4.05Å; K131-A135 WeakPolarHBondContact O-CB 2.9Å; K131-A135 PolarHBondContact O-N 2.77Å; I132-A135 PolarHBondContact O-N 3.02Å; A135-M138 WeakPolarHBondContact O-CB 3.04Å; A135-M138 PolarHBondContact O-N 3.4Å; A135-L139 WeakPolarHBondContact O-CG 3.19Å; A135-L139 PolarHBondContact O-N 3.34Å; A135-L139 VanDerWaalsContact O-N 3.1Å
136Y88.9Confident84.7Confident9 Ų970.6 Ų70.64%0.03534%0.342CS..Hα-helixtrans-67.5-43.1179.5-167.4-107.4000112.4T116 L119 Y120 T123 I132 Q133 E134 M138 L139 K140 V145 D148 P149T116-Y136 HydrophobicContact CG2-CE2 4.3Å; L119-Y136 HydrophobicContact CB-CD2 4.15Å; Y120-Y136 HydrophobicContact CD2-CD1 4.38Å; Y120-Y136 AromaticContact CD2-CE1 3.54Å; Y120-Y136 HydrophobicContact CD2-CE1 3.54Å; Y120-Y136 HydrophobicContact CD2-CE2 4.41Å; Y120-Y136 AromaticContact CD2-CZ 3.57Å; Y120-Y136 WeakPolarHBondContact CD2-OH 3.33Å; Y120-Y136 HydrophobicContact CE2-CE1 4.22Å; Y120-Y136 HydrophobicContact CG-CE1 4.38Å; Y120-Y136 AromaticContact CG-CZ 3.96Å; T123-Y136 HydrophobicContact CG2-CD1 4.17Å; T123-Y136 HydrophobicContact CG2-CG 3.95Å; I132-Y136 WeakPolarHBondContact O-CB 3.47Å; I132-Y136 PolarHBondContact O-N 3.01Å; Q133-Y136 PolarHBondContact O-N 2.89Å; E134-Y136 PolarHBondContact O-N 3.04Å; Y136-M138 VanDerWaalsContact C-N 3.29Å; Y136-M138 PolarHBondContact O-N 2.99Å; Y136-L139 PolarHBondContact O-N 2.85Å; Y136-K140 HydrophobicContact CD1-CD 3.94Å; Y136-K140 HydrophobicContact CE1-CD 3.55Å; Y136-K140 HydrophobicContact CE1-CG 4.28Å; Y136-K140 PolarHBondContact O-N 3.47Å; Y136-V145 HydrophobicContact CE2-CG1 4.35Å; Y136-V145 HydrophobicContact CE2-CG2 4.48Å; Y136-D148 WeakPolarHBondContact CE1-OD1 3.33Å; Y136-D148 PolarHBondContact OH-OD1 2.8Å; Y136-P149 WeakPolarHBondContact OH-CD 3.4Å
137N89Confident84.1Confident80 Ų8075.1 Ų75.143%0.42837%0.37SS..Hα-helixtrans-65-31.9175.5-76.6-48.6000112.4Q133 E134 K141Q133-N137 WeakPolarHBondContact O-CB 3.45Å; Q133-N137 VanDerWaalsContact O-CG 3.26Å; Q133-N137 PolarHBondContact O-N 3.03Å; Q133-N137 PolarHBondContact O-ND2 3.44Å; E134-N137 PolarHBondContact O-N 3.05Å; N137-K141 WeakPolarHBondContact O-CB 3.28Å; N137-K141 VanDerWaalsContact O-CG 3.25Å; N137-K141 WeakPolarHBondContact O-CG 3.29Å; N137-K141 PolarHBondContact O-N 3.28Å
138M90.2Very high84.1Confident70 Ų7071 Ų7135%0.34536%0.356SS..Hα-helixtrans-63.9-47.1170.7179.5-175.666.900111.3I95 E134 A135 Y136 K140 K141 Q142I95-M138 HydrophobicContact CD1-CE 3.81Å; I95-M138 HydrophobicContact CG1-CE 4.43Å; I95-M138 HydrophobicContact CG2-CE 4.15Å; E134-M138 WeakPolarHBondContact O-CB 3.35Å; E134-M138 PolarHBondContact O-N 3.41Å; A135-M138 WeakPolarHBondContact O-CB 3.04Å; A135-M138 PolarHBondContact O-N 3.4Å; Y136-M138 VanDerWaalsContact C-N 3.29Å; Y136-M138 PolarHBondContact O-N 2.99Å; M138-K140 VanDerWaalsContact C-N 3.32Å; M138-K140 PolarHBondContact O-N 3.39Å; M138-K141 PolarHBondContact O-N 2.54Å; M138-Q142 WeakPolarHBondContact O-CG 3.24Å; M138-Q142 PolarHBondContact O-N 3.39Å
139L88.1Confident84Confident0 Ų064.6 Ų64.60%033%0.328CS..Hα-helixtrans-61.1-38.6178.3-70.7164.6000112.3I95 L98 L119 A135 Y136 G143 I144 V145I95-L139 HydrophobicContact CG1-CD1 4.25Å; I95-L139 HydrophobicContact CG1-CD2 4.45Å; I95-L139 HydrophobicContact CG2-CD2 4.29Å; L98-L139 HydrophobicContact CB-CD2 4.19Å; L98-L139 HydrophobicContact CD1-CD1 3.71Å; L98-L139 HydrophobicContact CD1-CD2 4.28Å; L119-L139 HydrophobicContact CD1-CD1 3.99Å; A135-L139 WeakPolarHBondContact O-CG 3.19Å; A135-L139 PolarHBondContact O-N 3.34Å; A135-L139 VanDerWaalsContact O-N 3.1Å; Y136-L139 PolarHBondContact O-N 2.85Å; L139-G143 PolarHBondContact O-N 2.8Å; L139-I144 HydrophobicContact CD2-CB 4.31Å; L139-I144 HydrophobicContact CD2-CD1 3.9Å; L139-I144 HydrophobicContact CD2-CG2 4.12Å; L139-I144 PolarHBondContact O-N 3.28Å; L139-I144 VanDerWaalsContact O-N 3.09Å; L139-V145 HydrophobicContact CB-CG2 3.98Å; L139-V145 PolarHBondContact O-N 2.94Å
140K87.4Confident82.7Confident74 Ų7472.9 Ų72.932%0.32236%0.363SS..Hα-helixtrans-66.6-47.1172.3-70.3-179.470.2168.60112.2Y136 M138 Q142 G143 V145 D148Y136-K140 HydrophobicContact CD1-CD 3.94Å; Y136-K140 HydrophobicContact CE1-CD 3.55Å; Y136-K140 HydrophobicContact CE1-CG 4.28Å; Y136-K140 PolarHBondContact O-N 3.47Å; M138-K140 VanDerWaalsContact C-N 3.32Å; M138-K140 PolarHBondContact O-N 3.39Å; K140-Q142 PolarHBondContact O-N 2.88Å; K140-G143 PolarHBondContact O-N 3.33Å; K140-V145 HydrophobicContact CG-CB 3.9Å; K140-V145 HydrophobicContact CG-CG1 3.93Å; K140-D148 WeakPolarHBondContact CE-OD1 3.36Å; K140-D148 IonicContact NZ-OD1 2.72Å; K140-D148 PolarHBondContact NZ-OD1 3.12Å; K140-D148 IonicContact NZ-OD2 2.7Å; K140-D148 PolarHBondContact NZ-OD2 3.48Å
141K87.8Confident81.4Confident184 Ų18472.6 Ų72.680%0.836%0.358SS*.Hα-helixtrans-60.1-30.3176.5-76.8173.9-178.2179.20113.2N137 M138 G143N137-K141 WeakPolarHBondContact O-CB 3.28Å; N137-K141 VanDerWaalsContact O-CG 3.25Å; N137-K141 WeakPolarHBondContact O-CG 3.29Å; N137-K141 PolarHBondContact O-N 3.28Å; M138-K141 PolarHBondContact O-N 2.54Å; K141-G143 VanDerWaalsContact C-N 3.3Å
142Q85.6Confident79.5Confident109 Ų10971.7 Ų71.751%0.50936%0.359SS..THydrogen-bonded Turntrans-83.4-0.2175.7-68.5-178.818.600113.7M138 K140 I144M138-Q142 WeakPolarHBondContact O-CG 3.24Å; M138-Q142 PolarHBondContact O-N 3.39Å; K140-Q142 PolarHBondContact O-N 2.88Å; Q142-I144 HydrophobicContact CB-CD1 3.89Å; Q142-I144 HydrophobicContact CB-CG1 4.07Å; Q142-I144 PolarHBondContact O-N 3.18Å
143G80.3Confident77.4Confident40 Ų4079.7 Ų79.741%0.41240%0.402SS..THydrogen-bonded Turntrans69.212.9-17900000114.6L139 K140 K141 K146L139-G143 PolarHBondContact O-N 2.8Å; K140-G143 PolarHBondContact O-N 3.33Å; K141-G143 VanDerWaalsContact C-N 3.3Å; G143-K146 WeakPolarHBondContact O-CG 3.48Å
144I81Confident75.3Confident45 Ų4581.9 Ų81.923%0.23142%0.42CS..SBendtrans-73.6-46.7176.9-63.3166.7000108.8L98 T99 L139 Q142L98-I144 HydrophobicContact CB-CG2 3.85Å; L98-I144 WeakPolarHBondContact O-CG2 3.36Å; T99-I144 HydrophobicContact CG2-CD1 4.35Å; L139-I144 HydrophobicContact CD2-CB 4.31Å; L139-I144 HydrophobicContact CD2-CD1 3.9Å; L139-I144 HydrophobicContact CD2-CG2 4.12Å; L139-I144 PolarHBondContact O-N 3.28Å; L139-I144 VanDerWaalsContact O-N 3.09Å; Q142-I144 HydrophobicContact CB-CD1 3.89Å; Q142-I144 HydrophobicContact CB-CG1 4.07Å; Q142-I144 PolarHBondContact O-N 3.18Å
145V78.6Confident73.2Confident9 Ų978.1 Ų78.16%0.05540%0.404CS..SBendtrans-98106.2169.9178.10000108.1T116 Y136 L139 K140T116-V145 HydrophobicContact CG2-CB 4.45Å; T116-V145 HydrophobicContact CG2-CG1 3.9Å; T116-V145 HydrophobicContact CG2-CG2 3.68Å; Y136-V145 HydrophobicContact CE2-CG1 4.35Å; Y136-V145 HydrophobicContact CE2-CG2 4.48Å; L139-V145 HydrophobicContact CB-CG2 3.98Å; L139-V145 PolarHBondContact O-N 2.94Å; K140-V145 HydrophobicContact CG-CB 3.9Å; K140-V145 HydrophobicContact CG-CG1 3.93Å
146K68.3Low71.1Confident188 Ų18883.9 Ų83.982%0.81743%0.433SS*.  trans-86.7-29.4-173.5-63.3-177.3-178.31770114G143G143-K146 WeakPolarHBondContact O-CG 3.48Å
147T67.9Low69.1Low114 Ų11485.5 Ų85.570%0.69944%0.441SS*.SBendtrans-145142.3179.7-460000107.4
148D75.5Confident66.8Low61 Ų6184.9 Ų84.933%0.32645%0.447SS..  trans-66132.3173.2-58.6-66000109.8Y120 Y136 K140Y120-D148 HydrophobicContact CE1-CB 4.42Å; Y120-D148 HydrophobicContact CE2-CB 4.31Å; Y136-D148 WeakPolarHBondContact CE1-OD1 3.33Å; Y136-D148 PolarHBondContact OH-OD1 2.8Å; K140-D148 WeakPolarHBondContact CE-OD1 3.36Å; K140-D148 IonicContact NZ-OD1 2.72Å; K140-D148 PolarHBondContact NZ-OD1 3.12Å; K140-D148 IonicContact NZ-OD2 2.7Å; K140-D148 PolarHBondContact NZ-OD2 3.48Å
149P73.8Confident64.3Low28 Ų2886.3 Ų86.318%0.18246%0.461CS..  trans-72144.6-175.929.2-33.8000111.2T116 E117 Y120 Y136 L151T116-P149 HydrophobicContact CG2-CG 4.29Å; E117-P149 HydrophobicContact CG-CB 4.05Å; E117-P149 HydrophobicContact CG-CG 4.29Å; Y120-P149 HydrophobicContact CD1-CG 3.81Å; Y120-P149 HydrophobicContact CG-CG 4.15Å; Y136-P149 WeakPolarHBondContact OH-CD 3.4Å; P149-L151 PolarHBondContact O-N 3.34Å; P149-L151 VanDerWaalsContact O-N 3.09Å
150K58.2Low61.9Low201 Ų20190 Ų9087%0.87449%0.485SS*.  trans-73.799.5168.2-69.8-174.4177.9-175.80108.5P152K150-P152 WeakPolarHBondContact O-CD 3.2Å
151L58.3Low59.4Low60 Ų6092.4 Ų92.431%0.31451%0.509SS..  trans-54.4122.5174.9-63.6168.3000109.7Y120 L124 P149 L155Y120-L151 HydrophobicContact CD1-CD1 3.84Å; Y120-L151 HydrophobicContact CD1-CD2 3.84Å; Y120-L151 HydrophobicContact CD1-CG 3.76Å; Y120-L151 HydrophobicContact CE1-CD1 3.82Å; Y120-L151 HydrophobicContact CE1-CG 3.98Å; L124-L151 HydrophobicContact CD1-CD1 3.58Å; P149-L151 PolarHBondContact O-N 3.34Å; P149-L151 VanDerWaalsContact O-N 3.09Å; L151-L155 HydrophobicContact CB-CD1 4.15Å; L151-L155 HydrophobicContact CD2-CD1 3.46Å; L151-L155 VanDerWaalsContact CD2-CD1 3.46Å; L151-L155 HydrophobicContact CG-CD1 4.41Å
152P51.6Low57Low49 Ų4990.4 Ų90.432%0.31850%0.502SS..  trans-66.9145.9172.4-21.834.3000111.4K150 T154 L155K150-P152 WeakPolarHBondContact O-CD 3.2Å; P152-T154 PolarHBondContact O-N 3.5Å; P152-L155 WeakPolarHBondContact O-CB 3.2Å; P152-L155 PolarHBondContact O-N 3.02Å
153D45.1Very low54.8Low170 Ų17097 Ų9791%0.90952%0.523SS*.THydrogen-bonded Turntrans-60.8-16.1174-57.1-60.9000113.1L155D153-L155 VanDerWaalsContact C-N 3.35Å
154T44.4Very low52.7Low114 Ų11499 Ų9970%0.69953%0.526SS*.THydrogen-bonded Turntrans-83.2-2173.449.90000114.3P152 I156P152-T154 PolarHBondContact O-N 3.5Å; T154-I156 PolarHBondContact O-N 3.47Å
155L46.9Very low50.7Low33 Ų33102.4 Ų102.417%0.17355%0.55CS..  trans-72.480.5158.2-78.9171.7000108.4R114 E117 L151 P152 D153 M157R114-L155 VanDerWaalsContact NH2-CD2 3.33Å; E117-L155 HydrophobicContact CB-CD1 4.42Å; L151-L155 HydrophobicContact CB-CD1 4.15Å; L151-L155 HydrophobicContact CD2-CD1 3.46Å; L151-L155 VanDerWaalsContact CD2-CD1 3.46Å; L151-L155 HydrophobicContact CG-CD1 4.41Å; P152-L155 WeakPolarHBondContact O-CB 3.2Å; P152-L155 PolarHBondContact O-N 3.02Å; D153-L155 VanDerWaalsContact C-N 3.35Å; L155-M157 PolarHBondContact O-N 2.89Å
156I45.8Very low49.1Very low124 Ų124108.9 Ų108.964%0.63658%0.58SS**  trans-73.567.7177.4-51.6175.5000109.2N75 T154 A158N75-I156 PolarHBondContact ND2-O 2.95Å; T154-I156 PolarHBondContact O-N 3.47Å; I156-A158 VanDerWaalsContact C-N 3.29Å; I156-A158 HydrophobicContact CG2-CB 4.5Å
157M47.4Very low47.8Very low42 Ų42103.1 Ų103.121%0.20756%0.563CS.*  trans-94.471.1151.4-64.2-169.975.500106.2W125 L155 P159W125-M157 HydrophobicContact CB-CE 4.11Å; W125-M157 HydrophobicContact CD2-CE 3.39Å; W125-M157 HydrophobicContact CE3-CE 3.34Å; W125-M157 HydrophobicContact CG-CE 3.74Å; W125-M157 HydrophobicContact CH2-CE 4.36Å; W125-M157 HydrophobicContact CZ2-CE 4.4Å; W125-M157 HydrophobicContact CZ3-CE 3.87Å; L155-M157 PolarHBondContact O-N 2.89Å; M157-P159 VanDerWaalsContact O-N 3.17Å
158A40.9Very low46.7Very low68 Ų68104.4 Ų104.456%0.56257%0.57SS**PPolyproline II helixtrans-52.4125.8174.500000107.8I156 P160I156-A158 VanDerWaalsContact C-N 3.29Å; I156-A158 HydrophobicContact CG2-CB 4.5Å; A158-P160 WeakPolarHBondContact O-CD 3.49Å; A158-P160 VanDerWaalsContact O-N 3.14Å
159P37.7Very low45.1Very low99 Ų99108.7 Ų108.764%0.64359%0.586SS**PPolyproline II helixtrans-59.6125.5179.923.9-32.2000107.3M157M157-P159 VanDerWaalsContact O-N 3.17Å
160P36.6Very low44.4Very low78 Ų78111.9 Ų111.951%0.50660%0.602SS.*PPolyproline II helixtrans-54.5129.7165.525.1-32.4000105.8W125 A158 Q162W125-P160 VanDerWaalsContact NE1-CD 3.31Å; A158-P160 WeakPolarHBondContact O-CD 3.49Å; A158-P160 VanDerWaalsContact O-N 3.14Å; P160-Q162 PolarHBondContact O-N 3.02Å
161P36.5Very low44.7Very low125 Ų125105.8 Ų105.881%0.81258%0.576SS**PPolyproline II helixtrans-53.3117.1-175.920.9-32.2000107.2R163P161-R163 PolarHBondContact O-N 2.98Å
162Q35.9Very low45.6Very low142 Ų142108 Ų10866%0.66459%0.585SS**PPolyproline II helixtrans-58.8133.2-169.9-71.8-179.45.600107.4P160 T164P160-Q162 PolarHBondContact O-N 3.02Å; Q162-T164 HydrophobicContact CB-CG2 4.16Å; Q162-T164 PolarHBondContact O-N 2.74Å; Q162-T164 PolarHBondContact O-OG1 2.72Å
163R39.4Very low46.8Very low248 Ų248110 Ų11094%0.93659%0.593SS**  trans-7370.3162.4-70.1-174.9-178.7176.9-1.1107.6P161 T165P161-R163 PolarHBondContact O-N 2.98Å; R163-T165 VanDerWaalsContact C-N 3.31Å; R163-T165 PolarHBondContact O-N 3.48Å
164T36.5Very low48.5Very low80 Ų80104.5 Ų104.549%0.49156%0.561SS.*  trans-62.3100.6160.1400000106.5Q162Q162-T164 HydrophobicContact CB-CG2 4.16Å; Q162-T164 PolarHBondContact O-N 2.74Å; Q162-T164 PolarHBondContact O-OG1 2.72Å
165T40.5Very low50.3Low118 Ų118101.4 Ų101.472%0.72455%0.547SS*.  trans-28.3134.1150.649.20000110.5R163 S167R163-T165 VanDerWaalsContact C-N 3.31Å; R163-T165 PolarHBondContact O-N 3.48Å; T165-S167 PolarHBondContact O-N 3.01Å
166E43.8Very low52.2Low145 Ų145104.8 Ų104.868%0.67856%0.56SS**  trans-38.2104.7-165.6-77.876.6179.800112.6D271E166-D271 HydrophobicContact CG-CB 4.43Å
167S40.8Very low54.1Low67 Ų67103.3 Ų103.347%0.46955%0.553SS.*  trans-112.5125.7175-1610000109.6T165 F169 D170T165-S167 PolarHBondContact O-N 3.01Å; S167-F169 PolarHBondContact O-N 3.45Å; S167-D170 PolarHBondContact O-N 2.83Å
168V45.5Very low56Low140 Ų140102.8 Ų102.885%0.84855%0.551SS**THydrogen-bonded Turntrans-62.4-4.4-169.6-178.90000113.7
169F41.3Very low58.2Low151 Ų151101.7 Ų101.766%0.66254%0.542SS*.THydrogen-bonded Turntrans-80.6-23.7-178-83-91.1000115.7S167 Q171 E172 D173S167-F169 PolarHBondContact O-N 3.45Å; F169-Q171 PolarHBondContact O-N 3.19Å; F169-Q171 VanDerWaalsContact O-N 3.15Å; F169-E172 PolarHBondContact O-N 3.21Å; F169-E172 VanDerWaalsContact O-N 3.13Å; F169-D173 PolarHBondContact O-N 3.38Å
170D58.4Low60.7Low95 Ų95106.3 Ų106.351%0.50855%0.547SS..Hα-helixtrans-58.1-34.4-175.2-89-6.6000113.1S167 E172 D173 K174S167-D170 PolarHBondContact O-N 2.83Å; D170-E172 VanDerWaalsContact C-N 3.34Å; D170-E172 PolarHBondContact O-N 3.2Å; D170-D173 PolarHBondContact O-N 3.11Å; D170-K174 VanDerWaalsContact O-CB 3.32Å; D170-K174 WeakPolarHBondContact O-CB 3.47Å; D170-K174 WeakPolarHBondContact O-CG 3.29Å; D170-K174 PolarHBondContact O-N 2.75Å
171Q66.2Low63.1Low74 Ų74103.5 Ų103.535%0.34653%0.527SS..Hα-helixtrans-68.9-32.8-178-163.569.6-6.700112.7F169 A175F169-Q171 PolarHBondContact O-N 3.19Å; F169-Q171 VanDerWaalsContact O-N 3.15Å; Q171-A175 VanDerWaalsContact O-CB 3.27Å; Q171-A175 WeakPolarHBondContact O-CB 3.49Å; Q171-A175 PolarHBondContact O-N 2.73Å
172E75.9Confident65.5Low105 Ų105101.8 Ų101.849%0.49151%0.511SS..Hα-helixtrans-73.1-38.1179174.156.4-154.600111.1F169 D170 A175 K176F169-E172 PolarHBondContact O-N 3.21Å; F169-E172 VanDerWaalsContact O-N 3.13Å; D170-E172 VanDerWaalsContact C-N 3.34Å; D170-E172 PolarHBondContact O-N 3.2Å; E172-A175 PolarHBondContact O-N 3.31Å; E172-K176 WeakPolarHBondContact O-CG 3.33Å; E172-K176 PolarHBondContact O-N 2.71Å; E172-K176 WeakPolarHBondContact OE1-CE 3.45Å; E172-K176 IonicContact OE1-NZ 2.69Å
173D78.1Confident68.1Low91 Ų91103.8 Ų103.849%0.48752%0.517SS..Hα-helixtrans-78.6-33.3174.7-75.3-22.3000112.9F169 D170 A175 K176 L177F169-D173 PolarHBondContact O-N 3.38Å; D170-D173 PolarHBondContact O-N 3.11Å; D173-A175 VanDerWaalsContact C-N 3.28Å; D173-A175 PolarHBondContact O-N 2.71Å; D173-K176 PolarHBondContact O-N 3.18Å; D173-K176 WeakPolarHBondContact OD1-CD 3.36Å; D173-K176 WeakPolarHBondContact OD1-CE 3.26Å; D173-K176 IonicContact OD1-NZ 3.72Å; D173-K176 PolarHBondContact OD1-NZ 2.7Å; D173-L177 WeakPolarHBondContact O-CB 3.25Å; D173-L177 PolarHBondContact O-N 2.69Å
174K80.9Confident70.3Confident55 Ų5593.8 Ų93.824%0.23949%0.485CS..Hα-helixtrans-55-44.3163.7-75.5169.7-170.8174.40110.6D170 L177 L178 T200 E203D170-K174 VanDerWaalsContact O-CB 3.32Å; D170-K174 WeakPolarHBondContact O-CB 3.47Å; D170-K174 WeakPolarHBondContact O-CG 3.29Å; D170-K174 PolarHBondContact O-N 2.75Å; K174-L177 PolarHBondContact O-N 2.88Å; K174-L178 WeakPolarHBondContact O-CB 3.31Å; K174-L178 PolarHBondContact O-N 2.76Å; K174-T200 HydrophobicContact CD-CG2 4.27Å; K174-E203 VanDerWaalsContact NZ-CD 3.31Å; K174-E203 IonicContact NZ-OE1 2.76Å; K174-E203 PolarHBondContact NZ-OE1 2.76Å; K174-E203 VanDerWaalsContact NZ-OE1 3.1Å; K174-E203 IonicContact NZ-OE2 3.94Å; K174-E203 PolarHBondContact NZ-OE2 3.09Å
175A81.2Confident72.5Confident49 Ų4994.1 Ų94.141%0.40551%0.505SS..Hα-helixtrans-67.3-42.9179.300000112.8Q171 E172 D173 L177 L178 A179Q171-A175 VanDerWaalsContact O-CB 3.27Å; Q171-A175 WeakPolarHBondContact O-CB 3.49Å; Q171-A175 PolarHBondContact O-N 2.73Å; E172-A175 PolarHBondContact O-N 3.31Å; D173-A175 VanDerWaalsContact C-N 3.28Å; D173-A175 PolarHBondContact O-N 2.71Å; A175-L177 PolarHBondContact O-N 2.79Å; A175-L178 PolarHBondContact O-N 2.75Å; A175-A179 VanDerWaalsContact O-CB 3.3Å; A175-A179 WeakPolarHBondContact O-CB 3.3Å; A175-A179 PolarHBondContact O-N 2.87Å
176K87.6Confident74.8Confident105 Ų10595.2 Ų95.246%0.45750%0.495SS..Hα-helixtrans-61.2-42.4173-70.8169-148.9156.50112.2E172 D173 A179 R180E172-K176 WeakPolarHBondContact O-CG 3.33Å; E172-K176 PolarHBondContact O-N 2.71Å; E172-K176 WeakPolarHBondContact OE1-CE 3.45Å; E172-K176 IonicContact OE1-NZ 2.69Å; D173-K176 PolarHBondContact O-N 3.18Å; D173-K176 WeakPolarHBondContact OD1-CD 3.36Å; D173-K176 WeakPolarHBondContact OD1-CE 3.26Å; D173-K176 IonicContact OD1-NZ 3.72Å; D173-K176 PolarHBondContact OD1-NZ 2.7Å; K176-A179 PolarHBondContact O-N 2.8Å; K176-R180 WeakPolarHBondContact O-CB 3.49Å; K176-R180 PolarHBondContact O-N 3.04Å
177L85.6Confident76.6Confident92 Ų9293.2 Ų93.248%0.48250%0.495SS..Hα-helixtrans-63.1-47.5176.1177.959.2000110.9D173 K174 A175 A179 R180 L181 L196D173-L177 WeakPolarHBondContact O-CB 3.25Å; D173-L177 PolarHBondContact O-N 2.69Å; K174-L177 PolarHBondContact O-N 2.88Å; A175-L177 PolarHBondContact O-N 2.79Å; L177-A179 PolarHBondContact O-N 3.41Å; L177-R180 WeakPolarHBondContact O-CB 3.37Å; L177-R180 PolarHBondContact O-N 2.68Å; L177-R180 VanDerWaalsContact O-N 3.09Å; L177-L181 HydrophobicContact CD1-CD1 4.21Å; L177-L181 HydrophobicContact CD1-CG 4.22Å; L177-L181 HydrophobicContact CG-CD1 4.02Å; L177-L181 HydrophobicContact CG-CG 4.48Å; L177-L181 WeakPolarHBondContact O-CG 3.41Å; L177-L181 PolarHBondContact O-N 3.02Å; L177-L196 HydrophobicContact CD2-CD2 4.48Å; L177-L196 HydrophobicContact CG-CD2 4.44Å
178L86.6Confident78.7Confident32 Ų3295.3 Ų95.317%0.16850%0.497CS..Hα-helixtrans-58.7-46.2176179.958.6000111.8K174 A175 R180 L181 L182 A193 L196 I197K174-L178 WeakPolarHBondContact O-CB 3.31Å; K174-L178 PolarHBondContact O-N 2.76Å; A175-L178 PolarHBondContact O-N 2.75Å; L178-R180 PolarHBondContact O-N 2.73Å; L178-L181 PolarHBondContact O-N 3.09Å; L178-L182 HydrophobicContact CD1-CD1 3.88Å; L178-L182 HydrophobicContact CD1-CG 3.95Å; L178-L182 HydrophobicContact CG-CD1 3.87Å; L178-L182 HydrophobicContact CG-CG 4.36Å; L178-L182 WeakPolarHBondContact O-CB 3.11Å; L178-L182 WeakPolarHBondContact O-CG 3.38Å; L178-L182 PolarHBondContact O-N 3.05Å; L178-A193 HydrophobicContact CD1-CB 3.71Å; L178-L196 HydrophobicContact CB-CD2 3.86Å; L178-L196 HydrophobicContact CD1-CD2 4.3Å; L178-I197 HydrophobicContact CD1-CD1 3.98Å; L178-I197 HydrophobicContact CD1-CG1 3.68Å; L178-I197 HydrophobicContact CD2-CG1 3.72Å; L178-I197 HydrophobicContact CG-CG1 4.34Å
179A87.9Confident80.8Confident44 Ų4490.7 Ų90.736%0.36447%0.468SS..Hα-helixtrans-64.8-23.6176.900000113.3A175 K176 L177 K183A175-A179 VanDerWaalsContact O-CB 3.3Å; A175-A179 WeakPolarHBondContact O-CB 3.3Å; A175-A179 PolarHBondContact O-N 2.87Å; K176-A179 PolarHBondContact O-N 2.8Å; L177-A179 PolarHBondContact O-N 3.41Å; A179-K183 WeakPolarHBondContact O-CB 3.46Å; A179-K183 VanDerWaalsContact O-CD 3.26Å; A179-K183 WeakPolarHBondContact O-CD 3.45Å; A179-K183 WeakPolarHBondContact O-CG 3.22Å
180R89.1Confident83Confident197 Ų19787.6 Ų87.674%0.74346%0.458SS*.Hα-helixtrans-79.9-43171.8-176.5175.2179.1159.1-0.4111.9K176 L177 L178 K183 S184K176-R180 WeakPolarHBondContact O-CB 3.49Å; K176-R180 PolarHBondContact O-N 3.04Å; L177-R180 WeakPolarHBondContact O-CB 3.37Å; L177-R180 PolarHBondContact O-N 2.68Å; L177-R180 VanDerWaalsContact O-N 3.09Å; L178-R180 PolarHBondContact O-N 2.73Å; R180-K183 PolarHBondContact O-N 2.99Å; R180-S184 PolarHBondContact O-N 2.98Å
181L88.3Confident84.3Confident19 Ų1988.5 Ų88.510%0.09946%0.459CS..Hα-helixtrans-64.4-45177.6-68.1167.6000111.5L177 L178 K183 S184 D189 T192 A193 L196L177-L181 HydrophobicContact CD1-CD1 4.21Å; L177-L181 HydrophobicContact CD1-CG 4.22Å; L177-L181 HydrophobicContact CG-CD1 4.02Å; L177-L181 HydrophobicContact CG-CG 4.48Å; L177-L181 WeakPolarHBondContact O-CG 3.41Å; L177-L181 PolarHBondContact O-N 3.02Å; L178-L181 PolarHBondContact O-N 3.09Å; L181-K183 PolarHBondContact O-N 3.47Å; L181-S184 WeakPolarHBondContact O-CB 3.35Å; L181-S184 PolarHBondContact O-N 3.2Å; L181-D189 HydrophobicContact CD2-CB 3.85Å; L181-T192 HydrophobicContact CD1-CG2 3.88Å; L181-T192 HydrophobicContact CD2-CG2 4.37Å; L181-A193 HydrophobicContact CB-CB 3.88Å; L181-L196 HydrophobicContact CD1-CD2 4.31Å
182L86.6Confident85.3Confident89 Ų8987.2 Ų87.247%0.46646%0.456SS..THydrogen-bonded Turntrans-66.3-17.3175.6-69174000114L178 L190 A193 I197L178-L182 HydrophobicContact CD1-CD1 3.88Å; L178-L182 HydrophobicContact CD1-CG 3.95Å; L178-L182 HydrophobicContact CG-CD1 3.87Å; L178-L182 HydrophobicContact CG-CG 4.36Å; L178-L182 WeakPolarHBondContact O-CB 3.11Å; L178-L182 WeakPolarHBondContact O-CG 3.38Å; L178-L182 PolarHBondContact O-N 3.05Å; L182-L190 HydrophobicContact CD2-CD1 4.46Å; L182-A193 HydrophobicContact CD2-CB 3.7Å; L182-A193 HydrophobicContact CG-CB 4Å; L182-I197 HydrophobicContact CD2-CD1 4.49Å
183K89Confident86Confident184 Ų18482.2 Ų82.280%0.843%0.433SS*.THydrogen-bonded Turntrans-91.6-5.3171.9-75175.3-172.9174.70113.2A179 R180 L181A179-K183 WeakPolarHBondContact O-CB 3.46Å; A179-K183 VanDerWaalsContact O-CD 3.26Å; A179-K183 WeakPolarHBondContact O-CD 3.45Å; A179-K183 WeakPolarHBondContact O-CG 3.22Å; R180-K183 PolarHBondContact O-N 2.99Å; L181-K183 PolarHBondContact O-N 3.47Å
184S87.1Confident86.4Confident38 Ų3882.1 Ų82.127%0.26643%0.433SS..  trans-85.4137175.3-171.90000110.9R180 L181 R186 D189R180-S184 PolarHBondContact O-N 2.98Å; L181-S184 WeakPolarHBondContact O-CB 3.35Å; L181-S184 PolarHBondContact O-N 3.2Å; S184-R186 PolarHBondContact O-N 2.82Å; S184-R186 PolarHBondContact OG-N 3.03Å; S184-D189 WeakPolarHBondContact CB-OD2 3.42Å; S184-D189 PolarHBondContact OG-OD2 2.67Å
185G83.1Confident86.8Confident87 Ų8785.7 Ų85.790%0.89745%0.445SS*.  trans-79.84.3173.700000114.4
186R87.1Confident87.1Confident141 Ų14185 Ų8553%0.53243%0.434SS..  trans-85.2135.6-178.9-63179.769.2149.2-2.1111.1S184 E188 D189 L190S184-R186 PolarHBondContact O-N 2.82Å; S184-R186 PolarHBondContact OG-N 3.03Å; R186-E188 VanDerWaalsContact C-N 3.26Å; R186-E188 IonicContact CZ-OE2 3Å; R186-E188 IonicContact NE-OE2 2.71Å; R186-E188 PolarHBondContact NE-OE2 2.92Å; R186-E188 IonicContact NH2-OE1 3.7Å; R186-E188 IonicContact NH2-OE2 2.9Å; R186-E188 PolarHBondContact NH2-OE2 3.25Å; R186-E188 PolarHBondContact O-N 2.79Å; R186-D189 HydrophobicContact CB-CB 4.2Å; R186-D189 WeakPolarHBondContact CD-OD2 3.48Å; R186-D189 PolarHBondContact O-N 2.93Å; R186-L190 PolarHBondContact O-N 3.1Å; R186-L190 VanDerWaalsContact O-N 3.12Å
187P82.9Confident87.1Confident103 Ų10382.5 Ų82.567%0.66943%0.425SS*.Hα-helixtrans-64.4-31.1176.926.6-34000112.6L190 E191P187-L190 PolarHBondContact O-N 2.92Å; P187-E191 PolarHBondContact O-N 2.8Å
188E85.2Confident87.3Confident110 Ų11086 Ų8651%0.51444%0.436SS..Hα-helixtrans-65.8-39.1177.7-57.2152.3125.800112.1R186 T192R186-E188 VanDerWaalsContact C-N 3.26Å; R186-E188 IonicContact CZ-OE2 3Å; R186-E188 IonicContact NE-OE2 2.71Å; R186-E188 PolarHBondContact NE-OE2 2.92Å; R186-E188 IonicContact NH2-OE1 3.7Å; R186-E188 IonicContact NH2-OE2 2.9Å; R186-E188 PolarHBondContact NH2-OE2 3.25Å; R186-E188 PolarHBondContact O-N 2.79Å; E188-T192 WeakPolarHBondContact O-CB 3.38Å; E188-T192 PolarHBondContact O-N 3.17Å; E188-T192 PolarHBondContact O-OG1 2.95Å
189D88.8Confident87.3Confident44 Ų4488 Ų8824%0.23545%0.452CS..Hα-helixtrans-72.1-39.2176.9-68.3-28.2000110.5L181 S184 R186 T192 A193L181-D189 HydrophobicContact CD2-CB 3.85Å; S184-D189 WeakPolarHBondContact CB-OD2 3.42Å; S184-D189 PolarHBondContact OG-OD2 2.67Å; R186-D189 HydrophobicContact CB-CB 4.2Å; R186-D189 WeakPolarHBondContact CD-OD2 3.48Å; R186-D189 PolarHBondContact O-N 2.93Å; D189-T192 CarbonylContact O-C 3.59Å; D189-T192 PolarHBondContact O-N 3.22Å; D189-A193 WeakPolarHBondContact O-CB 3.27Å; D189-A193 PolarHBondContact O-N 2.71Å
190L86.8Confident87.1Confident86 Ų8686.7 Ų86.745%0.4544%0.44SS..Hα-helixtrans-63.9-42.5174.1-169.280000111.9L182 R186 P187 T192 A193 N194L182-L190 HydrophobicContact CD2-CD1 4.46Å; R186-L190 PolarHBondContact O-N 3.1Å; R186-L190 VanDerWaalsContact O-N 3.12Å; P187-L190 PolarHBondContact O-N 2.92Å; L190-T192 VanDerWaalsContact C-N 3.31Å; L190-T192 PolarHBondContact O-N 3.09Å; L190-A193 WeakPolarHBondContact O-CB 3.24Å; L190-A193 PolarHBondContact O-N 2.91Å; L190-N194 PolarHBondContact O-N 3.5Å; L190-N194 PolarHBondContact O-ND2 3.26Å
191E87.4Confident86.8Confident113 Ų11383.1 Ų83.153%0.52843%0.434SS..Hα-helixtrans-63.2-41.6174.2-158.9-152.2118.800110.7P187 A193 N194 R195P187-E191 PolarHBondContact O-N 2.8Å; E191-A193 PolarHBondContact O-N 2.84Å; E191-N194 PolarHBondContact O-N 3.01Å; E191-R195 VanDerWaalsContact CD-NH1 3.35Å; E191-R195 WeakPolarHBondContact O-CG 3.49Å; E191-R195 PolarHBondContact O-N 3.49Å; E191-R195 IonicContact OE1-CZ 2.78Å; E191-R195 IonicContact OE1-NH1 2.73Å; E191-R195 PolarHBondContact OE1-NH1 3.38Å
192T87.2Confident86.6Confident48 Ų4889.3 Ų89.329%0.29446%0.459SS..Hα-helixtrans-64-38.7176.3-580000112.1L181 E188 D189 L190 R195 L196L181-T192 HydrophobicContact CD1-CG2 3.88Å; L181-T192 HydrophobicContact CD2-CG2 4.37Å; E188-T192 WeakPolarHBondContact O-CB 3.38Å; E188-T192 PolarHBondContact O-N 3.17Å; E188-T192 PolarHBondContact O-OG1 2.95Å; D189-T192 CarbonylContact O-C 3.59Å; D189-T192 PolarHBondContact O-N 3.22Å; L190-T192 VanDerWaalsContact C-N 3.31Å; L190-T192 PolarHBondContact O-N 3.09Å; T192-R195 PolarHBondContact O-N 3Å; T192-R195 PolarHBondContact OG1-NH2 2.84Å; T192-L196 WeakPolarHBondContact O-CB 3.49Å; T192-L196 PolarHBondContact O-N 3.22Å
193A88.7Confident86.6Confident0 Ų087.8 Ų87.80%045%0.45CS..Hα-helixtrans-61.2-45.6170.100000111.9L178 L181 L182 D189 L190 E191 R195 L196 I197L178-A193 HydrophobicContact CD1-CB 3.71Å; L181-A193 HydrophobicContact CB-CB 3.88Å; L182-A193 HydrophobicContact CD2-CB 3.7Å; L182-A193 HydrophobicContact CG-CB 4Å; D189-A193 WeakPolarHBondContact O-CB 3.27Å; D189-A193 PolarHBondContact O-N 2.71Å; L190-A193 WeakPolarHBondContact O-CB 3.24Å; L190-A193 PolarHBondContact O-N 2.91Å; E191-A193 PolarHBondContact O-N 2.84Å; A193-R195 PolarHBondContact O-N 2.84Å; A193-L196 PolarHBondContact O-N 3.42Å; A193-I197 VanDerWaalsContact O-CG1 3.29Å; A193-I197 WeakPolarHBondContact O-CG1 3.36Å; A193-I197 PolarHBondContact O-N 3.43Å
194N87.7Confident86.5Confident89 Ų8984.3 Ų84.348%0.47644%0.437SS..Hα-helixtrans-64.5-38.5178.8-73.9-42.9000112.7L190 E191 K198L190-N194 PolarHBondContact O-N 3.5Å; L190-N194 PolarHBondContact O-ND2 3.26Å; E191-N194 PolarHBondContact O-N 3.01Å; N194-K198 WeakPolarHBondContact O-CB 3.42Å; N194-K198 PolarHBondContact O-N 3.33Å; N194-K198 VanDerWaalsContact O-N 3.12Å
195R89.3Confident86.5Confident130 Ų13087.6 Ų87.649%0.49145%0.448SS..Hα-helixtrans-64.4-42.6171.5-65.4-167.7-47.1-85.8-7.9111.3E191 T192 A193 K198 S199E191-R195 VanDerWaalsContact CD-NH1 3.35Å; E191-R195 WeakPolarHBondContact O-CG 3.49Å; E191-R195 PolarHBondContact O-N 3.49Å; E191-R195 IonicContact OE1-CZ 2.78Å; E191-R195 IonicContact OE1-NH1 2.73Å; E191-R195 PolarHBondContact OE1-NH1 3.38Å; T192-R195 PolarHBondContact O-N 3Å; T192-R195 PolarHBondContact OG1-NH2 2.84Å; A193-R195 PolarHBondContact O-N 2.84Å; R195-K198 PolarHBondContact O-N 3.42Å; R195-S199 PolarHBondContact O-N 2.86Å
196L88Confident86.7Confident35 Ų3587.8 Ų87.818%0.18343%0.425CS..Hα-helixtrans-63.7-49.2178.5-177.357.5000111.8L177 L178 L181 T192 A193 K198 S199 T200L177-L196 HydrophobicContact CD2-CD2 4.48Å; L177-L196 HydrophobicContact CG-CD2 4.44Å; L178-L196 HydrophobicContact CB-CD2 3.86Å; L178-L196 HydrophobicContact CD1-CD2 4.3Å; L181-L196 HydrophobicContact CD1-CD2 4.31Å; T192-L196 WeakPolarHBondContact O-CB 3.49Å; T192-L196 PolarHBondContact O-N 3.22Å; A193-L196 PolarHBondContact O-N 3.42Å; L196-K198 VanDerWaalsContact C-N 3.32Å; L196-K198 PolarHBondContact O-N 2.78Å; L196-S199 WeakPolarHBondContact O-CA 3.21Å; L196-S199 WeakPolarHBondContact O-CB 3.49Å; L196-S199 PolarHBondContact O-N 3.04Å; L196-T200 HydrophobicContact CD1-CG2 4.1Å; L196-T200 PolarHBondContact O-N 2.89Å; L196-T200 PolarHBondContact O-OG1 2.36Å
197I87.4Confident86.7Confident52 Ų5286.8 Ų86.827%0.26742%0.422SS..Hα-helixtrans-54.2-48.4174.7-69.6161.1000110.8L178 L182 A193 S199 T200 M201L178-I197 HydrophobicContact CD1-CD1 3.98Å; L178-I197 HydrophobicContact CD1-CG1 3.68Å; L178-I197 HydrophobicContact CD2-CG1 3.72Å; L178-I197 HydrophobicContact CG-CG1 4.34Å; L182-I197 HydrophobicContact CD2-CD1 4.49Å; A193-I197 VanDerWaalsContact O-CG1 3.29Å; A193-I197 WeakPolarHBondContact O-CG1 3.36Å; A193-I197 PolarHBondContact O-N 3.43Å; I197-S199 VanDerWaalsContact C-N 3.25Å; I197-S199 PolarHBondContact O-N 2.98Å; I197-T200 PolarHBondContact O-N 3.19Å; I197-T200 PolarHBondContact O-OG1 3.17Å; I197-M201 HydrophobicContact CG2-CG 4.23Å; I197-M201 HydrophobicContact CG2-SD 3.91Å; I197-M201 WeakPolarHBondContact O-CB 3.46Å; I197-M201 WeakPolarHBondContact O-CG 3.25Å; I197-M201 PolarHBondContact O-N 2.98Å
198K88.5Confident86.8Confident166 Ų16684.4 Ų84.472%0.72241%0.411SS*.Hα-helixtrans-63.1-33.8179.7-171.6177-179.2-1790112.2N194 R195 L196 K202N194-K198 WeakPolarHBondContact O-CB 3.42Å; N194-K198 PolarHBondContact O-N 3.33Å; N194-K198 VanDerWaalsContact O-N 3.12Å; R195-K198 PolarHBondContact O-N 3.42Å; L196-K198 VanDerWaalsContact C-N 3.32Å; L196-K198 PolarHBondContact O-N 2.78Å; K198-K202 PolarHBondContact O-N 3.4Å
199S86.4Confident87Confident72 Ų7284.7 Ų84.750%0.50341%0.412SS..Hα-helixtrans-71.1-50.5174.9-163.70000111.7R195 L196 I197 M201 K202 E203R195-S199 PolarHBondContact O-N 2.86Å; L196-S199 WeakPolarHBondContact O-CA 3.21Å; L196-S199 WeakPolarHBondContact O-CB 3.49Å; L196-S199 PolarHBondContact O-N 3.04Å; I197-S199 VanDerWaalsContact C-N 3.25Å; I197-S199 PolarHBondContact O-N 2.98Å; S199-M201 PolarHBondContact O-N 3.07Å; S199-K202 PolarHBondContact O-N 2.92Å; S199-E203 WeakPolarHBondContact O-CB 3.44Å; S199-E203 PolarHBondContact O-N 2.82Å
200T84.1Confident87Confident18 Ų1887.3 Ų87.311%0.1142%0.421CS..Hα-helixtrans-65.1-40.5-177.954.80000111.7K174 L196 I197 K202 E203 E204K174-T200 HydrophobicContact CD-CG2 4.27Å; L196-T200 HydrophobicContact CD1-CG2 4.1Å; L196-T200 PolarHBondContact O-N 2.89Å; L196-T200 PolarHBondContact O-OG1 2.36Å; I197-T200 PolarHBondContact O-N 3.19Å; I197-T200 PolarHBondContact O-OG1 3.17Å; T200-K202 VanDerWaalsContact C-N 3.32Å; T200-K202 PolarHBondContact O-N 3.04Å; T200-E203 PolarHBondContact O-N 2.81Å; T200-E204 WeakPolarHBondContact O-CB 3.32Å; T200-E204 PolarHBondContact O-N 2.82Å
201M82.5Confident87Confident122 Ų12285.5 Ų85.560%0.60141%0.414SS*.Hα-helixtrans-62.6-36.7175.1-74.3-173.677.200112.7I197 S199 Q205I197-M201 HydrophobicContact CG2-CG 4.23Å; I197-M201 HydrophobicContact CG2-SD 3.91Å; I197-M201 WeakPolarHBondContact O-CB 3.46Å; I197-M201 WeakPolarHBondContact O-CG 3.25Å; I197-M201 PolarHBondContact O-N 2.98Å; S199-M201 PolarHBondContact O-N 3.07Å; M201-Q205 VanDerWaalsContact O-CB 3.28Å; M201-Q205 WeakPolarHBondContact O-CB 3.25Å; M201-Q205 PolarHBondContact O-N 2.84Å
202K85.6Confident87.2Confident148 Ų14882.6 Ų82.664%0.64341%0.409SS*.Hα-helixtrans-69.7-43.7176.1-166.5-159.5174.8-150.80111.2K198 S199 T200 E204 Q205 E206K198-K202 PolarHBondContact O-N 3.4Å; S199-K202 PolarHBondContact O-N 2.92Å; T200-K202 VanDerWaalsContact C-N 3.32Å; T200-K202 PolarHBondContact O-N 3.04Å; K202-E204 VanDerWaalsContact C-N 3.32Å; K202-Q205 PolarHBondContact O-N 3Å; K202-E206 PolarHBondContact O-N 3.42Å
203E86.3Confident87.3Confident58 Ų5885.3 Ų85.327%0.27142%0.417SS..Hα-helixtrans-61.6-40.3176.7-164.1-160.712600111.6K174 S199 T200 R207K174-E203 VanDerWaalsContact NZ-CD 3.31Å; K174-E203 IonicContact NZ-OE1 2.76Å; K174-E203 PolarHBondContact NZ-OE1 2.76Å; K174-E203 VanDerWaalsContact NZ-OE1 3.1Å; K174-E203 IonicContact NZ-OE2 3.94Å; K174-E203 PolarHBondContact NZ-OE2 3.09Å; S199-E203 WeakPolarHBondContact O-CB 3.44Å; S199-E203 PolarHBondContact O-N 2.82Å; T200-E203 PolarHBondContact O-N 2.81Å; E203-R207 VanDerWaalsContact O-CB 3.29Å; E203-R207 WeakPolarHBondContact O-CB 3.37Å; E203-R207 PolarHBondContact O-N 3.42Å; E203-R207 VanDerWaalsContact O-N 3.11Å; E203-R207 PolarHBondContact O-NH1 3.03Å; E203-R207 IonicContact OE1-CZ 2.71Å; E203-R207 IonicContact OE1-NH1 2.94Å; E203-R207 PolarHBondContact OE1-NH1 3.17Å; E203-R207 IonicContact OE1-NH2 3.97Å; E203-R207 PolarHBondContact OE1-NH2 3.38Å
204E86.6Confident87.4Confident110 Ų11086.7 Ų86.751%0.51442%0.422SS..Hα-helixtrans-70.8-42.3177.1-173.7167-153.500112.3T200 K202 R207 A208T200-E204 WeakPolarHBondContact O-CB 3.32Å; T200-E204 PolarHBondContact O-N 2.82Å; K202-E204 VanDerWaalsContact C-N 3.32Å; E204-R207 PolarHBondContact O-N 2.87Å; E204-A208 WeakPolarHBondContact O-CB 3.38Å; E204-A208 PolarHBondContact O-N 3.39Å
205Q86.2Confident87.6Confident108 Ų10888 Ų8851%0.50543%0.425SS..Hα-helixtrans-61.3-47.6174.2-179.264.130.300111.8M201 K202 R207 A208 E209M201-Q205 VanDerWaalsContact O-CB 3.28Å; M201-Q205 WeakPolarHBondContact O-CB 3.25Å; M201-Q205 PolarHBondContact O-N 2.84Å; K202-Q205 PolarHBondContact O-N 3Å; Q205-R207 VanDerWaalsContact C-N 3.31Å; Q205-R207 PolarHBondContact O-N 3.45Å; Q205-A208 PolarHBondContact O-N 2.68Å; Q205-E209 PolarHBondContact NE2-OE1 3.19Å; Q205-E209 WeakPolarHBondContact O-CG 3.48Å; Q205-E209 PolarHBondContact O-N 3.23Å
206E87.9Confident87.8Confident91 Ų9185.8 Ų85.843%0.42543%0.43SS..Hα-helixtrans-62.9-39.1178.5-167.5-170.3127.300111.4K202 E209 K210K202-E206 PolarHBondContact O-N 3.42Å; E206-E209 PolarHBondContact O-N 3.08Å; E206-K210 WeakPolarHBondContact O-CG 3.45Å; E206-K210 PolarHBondContact O-N 2.88Å; E206-K210 VanDerWaalsContact OE1-CE 3.23Å; E206-K210 WeakPolarHBondContact OE1-CE 3.35Å; E206-K210 IonicContact OE1-NZ 3.2Å; E206-K210 PolarHBondContact OE1-NZ 3.15Å
207R86.4Confident88Confident120 Ų12085.9 Ų85.945%0.45343%0.432SS..Hα-helixtrans-65.3-43.5174.5-174.4179.4-69.3108.7-6.8111.9E203 E204 Q205 E209 K210 V211E203-R207 VanDerWaalsContact O-CB 3.29Å; E203-R207 WeakPolarHBondContact O-CB 3.37Å; E203-R207 PolarHBondContact O-N 3.42Å; E203-R207 VanDerWaalsContact O-N 3.11Å; E203-R207 PolarHBondContact O-NH1 3.03Å; E203-R207 IonicContact OE1-CZ 2.71Å; E203-R207 IonicContact OE1-NH1 2.94Å; E203-R207 PolarHBondContact OE1-NH1 3.17Å; E203-R207 IonicContact OE1-NH2 3.97Å; E203-R207 PolarHBondContact OE1-NH2 3.38Å; E204-R207 PolarHBondContact O-N 2.87Å; Q205-R207 VanDerWaalsContact C-N 3.31Å; Q205-R207 PolarHBondContact O-N 3.45Å; R207-E209 PolarHBondContact O-N 3.06Å; R207-K210 PolarHBondContact O-N 2.88Å; R207-V211 WeakPolarHBondContact O-CG2 3.35Å; R207-V211 PolarHBondContact O-N 2.88Å
208A86.3Confident88.3Confident53 Ų5384.6 Ų84.644%0.43843%0.425SS..Hα-helixtrans-63.2-39.8176.600000112E204 Q205 V211 A212E204-A208 WeakPolarHBondContact O-CB 3.38Å; E204-A208 PolarHBondContact O-N 3.39Å; Q205-A208 PolarHBondContact O-N 2.68Å; A208-V211 PolarHBondContact O-N 2.98Å; A208-A212 VanDerWaalsContact O-CB 3.29Å; A208-A212 WeakPolarHBondContact O-CB 3.28Å; A208-A212 PolarHBondContact O-N 3.22Å
209E88.9Confident88.5Confident115 Ų11579.3 Ų79.354%0.53741%0.412SS..Hα-helixtrans-65-41.2174.4-74.3174-16100112.4Q205 E206 R207 K213Q205-E209 PolarHBondContact NE2-OE1 3.19Å; Q205-E209 WeakPolarHBondContact O-CG 3.48Å; Q205-E209 PolarHBondContact O-N 3.23Å; E206-E209 PolarHBondContact O-N 3.08Å; R207-E209 PolarHBondContact O-N 3.06Å; E209-K213 VanDerWaalsContact O-CB 3.27Å; E209-K213 WeakPolarHBondContact O-CB 3.47Å; E209-K213 PolarHBondContact O-N 3.16Å
210K88Confident88.8Confident99 Ų9979.3 Ų79.343%0.4340%0.404SS..Hα-helixtrans-61.8-46.5173.2-72.8171.8-172169.30111.9E206 R207 K213 R214E206-K210 WeakPolarHBondContact O-CG 3.45Å; E206-K210 PolarHBondContact O-N 2.88Å; E206-K210 VanDerWaalsContact OE1-CE 3.23Å; E206-K210 WeakPolarHBondContact OE1-CE 3.35Å; E206-K210 IonicContact OE1-NZ 3.2Å; E206-K210 PolarHBondContact OE1-NZ 3.15Å; R207-K210 PolarHBondContact O-N 2.88Å; K210-K213 PolarHBondContact O-N 3.44Å; K210-R214 WeakPolarHBondContact O-CB 3.36Å; K210-R214 PolarHBondContact O-N 3.21Å
211V88.1Confident89.3Confident48 Ų4878.6 Ų78.629%0.29140%0.4SS..Hα-helixtrans-63.5-48.1177.9172.20000110.9R207 A208 K213 R214 E215R207-V211 WeakPolarHBondContact O-CG2 3.35Å; R207-V211 PolarHBondContact O-N 2.88Å; A208-V211 PolarHBondContact O-N 2.98Å; V211-K213 VanDerWaalsContact C-N 3.35Å; V211-K213 PolarHBondContact O-N 3.47Å; V211-R214 CarbonylContact O-C 3.58Å; V211-R214 WeakPolarHBondContact O-CA 3.37Å; V211-R214 WeakPolarHBondContact O-CB 3.28Å; V211-R214 PolarHBondContact O-N 2.97Å; V211-R214 VanDerWaalsContact O-N 3.1Å; V211-E215 HydrophobicContact CG1-CG 4.17Å; V211-E215 WeakPolarHBondContact O-CG 3.44Å; V211-E215 PolarHBondContact O-N 3.24Å
212A91Very high89.8Confident53 Ų5378.9 Ų78.944%0.43840%0.4SS..Hα-helixtrans-62.2-38.6178.400000112.8A208 S216A208-A212 VanDerWaalsContact O-CB 3.29Å; A208-A212 WeakPolarHBondContact O-CB 3.28Å; A208-A212 PolarHBondContact O-N 3.22Å; A212-S216 WeakPolarHBondContact O-CB 3.45Å; A212-S216 PolarHBondContact O-N 3.04Å
213K90.3Very high90.2Very high104 Ų10474.6 Ų74.645%0.45239%0.389SS..Hα-helixtrans-61.1-43.4172.4177.2-169.3167-158.50111.4E209 K210 V211 T217 D268E209-K213 VanDerWaalsContact O-CB 3.27Å; E209-K213 WeakPolarHBondContact O-CB 3.47Å; E209-K213 PolarHBondContact O-N 3.16Å; K210-K213 PolarHBondContact O-N 3.44Å; V211-K213 VanDerWaalsContact C-N 3.35Å; V211-K213 PolarHBondContact O-N 3.47Å; K213-T217 WeakPolarHBondContact O-CG2 3.46Å; K213-T217 PolarHBondContact O-N 3.28Å; K213-T217 PolarHBondContact O-OG1 2.83Å; K213-D268 IonicContact NZ-OD2 3.62Å; K213-D268 PolarHBondContact NZ-OD2 3.03Å
214R90.5Very high90.4Very high30 Ų3071.9 Ų71.911%0.11338%0.376CS..Hα-helixtrans-63.6-54.8174.9160.8-179.3151-1500.2111.2K210 V211 S216 T217 L218 L265 D272K210-R214 WeakPolarHBondContact O-CB 3.36Å; K210-R214 PolarHBondContact O-N 3.21Å; V211-R214 CarbonylContact O-C 3.58Å; V211-R214 WeakPolarHBondContact O-CA 3.37Å; V211-R214 WeakPolarHBondContact O-CB 3.28Å; V211-R214 PolarHBondContact O-N 2.97Å; V211-R214 VanDerWaalsContact O-N 3.1Å; R214-S216 PolarHBondContact O-N 2.9Å; R214-T217 PolarHBondContact O-N 2.76Å; R214-T217 VanDerWaalsContact O-N 3.17Å; R214-T217 PolarHBondContact O-OG1 3.26Å; R214-L218 HydrophobicContact CG-CD1 3.64Å; R214-L218 HydrophobicContact CG-CG 4.31Å; R214-L218 WeakPolarHBondContact O-CB 2.86Å; R214-L218 VanDerWaalsContact O-CG 3.29Å; R214-L218 WeakPolarHBondContact O-CG 3.36Å; R214-L218 PolarHBondContact O-N 2.95Å; R214-L265 HydrophobicContact CB-CD1 4.31Å; R214-L265 HydrophobicContact CB-CD2 4.29Å; R214-L265 HydrophobicContact CG-CD2 4.43Å; R214-D272 IonicContact NH1-OD2 2.71Å; R214-D272 PolarHBondContact NH1-OD2 2.89Å; R214-D272 VanDerWaalsContact NH1-OD2 3.16Å
215E91.3Very high90.7Very high116 Ų11666.7 Ų66.754%0.54235%0.352SS..Hα-helixtrans-59.5-44.3-178.2-71.3178.9166.400111.9V211 T217 L218 A219V211-E215 HydrophobicContact CG1-CG 4.17Å; V211-E215 WeakPolarHBondContact O-CG 3.44Å; V211-E215 PolarHBondContact O-N 3.24Å; E215-T217 VanDerWaalsContact C-N 3.33Å; E215-T217 PolarHBondContact O-N 2.84Å; E215-L218 PolarHBondContact O-N 2.61Å; E215-A219 VanDerWaalsContact O-CB 3.27Å; E215-A219 WeakPolarHBondContact O-CB 3.35Å; E215-A219 PolarHBondContact O-N 3.4Å
216S93.9Very high91Very high83 Ų8367.3 Ų67.358%0.5835%0.353SS*.Hα-helixtrans-61-39176.8-176.20000112.9A212 R214 E220A212-S216 WeakPolarHBondContact O-CB 3.45Å; A212-S216 PolarHBondContact O-N 3.04Å; R214-S216 PolarHBondContact O-N 2.9Å; S216-E220 PolarHBondContact O-N 2.95Å
217T91.1Very high91.1Very high37 Ų3766.6 Ų66.623%0.22735%0.349CS..Hα-helixtrans-79.6-34-179.847.10000112.5K213 R214 E215 V221 L265K213-T217 WeakPolarHBondContact O-CG2 3.46Å; K213-T217 PolarHBondContact O-N 3.28Å; K213-T217 PolarHBondContact O-OG1 2.83Å; R214-T217 PolarHBondContact O-N 2.76Å; R214-T217 VanDerWaalsContact O-N 3.17Å; R214-T217 PolarHBondContact O-OG1 3.26Å; E215-T217 VanDerWaalsContact C-N 3.33Å; E215-T217 PolarHBondContact O-N 2.84Å; T217-V221 WeakPolarHBondContact O-CB 3.28Å; T217-V221 VanDerWaalsContact O-CG2 3.3Å; T217-V221 WeakPolarHBondContact O-CG2 3.35Å; T217-V221 PolarHBondContact O-N 2.95Å; T217-V221 VanDerWaalsContact O-N 3.08Å; T217-L265 WeakPolarHBondContact OG1-CD2 3.35Å
218L93.7Very high91.2Very high25 Ų2560.9 Ų60.913%0.13133%0.328CS..Hα-helixtrans-65.5-42.8171.4-67.6175.5000111.4R214 E215 V221 E222 L262 Q278 I279 A282R214-L218 HydrophobicContact CG-CD1 3.64Å; R214-L218 HydrophobicContact CG-CG 4.31Å; R214-L218 WeakPolarHBondContact O-CB 2.86Å; R214-L218 VanDerWaalsContact O-CG 3.29Å; R214-L218 WeakPolarHBondContact O-CG 3.36Å; R214-L218 PolarHBondContact O-N 2.95Å; E215-L218 PolarHBondContact O-N 2.61Å; L218-V221 PolarHBondContact O-N 2.92Å; L218-E222 WeakPolarHBondContact O-CB 3.28Å; L218-E222 PolarHBondContact O-N 3.21Å; L218-L262 HydrophobicContact CD2-CD2 4.03Å; L218-Q278 HydrophobicContact CD1-CB 4.49Å; L218-I279 HydrophobicContact CD2-CG1 4.28Å; L218-A282 HydrophobicContact CD2-CB 3.63Å
219A94.1Very high91.3Very high55 Ų5562 Ų6246%0.45532%0.321SS..Hα-helixtrans-65.5-37.5177.100000112.9E215 S223E215-A219 VanDerWaalsContact O-CB 3.27Å; E215-A219 WeakPolarHBondContact O-CB 3.35Å; E215-A219 PolarHBondContact O-N 3.4Å; A219-S223 WeakPolarHBondContact O-CB 3.29Å; A219-S223 PolarHBondContact O-N 3.21Å
220E93Very high91.3Very high72 Ų7261.1 Ų61.134%0.33632%0.317SS..Hα-helixtrans-64.5-41.2172.2-175.9175.7-166.300111.5S216 S224 R254 L258S216-E220 PolarHBondContact O-N 2.95Å; E220-S224 VanDerWaalsContact O-CB 3.24Å; E220-S224 WeakPolarHBondContact O-CB 3.43Å; E220-S224 PolarHBondContact O-N 3.09Å; E220-S224 PolarHBondContact O-OG 2.87Å; E220-R254 IonicContact OE1-CZ 3.24Å; E220-R254 VanDerWaalsContact OE1-CZ 3.24Å; E220-R254 IonicContact OE1-NE 2.68Å; E220-R254 PolarHBondContact OE1-NE 3.5Å; E220-R254 IonicContact OE1-NH2 2.69Å; E220-R254 PolarHBondContact OE1-NH2 3.39Å; E220-L258 HydrophobicContact CG-CD1 4.12Å; E220-L258 HydrophobicContact CG-CD2 4.25Å
221V94.6Very high91.1Very high3 Ų358.9 Ų58.92%0.01831%0.309CS..Hα-helixtrans-64.1-49.3176.4164.90000111.5T217 L218 S223 S224 T225 L258 L262 A282 L286T217-V221 WeakPolarHBondContact O-CB 3.28Å; T217-V221 VanDerWaalsContact O-CG2 3.3Å; T217-V221 WeakPolarHBondContact O-CG2 3.35Å; T217-V221 PolarHBondContact O-N 2.95Å; T217-V221 VanDerWaalsContact O-N 3.08Å; L218-V221 PolarHBondContact O-N 2.92Å; V221-S223 PolarHBondContact O-N 2.97Å; V221-S224 PolarHBondContact O-N 3.37Å; V221-T225 WeakPolarHBondContact O-CB 3.47Å; V221-T225 PolarHBondContact O-N 2.82Å; V221-T225 PolarHBondContact O-OG1 3.22Å; V221-L258 HydrophobicContact CG2-CB 3.96Å; V221-L258 HydrophobicContact CG2-CD1 3.99Å; V221-L258 HydrophobicContact CG2-CD2 4.28Å; V221-L258 HydrophobicContact CG2-CG 4.3Å; V221-L262 HydrophobicContact CG1-CD1 4.1Å; V221-L262 HydrophobicContact CG2-CD1 3.94Å; V221-L262 HydrophobicContact CG2-CD2 4.1Å; V221-L262 HydrophobicContact CG2-CG 4.05Å; V221-A282 HydrophobicContact CG1-CB 4.18Å; V221-L286 HydrophobicContact CG1-CB 4.11Å; V221-L286 HydrophobicContact CG1-CD1 4.47Å; V221-L286 HydrophobicContact CG1-CD2 4.17Å; V221-L286 HydrophobicContact CG1-CG 4.49Å; V221-L286 HydrophobicContact CG2-CD2 4.32Å
222E93.3Very high90.9Very high129 Ų12957 Ų5760%0.60330%0.298SS*.Hα-helixtrans-59.2-48.7179-169.3-166.215400110.7L218 T225 K226L218-E222 WeakPolarHBondContact O-CB 3.28Å; L218-E222 PolarHBondContact O-N 3.21Å; E222-T225 PolarHBondContact O-N 3.27Å; E222-K226 VanDerWaalsContact O-CB 3.25Å; E222-K226 WeakPolarHBondContact O-CB 3.48Å; E222-K226 PolarHBondContact O-N 3.13Å
223S93.5Very high90.5Very high57 Ų5760.5 Ų60.540%0.39931%0.305SS..Hα-helixtrans-61.4-47.6179.1-169.50000112.1A219 V221 K226 Q227A219-S223 WeakPolarHBondContact O-CB 3.29Å; A219-S223 PolarHBondContact O-N 3.21Å; V221-S223 PolarHBondContact O-N 2.97Å; S223-K226 PolarHBondContact O-N 3.08Å; S223-Q227 WeakPolarHBondContact O-CB 3.27Å; S223-Q227 VanDerWaalsContact O-CG 3.26Å; S223-Q227 WeakPolarHBondContact O-CG 3.46Å; S223-Q227 PolarHBondContact O-N 3.26Å; S223-Q227 PolarHBondContact OG-NE2 2.81Å
224S90.8Very high89.9Confident1 Ų160.6 Ų60.61%0.00731%0.307CS..Hα-helixtrans-65.6-40.7178.8-54.70000112E220 V221 L228E220-S224 VanDerWaalsContact O-CB 3.24Å; E220-S224 WeakPolarHBondContact O-CB 3.43Å; E220-S224 PolarHBondContact O-N 3.09Å; E220-S224 PolarHBondContact O-OG 2.87Å; V221-S224 PolarHBondContact O-N 3.37Å; S224-L228 WeakPolarHBondContact O-CB 3.47Å; S224-L228 PolarHBondContact O-N 2.8Å
225T92.4Very high89.1Confident1 Ų161.8 Ų61.81%0.00631%0.314CS..Hα-helixtrans-67.5-40.4178.2-53.70000110.9V221 E222 R229 E285 L286 A289V221-T225 WeakPolarHBondContact O-CB 3.47Å; V221-T225 PolarHBondContact O-N 2.82Å; V221-T225 PolarHBondContact O-OG1 3.22Å; E222-T225 PolarHBondContact O-N 3.27Å; T225-R229 WeakPolarHBondContact O-CB 3.38Å; T225-R229 VanDerWaalsContact O-CG 3.32Å; T225-R229 WeakPolarHBondContact O-CG 3.43Å; T225-R229 PolarHBondContact O-N 2.87Å; T225-R229 PolarHBondContact O-NE 3.08Å; T225-E285 HydrophobicContact CG2-CB 4.44Å; T225-L286 WeakPolarHBondContact OG1-CD1 3.1Å; T225-A289 HydrophobicContact CG2-CB 3.56Å
226K92.1Very high88.1Confident122 Ų12261.3 Ų61.353%0.5331%0.314SS..Hα-helixtrans-64.6-48.5175-174.8176.4177.8179.30111.8E222 S223 L228 R229 E230E222-K226 VanDerWaalsContact O-CB 3.25Å; E222-K226 WeakPolarHBondContact O-CB 3.48Å; E222-K226 PolarHBondContact O-N 3.13Å; S223-K226 PolarHBondContact O-N 3.08Å; K226-L228 VanDerWaalsContact C-N 3.34Å; K226-L228 PolarHBondContact O-N 3.12Å; K226-R229 PolarHBondContact O-N 2.52Å; K226-E230 WeakPolarHBondContact O-CB 3.47Å; K226-E230 PolarHBondContact O-N 2.84Å
227Q90.6Very high86.9Confident75 Ų7563.3 Ų63.335%0.3532%0.322SS..Hα-helixtrans-60-42.9177.2-71.6169.118.300111.9S223 E230 L231 L251S223-Q227 WeakPolarHBondContact O-CB 3.27Å; S223-Q227 VanDerWaalsContact O-CG 3.26Å; S223-Q227 WeakPolarHBondContact O-CG 3.46Å; S223-Q227 PolarHBondContact O-N 3.26Å; S223-Q227 PolarHBondContact OG-NE2 2.81Å; Q227-E230 PolarHBondContact O-N 2.87Å; Q227-L231 WeakPolarHBondContact O-CG 3.35Å; Q227-L231 PolarHBondContact O-N 2.79Å; Q227-L251 HydrophobicContact CB-CD1 4.2Å; Q227-L251 HydrophobicContact CB-CD2 4.32Å
228L89.1Confident85.5Confident0 Ų064.1 Ų64.10%033%0.332CS..Hα-helixtrans-63.5-41.8175.9-177.960.7000112S224 K226 L232 V248 L251 C255 A289 Y293S224-L228 WeakPolarHBondContact O-CB 3.47Å; S224-L228 PolarHBondContact O-N 2.8Å; K226-L228 VanDerWaalsContact C-N 3.34Å; K226-L228 PolarHBondContact O-N 3.12Å; L228-L232 HydrophobicContact CD1-CD1 4.2Å; L228-L232 HydrophobicContact CD1-CG 4.37Å; L228-L232 HydrophobicContact CG-CD1 4.05Å; L228-L232 WeakPolarHBondContact O-CB 3.39Å; L228-L232 WeakPolarHBondContact O-CD1 3.41Å; L228-L232 WeakPolarHBondContact O-CG 3.4Å; L228-L232 PolarHBondContact O-N 2.85Å; L228-V248 HydrophobicContact CD1-CG1 3.98Å; L228-L251 HydrophobicContact CD1-CB 4.47Å; L228-C255 HydrophobicContact CD2-CB 4.22Å; L228-A289 HydrophobicContact CD2-CB 4.26Å; L228-Y293 HydrophobicContact CD1-CD2 4.32Å
229R87.8Confident83.8Confident77 Ų7772 Ų7229%0.29137%0.368SS..Hα-helixtrans-62.6-48.6174.8-75.7-178.1-72.4-144.14.9112T225 K226 L231 L232 E233 E285 A289T225-R229 WeakPolarHBondContact O-CB 3.38Å; T225-R229 VanDerWaalsContact O-CG 3.32Å; T225-R229 WeakPolarHBondContact O-CG 3.43Å; T225-R229 PolarHBondContact O-N 2.87Å; T225-R229 PolarHBondContact O-NE 3.08Å; K226-R229 PolarHBondContact O-N 2.52Å; R229-L231 PolarHBondContact O-N 3.18Å; R229-L232 PolarHBondContact O-N 2.85Å; R229-E233 WeakPolarHBondContact O-CG 3.44Å; R229-E233 PolarHBondContact O-N 3.01Å; R229-E285 IonicContact CZ-OE2 2.88Å; R229-E285 IonicContact NH1-OE2 3.13Å; R229-E285 PolarHBondContact NH1-OE2 3.43Å; R229-E285 IonicContact NH2-OE2 3.57Å; R229-E285 PolarHBondContact NH2-OE2 3.33Å; R229-A289 HydrophobicContact CG-CB 3.91Å
230E88Confident81.6Confident97 Ų9774 Ų7445%0.45338%0.375SS..Hα-helixtrans-63.7-41.7-176.9-171.7169.3174.600112.2K226 Q227 E233 Q234K226-E230 WeakPolarHBondContact O-CB 3.47Å; K226-E230 PolarHBondContact O-N 2.84Å; Q227-E230 PolarHBondContact O-N 2.87Å; E230-E233 PolarHBondContact O-N 3.01Å; E230-Q234 VanDerWaalsContact O-CG 3.28Å; E230-Q234 WeakPolarHBondContact O-CG 3.32Å; E230-Q234 PolarHBondContact O-N 2.84Å
231L84.2Confident79.5Confident52 Ų5274.8 Ų74.827%0.27239%0.389SS..Hα-helixtrans-70.2-34.3174-67.8177.2000113Q227 R229 Q234 Q235 V248 L251Q227-L231 WeakPolarHBondContact O-CG 3.35Å; Q227-L231 PolarHBondContact O-N 2.79Å; R229-L231 PolarHBondContact O-N 3.18Å; L231-Q234 PolarHBondContact O-N 2.89Å; L231-Q235 WeakPolarHBondContact O-CB 3.43Å; L231-Q235 PolarHBondContact O-N 3.12Å; L231-V248 HydrophobicContact CB-CG2 4.17Å; L231-V248 HydrophobicContact CD1-CG2 4.29Å; L231-L251 HydrophobicContact CD1-CD1 3.47Å; L231-L251 VanDerWaalsContact CD1-CD1 3.47Å
232L83.2Confident77.5Confident9 Ų982 Ų825%0.04743%0.427CS..Hα-helixtrans-64.8-42.5173.1-77168.4000111.7L228 R229 Q235 I236 V248 A292 Y293 V296L228-L232 HydrophobicContact CD1-CD1 4.2Å; L228-L232 HydrophobicContact CD1-CG 4.37Å; L228-L232 HydrophobicContact CG-CD1 4.05Å; L228-L232 WeakPolarHBondContact O-CB 3.39Å; L228-L232 WeakPolarHBondContact O-CD1 3.41Å; L228-L232 WeakPolarHBondContact O-CG 3.4Å; L228-L232 PolarHBondContact O-N 2.85Å; R229-L232 PolarHBondContact O-N 2.85Å; L232-Q235 PolarHBondContact O-N 2.77Å; L232-I236 WeakPolarHBondContact O-CB 3.46Å; L232-I236 WeakPolarHBondContact O-CD1 3.36Å; L232-I236 WeakPolarHBondContact O-CG1 3.37Å; L232-I236 PolarHBondContact O-N 2.65Å; L232-V248 HydrophobicContact CD2-CG1 4.45Å; L232-A292 HydrophobicContact CD1-CB 4.15Å; L232-Y293 HydrophobicContact CD2-CD2 4.12Å; L232-V296 HydrophobicContact CD2-CB 4.25Å; L232-V296 HydrophobicContact CD2-CG1 4.5Å; L232-V296 HydrophobicContact CD2-CG2 4.14Å
233E82.6Confident75.7Confident125 Ų12582.8 Ų82.858%0.58443%0.43SS*.Hα-helixtrans-63-43.5175.5-74.1172.7-16100111.3R229 E230 Q235 I236 V237R229-E233 WeakPolarHBondContact O-CG 3.44Å; R229-E233 PolarHBondContact O-N 3.01Å; E230-E233 PolarHBondContact O-N 3.01Å; E233-Q235 PolarHBondContact O-N 3.38Å; E233-I236 PolarHBondContact O-N 2.87Å; E233-V237 WeakPolarHBondContact O-CB 3.38Å; E233-V237 WeakPolarHBondContact O-CG2 3.01Å; E233-V237 PolarHBondContact O-N 3.36Å
234Q78.7Confident74.1Confident106 Ų10681.9 Ų81.950%0.49542%0.423SS..Hα-helixtrans-61.2-43.6173.5-70.6173.125.600112.2E230 L231 I236 V237 A238E230-Q234 VanDerWaalsContact O-CG 3.28Å; E230-Q234 WeakPolarHBondContact O-CG 3.32Å; E230-Q234 PolarHBondContact O-N 2.84Å; L231-Q234 PolarHBondContact O-N 2.89Å; Q234-I236 VanDerWaalsContact C-N 3.32Å; Q234-I236 PolarHBondContact O-N 2.71Å; Q234-V237 PolarHBondContact O-N 3.19Å; Q234-A238 WeakPolarHBondContact O-CB 3.15Å; Q234-A238 PolarHBondContact O-N 2.87Å
235Q73Confident73Confident55 Ų5584.5 Ų84.526%0.25744%0.441SS..Hα-helixtrans-63.8-36.2177.2-166.672.744.300112.3L231 L232 E233 T240L231-Q235 WeakPolarHBondContact O-CB 3.43Å; L231-Q235 PolarHBondContact O-N 3.12Å; L232-Q235 PolarHBondContact O-N 2.77Å; E233-Q235 PolarHBondContact O-N 3.38Å; Q235-T240 PolarHBondContact NE2-O 3.4Å
236I70.4Confident72.3Confident106 Ų10690.2 Ų90.254%0.54447%0.472SS..Hα-helixtrans-70.8-40.3176.6-70.9163.2000111.4L232 E233 Q234 V296L232-I236 WeakPolarHBondContact O-CB 3.46Å; L232-I236 WeakPolarHBondContact O-CD1 3.36Å; L232-I236 WeakPolarHBondContact O-CG1 3.37Å; L232-I236 PolarHBondContact O-N 2.65Å; E233-I236 PolarHBondContact O-N 2.87Å; Q234-I236 VanDerWaalsContact C-N 3.32Å; Q234-I236 PolarHBondContact O-N 2.71Å; I236-V296 HydrophobicContact CD1-CG2 3.98Å; I236-V296 HydrophobicContact CG1-CG2 4.2Å
237V68.5Low71.6Confident126 Ų12689 Ų8976%0.76447%0.471SS*.Hα-helixtrans-78.4-29.9-177.6171.20000112.7E233 Q234E233-V237 WeakPolarHBondContact O-CB 3.38Å; E233-V237 WeakPolarHBondContact O-CG2 3.01Å; E233-V237 PolarHBondContact O-N 3.36Å; Q234-V237 PolarHBondContact O-N 3.19Å
238A62.3Low71.2Confident53 Ų5385.8 Ų85.844%0.43846%0.457SS..Hα-helixtrans-83-18-173.500000115.3Q234 T240Q234-A238 WeakPolarHBondContact O-CB 3.15Å; Q234-A238 PolarHBondContact O-N 2.87Å; A238-T240 PolarHBondContact O-N 2.93Å; A238-T240 PolarHBondContact O-OG1 2.91Å
239E57Low70.9Confident190 Ų19089.9 Ų89.989%0.88848%0.475SS*.  trans4617.7-168.8-66.3-161.9139.400115.1
240T49Very low70.9Confident98 Ų9892.6 Ų92.660%0.60149%0.491SS*.  trans-101.7124.9-165.6-63.90000111.5Q235 A238Q235-T240 PolarHBondContact NE2-O 3.4Å; A238-T240 PolarHBondContact O-N 2.93Å; A238-T240 PolarHBondContact O-OG1 2.91Å
241S49Very low70.9Confident88 Ų8889 Ų8962%0.61547%0.474SS*.  trans72.5134.8-176.2-163.50000115.8Q243S241-Q243 VanDerWaalsContact C-N 3.27Å; S241-Q243 PolarHBondContact O-N 2.81Å
242L53.3Low71Confident156 Ų15688.6 Ų88.682%0.81747%0.47SS*.SBendtrans-86.711.5179.5-87158.6000113.5
243Q55Low71.3Confident144 Ų14492.1 Ų92.167%0.67349%0.486SS*.SBendtrans-133.7143.9173.6-66.4-66.2-81.800108.6S241S241-Q243 VanDerWaalsContact C-N 3.27Å; S241-Q243 PolarHBondContact O-N 2.81Å
244P59Low71.7Confident38 Ų3890.8 Ų90.825%0.24748%0.475CS..  trans-61.6146.4169.731-37.1000109.5M297P244-M297 HydrophobicContact CB-SD 4.14Å; P244-M297 HydrophobicContact CG-CE 3.99Å; P244-M297 HydrophobicContact CG-SD 3.7Å
245S68.1Low72.3Confident57 Ų5785.8 Ų85.840%0.39945%0.452SS..  trans-63.9145.3166.3-156.60000109.7D247 V248 K249S245-D247 VanDerWaalsContact CB-OD2 3.26Å; S245-D247 WeakPolarHBondContact CB-OD2 3.19Å; S245-D247 PolarHBondContact O-N 3.46Å; S245-D247 VanDerWaalsContact O-N 3.13Å; S245-D247 PolarHBondContact OG-OD2 3.48Å; S245-V248 PolarHBondContact O-N 2.89Å; S245-K249 PolarHBondContact O-N 3.24Å
246D76.7Confident73Confident120 Ų12086.3 Ų86.364%0.64246%0.457SS*.Hα-helixtrans-58-28.1178.6-83-53.6000111.5V248 K249 E250D246-V248 VanDerWaalsContact C-N 3.34Å; D246-V248 PolarHBondContact O-N 2.76Å; D246-K249 WeakPolarHBondContact O-CB 3.16Å; D246-K249 PolarHBondContact O-N 2.76Å; D246-E250 PolarHBondContact O-N 3.08Å
247D77.8Confident73.9Confident96 Ų9687.8 Ų87.851%0.51346%0.455SS..Hα-helixtrans-58.4-42.1174.1-35.7-83.3000112.5S245 K249 E250 L251S245-D247 VanDerWaalsContact CB-OD2 3.26Å; S245-D247 WeakPolarHBondContact CB-OD2 3.19Å; S245-D247 PolarHBondContact O-N 3.46Å; S245-D247 VanDerWaalsContact O-N 3.13Å; S245-D247 PolarHBondContact OG-OD2 3.48Å; D247-K249 VanDerWaalsContact C-N 3.32Å; D247-E250 PolarHBondContact O-N 3.48Å; D247-L251 WeakPolarHBondContact O-CB 3.33Å; D247-L251 WeakPolarHBondContact O-CG 3.35Å; D247-L251 PolarHBondContact O-N 3.24Å
248V81.8Confident75Confident8 Ų882.4 Ų82.45%0.04842%0.422CS..Hα-helixtrans-70.2-35.4-179.4-1680000110.1L228 L231 L232 S245 D246 Y252 Y293L228-V248 HydrophobicContact CD1-CG1 3.98Å; L231-V248 HydrophobicContact CB-CG2 4.17Å; L231-V248 HydrophobicContact CD1-CG2 4.29Å; L232-V248 HydrophobicContact CD2-CG1 4.45Å; S245-V248 PolarHBondContact O-N 2.89Å; D246-V248 VanDerWaalsContact C-N 3.34Å; D246-V248 PolarHBondContact O-N 2.76Å; V248-Y252 WeakPolarHBondContact O-CB 3.42Å; V248-Y252 PolarHBondContact O-N 3.03Å; V248-Y293 HydrophobicContact CG1-CD2 3.91Å; V248-Y293 HydrophobicContact CG1-CE2 3.87Å
249K84.1Confident76.3Confident87 Ų8782.4 Ų82.438%0.37841%0.411SS..Hα-helixtrans-70.4-43.1175.4-179.2-170163.6-152.30111.3S245 D246 D247 Y252 E253S245-K249 PolarHBondContact O-N 3.24Å; D246-K249 WeakPolarHBondContact O-CB 3.16Å; D246-K249 PolarHBondContact O-N 2.76Å; D247-K249 VanDerWaalsContact C-N 3.32Å; K249-Y252 WeakPolarHBondContact O-CB 3.36Å; K249-Y252 PolarHBondContact O-N 3.43Å; K249-E253 WeakPolarHBondContact CE-OE1 3.27Å; K249-E253 WeakPolarHBondContact O-CG 3.33Å; K249-E253 PolarHBondContact O-N 3.41Å
250E87.7Confident78Confident134 Ų13477.4 Ų77.463%0.62640%0.395SS*.Hα-helixtrans-62.8-42.6175.6-174.1176.4170.500111.4D246 D247 E253 R254D246-E250 PolarHBondContact O-N 3.08Å; D247-E250 PolarHBondContact O-N 3.48Å; E250-E253 PolarHBondContact O-N 2.93Å; E250-R254 PolarHBondContact O-N 2.97Å
251L86.9Confident79.9Confident22 Ų2274.7 Ų74.712%0.11538%0.38CS..Hα-helixtrans-64.8-39.7173.8-78.7165.6000112.5Q227 L228 L231 D247 R254 C255Q227-L251 HydrophobicContact CB-CD1 4.2Å; Q227-L251 HydrophobicContact CB-CD2 4.32Å; L228-L251 HydrophobicContact CD1-CB 4.47Å; L231-L251 HydrophobicContact CD1-CD1 3.47Å; L231-L251 VanDerWaalsContact CD1-CD1 3.47Å; D247-L251 WeakPolarHBondContact O-CB 3.33Å; D247-L251 WeakPolarHBondContact O-CG 3.35Å; D247-L251 PolarHBondContact O-N 3.24Å; L251-R254 PolarHBondContact O-N 3.03Å; L251-C255 WeakPolarHBondContact O-CB 3.31Å; L251-C255 PolarHBondContact O-N 2.98Å; L251-C255 PolarHBondContact O-SG 3.36Å
252Y87.7Confident82Confident43 Ų4370.5 Ų70.517%0.16935%0.35CS..Hα-helixtrans-59.3-46.1171169.9-90.9000111.7V248 K249 R254 C255 D256 V290 Y293 K294V248-Y252 WeakPolarHBondContact O-CB 3.42Å; V248-Y252 PolarHBondContact O-N 3.03Å; K249-Y252 WeakPolarHBondContact O-CB 3.36Å; K249-Y252 PolarHBondContact O-N 3.43Å; Y252-R254 VanDerWaalsContact C-N 3.34Å; Y252-R254 PolarHBondContact O-N 2.71Å; Y252-C255 WeakPolarHBondContact O-CB 3.23Å; Y252-C255 PolarHBondContact O-N 3.5Å; Y252-D256 PolarHBondContact O-N 3.27Å; Y252-V290 HydrophobicContact CE2-CB 4.47Å; Y252-V290 HydrophobicContact CE2-CG1 4.01Å; Y252-V290 HydrophobicContact CE2-CG2 4.49Å; Y252-Y293 HydrophobicContact CD1-CD1 4.22Å; Y252-Y293 AromaticContact CD1-CE1 3.9Å; Y252-Y293 HydrophobicContact CD1-CE1 3.9Å; Y252-Y293 AromaticContact CD2-CD1 3.12Å; Y252-Y293 HydrophobicContact CD2-CD1 3.12Å; Y252-Y293 HydrophobicContact CD2-CD2 4.39Å; Y252-Y293 AromaticContact CD2-CE1 3.67Å; Y252-Y293 HydrophobicContact CD2-CE1 3.67Å; Y252-Y293 AromaticContact CD2-CG 3.54Å; Y252-Y293 HydrophobicContact CD2-CG 3.54Å; Y252-Y293 HydrophobicContact CE1-CE1 4.36Å; Y252-Y293 AromaticContact CE2-CD1 3.52Å; Y252-Y293 HydrophobicContact CE2-CD1 3.52Å; Y252-Y293 HydrophobicContact CE2-CE1 4.11Å; Y252-Y293 HydrophobicContact CE2-CG 4.26Å; Y252-Y293 AromaticContact CG-CD1 3.52Å; Y252-Y293 HydrophobicContact CG-CD1 3.52Å; Y252-Y293 HydrophobicContact CG-CD2 4.48Å; Y252-Y293 AromaticContact CG-CE1 3.55Å; Y252-Y293 HydrophobicContact CG-CE1 3.55Å; Y252-Y293 HydrophobicContact CG-CG 4Å; Y252-K294 HydrophobicContact CE2-CG 4.27Å; Y252-K294 WeakPolarHBondContact OH-CE 3.41Å
253E89.4Confident83.8Confident82 Ų8270 Ų7038%0.38334%0.342SS..Hα-helixtrans-67-33.2178-69.3-178.2-160.800112.2K249 E250 D256 R257K249-E253 WeakPolarHBondContact CE-OE1 3.27Å; K249-E253 WeakPolarHBondContact O-CG 3.33Å; K249-E253 PolarHBondContact O-N 3.41Å; E250-E253 PolarHBondContact O-N 2.93Å; E253-D256 PolarHBondContact O-N 3.32Å; E253-R257 WeakPolarHBondContact O-CG 3.41Å; E253-R257 PolarHBondContact O-N 2.73Å; E253-R257 IonicContact OE2-NH1 2.73Å
254R90.4Very high85.6Confident98 Ų9870 Ų7037%0.3734%0.336SS..Hα-helixtrans-62.6-47.6170.4-171-178.9-171.2169.41.6110.9E220 E250 L251 Y252 D256 R257 L258E220-R254 IonicContact OE1-CZ 3.24Å; E220-R254 VanDerWaalsContact OE1-CZ 3.24Å; E220-R254 IonicContact OE1-NE 2.68Å; E220-R254 PolarHBondContact OE1-NE 3.5Å; E220-R254 IonicContact OE1-NH2 2.69Å; E220-R254 PolarHBondContact OE1-NH2 3.39Å; E250-R254 PolarHBondContact O-N 2.97Å; L251-R254 PolarHBondContact O-N 3.03Å; Y252-R254 VanDerWaalsContact C-N 3.34Å; Y252-R254 PolarHBondContact O-N 2.71Å; R254-D256 VanDerWaalsContact C-N 3.28Å; R254-D256 PolarHBondContact O-N 3.29Å; R254-R257 PolarHBondContact O-N 3.01Å; R254-L258 HydrophobicContact CG-CD1 4.34Å; R254-L258 WeakPolarHBondContact O-CG 3.2Å; R254-L258 PolarHBondContact O-N 3.18Å; R254-L258 VanDerWaalsContact O-N 3.11Å
255C90.3Very high87.1Confident0 Ų068.7 Ų68.70%033%0.326CS..Hα-helixtrans-60.8-34.5175-72.10000112.8L228 L251 Y252 L258 L286 V290L228-C255 HydrophobicContact CD2-CB 4.22Å; L251-C255 WeakPolarHBondContact O-CB 3.31Å; L251-C255 PolarHBondContact O-N 2.98Å; L251-C255 PolarHBondContact O-SG 3.36Å; Y252-C255 WeakPolarHBondContact O-CB 3.23Å; Y252-C255 PolarHBondContact O-N 3.5Å; C255-L258 PolarHBondContact O-N 3Å; C255-L286 HydrophobicContact CB-CD1 3.58Å; C255-V290 HydrophobicContact CB-CG2 3.91Å
256D87.6Confident88.2Confident67 Ų6766.9 Ų66.936%0.35832%0.315SS..Hα-helixtrans-68.1-42174.5-159.371.8000112.5Y252 E253 R254 L258 R259 P260Y252-D256 PolarHBondContact O-N 3.27Å; E253-D256 PolarHBondContact O-N 3.32Å; R254-D256 VanDerWaalsContact C-N 3.28Å; R254-D256 PolarHBondContact O-N 3.29Å; D256-L258 VanDerWaalsContact C-N 3.28Å; D256-L258 PolarHBondContact O-N 3.09Å; D256-R259 PolarHBondContact O-N 3.26Å; D256-R259 IonicContact OD1-CZ 2.67Å; D256-R259 IonicContact OD1-NH1 2.87Å; D256-R259 PolarHBondContact OD1-NH1 3.1Å; D256-R259 IonicContact OD1-NH2 2.71Å; D256-R259 PolarHBondContact OD1-NH2 3.44Å; D256-P260 VanDerWaalsContact O-CD 3.28Å; D256-P260 WeakPolarHBondContact O-CD 3.36Å
257R89.5Confident88.9Confident137 Ų13764.4 Ų64.452%0.51731%0.307SS..Hα-helixtrans-65.7-24.6175-70.4-178-65.4-101.56.4114E253 R254E253-R257 WeakPolarHBondContact O-CG 3.41Å; E253-R257 PolarHBondContact O-N 2.73Å; E253-R257 IonicContact OE2-NH1 2.73Å; R254-R257 PolarHBondContact O-N 3.01Å
258L91.9Very high89.3Confident13 Ų1363.7 Ų63.77%0.06830%0.303CS..Hα-helixtrans-80.1-28.6-179.9-72.3167.7000113.8E220 V221 R254 C255 D256 S261 L262 L286E220-L258 HydrophobicContact CG-CD1 4.12Å; E220-L258 HydrophobicContact CG-CD2 4.25Å; V221-L258 HydrophobicContact CG2-CB 3.96Å; V221-L258 HydrophobicContact CG2-CD1 3.99Å; V221-L258 HydrophobicContact CG2-CD2 4.28Å; V221-L258 HydrophobicContact CG2-CG 4.3Å; R254-L258 HydrophobicContact CG-CD1 4.34Å; R254-L258 WeakPolarHBondContact O-CG 3.2Å; R254-L258 PolarHBondContact O-N 3.18Å; R254-L258 VanDerWaalsContact O-N 3.11Å; C255-L258 PolarHBondContact O-N 3Å; D256-L258 VanDerWaalsContact C-N 3.28Å; D256-L258 PolarHBondContact O-N 3.09Å; L258-S261 WeakPolarHBondContact O-CA 3.46Å; L258-S261 WeakPolarHBondContact O-CB 2.98Å; L258-S261 PolarHBondContact O-N 3.41Å; L258-L262 PolarHBondContact O-N 2.87Å; L258-L286 HydrophobicContact CB-CD2 4.04Å
259R90.2Very high89.5Confident53 Ų5364.1 Ų64.120%0.231%0.306CS..Hα-helixtrans-55.9-47.4179.5-101.6-179.5-83.1102.50.1114.1D256 S261 L262 F263 L286D256-R259 PolarHBondContact O-N 3.26Å; D256-R259 IonicContact OD1-CZ 2.67Å; D256-R259 IonicContact OD1-NH1 2.87Å; D256-R259 PolarHBondContact OD1-NH1 3.1Å; D256-R259 IonicContact OD1-NH2 2.71Å; D256-R259 PolarHBondContact OD1-NH2 3.44Å; R259-S261 VanDerWaalsContact C-N 3.26Å; R259-S261 PolarHBondContact O-N 2.94Å; R259-L262 PolarHBondContact O-N 3.18Å; R259-F263 PolarHBondContact O-N 2.97Å; R259-L286 HydrophobicContact CB-CD2 4.49Å; R259-L286 HydrophobicContact CG-CD2 3.78Å; R259-L286 HydrophobicContact CG-CG 4.31Å
260P91.9Very high89.4Confident85 Ų8565.8 Ų65.855%0.55232%0.323SS*.Hα-helixtrans-61-32173.5-25.735.4000113.9D256 R264D256-P260 VanDerWaalsContact O-CD 3.28Å; D256-P260 WeakPolarHBondContact O-CD 3.36Å; P260-R264 PolarHBondContact O-N 3.44Å
261S89.8Confident89.2Confident40 Ų4062.5 Ų62.528%0.2831%0.31SS..Hα-helixtrans-70.8-40177.7-68.60000112.1L258 R259 L265L258-S261 WeakPolarHBondContact O-CA 3.46Å; L258-S261 WeakPolarHBondContact O-CB 2.98Å; L258-S261 PolarHBondContact O-N 3.41Å; R259-S261 VanDerWaalsContact C-N 3.26Å; R259-S261 PolarHBondContact O-N 2.94Å; S261-L265 WeakPolarHBondContact O-CB 3.28Å; S261-L265 PolarHBondContact O-N 3.33Å
262L92.1Very high89.1Confident1 Ų164.3 Ų64.31%0.00532%0.32CS..Hα-helixtrans-64.2-42.4171.6-71.7173.6000112.2L218 V221 L258 R259 R264 L265 A266 I279 N283 L286L218-L262 HydrophobicContact CD2-CD2 4.03Å; V221-L262 HydrophobicContact CG1-CD1 4.1Å; V221-L262 HydrophobicContact CG2-CD1 3.94Å; V221-L262 HydrophobicContact CG2-CD2 4.1Å; V221-L262 HydrophobicContact CG2-CG 4.05Å; L258-L262 PolarHBondContact O-N 2.87Å; R259-L262 PolarHBondContact O-N 3.18Å; L262-R264 PolarHBondContact O-N 3.49Å; L262-L265 PolarHBondContact O-N 3.3Å; L262-L265 VanDerWaalsContact O-N 3.16Å; L262-A266 WeakPolarHBondContact O-CB 3.45Å; L262-A266 PolarHBondContact O-N 3.13Å; L262-I279 HydrophobicContact CD2-CG2 4.15Å; L262-N283 HydrophobicContact CD1-CB 3.88Å; L262-L286 HydrophobicContact CD1-CD2 3.62Å
263F92Very high89.1Confident145 Ų14568.6 Ų68.664%0.63635%0.346SS*.Hα-helixtrans-62.4-42.5178.1-174.7-90.4000112R259 S267R259-F263 PolarHBondContact O-N 2.97Å; F263-S267 PolarHBondContact O-N 3.27Å; F263-S267 PolarHBondContact O-OG 2.85Å
264R92.6Very high89Confident145 Ų14567.6 Ų67.655%0.54735%0.352SS..Hα-helixtrans-62.9-44.6171.1178.4177.856.2-163.7-7.9111.3P260 L262 A266 S267 D268P260-R264 PolarHBondContact O-N 3.44Å; L262-R264 PolarHBondContact O-N 3.49Å; R264-A266 VanDerWaalsContact C-N 3.33Å; R264-A266 PolarHBondContact O-N 2.93Å; R264-S267 CarbonylContact O-C 3.51Å; R264-S267 WeakPolarHBondContact O-CA 3.46Å; R264-S267 WeakPolarHBondContact O-CB 3.46Å; R264-S267 PolarHBondContact O-N 3.25Å; R264-D268 WeakPolarHBondContact O-CB 3.48Å; R264-D268 VanDerWaalsContact O-CG 3.25Å; R264-D268 PolarHBondContact O-N 2.65Å
265L91.3Very high88.9Confident9 Ų963 Ų635%0.04734%0.335CS..Hα-helixtrans-60.6-40.8179.2-171.671.9000112.1R214 T217 S261 L262 S267 D268 T269 I279R214-L265 HydrophobicContact CB-CD1 4.31Å; R214-L265 HydrophobicContact CB-CD2 4.29Å; R214-L265 HydrophobicContact CG-CD2 4.43Å; T217-L265 WeakPolarHBondContact OG1-CD2 3.35Å; S261-L265 WeakPolarHBondContact O-CB 3.28Å; S261-L265 PolarHBondContact O-N 3.33Å; L262-L265 PolarHBondContact O-N 3.3Å; L262-L265 VanDerWaalsContact O-N 3.16Å; L265-S267 VanDerWaalsContact C-N 3.31Å; L265-S267 PolarHBondContact O-N 3.18Å; L265-D268 PolarHBondContact O-N 3.1Å; L265-T269 VanDerWaalsContact O-CB 3.29Å; L265-T269 WeakPolarHBondContact O-CB 3.33Å; L265-T269 PolarHBondContact O-N 3.19Å; L265-T269 VanDerWaalsContact O-N 3.08Å; L265-T269 PolarHBondContact O-OG1 3.14Å; L265-I279 HydrophobicContact CB-CG2 4.42Å; L265-I279 HydrophobicContact CD2-CD1 3.93Å; L265-I279 HydrophobicContact CD2-CG1 3.85Å; L265-I279 HydrophobicContact CD2-CG2 4.24Å; L265-I279 HydrophobicContact CG-CD1 3.83Å; L265-I279 HydrophobicContact CG-CG1 4.29Å
266A90.4Very high89Confident20 Ų2065.2 Ų65.217%0.16535%0.346CS..Hα-helixtrans-65.8-32.2172.500000112.7L262 R264 L276 I279L262-A266 WeakPolarHBondContact O-CB 3.45Å; L262-A266 PolarHBondContact O-N 3.13Å; R264-A266 VanDerWaalsContact C-N 3.33Å; R264-A266 PolarHBondContact O-N 2.93Å; A266-L276 HydrophobicContact CB-CD1 3.75Å; A266-I279 HydrophobicContact CB-CG2 3.89Å
267S90.5Very high89.3Confident67 Ų6766.8 Ų66.847%0.46936%0.358SS..Hα-helixtrans-75.4-32174.1-53.10000112.9F263 R264 L265 T269F263-S267 PolarHBondContact O-N 3.27Å; F263-S267 PolarHBondContact O-OG 2.85Å; R264-S267 CarbonylContact O-C 3.51Å; R264-S267 WeakPolarHBondContact O-CA 3.46Å; R264-S267 WeakPolarHBondContact O-CB 3.46Å; R264-S267 PolarHBondContact O-N 3.25Å; L265-S267 VanDerWaalsContact C-N 3.31Å; L265-S267 PolarHBondContact O-N 3.18Å; S267-T269 VanDerWaalsContact C-N 3.3Å
268D86.8Confident89.4Confident82 Ų8265 Ų6544%0.43936%0.355SS..Hα-helixtrans-74.8-19.8175.7-69.2-6.5000111.9K213 R264 L265K213-D268 IonicContact NZ-OD2 3.62Å; K213-D268 PolarHBondContact NZ-OD2 3.03Å; R264-D268 WeakPolarHBondContact O-CB 3.48Å; R264-D268 VanDerWaalsContact O-CG 3.25Å; R264-D268 PolarHBondContact O-N 2.65Å; L265-D268 PolarHBondContact O-N 3.1Å
269T87.3Confident89.5Confident16 Ų1664.4 Ų64.410%0.09835%0.352CS..  trans-111.182.5-170.9-50.10000110.8L265 S267 D272 A275 I279L265-T269 VanDerWaalsContact O-CB 3.29Å; L265-T269 WeakPolarHBondContact O-CB 3.33Å; L265-T269 PolarHBondContact O-N 3.19Å; L265-T269 VanDerWaalsContact O-N 3.08Å; L265-T269 PolarHBondContact O-OG1 3.14Å; S267-T269 VanDerWaalsContact C-N 3.3Å; T269-D272 HydrophobicContact CG2-CB 4.48Å; T269-A275 HydrophobicContact CG2-CB 3.53Å; T269-I279 HydrophobicContact CG2-CD1 4.21Å
270T82.2Confident89.6Confident122 Ų12265.9 Ų65.975%0.74836%0.364SS*.  trans-108.60.9177.262.20000113.3
271D82.1Confident89.7Confident66 Ų6664.3 Ų64.335%0.35336%0.358SS..SBendtrans-108.2-3.6-172.454.8-32.2000113.8E166E166-D271 HydrophobicContact CG-CB 4.43Å
272D85Confident89.9Confident59 Ų5963.3 Ų63.332%0.31635%0.352SS..  trans-144.698.7177.3-179.9-5.2000110.4R214 T269 A274 A275 L276R214-D272 IonicContact NH1-OD2 2.71Å; R214-D272 PolarHBondContact NH1-OD2 2.89Å; R214-D272 VanDerWaalsContact NH1-OD2 3.16Å; T269-D272 HydrophobicContact CG2-CB 4.48Å; D272-A274 PolarHBondContact O-N 3.05Å; D272-A274 WeakPolarHBondContact OD1-CA 3.48Å; D272-A274 WeakPolarHBondContact OD1-CB 3.46Å; D272-A274 PolarHBondContact OD1-N 2.87Å; D272-A275 HydrophobicContact CB-CB 3.69Å; D272-A275 VanDerWaalsContact CG-CB 3.42Å; D272-A275 VanDerWaalsContact CG-N 3.34Å; D272-A275 VanDerWaalsContact O-CB 3.3Å; D272-A275 WeakPolarHBondContact O-CB 3.35Å; D272-A275 PolarHBondContact O-N 2.79Å; D272-A275 PolarHBondContact OD1-N 2.82Å; D272-A275 WeakPolarHBondContact OD2-CB 3.21Å; D272-L276 PolarHBondContact O-N 2.72Å
273D87.7Confident89.9Confident134 Ų13464.9 Ų64.972%0.71736%0.36SS*.Hα-helixtrans-58.5-33.5175.9-82.3-28.7000112.5L276 V277D273-L276 PolarHBondContact O-N 3.03Å; D273-V277 WeakPolarHBondContact O-CG2 3.28Å; D273-V277 PolarHBondContact O-N 2.8Å
274A88.2Confident90Very high61 Ų6162.9 Ų62.950%0.50436%0.357SS..Hα-helixtrans-74.2-32.2179.900000111.5D272 Q278D272-A274 PolarHBondContact O-N 3.05Å; D272-A274 WeakPolarHBondContact OD1-CA 3.48Å; D272-A274 WeakPolarHBondContact OD1-CB 3.46Å; D272-A274 PolarHBondContact OD1-N 2.87Å; A274-Q278 WeakPolarHBondContact O-CG 3.19Å; A274-Q278 PolarHBondContact O-N 2.94Å
275A88.3Confident90Very high1 Ų160.2 Ų60.21%0.00835%0.35CS..Hα-helixtrans-62.3-49.4166.300000111.8T269 D272 V277 Q278 I279T269-A275 HydrophobicContact CG2-CB 3.53Å; D272-A275 HydrophobicContact CB-CB 3.69Å; D272-A275 VanDerWaalsContact CG-CB 3.42Å; D272-A275 VanDerWaalsContact CG-N 3.34Å; D272-A275 VanDerWaalsContact O-CB 3.3Å; D272-A275 WeakPolarHBondContact O-CB 3.35Å; D272-A275 PolarHBondContact O-N 2.79Å; D272-A275 PolarHBondContact OD1-N 2.82Å; D272-A275 WeakPolarHBondContact OD2-CB 3.21Å; A275-V277 VanDerWaalsContact C-N 3.3Å; A275-V277 PolarHBondContact O-N 2.82Å; A275-Q278 WeakPolarHBondContact O-CB 3.47Å; A275-Q278 PolarHBondContact O-N 2.86Å; A275-I279 HydrophobicContact CB-CD1 4.49Å; A275-I279 VanDerWaalsContact O-CG1 3.29Å; A275-I279 WeakPolarHBondContact O-CG1 3.48Å; A275-I279 PolarHBondContact O-N 3.28Å
276L92.3Very high90Very high47 Ų4759.8 Ų59.825%0.24635%0.348CS..Hα-helixtrans-59-43.7-176.5-177.358.5000111A266 D272 D273 Q278 I279 L280A266-L276 HydrophobicContact CB-CD1 3.75Å; D272-L276 PolarHBondContact O-N 2.72Å; D273-L276 PolarHBondContact O-N 3.03Å; L276-Q278 VanDerWaalsContact C-N 3.34Å; L276-Q278 PolarHBondContact O-N 2.89Å; L276-I279 PolarHBondContact O-N 3.2Å; L276-L280 HydrophobicContact CD1-CD1 4.35Å; L276-L280 HydrophobicContact CD1-CG 4.36Å; L276-L280 HydrophobicContact CG-CD1 4.15Å; L276-L280 VanDerWaalsContact O-CG 3.28Å; L276-L280 WeakPolarHBondContact O-CG 3.5Å; L276-L280 PolarHBondContact O-N 2.87Å
277V92.6Very high90.1Very high100 Ų10060.9 Ų60.961%0.60635%0.353SS*.Hα-helixtrans-58.3-41.8173.9169.40000112.4D273 A275 L280 A281D273-V277 WeakPolarHBondContact O-CG2 3.28Å; D273-V277 PolarHBondContact O-N 2.8Å; A275-V277 VanDerWaalsContact C-N 3.3Å; A275-V277 PolarHBondContact O-N 2.82Å; V277-L280 PolarHBondContact O-N 2.84Å; V277-A281 WeakPolarHBondContact O-CB 3.36Å; V277-A281 PolarHBondContact O-N 3.3Å
278Q92.1Very high90.1Very high98 Ų9863.5 Ų63.546%0.45836%0.361SS..Hα-helixtrans-67.1-39.8176.9-69.1173.213.500112.5L218 A274 A275 L276 A281 A282L218-Q278 HydrophobicContact CD1-CB 4.49Å; A274-Q278 WeakPolarHBondContact O-CG 3.19Å; A274-Q278 PolarHBondContact O-N 2.94Å; A275-Q278 WeakPolarHBondContact O-CB 3.47Å; A275-Q278 PolarHBondContact O-N 2.86Å; L276-Q278 VanDerWaalsContact C-N 3.34Å; L276-Q278 PolarHBondContact O-N 2.89Å; Q278-A281 PolarHBondContact O-N 2.89Å; Q278-A282 WeakPolarHBondContact O-CB 3.47Å; Q278-A282 PolarHBondContact O-N 2.95Å
279I93.6Very high90.2Very high1 Ų159.8 Ų59.81%0.00534%0.341CS..Hα-helixtrans-66.4-39.5178.6-61.4159000110.8L218 L262 L265 A266 T269 A275 L276 N283L218-I279 HydrophobicContact CD2-CG1 4.28Å; L262-I279 HydrophobicContact CD2-CG2 4.15Å; L265-I279 HydrophobicContact CB-CG2 4.42Å; L265-I279 HydrophobicContact CD2-CD1 3.93Å; L265-I279 HydrophobicContact CD2-CG1 3.85Å; L265-I279 HydrophobicContact CD2-CG2 4.24Å; L265-I279 HydrophobicContact CG-CD1 3.83Å; L265-I279 HydrophobicContact CG-CG1 4.29Å; A266-I279 HydrophobicContact CB-CG2 3.89Å; T269-I279 HydrophobicContact CG2-CD1 4.21Å; A275-I279 HydrophobicContact CB-CD1 4.49Å; A275-I279 VanDerWaalsContact O-CG1 3.29Å; A275-I279 WeakPolarHBondContact O-CG1 3.48Å; A275-I279 PolarHBondContact O-N 3.28Å; L276-I279 PolarHBondContact O-N 3.2Å; I279-N283 WeakPolarHBondContact O-CB 3.29Å; I279-N283 PolarHBondContact O-N 2.89Å; I279-N283 VanDerWaalsContact O-N 3.12Å
280L93.3Very high90.3Very high84 Ų8459 Ų5944%0.4434%0.337SS..Hα-helixtrans-66.9-46.4175.3-67.8172.8000111.6L276 V277 A282 N283 D284L276-L280 HydrophobicContact CD1-CD1 4.35Å; L276-L280 HydrophobicContact CD1-CG 4.36Å; L276-L280 HydrophobicContact CG-CD1 4.15Å; L276-L280 VanDerWaalsContact O-CG 3.28Å; L276-L280 WeakPolarHBondContact O-CG 3.5Å; L276-L280 PolarHBondContact O-N 2.87Å; V277-L280 PolarHBondContact O-N 2.84Å; L280-A282 VanDerWaalsContact C-N 3.34Å; L280-A282 PolarHBondContact O-N 2.98Å; L280-N283 WeakPolarHBondContact O-CB 3.39Å; L280-N283 PolarHBondContact O-N 2.83Å; L280-D284 PolarHBondContact O-N 3.03Å
281A93.6Very high90.6Very high52 Ų5256.5 Ų56.543%0.4332%0.319SS..Hα-helixtrans-58.9-42.317700000112.7V277 Q278 N283 D284 E285V277-A281 WeakPolarHBondContact O-CB 3.36Å; V277-A281 PolarHBondContact O-N 3.3Å; Q278-A281 PolarHBondContact O-N 2.89Å; A281-N283 VanDerWaalsContact C-N 3.31Å; A281-N283 PolarHBondContact O-N 2.82Å; A281-D284 PolarHBondContact O-N 3.33Å; A281-E285 PolarHBondContact O-N 3.39Å
282A93.7Very high90.8Very high19 Ų1955.5 Ų55.516%0.15732%0.32CS..Hα-helixtrans-65.5-32.9175.100000112.9L218 V221 Q278 L280 L286L218-A282 HydrophobicContact CD2-CB 3.63Å; V221-A282 HydrophobicContact CG1-CB 4.18Å; Q278-A282 WeakPolarHBondContact O-CB 3.47Å; Q278-A282 PolarHBondContact O-N 2.95Å; L280-A282 VanDerWaalsContact C-N 3.34Å; L280-A282 PolarHBondContact O-N 2.98Å; A282-L286 WeakPolarHBondContact O-CB 3.4Å; A282-L286 PolarHBondContact O-N 3.31Å
283N93.4Very high90.8Very high34 Ų3453.7 Ų53.718%0.18231%0.308CS..Hα-helixtrans-70.7-38.5175.2-169.514.4000112.1L262 I279 L280 A281 T287L262-N283 HydrophobicContact CD1-CB 3.88Å; I279-N283 WeakPolarHBondContact O-CB 3.29Å; I279-N283 PolarHBondContact O-N 2.89Å; I279-N283 VanDerWaalsContact O-N 3.12Å; L280-N283 WeakPolarHBondContact O-CB 3.39Å; L280-N283 PolarHBondContact O-N 2.83Å; A281-N283 VanDerWaalsContact C-N 3.31Å; A281-N283 PolarHBondContact O-N 2.82Å; N283-T287 WeakPolarHBondContact O-CB 3.37Å; N283-T287 PolarHBondContact O-N 3.49Å; N283-T287 PolarHBondContact O-OG1 3.15Å
284D92.9Very high90.7Very high104 Ų10451.4 Ų51.456%0.55629%0.292SS*.Hα-helixtrans-65.1-46.3174.4-72.9-27000111.2L280 A281 L286 T287 L288L280-D284 PolarHBondContact O-N 3.03Å; A281-D284 PolarHBondContact O-N 3.33Å; D284-L286 PolarHBondContact O-N 3.42Å; D284-T287 PolarHBondContact O-N 2.78Å; D284-L288 WeakPolarHBondContact O-CG 3.37Å; D284-L288 PolarHBondContact O-N 3.42Å
285E91.9Very high90.4Very high88 Ų8852.3 Ų52.341%0.41129%0.288SS..Hα-helixtrans-59-47.4173.8-83.3-156.5-144.700113T225 R229 A281 T287 L288 A289T225-E285 HydrophobicContact CG2-CB 4.44Å; R229-E285 IonicContact CZ-OE2 2.88Å; R229-E285 IonicContact NH1-OE2 3.13Å; R229-E285 PolarHBondContact NH1-OE2 3.43Å; R229-E285 IonicContact NH2-OE2 3.57Å; R229-E285 PolarHBondContact NH2-OE2 3.33Å; A281-E285 PolarHBondContact O-N 3.39Å; E285-T287 VanDerWaalsContact C-N 3.27Å; E285-T287 PolarHBondContact O-N 2.73Å; E285-L288 PolarHBondContact O-N 2.91Å; E285-A289 PolarHBondContact O-N 2.87Å
286L93.2Very high90Very high0 Ų054.2 Ų54.20%030%0.3CS..Hα-helixtrans-59.4-40176.6-17963.5000111.3V221 T225 C255 L258 R259 L262 A282 D284 V290V221-L286 HydrophobicContact CG1-CB 4.11Å; V221-L286 HydrophobicContact CG1-CD1 4.47Å; V221-L286 HydrophobicContact CG1-CD2 4.17Å; V221-L286 HydrophobicContact CG1-CG 4.49Å; V221-L286 HydrophobicContact CG2-CD2 4.32Å; T225-L286 WeakPolarHBondContact OG1-CD1 3.1Å; C255-L286 HydrophobicContact CB-CD1 3.58Å; L258-L286 HydrophobicContact CB-CD2 4.04Å; R259-L286 HydrophobicContact CB-CD2 4.49Å; R259-L286 HydrophobicContact CG-CD2 3.78Å; R259-L286 HydrophobicContact CG-CG 4.31Å; L262-L286 HydrophobicContact CD1-CD2 3.62Å; A282-L286 WeakPolarHBondContact O-CB 3.4Å; A282-L286 PolarHBondContact O-N 3.31Å; D284-L286 PolarHBondContact O-N 3.42Å; L286-V290 VanDerWaalsContact O-CB 3.24Å; L286-V290 WeakPolarHBondContact O-CB 3.27Å; L286-V290 WeakPolarHBondContact O-CG2 3.24Å; L286-V290 PolarHBondContact O-N 2.89Å
287T91.6Very high89Confident44 Ų4455.6 Ų55.627%0.2731%0.306SS..Hα-helixtrans-69.2-38.3177.8-64.20000112N283 D284 E285 N291N283-T287 WeakPolarHBondContact O-CB 3.37Å; N283-T287 PolarHBondContact O-N 3.49Å; N283-T287 PolarHBondContact O-OG1 3.15Å; D284-T287 PolarHBondContact O-N 2.78Å; E285-T287 VanDerWaalsContact C-N 3.27Å; E285-T287 PolarHBondContact O-N 2.73Å; T287-N291 WeakPolarHBondContact O-CB 3.26Å; T287-N291 PolarHBondContact O-N 3.35Å; T287-N291 PolarHBondContact O-ND2 3Å
288L91.2Very high88Confident122 Ų12253.4 Ų53.464%0.63930%0.298SS*.Hα-helixtrans-63-48.4174.5-73.1169.1000111.8D284 E285 V290 N291 A292D284-L288 WeakPolarHBondContact O-CG 3.37Å; D284-L288 PolarHBondContact O-N 3.42Å; E285-L288 PolarHBondContact O-N 2.91Å; L288-V290 PolarHBondContact O-N 3.41Å; L288-N291 PolarHBondContact O-N 3.23Å; L288-A292 PolarHBondContact O-N 2.87Å
289A88.5Confident86.8Confident3 Ų356.1 Ų56.13%0.02530%0.304CS..Hα-helixtrans-64.5-41.1178.700000112.6T225 L228 R229 E285 N291 A292 Y293T225-A289 HydrophobicContact CG2-CB 3.56Å; L228-A289 HydrophobicContact CD2-CB 4.26Å; R229-A289 HydrophobicContact CG-CB 3.91Å; E285-A289 PolarHBondContact O-N 2.87Å; A289-N291 VanDerWaalsContact C-N 3.28Å; A289-N291 PolarHBondContact O-N 3.05Å; A289-A292 PolarHBondContact O-N 3.23Å; A289-Y293 PolarHBondContact O-N 2.92Å
290V89.1Confident85Confident1 Ų158.5 Ų58.51%0.00633%0.329CS..Hα-helixtrans-57.5-40172.7154.70000112Y252 C255 L286 L288 K294Y252-V290 HydrophobicContact CE2-CB 4.47Å; Y252-V290 HydrophobicContact CE2-CG1 4.01Å; Y252-V290 HydrophobicContact CE2-CG2 4.49Å; C255-V290 HydrophobicContact CB-CG2 3.91Å; L286-V290 VanDerWaalsContact O-CB 3.24Å; L286-V290 WeakPolarHBondContact O-CB 3.27Å; L286-V290 WeakPolarHBondContact O-CG2 3.24Å; L286-V290 PolarHBondContact O-N 2.89Å; L288-V290 PolarHBondContact O-N 3.41Å; V290-K294 VanDerWaalsContact CG1-NZ 3.29Å; V290-K294 WeakPolarHBondContact O-CG 3.43Å; V290-K294 PolarHBondContact O-N 2.92Å
291N88.4Confident82.9Confident68 Ų6860.2 Ų60.236%0.36434%0.343SS..Hα-helixtrans-77.6-34.2179.6-68.8-22.8000111.7T287 L288 A289 Y293 K294 D295T287-N291 WeakPolarHBondContact O-CB 3.26Å; T287-N291 PolarHBondContact O-N 3.35Å; T287-N291 PolarHBondContact O-ND2 3Å; L288-N291 PolarHBondContact O-N 3.23Å; A289-N291 VanDerWaalsContact C-N 3.28Å; A289-N291 PolarHBondContact O-N 3.05Å; N291-Y293 VanDerWaalsContact C-N 3.34Å; N291-Y293 PolarHBondContact O-N 3.35Å; N291-K294 PolarHBondContact O-N 2.93Å; N291-K294 PolarHBondContact OD1-NZ 3.04Å; N291-K294 VanDerWaalsContact OD1-NZ 3.14Å; N291-D295 WeakPolarHBondContact O-CB 3.38Å; N291-D295 PolarHBondContact O-N 3.3Å
292A86.2Confident80.5Confident45 Ų4561.9 Ų61.937%0.37235%0.351SS..Hα-helixtrans-58.3-42.6170.700000112.3L232 L288 A289 D295 V296L232-A292 HydrophobicContact CD1-CB 4.15Å; L288-A292 PolarHBondContact O-N 2.87Å; A289-A292 PolarHBondContact O-N 3.23Å; A292-D295 PolarHBondContact O-N 3.01Å; A292-V296 WeakPolarHBondContact O-CG2 3.29Å; A292-V296 PolarHBondContact O-N 3.2Å
293Y85.6Confident78Confident21 Ų2167.9 Ų67.98%0.08238%0.38CS..Hα-helixtrans-58.6-49.1172.5175.1-92.4000112.2L228 L232 V248 Y252 A289 N291 D295 V296 M297L228-Y293 HydrophobicContact CD1-CD2 4.32Å; L232-Y293 HydrophobicContact CD2-CD2 4.12Å; V248-Y293 HydrophobicContact CG1-CD2 3.91Å; V248-Y293 HydrophobicContact CG1-CE2 3.87Å; Y252-Y293 HydrophobicContact CD1-CD1 4.22Å; Y252-Y293 AromaticContact CD1-CE1 3.9Å; Y252-Y293 HydrophobicContact CD1-CE1 3.9Å; Y252-Y293 AromaticContact CD2-CD1 3.12Å; Y252-Y293 HydrophobicContact CD2-CD1 3.12Å; Y252-Y293 HydrophobicContact CD2-CD2 4.39Å; Y252-Y293 AromaticContact CD2-CE1 3.67Å; Y252-Y293 HydrophobicContact CD2-CE1 3.67Å; Y252-Y293 AromaticContact CD2-CG 3.54Å; Y252-Y293 HydrophobicContact CD2-CG 3.54Å; Y252-Y293 HydrophobicContact CE1-CE1 4.36Å; Y252-Y293 AromaticContact CE2-CD1 3.52Å; Y252-Y293 HydrophobicContact CE2-CD1 3.52Å; Y252-Y293 HydrophobicContact CE2-CE1 4.11Å; Y252-Y293 HydrophobicContact CE2-CG 4.26Å; Y252-Y293 AromaticContact CG-CD1 3.52Å; Y252-Y293 HydrophobicContact CG-CD1 3.52Å; Y252-Y293 HydrophobicContact CG-CD2 4.48Å; Y252-Y293 AromaticContact CG-CE1 3.55Å; Y252-Y293 HydrophobicContact CG-CE1 3.55Å; Y252-Y293 HydrophobicContact CG-CG 4Å; A289-Y293 PolarHBondContact O-N 2.92Å; N291-Y293 VanDerWaalsContact C-N 3.34Å; N291-Y293 PolarHBondContact O-N 3.35Å; Y293-D295 PolarHBondContact O-N 3.33Å; Y293-V296 PolarHBondContact O-N 3.47Å; Y293-M297 HydrophobicContact CD1-CG 4.05Å; Y293-M297 HydrophobicContact CE1-CG 3.64Å; Y293-M297 HydrophobicContact CE2-CG 4.16Å; Y293-M297 HydrophobicContact CE2-SD 4.42Å; Y293-M297 HydrophobicContact CG-CG 4.5Å; Y293-M297 WeakPolarHBondContact O-CG 3.46Å; Y293-M297 PolarHBondContact O-N 3.23Å
294K85.3Confident75.4Confident87 Ų8774.6 Ų74.638%0.37842%0.416SS..Hα-helixtrans-59.6-37.3178.5-67.6167.3-168.4163.80111.9Y252 V290 N291 M297 A298Y252-K294 HydrophobicContact CE2-CG 4.27Å; Y252-K294 WeakPolarHBondContact OH-CE 3.41Å; V290-K294 VanDerWaalsContact CG1-NZ 3.29Å; V290-K294 WeakPolarHBondContact O-CG 3.43Å; V290-K294 PolarHBondContact O-N 2.92Å; N291-K294 PolarHBondContact O-N 2.93Å; N291-K294 PolarHBondContact OD1-NZ 3.04Å; N291-K294 VanDerWaalsContact OD1-NZ 3.14Å; K294-M297 PolarHBondContact O-N 3.3Å; K294-A298 WeakPolarHBondContact O-CB 3.46Å; K294-A298 PolarHBondContact O-N 2.98Å
295D82.7Confident72.4Confident79 Ų7972.9 Ų72.942%0.42242%0.422SS..Hα-helixtrans-68.6-39.1177.6-10440.1000113N291 A292 Y293 A298 R299N291-D295 WeakPolarHBondContact O-CB 3.38Å; N291-D295 PolarHBondContact O-N 3.3Å; A292-D295 PolarHBondContact O-N 3.01Å; Y293-D295 PolarHBondContact O-N 3.33Å; D295-A298 PolarHBondContact O-N 2.83Å; D295-R299 WeakPolarHBondContact O-CB 3.49Å; D295-R299 WeakPolarHBondContact O-CD 3.24Å; D295-R299 WeakPolarHBondContact O-CG 3.22Å; D295-R299 PolarHBondContact O-N 3.32Å; D295-R299 PolarHBondContact O-NE 3.32Å; D295-R299 IonicContact OD2-CZ 3.2Å; D295-R299 IonicContact OD2-NE 2.68Å; D295-R299 IonicContact OD2-NH2 2.76Å; D295-R299 PolarHBondContact OD2-NH2 2.89Å
296V78.1Confident69.9Low41 Ų4180.2 Ų80.225%0.24845%0.446CS..Hα-helixtrans-67-44.4173.21720000110.4L232 I236 A292 Y293 A298 R299 G300L232-V296 HydrophobicContact CD2-CB 4.25Å; L232-V296 HydrophobicContact CD2-CG1 4.5Å; L232-V296 HydrophobicContact CD2-CG2 4.14Å; I236-V296 HydrophobicContact CD1-CG2 3.98Å; I236-V296 HydrophobicContact CG1-CG2 4.2Å; A292-V296 WeakPolarHBondContact O-CG2 3.29Å; A292-V296 PolarHBondContact O-N 3.2Å; Y293-V296 PolarHBondContact O-N 3.47Å; V296-A298 VanDerWaalsContact C-N 3.33Å; V296-A298 PolarHBondContact O-N 3.01Å; V296-R299 PolarHBondContact O-N 3.01Å; V296-G300 PolarHBondContact O-N 2.85Å
297M72.4Confident68Low76 Ų7685 Ų8537%0.37448%0.477SS..Hα-helixtrans-60.3-40.1174.6-70-59.8-68.200112.4P244 Y293 K294 G300P244-M297 HydrophobicContact CB-SD 4.14Å; P244-M297 HydrophobicContact CG-CE 3.99Å; P244-M297 HydrophobicContact CG-SD 3.7Å; Y293-M297 HydrophobicContact CD1-CG 4.05Å; Y293-M297 HydrophobicContact CE1-CG 3.64Å; Y293-M297 HydrophobicContact CE2-CG 4.16Å; Y293-M297 HydrophobicContact CE2-SD 4.42Å; Y293-M297 HydrophobicContact CG-CG 4.5Å; Y293-M297 WeakPolarHBondContact O-CG 3.46Å; Y293-M297 PolarHBondContact O-N 3.23Å; K294-M297 PolarHBondContact O-N 3.3Å; M297-G300 PolarHBondContact O-N 2.76Å
298A71.8Confident65Low54 Ų5494.1 Ų94.145%0.44651%0.507SS..Hα-helixtrans-62.9-46.1174.300000111.7K294 D295 V296 G300 T301K294-A298 WeakPolarHBondContact O-CB 3.46Å; K294-A298 PolarHBondContact O-N 2.98Å; D295-A298 PolarHBondContact O-N 2.83Å; V296-A298 VanDerWaalsContact C-N 3.33Å; V296-A298 PolarHBondContact O-N 3.01Å; A298-G300 VanDerWaalsContact C-N 3.33Å; A298-G300 PolarHBondContact O-N 3.06Å; A298-T301 PolarHBondContact O-N 2.88Å; A298-T301 VanDerWaalsContact O-N 3.13Å; A298-T301 PolarHBondContact O-OG1 3.36Å
299R65.4Low62.2Low155 Ų15593.3 Ų93.359%0.58551%0.511SS*.Hα-helixtrans-62.7-36.5179.1-70163-147.2-134.24.5112.7D295 V296 T301 C302D295-R299 WeakPolarHBondContact O-CB 3.49Å; D295-R299 WeakPolarHBondContact O-CD 3.24Å; D295-R299 WeakPolarHBondContact O-CG 3.22Å; D295-R299 PolarHBondContact O-N 3.32Å; D295-R299 PolarHBondContact O-NE 3.32Å; D295-R299 IonicContact OD2-CZ 3.2Å; D295-R299 IonicContact OD2-NE 2.68Å; D295-R299 IonicContact OD2-NH2 2.76Å; D295-R299 PolarHBondContact OD2-NH2 2.89Å; V296-R299 PolarHBondContact O-N 3.01Å; R299-T301 PolarHBondContact O-N 2.98Å; R299-C302 PolarHBondContact O-N 3.17Å; R299-C302 PolarHBondContact O-SG 3.1Å
300G57.3Low59.5Low51 Ų51103 Ų10353%0.52655%0.553SS.*Hα-helixtrans-58.9-29.4174.600000113.8V296 M297 A298V296-G300 PolarHBondContact O-N 2.85Å; M297-G300 PolarHBondContact O-N 2.76Å; A298-G300 VanDerWaalsContact C-N 3.33Å; A298-G300 PolarHBondContact O-N 3.06Å
301T47.9Very low56.6Low120 Ų120107.7 Ų107.774%0.73659%0.586SS**Hα-helixtrans-86.1-15.8-177650000115.2A298 R299A298-T301 PolarHBondContact O-N 2.88Å; A298-T301 VanDerWaalsContact O-N 3.13Å; A298-T301 PolarHBondContact O-OG1 3.36Å; R299-T301 PolarHBondContact O-N 2.98Å
302C43Very low53.9Low88 Ų88112.7 Ų112.760%0.59561%0.607SS**SBendtrans-97.71.1-170.761.80000116.1R299 L304R299-C302 PolarHBondContact O-N 3.17Å; R299-C302 PolarHBondContact O-SG 3.1Å; C302-L304 VanDerWaalsContact C-N 3.32Å; C302-L304 PolarHBondContact O-N 2.93Å
303N42.8Very low51Low144 Ų144119 Ų11977%0.7763%0.628SS**SBendtrans-82.22.2-178-80-15000115.4
304L38.4Very low48.3Very low176 Ų176124.3 Ų124.392%0.92166%0.663SS**SBendtrans-106.364.9179-163.770.3000112.7C302C302-L304 VanDerWaalsContact C-N 3.32Å; C302-L304 PolarHBondContact O-N 2.93Å
305G30.2Very low45.5Very low67 Ų67126 Ų12669%0.69168%0.681SS**  trans172.3105.1172.200000117.5
306R38.7Very low42.9Very low242 Ų242126.5 Ų126.591%0.91369%0.691SS**  trans-160165.3167.1-114.9-158.7160.4-166.8-2.3108.9
307P52.9Low40.6Very low102 Ų102133.8 Ų133.866%0.66272%0.722SS**  cis-137-168.77.343-25000116.2
308R30.1Very low38.3Very low235 Ų235135 Ų13589%0.88774%0.738SS**  trans75149.4164.9-101.2179.6159.6119.5-4.3116.5
309S31.6Very low35.9Very low104 Ų104141.1 Ų141.173%0.72776%0.76SS**  cis-132.3175.18.8-81.70000113.9
310K32.6Very low34.1Very low207 Ų207139.3 Ų139.390%0.977%0.771SS**  trans-108.4-179169-102.8-167.2175.4-168.40110.4
311S28.2Very low32.6Very low100 Ų100141.7 Ų141.770%0.69978%0.779SS**  trans81.2131-171.3-69.60000113.4
312E29.9Very low31.6Very low173 Ų173142 Ų14281%0.80878%0.781SS**  cis-147.2-171.93.3-129.5135.3-114.600112.4
313E26.9Very low30.9Very low176 Ų176144.6 Ų144.682%0.82279%0.789SS**  trans-67.4167.9-174.6-70.9175.2104.900113
314V27.9Very low30.1Very low134 Ų134149 Ų14981%0.81280%0.795SS**  cis-15015746-174.20000113.3
315T27.3Very low29.8Very low122 Ų122151.4 Ų151.475%0.74879%0.792SS**  trans-56.6163.7167.525.70000114.5
316S27.2Very low29.8Very low90 Ų90157.2 Ų157.263%0.62980%0.798SS**  cis-169.3148.9-2.741.70000111
317Q29.3Very low29.4Very low193 Ų193153.6 Ų153.690%0.90280%0.795SS**  trans64.2149.5162.1-65.3172.310.800116.9
318S24.1Very low28.4Very low102 Ų102155.6 Ų155.671%0.71379%0.793SS**  cis-157.4127.2-20.1178.20000108.2
319M23.1Very low28.4Very low183 Ų183150.1 Ų150.190%0.90179%0.791SS**  trans-149.4134.6172.7-92.6-66.5107.200110.5
320S28Very low28.4Very low117 Ų117153 Ų15382%0.81879%0.787SS**  trans-120.7109.1-178.848.90000111.6
321S25.5Very low28.6Very low101 Ų101150.4 Ų150.471%0.70678%0.778SS**  trans-156.4136167.954.10000111.8
322T26.8Very low29.1Very low125 Ų125154.1 Ų154.177%0.76779%0.789SS**  trans37.9135.5150.553.70000120.1
323N26.6Very low29.7Very low144 Ų144152.4 Ų152.477%0.7778%0.784SS**  cis-169.6133.628.7-146.5-32.7000112.1
324R27.5Very low30.1Very low236 Ų236149.9 Ų149.989%0.89178%0.776SS**  trans-146.694.7161.5-86.8-155.7174.4-1560.5114.7K326R324-K326 PolarHBondContact O-N 3.47Å
325R31Very low30.6Very low226 Ų226151 Ų15185%0.85378%0.777SS**  trans43.572.6131.4-56.3-177.5-171.7171.72.3118.7
326K30.1Very low31.1Very low190 Ų190149.6 Ų149.683%0.82677%0.771SS**  32.395.3118.4-163.4175.3-165.6170.30117.1R324R324-K326 PolarHBondContact O-N 3.47Å
327I30Very low31.5Very low166 Ų166149.4 Ų149.485%0.85178%0.775SS**  trans-99.5145.2147.7-66.9174.4000107.2
328K33.3Very low31.7Very low144 Ų144148.6 Ų148.663%0.62678%0.776SS**  trans-92.5114.2178.2-63.7-179.8178.7-1770110.5Y330K328-Y330 HydrophobicContact CB-CD2 4.44Å; K328-Y330 HydrophobicContact CB-CE2 4.12Å; K328-Y330 HydrophobicContact CD-CE2 3.79Å; K328-Y330 PolarHBondContact NZ-OH 2.95Å
329S29.2Very low31.9Very low120 Ų120150.5 Ų150.584%0.83978%0.779SS**  trans-96.5147.8147.251.80000108.5
330Y33Very low32.2Very low164 Ų164147.3 Ų147.364%0.64378%0.775SS**  trans-109.2129.2179.4-84.4-91.4000110.2K328K328-Y330 HydrophobicContact CB-CD2 4.44Å; K328-Y330 HydrophobicContact CB-CE2 4.12Å; K328-Y330 HydrophobicContact CD-CE2 3.79Å; K328-Y330 PolarHBondContact NZ-OH 2.95Å
331H36.7Very low32.6Very low152 Ų152146.7 Ų146.770%0.70477%0.768SS**  trans51.5105.5162.2-56.7-64.5000119.7
332L37.4Very low32.7Very low178 Ų178149.8 Ų149.893%0.93277%0.771SS**PPolyproline II helix-103.9153.6114.4-84.4167000108.3
333I43.8Very low32.8Very low137 Ų137151 Ų15170%0.70378%0.779SS**PPolyproline II helixtrans-98120.7175.8-59.3174.8000107.5L335I333-L335 HydrophobicContact CG2-CD2 3.97Å; I333-L335 HydrophobicContact CG2-CG 4.23Å
334D34.8Very low32.8Very low124 Ų124150.3 Ų150.366%0.66377%0.771SS**PPolyproline II helixtrans-96.2133.5167.4-178.817.1000109.2S336D334-S336 WeakPolarHBondContact OD1-CB 3.29Å; D334-S336 PolarHBondContact OD1-N 3.44Å; D334-S336 PolarHBondContact OD1-OG 2.74Å; D334-S336 WeakPolarHBondContact OD2-CB 3.37Å; D334-S336 PolarHBondContact OD2-OG 2.73Å
335L37.8Very low32.7Very low158 Ų158149.6 Ų149.683%0.82777%0.768SS**  trans-108.925.4179.7-66.3177.2000111.9I333 A337I333-L335 HydrophobicContact CG2-CD2 3.97Å; I333-L335 HydrophobicContact CG2-CG 4.23Å; L335-A337 PolarHBondContact O-N 3.41Å
336S37.4Very low32.5Very low91 Ų91146.8 Ų146.864%0.63676%0.762SS**  trans-66-7.5176.359.80000115.4D334D334-S336 WeakPolarHBondContact OD1-CB 3.29Å; D334-S336 PolarHBondContact OD1-N 3.44Å; D334-S336 PolarHBondContact OD1-OG 2.74Å; D334-S336 WeakPolarHBondContact OD2-CB 3.37Å; D334-S336 PolarHBondContact OD2-OG 2.73Å
337A37Very low32.2Very low86 Ų86141 Ų14171%0.71175%0.749SS**  trans-104.777.2-175.700000113.3L335L335-A337 PolarHBondContact O-N 3.41Å
338L32.8Very low32Very low176 Ų176138.8 Ų138.892%0.92174%0.739SS**SBendtrans-174.861.5145.9-104.2176.1000113.9
339D28.2Very low31.7Very low142 Ų142137.7 Ų137.776%0.75975%0.75SS**  trans-150.2133.4148.9-16713.1000112.3
340S28.7Very low31.4Very low117 Ų117137.7 Ų137.782%0.81875%0.75SS**  trans-178.3115.8163.5-83.30000109.2
341P37.4Very low31Very low104 Ų104135.8 Ų135.868%0.67576%0.76SS**  trans-102172-169.139-38.1000115.4
342Q27.7Very low30.3Very low165 Ų165135.9 Ų135.977%0.77176%0.761SS**  trans74.9119.7163.5-53-168.99.900120.1
343T27.7Very low29.6Very low152 Ų152134.8 Ų134.893%0.93375%0.749SS**  -153.1166.2107.95.30000110.4
344Q26.9Very low28.6Very low129 Ų129135.9 Ų135.960%0.60375%0.751SS**  trans-115.4168-155.9-60.4178.4-26.600116.3
345R26.5Very low28.1Very low221 Ų221134.9 Ų134.983%0.83475%0.754SS**  trans91.8148.2158.6-55128.3-161.2-159.86.2115.2
346K25.7Very low27.4Very low166 Ų166132.5 Ų132.572%0.72275%0.751SS**  cis-140177.33-155-119.6169.8-174.90112.1D348K346-D348 IonicContact NZ-OD2 2.69Å; K346-D348 PolarHBondContact NZ-OD2 3.35Å
347A24.7Very low26.9Very low68 Ų68133.6 Ų133.656%0.56276%0.758SS**  trans-68.3174.6169.600000112.4
348D25Very low27Very low120 Ų120135 Ų13564%0.64276%0.76SS**  cis-156.9174.143.2-91.7-58.6000115.4K346K346-D348 IonicContact NZ-OD2 2.69Å; K346-D348 PolarHBondContact NZ-OD2 3.35Å
349S27.4Very low26.6Very low122 Ų122131.4 Ų131.485%0.85375%0.745SS**  trans84.4159.3161.578.60000118.5
350S23Very low26.4Very low120 Ų120134.5 Ų134.584%0.83975%0.752SS**  trans-157.6151.9-160.254.50000111.8
351S24.5Very low26.1Very low123 Ų123136.9 Ų136.986%0.8675%0.75SS**  trans-146.5160.4168.754.50000111.7
352Q22.9Very low25.5Very low154 Ų154135.6 Ų135.672%0.7274%0.744SS**  trans-106.7152.3-173.7-59.3155.6-89.500110.6
353F22.6Very low25.2Very low156 Ų156135.3 Ų135.368%0.68474%0.742SS**  167.5144.6103.5-95.9-70.9000115
354E23Very low25.1Very low160 Ų160134.3 Ų134.375%0.74873%0.73SS**  trans29.5123.7147.8-77.7156-155.600124.3
355S22.4Very low25Very low103 Ų103136 Ų13672%0.7274%0.738SS**  33126.6118.1-168.70000120.3
356S23.8Very low24.7Very low108 Ų108132.5 Ų132.576%0.75574%0.736SS**  174.9149.898.8-70.70000113.9
357S27.9Very low24.5Very low113 Ų113128.7 Ų128.779%0.7973%0.73SS**  trans-107.5174.2154.9-41.20000107.9
358P37.5Very low24.4Very low116 Ų116134.7 Ų134.775%0.75374%0.744SS**  -161.3-168.867.345.8-22.8000117.5
359V25.2Very low24.4Very low101 Ų101138.5 Ų138.561%0.61276%0.755SS**  trans8.3149.8164.9-125.70000123.1
360F24Very low24.3Very low207 Ų207138.7 Ų138.791%0.90875%0.754SS**  -150.2179117.5-104.2-64000112.9
361H22.8Very low24.3Very low166 Ų166137.3 Ų137.377%0.76975%0.749SS**  trans-116.2-176-150.3-108.7-92.2000116.8
362S23.4Very low24.8Very low78 Ų78136.7 Ų136.755%0.54574%0.743SS.*  trans-94.5-177.8-172.649.40000116
363H23.3Very low24.7Very low159 Ų159137 Ų13774%0.73674%0.744SS**  trans84156.6169.9-57.5-77000118
364L25.2Very low24.8Very low130 Ų130136.5 Ų136.568%0.68174%0.744SS**  cis-166.7158.1-37.7-112.3-179.2000109.6
365E23.4Very low24.7Very low164 Ų164135 Ų13577%0.76674%0.741SS**  trans64.7162.6150-89.6160.9157.400124.5
366D21.9Very low24.7Very low149 Ų149139 Ų13980%0.79775%0.745SS**  trans68140.6168.8-89.2-24.4000120.5
367S21.6Very low24.6Very low85 Ų85141.7 Ų141.759%0.59475%0.746SS**  cis-165.6-174.9-11.9-140.60000113.4
368F22.6Very low24.3Very low195 Ų195144 Ų14486%0.85574%0.742SS**  trans81.4126.8165-63.3-75.7000122.3
369F23.6Very low23.6Very low200 Ų200142.6 Ų142.688%0.87774%0.74SS**  trans-99.1162.3148.6-77.5-87.6000109.5
370P25.8Very low23.5Very low126 Ų126144 Ų14482%0.81874%0.744SS**  -146.6166.599.240-25.2000115.8
371A23.3Very low23.5Very low90 Ų90140.7 Ų140.774%0.74474%0.735SS**  trans-100.6-176.815900000108.9
372P33.8Very low23.5Very low111 Ų111139.1 Ų139.172%0.72173%0.733SS**  cis-149.3-158.848.831.9-4000115.4
373E22.2Very low23.5Very low160 Ų160140.3 Ų140.375%0.74874%0.737SS**  trans76.3146.1162.7-50.4-152119.500117
374Q23.9Very low23.5Very low146 Ų146142.6 Ų142.668%0.68275%0.745SS**  cis-166.6157.7-7.7-110.2179.539.100105.9
375D21.8Very low23.5Very low127 Ų127144.5 Ų144.568%0.67975%0.75SS**  cis-166.1-156.7-12.8-150.4-93.4000109.6
376F22.5Very low23.5Very low187 Ų187145 Ų14582%0.8276%0.756SS**  trans83.794.9163.1-63.3-72.1000121.6
377E20.9Very low23.6Very low165 Ų165146 Ų14677%0.77176%0.756SS**  trans-77.8-177.8135.8-56.1-173.6123.900109.7
378F21.9Very low23.8Very low162 Ų162151 Ų15171%0.71177%0.77SS**  cis-165-177.829.3-161.8-94.2000111.7D380F378-D380 HydrophobicContact CE1-CB 4.27Å
379A23.2Very low23.9Very low86 Ų86148.8 Ų148.871%0.71177%0.767SS**  trans81.5103.8168.100000116.5
380D23.1Very low24.4Very low131 Ų131144.9 Ų144.970%0.70176%0.762SS**  cis84.4152.626.1-153.915.5000115.9F378F378-D380 HydrophobicContact CE1-CB 4.27Å
381L23.1Very low24.4Very low137 Ų137148.4 Ų148.472%0.71776%0.764SS**  trans72.3140.4-177-83.482.4000118
382D22.6Very low24.8Very low134 Ų134146.6 Ų146.672%0.71775%0.746SS**  cis-156.6164.4-12.9-158.20.4000113.3
383T22.9Very low24.9Very low103 Ų103149.8 Ų149.863%0.63275%0.745SS**  trans-44142.9174.3-47.20000117.6
384K24.4Very low25.4Very low207 Ų207148.2 Ų148.290%0.973%0.733SS**  trans-154.3130136.5-118.3157.8-169.3164.80114.4
385Q25.1Very low26Very low170 Ų170146.6 Ų146.679%0.79473%0.726SS**  trans-84.7143174.2-60.6171-1200111.2
386I24Very low26.9Very low175 Ų175147.3 Ų147.390%0.89773%0.725SS**  trans-136.4141.3142.9-63.9-172.5000107.8
387Q23.4Very low28Very low169 Ų169143 Ų14379%0.7971%0.71SS**  trans-118.3133.9-168.9173.5-176.20.500111.2
388Q26.2Very low28.8Very low191 Ų191140.9 Ų140.989%0.89370%0.702SS**  trans-137.7109.4158.7-73.4-155.97.100113.3
389N24.7Very low29.6Very low148 Ų148140 Ų14079%0.79170%0.699SS**  trans26124.6148.6-126.74.2000121.4
390P33.3Very low30.5Very low118 Ų118141.5 Ų141.577%0.76670%0.695SS**  trans-83.1140.1172.434.2-33.4000112.9
391K26.3Very low31Very low200 Ų200143 Ų14387%0.8770%0.703SS**  trans-113.3102.2162.4-83.3-166.3172.6-170.80111.6Y393K391-Y393 PolarHBondContact O-N 3.36Å
392S32.3Very low31.5Very low52 Ų52146.1 Ų146.136%0.36471%0.71SS.*  trans44.275138.3-158.40000118.7Y394 E395S392-Y394 PolarHBondContact O-N 2.85Å; S392-E395 WeakPolarHBondContact CB-OE2 3.4Å; S392-E395 PolarHBondContact O-N 2.71Å; S392-E395 VanDerWaalsContact O-N 3.09Å; S392-E395 PolarHBondContact OG-N 3.45Å; S392-E395 PolarHBondContact OG-OE2 2.88Å; S392-E395 VanDerWaalsContact OG-OE2 3.04Å
393Y36Very low32.1Very low178 Ų178142.4 Ų142.470%0.69870%0.703SS**Hα-helixtrans-53.6-15.9155.8174.1-112.3000113.2K391 L397K391-Y393 PolarHBondContact O-N 3.36Å; Y393-L397 HydrophobicContact CD1-CD1 4.25Å; Y393-L397 HydrophobicContact CE1-CD1 3.78Å
394Y32.4Very low32.4Very low126 Ų126147.2 Ų147.249%0.49472%0.716SS.*Hα-helixtrans-74.8-21.9177-169.5-87.9000113.5S392 M398 K543S392-Y394 PolarHBondContact O-N 2.85Å; Y394-M398 HydrophobicContact CD1-CG 4.33Å; Y394-M398 HydrophobicContact CE1-CG 3.94Å; Y394-M398 HydrophobicContact CE1-SD 4.27Å; Y394-M398 WeakPolarHBondContact O-CG 3.45Å; Y394-K543 PolarHBondContact OH-NZ 2.9Å
395E35.1Very low32.7Very low113 Ų113146.2 Ų146.253%0.52871%0.714SS.*Hα-helixtrans-79-40.1-177.7-90.8167.4114.800113.7S392 L397 M398S392-E395 WeakPolarHBondContact CB-OE2 3.4Å; S392-E395 PolarHBondContact O-N 2.71Å; S392-E395 VanDerWaalsContact O-N 3.09Å; S392-E395 PolarHBondContact OG-N 3.45Å; S392-E395 PolarHBondContact OG-OE2 2.88Å; S392-E395 VanDerWaalsContact OG-OE2 3.04Å; E395-L397 VanDerWaalsContact C-N 3.3Å; E395-L397 PolarHBondContact O-N 2.91Å; E395-M398 PolarHBondContact O-N 2.88Å
396E42.4Very low33Very low141 Ų141146.2 Ų146.266%0.65972%0.717SS**Hα-helixtrans-60.9-39.5175.7-72.8-174127.200112M398 Q399E396-M398 PolarHBondContact O-N 3.5Å; E396-Q399 PolarHBondContact O-N 3.43Å
397L44.9Very low33.4Very low97 Ų97144.5 Ų144.551%0.50872%0.715SS.*THydrogen-bonded Turntrans-67.7-15.1-179.1-65.1176.9000113.8Y393 E395Y393-L397 HydrophobicContact CD1-CD1 4.25Å; Y393-L397 HydrophobicContact CE1-CD1 3.78Å; E395-L397 VanDerWaalsContact C-N 3.3Å; E395-L397 PolarHBondContact O-N 2.91Å
398M37.4Very low33.5Very low121 Ų121144.9 Ų144.960%0.59672%0.722SS**THydrogen-bonded Turntrans-92.4-5.9177.5-70.5-66.1-5300113.6Y394 E395 E396Y394-M398 HydrophobicContact CD1-CG 4.33Å; Y394-M398 HydrophobicContact CE1-CG 3.94Å; Y394-M398 HydrophobicContact CE1-SD 4.27Å; Y394-M398 WeakPolarHBondContact O-CG 3.45Å; E395-M398 PolarHBondContact O-N 2.88Å; E396-M398 PolarHBondContact O-N 3.5Å
399Q39.7Very low33.4Very low142 Ų142139.6 Ų139.666%0.66472%0.718SS**SBendtrans-97.3-6.6-173.6-103136.856.600115.4E396 D401E396-Q399 PolarHBondContact O-N 3.43Å; Q399-D401 VanDerWaalsContact C-N 3.33Å; Q399-D401 PolarHBondContact O-N 3.1Å
400I40.4Very low33.6Very low119 Ų119140 Ų14061%0.6172%0.721SS**G310 helixtrans-71.8-26.1-178-64.5170.1000112.5K402 G403I400-K402 PolarHBondContact O-N 3.24Å; I400-G403 PolarHBondContact O-N 3.09Å
401D34.7Very low33.4Very low163 Ų163142.1 Ų142.187%0.87272%0.72SS**G310 helixtrans-65.9-4-175.4-155.647.2000114.6Q399Q399-D401 VanDerWaalsContact C-N 3.33Å; Q399-D401 PolarHBondContact O-N 3.1Å
402K34.1Very low33.5Very low202 Ų202140.4 Ų140.488%0.87872%0.72SS**G310 helixtrans-107.30.9-179.8-125.1176.4-176.2178.90115.2I400I400-K402 PolarHBondContact O-N 3.24Å
403G33.8Very low33.2Very low55 Ų55141.7 Ų141.757%0.56774%0.742SS**SBendtrans-88.3-26.8-177.700000115.6I400 Q405I400-G403 PolarHBondContact O-N 3.09Å; G403-Q405 VanDerWaalsContact C-N 3.32Å; G403-Q405 PolarHBondContact O-N 3.02Å; G403-Q405 VanDerWaalsContact O-N 3.1Å
404F29.5Very low32.7Very low204 Ų204136.9 Ų136.990%0.89575%0.747SS**THydrogen-bonded Turntrans-89.238.9-164.2-101.7-83.4000115.6
405Q31.6Very low32.4Very low186 Ų186142.8 Ų142.887%0.86977%0.768SS**THydrogen-bonded Turntrans-140.927.6174.3-145.4171.59000114.8G403G403-Q405 VanDerWaalsContact C-N 3.32Å; G403-Q405 PolarHBondContact O-N 3.02Å; G403-Q405 VanDerWaalsContact O-N 3.1Å
406M31.7Very low31.9Very low171 Ų171145.7 Ų145.784%0.84278%0.781SS**SBendtrans-144.489.5169.3-82.8-67.2177.200111.5
407T30.6Very low31.1Very low139 Ų139146.9 Ų146.985%0.85379%0.791SS**SBendtrans168.686.8143.536.90000111.6
408N26Very low30.1Very low177 Ų177150.8 Ų150.895%0.94780%0.804SS**  trans177.2111.8145.7-94.1-20.3000107.9
409G25.3Very low29.5Very low79 Ų79153.1 Ų153.181%0.81482%0.818SS**  trans169.611.1-170.600000118
410N27.4Very low28.8Very low157 Ų157157.3 Ų157.384%0.8483%0.828SS**  trans-99.5134.8159.2-104.2-5.9000106.3
411Q29.4Very low28.1Very low163 Ų163156.6 Ų156.676%0.76284%0.839SS**  cis-144.7143.816.5-48.8166.128.100110.1
412N28.4Very low27.6Very low163 Ų163159.7 Ų159.787%0.87284%0.839SS**  -178154121.5-99.2-32.7000113.3
413G27Very low27.2Very low80 Ų80153.2 Ų153.283%0.82583%0.83SS**  trans-67.7141-17100000114.5
414G24.5Very low27Very low76 Ų76157 Ų15778%0.78485%0.846SS**  trans-87.1165.9179.100000114.6
415R26.1Very low26.8Very low250 Ų250156.2 Ų156.294%0.94385%0.845SS**  trans-134.6141150.5-85-173.8170.4178.2-2.6108.2
416E24.5Very low26.7Very low174 Ų174151 Ų15181%0.81384%0.842SS**  trans-65.5151.4169.1-60.4176.5105.900110.7
417I26.9Very low26.4Very low166 Ų166150 Ų15085%0.85184%0.84SS**  trans-159.8133.2137.3-101.2148.6000107.4
418F22.8Very low26.1Very low179 Ų179149.1 Ų149.179%0.78583%0.83SS**  trans-65.1147.5169.1-85.3-121.9000109.9
419L24.5Very low26Very low170 Ų170147 Ų14789%0.8982%0.818SS**  -168.7137.2119.4-102.9163.5000112.7A421L419-A421 PolarHBondContact O-N 3.26Å
420R26.1Very low26Very low230 Ų230148.6 Ų148.687%0.86882%0.817SS**  trans-76.7108.7174.4173.3-170.8-75.9174.9-7109.1R422R420-R422 PolarHBondContact O-N 3.45Å
421A25.2Very low26.1Very low104 Ų104146 Ų14686%0.8681%0.811SS**  trans-65.7127.8169.200000110.2L419L419-A421 PolarHBondContact O-N 3.26Å
422R24.5Very low25.9Very low228 Ų228146 Ų14686%0.8682%0.816SS**  trans-104.9126-176.4-172.8-176.1-167165.72.4108.4R420R420-R422 PolarHBondContact O-N 3.45Å
423G26.2Very low25.7Very low67 Ų67141.3 Ų141.369%0.69181%0.807SS**  trans-65.6138167.600000110.2
424C28Very low25.6Very low133 Ų133143.5 Ų143.590%0.89980%0.804SS**  trans-90.8106.7173.9-64.90000109.4
425E26.1Very low25.7Very low188 Ų188146.6 Ų146.688%0.87980%0.803SS**PPolyproline II helixtrans-74.9157.8166-70.1174.4114.400110.9
426G29Very low25.5Very low78 Ų78140.7 Ų140.780%0.80480%0.795SS**PPolyproline II helixtrans-90.1130.2172.200000111.9
427N25.4Very low25.5Very low149 Ų149143.1 Ų143.180%0.79780%0.797SS**PPolyproline II helixtrans-56.4156165.8-56.8-9000110.7
428N25.8Very low25.4Very low120 Ų120140.1 Ų140.164%0.64279%0.79SS**  cis-165.9175.30.6-128.935.7000112.4
429D23.9Very low25.3Very low133 Ų133138.4 Ų138.471%0.71179%0.789SS**  trans61.4112.5150.2-60.5-37.2000119.5
430S24.5Very low25.2Very low112 Ų112135.6 Ų135.678%0.78378%0.784SS**  82.7129.876.8-1610000111.9
431S28.6Very low26Very low102 Ų102129.9 Ų129.971%0.71378%0.776SS**  cis-161163.842.146.70000114.4
432D26.3Very low25.9Very low164 Ų164131.2 Ų131.288%0.87777%0.774SS**  trans-1.9153.8159.6-55.6-33.2000122.7
433G23.9Very low25.9Very low65 Ų65129.3 Ų129.367%0.6777%0.772SS**  trans151.562141.600000122.6
434T25.4Very low25.6Very low126 Ų126135.4 Ų135.477%0.77378%0.783SS**  trans54.3123.5143.245.20000123.7
435N26Very low25.4Very low140 Ų140138.5 Ų138.575%0.74978%0.781SS**  99.9133126.5-68.2-8.9000124.6
436T22.8Very low25.5Very low126 Ų126135.7 Ų135.777%0.77378%0.779SS**  trans69.79114844.30000122.8
437W23.7Very low25.2Very low226 Ų226135.6 Ų135.686%0.85678%0.778SS**  61111.7108.1-156.1-71.1000120.3
438S23.8Very low25Very low102 Ų102136 Ų13671%0.71378%0.78SS**  -164.2116.6126.5-85.40000115.3
439N22.3Very low24.7Very low143 Ų143139 Ų13977%0.76579%0.79SS**  trans75.3119.4141.7-57.4-12.6000122.4
440S22.3Very low24.7Very low111 Ų111137.6 Ų137.678%0.77679%0.79SS**  trans-151.3-169.6151.368.10000105.7
441P42.5Very low24.6Very low110 Ų110141.1 Ų141.171%0.71479%0.792SS**  cis-127.2-158-2340.1-23.2000110.3
442T22.2Very low24.2Very low133 Ų133145 Ų14582%0.81680%0.796SS**  176.7160.2118.8-72.80000111.8
443K24.4Very low24.2Very low188 Ų188145.3 Ų145.382%0.81779%0.792SS**  trans-104.8164.9-167.5-44.5165.3-177.1174.20112.3
444Q21.4Very low24.2Very low194 Ų194148.2 Ų148.291%0.90780%0.799SS**  -172.9155.2118.2-104.9166.4-4.500115.8
445F23Very low24Very low199 Ų199148.7 Ų148.787%0.87380%0.797SS**  trans-116156.8164.8-96.6-74.8000106.5
446P28.9Very low24Very low128 Ų128152.4 Ų152.483%0.83180%0.801SS**  -133.7-149.660.645.1-28.4000111.5
447G21.1Very low24Very low76 Ų76151.5 Ų151.578%0.78479%0.791SS**  cis-174.7-152.98.300000114
448L22.6Very low24Very low159 Ų159149.9 Ų149.983%0.83279%0.79SS**  trans-141.1134.8-173.7176.570.8000111
449E20.1Very low24.1Very low182 Ų182148.8 Ų148.885%0.8580%0.795SS**  173.7161.2127.5-96.6-172178.300112.8
450S22.7Very low24.2Very low103 Ų103147.2 Ų147.272%0.7280%0.795SS**  trans-99.4146.7-172.1-58.80000113
451F21.7Very low24.6Very low186 Ų186147.4 Ų147.482%0.81679%0.794SS**  trans-165.4137142.1-93.5-54.3000114.8
452K21.9Very low23.8Very low183 Ų183150.2 Ų150.280%0.79680%0.802SS**  trans57.3118.8147.5-62.2170-173.8174.20120.7
453Q26.1Very low23.9Very low171 Ų171151.2 Ų151.280%0.79980%0.801SS**  trans-75.6161.2150.2-66.9176.8-71.200111.6
454P23.9Very low23.9Very low127 Ų127150.5 Ų150.583%0.82581%0.805SS**  trans-121.4164.9131.336.2-30.1000112.7
455N21.3Very low24.1Very low135 Ų135149.4 Ų149.472%0.72280%0.8SS**  trans-100.5178-176.1-73.2-40.3000113.1
456R24.5Very low24.1Very low219 Ų219148.4 Ų148.483%0.82680%0.798SS**  trans98.9139.9155.4-58.7-164.5158.8160.60.3117.7
457D23.1Very low23.9Very low107 Ų107146.2 Ų146.257%0.57279%0.785SS**  cis-163166.2-12.5-108.5-19.9000113
458F24.7Very low24Very low191 Ų191153.9 Ų153.984%0.83879%0.791SS**  trans66122.4164-63.4-61.8000121
459G25.4Very low24.5Very low79 Ų79154.1 Ų154.181%0.81479%0.787SS**  trans172.339.3174.800000116.1
460S24.2Very low25.3Very low111 Ų111150.9 Ų150.978%0.77678%0.782SS**  trans-64.9154.9176.2-300000111.4
461P31.4Very low26.3Very low114 Ų114151.1 Ų151.174%0.7478%0.784SS**  -147.9-170.551.138.9-16.6000117.2
462L24.6Very low28Very low169 Ų169144.5 Ų144.589%0.88576%0.76SS**  trans77.7107.7169.2-54.8-177.2000117.3
463I24.9Very low30.3Very low154 Ų154138.3 Ų138.379%0.7974%0.739SS**  trans-87122.6170.4-62.7167000108.5Q465I463-Q465 HydrophobicContact CG2-CB 4.15Å
464L24.9Very low32.9Very low174 Ų174130.7 Ų130.791%0.91170%0.704SS**  trans-104.8121.1144.7-86.7170.2000107.2E466L464-E466 PolarHBondContact O-N 3.05Å
465Q24.5Very low35.4Very low171 Ų171132.8 Ų132.880%0.79970%0.7SS**  trans-82.597.4-169.9-175.9174.6-5.200109.8I463 S467I463-Q465 HydrophobicContact CG2-CB 4.15Å; Q465-S467 PolarHBondContact O-N 3.46Å
466E23.9Very low38.2Very low178 Ų178132.7 Ų132.783%0.83270%0.699SS**  trans-62.8100.5174.6-171.1175.1-135.400110.1L464 R468L464-E466 PolarHBondContact O-N 3.05Å; E466-R468 PolarHBondContact O-N 3.38Å
467S23.7Very low41.2Very low81 Ų81122.6 Ų122.657%0.56666%0.662SS**  trans-73.793.3-175.154.40000110.5Q465 H469Q465-S467 PolarHBondContact O-N 3.46Å; S467-H469 PolarHBondContact O-CD2 3.14Å; S467-H469 VanDerWaalsContact O-CD2 3.27Å; S467-H469 PolarHBondContact O-N 3.26Å
468R25Very low44.3Very low237 Ų237123.8 Ų123.889%0.89466%0.662SS**  trans-5697.1168.1-64.8-178.8-176.31731.3109.7E466E466-R468 PolarHBondContact O-N 3.38Å
469H31.2Very low47.4Very low164 Ų164115.3 Ų115.376%0.75963%0.626SS**PPolyproline II helixtrans-61.8132.2174.2-74-84.7000109.5S467S467-H469 PolarHBondContact O-CD2 3.14Å; S467-H469 VanDerWaalsContact O-CD2 3.27Å; S467-H469 PolarHBondContact O-N 3.26Å
470P38.6Very low50.3Low114 Ų114114.6 Ų114.674%0.7461%0.607SS**PPolyproline II helixtrans-65.8140.1177.127.6-33.9000110.1
471S42.7Very low53.3Low108 Ų108113.2 Ų113.276%0.75559%0.591SS**PPolyproline II helixtrans-53.8130.7171.9520000110.4S473S471-S473 PolarHBondContact O-N 3.11Å
472P57Low55.9Low48 Ų48117.2 Ų117.231%0.31260%0.599SS.*  trans-68.499.3-167.725.6-34.7000112.6L474 L546P472-L474 PolarHBondContact O-N 3.34Å; P472-L546 VanDerWaalsContact O-CD1 3.25Å; P472-L546 WeakPolarHBondContact O-CD1 3.43Å
473S71.6Confident58.9Low53 Ų53112.6 Ų112.637%0.37158%0.581SS.*  trans-69.4111.9167.8-179.70000109.5S471 K475 D476S471-S473 PolarHBondContact O-N 3.11Å; S473-K475 PolarHBondContact O-N 3.33Å; S473-K475 PolarHBondContact OG-N 3.34Å; S473-D476 WeakPolarHBondContact CB-OD2 3.48Å; S473-D476 PolarHBondContact OG-OD2 3.16Å
474L79.6Confident61.9Low10 Ų10106.9 Ų106.95%0.05255%0.552CS.*SBendtrans-73.2-15.9168.8-67.4-174.1000112.7P472 D476 I477 V517 L546 K548 L574 A576P472-L474 PolarHBondContact O-N 3.34Å; L474-D476 PolarHBondContact O-N 2.86Å; L474-I477 HydrophobicContact CD2-CD1 3.86Å; L474-I477 PolarHBondContact O-N 3.24Å; L474-V517 HydrophobicContact CD2-CB 4.45Å; L474-V517 HydrophobicContact CD2-CG1 3.74Å; L474-V517 HydrophobicContact CD2-CG2 3.79Å; L474-L546 HydrophobicContact CD1-CB 3.63Å; L474-L546 WeakPolarHBondContact CD1-O 3.26Å; L474-L546 HydrophobicContact CG-CB 4.09Å; L474-K548 HydrophobicContact CB-CB 3.96Å; L474-K548 HydrophobicContact CD1-CB 4.27Å; L474-K548 WeakPolarHBondContact O-CD 3.4Å; L474-L574 HydrophobicContact CD2-CB 4.49Å; L474-A576 HydrophobicContact CD1-CB 4.33Å; L474-A576 HydrophobicContact CD2-CB 4.05Å; L474-A576 HydrophobicContact CG-CB 4.32Å
475K75.8Confident64.7Low172 Ų172106.9 Ų106.975%0.74854%0.54SS*.THydrogen-bonded Turntrans-57.9-37.6-169.7-67.9-175.7176-178.60112.3S473 K548S473-K475 PolarHBondContact O-N 3.33Å; S473-K475 PolarHBondContact OG-N 3.34Å; K475-K548 PolarHBondContact O-NZ 3.27Å
476D80.1Confident67.5Low132 Ų132103.7 Ų103.771%0.70654%0.536SS*.THydrogen-bonded Turntrans-95.1-11.5-168.1-41.6-74.1000112S473 L474S473-D476 WeakPolarHBondContact CB-OD2 3.48Å; S473-D476 PolarHBondContact OG-OD2 3.16Å; L474-D476 PolarHBondContact O-N 2.86Å
477I87.4Confident70.5Confident7 Ų796.6 Ų96.64%0.03651%0.506CS..  trans-81121.2-179.1-49.4-179.5000110.3L474 V479 P511 H514 V517 K548 L574L474-I477 HydrophobicContact CD2-CD1 3.86Å; L474-I477 PolarHBondContact O-N 3.24Å; I477-V479 HydrophobicContact CG2-CG2 4.15Å; I477-P511 HydrophobicContact CG2-CB 4.06Å; I477-P511 HydrophobicContact CG2-CG 4.3Å; I477-H514 HydrophobicContact CD1-CB 4.12Å; I477-V517 HydrophobicContact CD1-CG2 4.02Å; I477-K548 PolarHBondContact O-NZ 3.46Å; I477-L574 HydrophobicContact CB-CD1 3.96Å; I477-L574 HydrophobicContact CG2-CD1 3.78Å
478F88.6Confident73.4Confident133 Ų133102.6 Ų102.658%0.58353%0.525SS*.  trans-121.4142.3169.2-174.2-92.5000109.1P480F478-P480 HydrophobicContact CD1-CG 4.19Å; F478-P480 HydrophobicContact CE1-CB 4.5Å; F478-P480 HydrophobicContact CE1-CG 4.03Å
479V89.9Confident76.4Confident13 Ų1393.3 Ų93.38%0.07949%0.493CS..  trans-134.9103-176.7-176.90000108.4I477 I484 P511 V519 Q550 L574I477-V479 HydrophobicContact CG2-CG2 4.15Å; V479-I484 HydrophobicContact CG1-CD1 4.01Å; V479-I484 HydrophobicContact CG1-CG1 3.72Å; V479-P511 HydrophobicContact CG2-CB 4.06Å; V479-P511 HydrophobicContact CG2-CG 4.14Å; V479-V519 HydrophobicContact CG1-CG1 4.49Å; V479-Q550 PolarHBondContact O-OE1 3.04Å; V479-L574 HydrophobicContact CB-CD2 4.49Å; V479-L574 HydrophobicContact CG2-CD1 4.47Å; V479-L574 HydrophobicContact CG2-CD2 3.84Å
480P87.8Confident79.1Confident63 Ų6393.7 Ų93.741%0.40950%0.495SS..  trans-59.4138.3177.4-21.932.3000111.3F478 E482 S483F478-P480 HydrophobicContact CD1-CG 4.19Å; F478-P480 HydrophobicContact CE1-CB 4.5Å; F478-P480 HydrophobicContact CE1-CG 4.03Å; P480-E482 PolarHBondContact O-N 3.01Å; P480-S483 WeakPolarHBondContact O-CB 3.28Å; P480-S483 PolarHBondContact O-N 3.19Å; P480-S483 PolarHBondContact O-OG 3.41Å
481L86.8Confident81.7Confident83 Ų8391.1 Ų91.144%0.43548%0.478SS..G310 helixtrans-56.4-37.6-176.4-173.663.7000112.5S483 I484 V521 V572L481-S483 PolarHBondContact O-N 2.97Å; L481-I484 HydrophobicContact CD1-CD1 4.33Å; L481-I484 WeakPolarHBondContact O-CB 3.15Å; L481-I484 PolarHBondContact O-N 3.11Å; L481-I484 VanDerWaalsContact O-N 3.12Å; L481-V521 HydrophobicContact CD1-CG1 3.94Å; L481-V521 HydrophobicContact CD1-CG2 4.12Å; L481-V572 HydrophobicContact CD1-CG2 4.22Å
482E86.2Confident84.2Confident198 Ų19887.7 Ų87.793%0.92545%0.451SS*.G310 helixtrans-61.3-25.5176.6-65.8162.3-145.900114.1P480 I484P480-E482 PolarHBondContact O-N 3.01Å; E482-I484 VanDerWaalsContact C-N 3.33Å
483S86.3Confident86Confident71 Ų7188.6 Ų88.650%0.49746%0.456SS..G310 helixtrans-81.7-12.317871.10000113.4P480 L481 R485P480-S483 WeakPolarHBondContact O-CB 3.28Å; P480-S483 PolarHBondContact O-N 3.19Å; P480-S483 PolarHBondContact O-OG 3.41Å; L481-S483 PolarHBondContact O-N 2.97Å; S483-R485 PolarHBondContact O-N 3.08Å
484I87.6Confident87.1Confident34 Ų3486.7 Ų86.717%0.17444%0.442CS..  trans-85.1109.3-172.4-58.2179.8000110.2V479 L481 E482 A507 V519 V521 V572V479-I484 HydrophobicContact CG1-CD1 4.01Å; V479-I484 HydrophobicContact CG1-CG1 3.72Å; L481-I484 HydrophobicContact CD1-CD1 4.33Å; L481-I484 WeakPolarHBondContact O-CB 3.15Å; L481-I484 PolarHBondContact O-N 3.11Å; L481-I484 VanDerWaalsContact O-N 3.12Å; E482-I484 VanDerWaalsContact C-N 3.33Å; I484-A507 HydrophobicContact CG2-CB 3.73Å; I484-V519 HydrophobicContact CD1-CG1 3.87Å; I484-V519 HydrophobicContact CG1-CG1 4.4Å; I484-V521 HydrophobicContact CD1-CG2 3.66Å; I484-V521 HydrophobicContact CG2-CG2 4.11Å; I484-V572 HydrophobicContact CD1-CB 4.4Å; I484-V572 HydrophobicContact CD1-CG1 3.73Å; I484-V572 HydrophobicContact CD1-CG2 3.71Å
485R85Confident87.8Confident175 Ų17587.2 Ų87.266%0.6644%0.443SS*.PPolyproline II helixtrans-81.7129.4169.3-68.8173.7171.1175-2110.1S483 A507 K508 D509S483-R485 PolarHBondContact O-N 3.08Å; R485-A507 CarbonylContact O-C 3.57Å; R485-A507 WeakPolarHBondContact O-CA 3.33Å; R485-K508 HydrophobicContact CB-CB 4.42Å; R485-K508 PolarHBondContact O-N 3.43Å; R485-D509 VanDerWaalsContact CD-OD2 3.29Å; R485-D509 WeakPolarHBondContact CD-OD2 3.37Å
486S82.2Confident88.7Confident103 Ų10384 Ų8472%0.7243%0.434SS*.BIsolated β-bridgetrans-64.7139.9175.344.10000111.8
487S87.3Confident89.3Confident29 Ų2981.5 Ų81.520%0.20342%0.424CS..PPolyproline II helixtrans-83.3173.3166.367.90000111.3L489 F506S487-L489 VanDerWaalsContact C-N 3.28Å; S487-L489 WeakPolarHBondContact OG-CB 3.32Å; S487-L489 PolarHBondContact OG-N 2.9Å; S487-F506 WeakPolarHBondContact CB-O 3.34Å; S487-F506 PolarHBondContact N-O 3Å; S487-F506 PolarHBondContact OG-O 3.45Å
488Q84.9Confident89.3Confident207 Ų20784.2 Ų84.297%0.96745%0.447SS*.SBendtrans-90.514.8168.4-67179-23.300112.5
489L88.1Confident89.4Confident42 Ų4279 Ų7922%0.2243%0.431CS..SBendtrans-77.5140.3177.6-64.8172.4000110.6S487 F506 P608 I612 L613S487-L489 VanDerWaalsContact C-N 3.28Å; S487-L489 WeakPolarHBondContact OG-CB 3.32Å; S487-L489 PolarHBondContact OG-N 2.9Å; L489-F506 HydrophobicContact CB-CB 4.36Å; L489-F506 HydrophobicContact CB-CD2 3.93Å; L489-F506 HydrophobicContact CD1-CB 3.87Å; L489-F506 HydrophobicContact CD1-CD2 4.2Å; L489-F506 HydrophobicContact CD1-CG 4.19Å; L489-P608 HydrophobicContact CD1-CB 4.07Å; L489-P608 HydrophobicContact CD1-CG 4.16Å; L489-P608 HydrophobicContact CD2-CB 4.11Å; L489-P608 HydrophobicContact CD2-CG 4.38Å; L489-I612 HydrophobicContact CD1-CG2 4.26Å; L489-I612 HydrophobicContact CD2-CG2 4.07Å; L489-L613 HydrophobicContact CD1-CD2 3.83Å
490E88.4Confident89.6Confident173 Ų17378.4 Ų78.481%0.80843%0.427SS*.PPolyproline II helixtrans-60.8129.1175.6-64.3-171.8145.800110.9
491P93.3Very high90Very high59 Ų5978.7 Ų78.738%0.38342%0.423SS..PPolyproline II helixtrans-67.8136.1176.5-20.233.1000111.9T493 L504 H505P491-T493 PolarHBondContact O-N 2.98Å; P491-L504 CarbonylContact C-O 3.59Å; P491-L504 VanDerWaalsContact CA-O 3.28Å; P491-L504 WeakPolarHBondContact CA-O 3.39Å; P491-H505 VanDerWaalsContact CG-ND1 3.35Å; P491-H505 WeakPolarHBondContact CG-ND1 3.25Å
492I94.6Very high90.4Very high36 Ų3674.8 Ų74.819%0.18540%0.403CS..EExtended strand (participates in β ladder)trans-82111.2175-57.1-177.9000108.5L494 S503 L504 F506 I604 T606 F607I492-L494 HydrophobicContact CG2-CD2 4.04Å; I492-L494 PolarHBondContact O-N 3.39Å; I492-S503 CarbonylContact O-C 3.55Å; I492-S503 VanDerWaalsContact O-CA 3.3Å; I492-S503 WeakPolarHBondContact O-CA 3.43Å; I492-L504 HydrophobicContact CB-CB 4.47Å; I492-L504 PolarHBondContact N-O 3.37Å; I492-L504 PolarHBondContact O-N 2.71Å; I492-F506 HydrophobicContact CD1-CE2 4.19Å; I492-F506 HydrophobicContact CD1-CZ 3.75Å; I492-F506 HydrophobicContact CG1-CE2 3.99Å; I492-F506 HydrophobicContact CG1-CZ 4Å; I492-I604 HydrophobicContact CD1-CG2 3.7Å; I492-I604 HydrophobicContact CG2-CD1 4.45Å; I492-I604 HydrophobicContact CG2-CG2 4.21Å; I492-T606 WeakPolarHBondContact CD1-O 3.28Å; I492-F607 HydrophobicContact CD1-CD1 4.41Å
493T95.1Very high90.9Very high68 Ų6865.4 Ų65.442%0.41736%0.359SS..EExtended strand (participates in β ladder)trans-67.7127171-63.50000109.6P491 N496 H501P491-T493 PolarHBondContact O-N 2.98Å; T493-N496 HydrophobicContact CG2-CB 3.91Å; T493-H501 VanDerWaalsContact CB-NE2 3.31Å; T493-H501 WeakPolarHBondContact CB-NE2 3.38Å; T493-H501 WeakPolarHBondContact CG2-NE2 3.35Å; T493-H501 PolarHBondContact OG1-NE2 3.46Å
494L94.1Very high91.3Very high13 Ų1362.1 Ų62.17%0.06834%0.335CS..EExtended strand (participates in β ladder)trans-99.1-36.9178.7-51-173.4000111.2I492 V502 L504 F537 Y587 I604I492-L494 HydrophobicContact CG2-CD2 4.04Å; I492-L494 PolarHBondContact O-N 3.39Å; L494-V502 HydrophobicContact CB-CB 4.48Å; L494-V502 HydrophobicContact CB-CG1 4.32Å; L494-V502 HydrophobicContact CD1-CG1 4.37Å; L494-V502 PolarHBondContact N-O 3.18Å; L494-L504 HydrophobicContact CD1-CB 4.45Å; L494-L504 HydrophobicContact CD2-CB 4.45Å; L494-F537 HydrophobicContact CD1-CE2 3.62Å; L494-F537 HydrophobicContact CD1-CZ 3.78Å; L494-Y587 HydrophobicContact CB-CE1 4.36Å; L494-Y587 HydrophobicContact CB-CE2 4.27Å; L494-Y587 HydrophobicContact CD2-CD1 4.3Å; L494-Y587 HydrophobicContact CD2-CE1 4.18Å; L494-Y587 PolarHBondContact O-OH 3.01Å; L494-I604 HydrophobicContact CD2-CD1 3.44Å; L494-I604 VanDerWaalsContact CD2-CD1 3.44Å; L494-I604 HydrophobicContact CD2-CG1 4.04Å
495Y94.4Very high91.6Very high21 Ų2163.9 Ų63.98%0.08234%0.343CS..EExtended strand (participates in β ladder)trans-150.4139.3178.8-176.1-103.5000109.6I500 H501 V502 L589 L598 E600Y495-I500 HydrophobicContact CD1-CB 4.31Å; Y495-I500 HydrophobicContact CD1-CG2 4.26Å; Y495-I500 HydrophobicContact CE1-CB 4.05Å; Y495-I500 HydrophobicContact CE1-CG2 4.37Å; Y495-H501 CarbonylContact O-C 3.55Å; Y495-H501 WeakPolarHBondContact O-CA 3.5Å; Y495-V502 HydrophobicContact CD1-CG2 4.41Å; Y495-V502 PolarHBondContact N-O 2.91Å; Y495-V502 PolarHBondContact O-N 3.2Å; Y495-L589 HydrophobicContact CD1-CD2 4.23Å; Y495-L589 HydrophobicContact CG-CD2 4.08Å; Y495-L598 HydrophobicContact CE2-CD2 4.21Å; Y495-L598 WeakPolarHBondContact OH-CD1 3.26Å; Y495-E600 HydrophobicContact CD2-CB 4.36Å; Y495-E600 HydrophobicContact CD2-CG 3.89Å; Y495-E600 HydrophobicContact CE2-CB 4.48Å; Y495-E600 HydrophobicContact CE2-CG 4.3Å
496N94.6Very high92Very high105 Ų10556 Ų5656%0.56131%0.313SS*.EExtended strand (participates in β ladder)trans-152.982.5176.3-174.816.1000109.9T493 I500T493-N496 HydrophobicContact CG2-CB 3.91Å; N496-I500 WeakPolarHBondContact CA-O 3.35Å
497T92.4Very high92.4Very high79 Ų7951.4 Ų51.449%0.48528%0.281SS..EExtended strand (participates in β ladder)trans-151.8148-175.7-58.90000110.1G499 I500T497-G499 PolarHBondContact O-N 3.22Å; T497-I500 PolarHBondContact N-O 3.21Å; T497-I500 PolarHBondContact O-N 3.06Å
498A88.6Confident92.3Very high64 Ų6455.9 Ų55.953%0.52930%0.297SS..THydrogen-bonded Turntrans54.922.9179.700000115.7S528 H593A498-S528 VanDerWaalsContact O-CB 3.22Å; A498-S528 WeakPolarHBondContact O-CB 3.5Å; A498-H593 PolarHBondContact O-CE1 2.99Å
499G89.8Confident92.1Very high23 Ų2349.5 Ų49.524%0.23727%0.27CS..THydrogen-bonded Turntrans82.113.9-176.400000114.5T497 T527 S528T497-G499 PolarHBondContact O-N 3.22Å; G499-T527 PolarHBondContact O-N 3.15Å; G499-T527 PolarHBondContact O-OG1 3.04Å; G499-T527 VanDerWaalsContact O-OG1 3.12Å; G499-S528 PolarHBondContact O-N 3.39Å
500I93.6Very high91.8Very high1 Ų149.3 Ų49.31%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-106.6118.8168.6-54.4172.9000107.8Y495 N496 T497 V502 V532 L591 H593Y495-I500 HydrophobicContact CD1-CB 4.31Å; Y495-I500 HydrophobicContact CD1-CG2 4.26Å; Y495-I500 HydrophobicContact CE1-CB 4.05Å; Y495-I500 HydrophobicContact CE1-CG2 4.37Å; N496-I500 WeakPolarHBondContact CA-O 3.35Å; T497-I500 PolarHBondContact N-O 3.21Å; T497-I500 PolarHBondContact O-N 3.06Å; I500-V502 HydrophobicContact CG2-CG2 4.18Å; I500-V532 HydrophobicContact CD1-CG1 4.5Å; I500-V532 HydrophobicContact CD1-CG2 3.61Å; I500-V532 HydrophobicContact CG1-CG2 3.96Å; I500-L591 HydrophobicContact CD1-CD1 3.84Å; I500-L591 HydrophobicContact CD1-CD2 4.03Å; I500-L591 HydrophobicContact CG2-CD2 4.3Å; I500-H593 HydrophobicContact CD1-CB 4.13Å
501H95.8Very high91.5Very high69 Ų6941.7 Ų41.732%0.31924%0.237SC..EExtended strand (participates in β ladder)trans-110.6127.9175.1-178-95.6000109.9T493 Y495 S503 A524 V525T493-H501 VanDerWaalsContact CB-NE2 3.31Å; T493-H501 WeakPolarHBondContact CB-NE2 3.38Å; T493-H501 WeakPolarHBondContact CG2-NE2 3.35Å; T493-H501 PolarHBondContact OG1-NE2 3.46Å; Y495-H501 CarbonylContact O-C 3.55Å; Y495-H501 WeakPolarHBondContact O-CA 3.5Å; H501-S503 WeakPolarHBondContact CE1-CB 3.26Å; H501-S503 PolarHBondContact CE1-OG 2.7Å; H501-A524 CarbonylContact O-C 3.49Å; H501-A524 VanDerWaalsContact O-CA 3.28Å; H501-A524 WeakPolarHBondContact O-CA 3.32Å; H501-V525 PolarHBondContact N-O 2.93Å; H501-V525 PolarHBondContact O-N 2.79Å
502V96.3Very high90.7Very high1 Ų144.7 Ų44.71%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-126.4125.8177.3-1720000108.4L494 Y495 I500 M522 S523 A524 F535 L589L494-V502 HydrophobicContact CB-CB 4.48Å; L494-V502 HydrophobicContact CB-CG1 4.32Å; L494-V502 HydrophobicContact CD1-CG1 4.37Å; L494-V502 PolarHBondContact N-O 3.18Å; Y495-V502 HydrophobicContact CD1-CG2 4.41Å; Y495-V502 PolarHBondContact N-O 2.91Å; Y495-V502 PolarHBondContact O-N 3.2Å; I500-V502 HydrophobicContact CG2-CG2 4.18Å; V502-M522 HydrophobicContact CG1-CG 4.03Å; V502-M522 HydrophobicContact CG1-SD 3.65Å; V502-S523 CarbonylContact C-O 3.58Å; V502-S523 WeakPolarHBondContact CA-O 3.19Å; V502-A524 HydrophobicContact CB-CB 4.37Å; V502-A524 HydrophobicContact CG1-CB 4.2Å; V502-A524 HydrophobicContact CG2-CB 3.79Å; V502-F535 HydrophobicContact CG2-CE2 4.29Å; V502-L589 HydrophobicContact CG2-CD2 3.92Å
503S96.1Very high89.6Confident1 Ų146.4 Ų46.41%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-142.9153.9-179.352.20000113.2I492 H501 H505 M522 S523I492-S503 CarbonylContact O-C 3.55Å; I492-S503 VanDerWaalsContact O-CA 3.3Å; I492-S503 WeakPolarHBondContact O-CA 3.43Å; H501-S503 WeakPolarHBondContact CE1-CB 3.26Å; H501-S503 PolarHBondContact CE1-OG 2.7Å; S503-H505 PolarHBondContact OG-NE2 2.7Å; S503-H505 VanDerWaalsContact OG-NE2 3.12Å; S503-M522 WeakPolarHBondContact O-CA 3.47Å; S503-S523 PolarHBondContact N-O 3.41Å; S503-S523 PolarHBondContact O-N 3.19Å
504L95.3Very high88.9Confident1 Ų146.6 Ų46.61%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-105.2113.6178.5-171.170000109.5P491 I492 L494 F506 A520 M522 L573 I604 F607P491-L504 CarbonylContact C-O 3.59Å; P491-L504 VanDerWaalsContact CA-O 3.28Å; P491-L504 WeakPolarHBondContact CA-O 3.39Å; I492-L504 HydrophobicContact CB-CB 4.47Å; I492-L504 PolarHBondContact N-O 3.37Å; I492-L504 PolarHBondContact O-N 2.71Å; L494-L504 HydrophobicContact CD1-CB 4.45Å; L494-L504 HydrophobicContact CD2-CB 4.45Å; L504-F506 HydrophobicContact CD2-CE1 4.02Å; L504-F506 HydrophobicContact CD2-CZ 4.2Å; L504-F506 HydrophobicContact CG-CE1 4.35Å; L504-A520 HydrophobicContact CD1-CB 3.72Å; L504-A520 HydrophobicContact CD2-CB 4.34Å; L504-A520 HydrophobicContact CG-CB 3.96Å; L504-M522 HydrophobicContact CD1-CB 4.3Å; L504-L573 HydrophobicContact CD1-CD2 3.87Å; L504-L573 HydrophobicContact CD2-CD2 4.21Å; L504-I604 HydrophobicContact CD2-CD1 4.35Å; L504-F607 HydrophobicContact CD2-CE1 4.1Å
505H94.1Very high87.9Confident71 Ų7150.9 Ų50.933%0.32931%0.311SS..EExtended strand (participates in β ladder)trans-98.2145.3177.2-57.3-100000110.1P491 S503 A520 V521P491-H505 VanDerWaalsContact CG-ND1 3.35Å; P491-H505 WeakPolarHBondContact CG-ND1 3.25Å; S503-H505 PolarHBondContact OG-NE2 2.7Å; S503-H505 VanDerWaalsContact OG-NE2 3.12Å; H505-A520 CarbonylContact O-C 3.51Å; H505-A520 WeakPolarHBondContact O-CA 3.36Å; H505-A520 WeakPolarHBondContact O-CB 3.1Å; H505-V521 PolarHBondContact N-O 2.83Å; H505-V521 PolarHBondContact O-N 2.82Å
506F92.9Very high87.2Confident10 Ų1050.9 Ų50.94%0.04432%0.317CS..EExtended strand (participates in β ladder)trans-103.6138.1-179.1-57.1-72.5000111.9S487 L489 I492 L504 A520 F607 P608 L613S487-F506 WeakPolarHBondContact CB-O 3.34Å; S487-F506 PolarHBondContact N-O 3Å; S487-F506 PolarHBondContact OG-O 3.45Å; L489-F506 HydrophobicContact CB-CB 4.36Å; L489-F506 HydrophobicContact CB-CD2 3.93Å; L489-F506 HydrophobicContact CD1-CB 3.87Å; L489-F506 HydrophobicContact CD1-CD2 4.2Å; L489-F506 HydrophobicContact CD1-CG 4.19Å; I492-F506 HydrophobicContact CD1-CE2 4.19Å; I492-F506 HydrophobicContact CD1-CZ 3.75Å; I492-F506 HydrophobicContact CG1-CE2 3.99Å; I492-F506 HydrophobicContact CG1-CZ 4Å; L504-F506 HydrophobicContact CD2-CE1 4.02Å; L504-F506 HydrophobicContact CD2-CZ 4.2Å; L504-F506 HydrophobicContact CG-CE1 4.35Å; F506-A520 HydrophobicContact CD1-CB 3.94Å; F506-A520 HydrophobicContact CE1-CB 4.27Å; F506-F607 HydrophobicContact CE1-CD1 4Å; F506-F607 HydrophobicContact CE1-CE1 4.04Å; F506-F607 HydrophobicContact CZ-CD1 4.04Å; F506-F607 HydrophobicContact CZ-CE1 4.22Å; F506-P608 HydrophobicContact CD2-CG 4.2Å; F506-P608 HydrophobicContact CE2-CG 3.85Å; F506-P608 HydrophobicContact CZ-CG 4.29Å; F506-L613 HydrophobicContact CB-CD2 4.1Å; F506-L613 HydrophobicContact CD1-CD2 3.39Å; F506-L613 HydrophobicContact CD2-CD2 4.31Å; F506-L613 HydrophobicContact CE1-CD2 3.83Å; F506-L613 HydrophobicContact CG-CD2 3.66Å; F506-L613 HydrophobicContact CZ-CD2 4.45Å
507A90.4Very high87Confident6 Ų646 Ų465%0.0529%0.291CS..BIsolated β-bridgetrans-70.7157.5170.900000111.2I484 R485 V519I484-A507 HydrophobicContact CG2-CB 3.73Å; R485-A507 CarbonylContact O-C 3.57Å; R485-A507 WeakPolarHBondContact O-CA 3.33Å; A507-V519 HydrophobicContact CB-CB 3.73Å; A507-V519 HydrophobicContact CB-CG1 4.2Å; A507-V519 WeakPolarHBondContact CB-O 3.37Å; A507-V519 PolarHBondContact N-O 3.32Å
508K85Confident86.9Confident124 Ų12442.5 Ų42.554%0.53927%0.27SS..SBendtrans-80.9-36.2172.6-175.4-176174.6-178.20112.9R485R485-K508 HydrophobicContact CB-CB 4.42Å; R485-K508 PolarHBondContact O-N 3.43Å
509D80.9Confident87.1Confident73 Ų7339.8 Ų39.839%0.3925%0.247SC..SBendtrans-118.8142.9-164.9-52.9-55000110.7R485R485-D509 VanDerWaalsContact CD-OD2 3.29Å; R485-D509 WeakPolarHBondContact CD-OD2 3.37Å
510C82.1Confident87.3Confident37 Ų3738.8 Ų38.825%0.2524%0.236CC..PPolyproline II helixtrans-67.7159.4172.2-93.50000112V517 T614C510-V517 PolarHBondContact SG-O 2.93Å; C510-T614 PolarHBondContact SG-O 3.13Å
511P82.4Confident87.4Confident14 Ų1439.5 Ų39.59%0.09124%0.241CC..PPolyproline II helixtrans-61138.8168.2-14.328.2000110.8I477 V479 G513 H514 V517 V519I477-P511 HydrophobicContact CG2-CB 4.06Å; I477-P511 HydrophobicContact CG2-CG 4.3Å; V479-P511 HydrophobicContact CG2-CB 4.06Å; V479-P511 HydrophobicContact CG2-CG 4.14Å; P511-G513 PolarHBondContact O-N 3.5Å; P511-H514 HydrophobicContact CB-CB 4.33Å; P511-H514 PolarHBondContact O-N 2.88Å; P511-V517 WeakPolarHBondContact CD-O 3.41Å; P511-V517 HydrophobicContact CG-CB 4.1Å; P511-V517 HydrophobicContact CG-CG1 3.93Å; P511-V519 HydrophobicContact CG-CG2 3.6Å
512S75.3Confident87.4Confident122 Ų12236.2 Ų36.285%0.85323%0.226SC*.THydrogen-bonded Turntrans-50.2125.8175.6-58.10000111.5H514S512-H514 VanDerWaalsContact C-N 3.32Å; S512-H514 PolarHBondContact O-CD2 3.37Å; S512-H514 PolarHBondContact O-N 3.26Å
513G72.2Confident87.4Confident72 Ų7237.2 Ų37.274%0.74223%0.233SC*.THydrogen-bonded Turntrans82.6-5.2-178.600000116P511 P515P511-G513 PolarHBondContact O-N 3.5Å; G513-P515 VanDerWaalsContact C-CD 3.44Å; G513-P515 WeakPolarHBondContact O-CD 3.43Å
514H81.6Confident87.4Confident72 Ų7237.2 Ų37.233%0.33323%0.232SC..  trans-126.263.3-175.9-61.3-73.8000113.6I477 P511 S512 G516 V517I477-H514 HydrophobicContact CD1-CB 4.12Å; P511-H514 HydrophobicContact CB-CB 4.33Å; P511-H514 PolarHBondContact O-N 2.88Å; S512-H514 VanDerWaalsContact C-N 3.32Å; S512-H514 PolarHBondContact O-CD2 3.37Å; S512-H514 PolarHBondContact O-N 3.26Å; H514-G516 PolarHBondContact O-N 3.33Å; H514-V517 HydrophobicContact CB-CB 4.22Å; H514-V517 HydrophobicContact CB-CG2 3.86Å; H514-V517 PolarHBondContact O-N 3.07Å; H514-V517 VanDerWaalsContact O-N 3.13Å
515P71.1Confident87.4Confident102 Ų10238.7 Ų38.766%0.66224%0.242SC*.THydrogen-bonded Turntrans-62.6118.3172.728.5-33.8000109.8G513G513-P515 VanDerWaalsContact C-CD 3.44Å; G513-P515 WeakPolarHBondContact O-CD 3.43Å
516G80.9Confident87.4Confident21 Ų2135.3 Ų35.322%0.21623%0.226CC..THydrogen-bonded Turntrans1084.6-172.800000115.1H514 W610H514-G516 PolarHBondContact O-N 3.33Å; G516-W610 WeakPolarHBondContact O-CZ2 3.26Å
517V89.9Confident87.4Confident3 Ų338.6 Ų38.62%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-103.6115.6164.81780000109.1L474 I477 C510 P511 H514 L574 L575 A576L474-V517 HydrophobicContact CD2-CB 4.45Å; L474-V517 HydrophobicContact CD2-CG1 3.74Å; L474-V517 HydrophobicContact CD2-CG2 3.79Å; I477-V517 HydrophobicContact CD1-CG2 4.02Å; C510-V517 PolarHBondContact SG-O 2.93Å; P511-V517 WeakPolarHBondContact CD-O 3.41Å; P511-V517 HydrophobicContact CG-CB 4.1Å; P511-V517 HydrophobicContact CG-CG1 3.93Å; H514-V517 HydrophobicContact CB-CB 4.22Å; H514-V517 HydrophobicContact CB-CG2 3.86Å; H514-V517 PolarHBondContact O-N 3.07Å; H514-V517 VanDerWaalsContact O-N 3.13Å; V517-L574 HydrophobicContact CG1-CB 4.25Å; V517-L575 CarbonylContact C-O 3.58Å; V517-L575 WeakPolarHBondContact CA-O 3.42Å; V517-A576 HydrophobicContact CG2-CB 4.31Å
518A90.5Very high87.4Confident5 Ų539 Ų394%0.04125%0.249CC..EExtended strand (participates in β ladder)trans-80.4140.7174.300000110.5L575 W610 L613 T614A518-L575 HydrophobicContact CB-CB 4.41Å; A518-L575 PolarHBondContact N-O 3.23Å; A518-L575 PolarHBondContact O-N 3.28Å; A518-W610 HydrophobicContact CB-CH2 3.66Å; A518-W610 HydrophobicContact CB-CZ2 4.4Å; A518-W610 HydrophobicContact CB-CZ3 3.75Å; A518-L613 HydrophobicContact CB-CB 4.08Å; A518-L613 VanDerWaalsContact CB-O 3.28Å; A518-L613 WeakPolarHBondContact CB-O 3.4Å; A518-T614 HydrophobicContact CB-CG2 4.04Å
519V92.9Very high87.7Confident7 Ų737.4 Ų37.44%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-111.8131.9175.4-171.70000109.5V479 I484 A507 P511 V572 L574V479-V519 HydrophobicContact CG1-CG1 4.49Å; I484-V519 HydrophobicContact CD1-CG1 3.87Å; I484-V519 HydrophobicContact CG1-CG1 4.4Å; A507-V519 HydrophobicContact CB-CB 3.73Å; A507-V519 HydrophobicContact CB-CG1 4.2Å; A507-V519 WeakPolarHBondContact CB-O 3.37Å; A507-V519 PolarHBondContact N-O 3.32Å; P511-V519 HydrophobicContact CG-CG2 3.6Å; V519-V572 HydrophobicContact CG1-CG1 3.75Å; V519-L574 HydrophobicContact CB-CD2 4.3Å; V519-L574 HydrophobicContact CG1-CD2 4.02Å; V519-L574 HydrophobicContact CG2-CD2 3.78Å
520A93.6Very high88.3Confident2 Ų238.2 Ų38.22%0.01726%0.263CS..EExtended strand (participates in β ladder)trans-132.4160.2171.100000110.3L504 H505 F506 L573L504-A520 HydrophobicContact CD1-CB 3.72Å; L504-A520 HydrophobicContact CD2-CB 4.34Å; L504-A520 HydrophobicContact CG-CB 3.96Å; H505-A520 CarbonylContact O-C 3.51Å; H505-A520 WeakPolarHBondContact O-CA 3.36Å; H505-A520 WeakPolarHBondContact O-CB 3.1Å; F506-A520 HydrophobicContact CD1-CB 3.94Å; F506-A520 HydrophobicContact CE1-CB 4.27Å; A520-L573 HydrophobicContact CB-CB 4.31Å; A520-L573 HydrophobicContact CB-CD2 4.33Å; A520-L573 PolarHBondContact N-O 3.04Å; A520-L573 PolarHBondContact O-N 2.95Å
521V95.8Very high88.8Confident17 Ų1738.7 Ų38.710%0.10326%0.263CS..EExtended strand (participates in β ladder)trans-126.4117.2177.5-176.70000107.9L481 I484 H505 V572L481-V521 HydrophobicContact CD1-CG1 3.94Å; L481-V521 HydrophobicContact CD1-CG2 4.12Å; I484-V521 HydrophobicContact CD1-CG2 3.66Å; I484-V521 HydrophobicContact CG2-CG2 4.11Å; H505-V521 PolarHBondContact N-O 2.83Å; H505-V521 PolarHBondContact O-N 2.82Å; V521-V572 HydrophobicContact CG2-CG2 4.48Å
522M96.1Very high89.4Confident0 Ų038.1 Ų38.10%026%0.259CS..EExtended strand (participates in β ladder)trans-74.6125.3165.5-177-72.9-5300107.3V502 S503 L504 A524 F535 F537 V569 S570 Q571V502-M522 HydrophobicContact CG1-CG 4.03Å; V502-M522 HydrophobicContact CG1-SD 3.65Å; S503-M522 WeakPolarHBondContact O-CA 3.47Å; L504-M522 HydrophobicContact CD1-CB 4.3Å; M522-A524 HydrophobicContact SD-CB 4.07Å; M522-F535 HydrophobicContact CE-CE1 3.68Å; M522-F535 HydrophobicContact CE-CZ 4.05Å; M522-F535 HydrophobicContact SD-CE1 4.19Å; M522-F535 HydrophobicContact SD-CZ 3.94Å; M522-F537 HydrophobicContact CB-CD1 4.07Å; M522-F537 HydrophobicContact CB-CE1 3.78Å; M522-F537 HydrophobicContact CB-CZ 4.27Å; M522-F537 HydrophobicContact CE-CB 4.23Å; M522-F537 HydrophobicContact CE-CD1 4.33Å; M522-F537 HydrophobicContact CE-CG 4.37Å; M522-F537 HydrophobicContact CG-CD1 3.81Å; M522-F537 HydrophobicContact CG-CD2 4.19Å; M522-F537 HydrophobicContact CG-CE1 3.71Å; M522-F537 HydrophobicContact CG-CE2 4.11Å; M522-F537 HydrophobicContact CG-CG 4.05Å; M522-F537 HydrophobicContact CG-CZ 3.87Å; M522-V569 HydrophobicContact CE-CG1 3.98Å; M522-S570 CarbonylContact O-C 3.52Å; M522-S570 WeakPolarHBondContact O-CA 3.49Å; M522-Q571 HydrophobicContact CE-CB 3.58Å; M522-Q571 PolarHBondContact N-O 2.69Å; M522-Q571 PolarHBondContact O-N 3.08Å
523S95.7Very high90.3Very high22 Ų2234.6 Ų34.615%0.15423%0.229CC..EExtended strand (participates in β ladder)trans-118.9128.8174.9-175.20000108.9V502 S503 V569V502-S523 CarbonylContact C-O 3.58Å; V502-S523 WeakPolarHBondContact CA-O 3.19Å; S503-S523 PolarHBondContact N-O 3.41Å; S503-S523 PolarHBondContact O-N 3.19Å; S523-V569 CarbonylContact C-O 3.44Å; S523-V569 VanDerWaalsContact CA-O 3.31Å; S523-V569 WeakPolarHBondContact CA-O 3.32Å
524A96.1Very high91.3Very high0 Ų034.8 Ų34.80%021%0.213CC..EExtended strand (participates in β ladder)trans-124.3127.317300000111.3H501 V502 M522 F535 A568 V569H501-A524 CarbonylContact O-C 3.49Å; H501-A524 VanDerWaalsContact O-CA 3.28Å; H501-A524 WeakPolarHBondContact O-CA 3.32Å; V502-A524 HydrophobicContact CB-CB 4.37Å; V502-A524 HydrophobicContact CG1-CB 4.2Å; V502-A524 HydrophobicContact CG2-CB 3.79Å; M522-A524 HydrophobicContact SD-CB 4.07Å; A524-F535 HydrophobicContact CB-CD2 4.45Å; A524-F535 HydrophobicContact CB-CE1 4.39Å; A524-F535 HydrophobicContact CB-CE2 3.46Å; A524-F535 VanDerWaalsContact CB-CE2 3.46Å; A524-F535 HydrophobicContact CB-CZ 3.43Å; A524-F535 VanDerWaalsContact CB-CZ 3.43Å; A524-A568 CarbonylContact O-C 3.54Å; A524-A568 VanDerWaalsContact O-CA 3.23Å; A524-A568 WeakPolarHBondContact O-CA 3.17Å; A524-V569 HydrophobicContact CB-CB 4.21Å; A524-V569 PolarHBondContact N-O 2.82Å; A524-V569 PolarHBondContact O-N 3.08Å
525V95.4Very high92Very high33 Ų3331.5 Ų31.520%0.220%0.198CC..EExtended strand (participates in β ladder)trans-123140.3-175.9-178.60000109.9H501 T527 P566 A568H501-V525 PolarHBondContact N-O 2.93Å; H501-V525 PolarHBondContact O-N 2.79Å; V525-T527 HydrophobicContact CG1-CG2 4.38Å; V525-P566 HydrophobicContact CG1-CB 3.54Å; V525-A568 HydrophobicContact CG2-CB 4Å
526N93.8Very high93.2Very high0 Ų029.7 Ų29.70%019%0.185CC..EExtended strand (participates in β ladder)trans-106.7115.8175.2-174.423.6000110.8S528 L530 V532 L557 P558N526-S528 VanDerWaalsContact OD1-CB 3.29Å; N526-S528 WeakPolarHBondContact OD1-CB 3.11Å; N526-S528 PolarHBondContact OD1-N 2.92Å; N526-S528 PolarHBondContact OD1-OG 3.32Å; N526-L530 PolarHBondContact ND2-O 3.19Å; N526-V532 HydrophobicContact CB-CG2 4.37Å; N526-L557 HydrophobicContact CB-CB 3.85Å; N526-L557 HydrophobicContact CB-CD1 3.93Å; N526-L557 HydrophobicContact CB-CG 4.47Å; N526-P558 PolarHBondContact ND2-O 3.41Å
527T92.7Very high93.9Very high79 Ų7929.1 Ų29.149%0.48518%0.176SC..  trans-108.28.5170.460.60000112.6G499 V525 Y560G499-T527 PolarHBondContact O-N 3.15Å; G499-T527 PolarHBondContact O-OG1 3.04Å; G499-T527 VanDerWaalsContact O-OG1 3.12Å; V525-T527 HydrophobicContact CG1-CG2 4.38Å; T527-Y560 VanDerWaalsContact C-CB 3.5Å; T527-Y560 HydrophobicContact CG2-CD2 4.24Å; T527-Y560 HydrophobicContact CG2-CE2 4.38Å
528S92Very high94.2Very high13 Ų1333.8 Ų33.89%0.09120%0.198CC..SBendtrans-87.7161.6177.683.90000113.3A498 G499 N526 L530 Y560 H593A498-S528 VanDerWaalsContact O-CB 3.22Å; A498-S528 WeakPolarHBondContact O-CB 3.5Å; G499-S528 PolarHBondContact O-N 3.39Å; N526-S528 VanDerWaalsContact OD1-CB 3.29Å; N526-S528 WeakPolarHBondContact OD1-CB 3.11Å; N526-S528 PolarHBondContact OD1-N 2.92Å; N526-S528 PolarHBondContact OD1-OG 3.32Å; S528-L530 PolarHBondContact O-N 3.03Å; S528-L530 PolarHBondContact OG-N 2.66Å; S528-L530 PolarHBondContact OG-O 2.95Å; S528-Y560 VanDerWaalsContact O-CB 3.27Å; S528-Y560 WeakPolarHBondContact O-CB 3.46Å; S528-Y560 PolarHBondContact O-N 3.26Å; S528-H593 PolarHBondContact OG-NE2 3.26Å
529A90.4Very high94.4Very high92 Ų9235 Ų3576%0.7621%0.205SC*.SBendtrans-79.52.6176.600000114.6
530L93Very high94.4Very high90 Ų9037.2 Ų37.247%0.47122%0.224SC..SBendtrans-112.6158.9177.6-58.2178.1000110N526 S528N526-L530 PolarHBondContact ND2-O 3.19Å; S528-L530 PolarHBondContact O-N 3.03Å; S528-L530 PolarHBondContact OG-N 2.66Å; S528-L530 PolarHBondContact OG-O 2.95Å
531D93.3Very high94.4Very high47 Ų4738.7 Ų38.725%0.25123%0.232SC..  trans-82156.4173.273.2-30.9000111.5K533 P559 G594D531-K533 IonicContact OD1-NZ 3.56Å; D531-K533 PolarHBondContact OD1-NZ 3.12Å; D531-K533 WeakPolarHBondContact OD2-CE 3.49Å; D531-K533 WeakPolarHBondContact OD2-CG 3.42Å; D531-K533 IonicContact OD2-NZ 3.82Å; D531-K533 PolarHBondContact OD2-NZ 2.84Å; D531-P559 HydrophobicContact CB-CG 4.1Å; D531-G594 PolarHBondContact O-N 3.05Å
532V95.4Very high94.1Very high1 Ų140 Ų401%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-112.7121.9171.7-173.80000108I500 N526 F535 R556 L557 L591 T592I500-V532 HydrophobicContact CD1-CG1 4.5Å; I500-V532 HydrophobicContact CD1-CG2 3.61Å; I500-V532 HydrophobicContact CG1-CG2 3.96Å; N526-V532 HydrophobicContact CB-CG2 4.37Å; V532-F535 HydrophobicContact CG1-CD2 4.45Å; V532-R556 CarbonylContact O-C 3.59Å; V532-R556 WeakPolarHBondContact O-CA 3.22Å; V532-L557 HydrophobicContact CB-CB 4.14Å; V532-L557 HydrophobicContact CG2-CB 4.49Å; V532-L557 PolarHBondContact N-O 3.27Å; V532-L557 PolarHBondContact O-N 3.18Å; V532-L591 HydrophobicContact CG1-CB 3.79Å; V532-L591 HydrophobicContact CG1-CD1 4.18Å; V532-L591 HydrophobicContact CG1-CD2 4.28Å; V532-L591 HydrophobicContact CG1-CG 4.31Å; V532-T592 CarbonylContact C-O 3.59Å; V532-T592 WeakPolarHBondContact CA-O 3.43Å
533K93.9Very high93.7Very high49 Ų4948.2 Ų48.221%0.21328%0.277CS..EExtended strand (participates in β ladder)trans-111162.5176.8-49.1177.3-171.168.70110.2D531 F535 T592 G594D531-K533 IonicContact OD1-NZ 3.56Å; D531-K533 PolarHBondContact OD1-NZ 3.12Å; D531-K533 WeakPolarHBondContact OD2-CE 3.49Å; D531-K533 WeakPolarHBondContact OD2-CG 3.42Å; D531-K533 IonicContact OD2-NZ 3.82Å; D531-K533 PolarHBondContact OD2-NZ 2.84Å; K533-F535 PolarHBondContact O-N 3.39Å; K533-F535 VanDerWaalsContact O-N 3.08Å; K533-T592 PolarHBondContact N-O 3.5Å; K533-T592 PolarHBondContact O-N 3.29Å; K533-G594 PolarHBondContact NZ-O 2.64Å
534D93.9Very high93.2Very high75 Ų7548 Ų4840%0.40128%0.275SS..EExtended strand (participates in β ladder)trans53.336.8166.6-35.9-43.5000113.5V536 T555 R556 T592D534-V536 PolarHBondContact O-N 2.96Å; D534-T555 PolarHBondContact N-O 2.7Å; D534-T555 VanDerWaalsContact N-O 3.13Å; D534-R556 IonicContact OD1-NE 2.84Å; D534-R556 IonicContact OD1-NH2 2.7Å; D534-R556 PolarHBondContact OD1-NH2 3.42Å; D534-T592 PolarHBondContact OD2-OG1 3.35Å
535F95.4Very high93Very high4 Ų448.5 Ų48.52%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-65.7117.1179.6-175.1-78000109.9V502 M522 A524 V532 K533 F537 T555 V569 L589 T590 L591V502-F535 HydrophobicContact CG2-CE2 4.29Å; M522-F535 HydrophobicContact CE-CE1 3.68Å; M522-F535 HydrophobicContact CE-CZ 4.05Å; M522-F535 HydrophobicContact SD-CE1 4.19Å; M522-F535 HydrophobicContact SD-CZ 3.94Å; A524-F535 HydrophobicContact CB-CD2 4.45Å; A524-F535 HydrophobicContact CB-CE1 4.39Å; A524-F535 HydrophobicContact CB-CE2 3.46Å; A524-F535 VanDerWaalsContact CB-CE2 3.46Å; A524-F535 HydrophobicContact CB-CZ 3.43Å; A524-F535 VanDerWaalsContact CB-CZ 3.43Å; V532-F535 HydrophobicContact CG1-CD2 4.45Å; K533-F535 PolarHBondContact O-N 3.39Å; K533-F535 VanDerWaalsContact O-N 3.08Å; F535-F537 HydrophobicContact CE1-CB 4.03Å; F535-T555 WeakPolarHBondContact CB-O 3.47Å; F535-T555 PolarHBondContact N-O 2.92Å; F535-V569 HydrophobicContact CD1-CB 4.42Å; F535-V569 HydrophobicContact CD1-CG1 3.93Å; F535-V569 HydrophobicContact CD1-CG2 4.23Å; F535-V569 HydrophobicContact CE1-CB 4.38Å; F535-V569 HydrophobicContact CE1-CG1 3.91Å; F535-V569 HydrophobicContact CG-CG2 4.26Å; F535-L589 HydrophobicContact CD2-CD1 4.12Å; F535-L589 HydrophobicContact CE1-CD1 4.19Å; F535-L589 HydrophobicContact CE2-CD1 3.51Å; F535-L589 HydrophobicContact CZ-CD1 3.53Å; F535-T590 WeakPolarHBondContact CA-O 3.14Å; F535-L591 HydrophobicContact CD2-CB 4.34Å; F535-L591 HydrophobicContact CD2-CD2 4.28Å; F535-L591 HydrophobicContact CE2-CD2 4.45Å
536V95.6Very high92.8Very high64 Ų6450.5 Ų50.539%0.38829%0.287SS..EExtended strand (participates in β ladder)trans-132.4118179175.80000108.8D534 Q538 T590D534-V536 PolarHBondContact O-N 2.96Å; V536-Q538 HydrophobicContact CG1-CG 3.99Å; V536-T590 PolarHBondContact N-O 3.12Å; V536-T590 PolarHBondContact O-N 3.45Å
537F96.8Very high92.8Very high9 Ų952.7 Ų52.74%0.03930%0.3CS..EExtended strand (participates in β ladder)trans-104.4130.2172.3179.2-114.5000109.4L494 M522 F535 V539 L549 Y587L494-F537 HydrophobicContact CD1-CE2 3.62Å; L494-F537 HydrophobicContact CD1-CZ 3.78Å; M522-F537 HydrophobicContact CB-CD1 4.07Å; M522-F537 HydrophobicContact CB-CE1 3.78Å; M522-F537 HydrophobicContact CB-CZ 4.27Å; M522-F537 HydrophobicContact CE-CB 4.23Å; M522-F537 HydrophobicContact CE-CD1 4.33Å; M522-F537 HydrophobicContact CE-CG 4.37Å; M522-F537 HydrophobicContact CG-CD1 3.81Å; M522-F537 HydrophobicContact CG-CD2 4.19Å; M522-F537 HydrophobicContact CG-CE1 3.71Å; M522-F537 HydrophobicContact CG-CE2 4.11Å; M522-F537 HydrophobicContact CG-CG 4.05Å; M522-F537 HydrophobicContact CG-CZ 3.87Å; F535-F537 HydrophobicContact CE1-CB 4.03Å; F537-V539 HydrophobicContact CD1-CG1 4.1Å; F537-V539 HydrophobicContact CE1-CG1 3.36Å; F537-V539 HydrophobicContact CE2-CG1 4.26Å; F537-V539 HydrophobicContact CZ-CG1 3.46Å; F537-V539 VanDerWaalsContact CZ-CG1 3.46Å; F537-L549 HydrophobicContact CD1-CD1 4.03Å; F537-L549 HydrophobicContact CD1-CD2 4.11Å; F537-L549 HydrophobicContact CE1-CD1 4.14Å; F537-L549 VanDerWaalsContact O-CD2 3.28Å; F537-L549 WeakPolarHBondContact O-CD2 3.41Å; F537-Y587 HydrophobicContact CE2-CD2 4.43Å; F537-Y587 HydrophobicContact CE2-CG 4.28Å
538Q95.6Very high92.8Very high101 Ų10151.3 Ų51.347%0.47229%0.287SS..EExtended strand (participates in β ladder)trans-127.5146.3179.4-64.8-178.6-28.300109.6V536 Y587 K588V536-Q538 HydrophobicContact CG1-CG 3.99Å; Q538-Y587 CarbonylContact O-C 3.54Å; Q538-Y587 VanDerWaalsContact O-CA 3.25Å; Q538-Y587 WeakPolarHBondContact O-CA 3.47Å; Q538-K588 HydrophobicContact CB-CB 4.32Å; Q538-K588 PolarHBondContact N-O 2.72Å; Q538-K588 PolarHBondContact O-N 3.48Å
539V95.3Very high92.9Very high31 Ų3153 Ų5319%0.18830%0.295CS..EExtended strand (participates in β ladder)trans-137.2147.3-175.8-650000111.7F537 V547 L549 L573 L585 R586F537-V539 HydrophobicContact CD1-CG1 4.1Å; F537-V539 HydrophobicContact CE1-CG1 3.36Å; F537-V539 HydrophobicContact CE2-CG1 4.26Å; F537-V539 HydrophobicContact CZ-CG1 3.46Å; F537-V539 VanDerWaalsContact CZ-CG1 3.46Å; V539-V547 HydrophobicContact CG2-CG1 4.49Å; V539-V547 HydrophobicContact CG2-CG2 3.64Å; V539-L549 HydrophobicContact CG2-CB 4.24Å; V539-L549 HydrophobicContact CG2-CD1 4.48Å; V539-L549 HydrophobicContact CG2-CD2 4.4Å; V539-L573 HydrophobicContact CB-CD1 4.44Å; V539-L573 HydrophobicContact CG1-CD1 4.29Å; V539-L573 HydrophobicContact CG2-CD1 3.81Å; V539-L585 HydrophobicContact CB-CD1 4.29Å; V539-L585 HydrophobicContact CB-CD2 4.4Å; V539-L585 HydrophobicContact CB-CG 4.47Å; V539-L585 HydrophobicContact CG1-CD1 4.36Å; V539-L585 HydrophobicContact CG1-CD2 4.05Å; V539-R586 CarbonylContact C-O 3.58Å; V539-R586 WeakPolarHBondContact CA-O 3.38Å
540A93.3Very high93.1Very high53 Ų5349 Ų4944%0.43826%0.26SS..EExtended strand (participates in β ladder)trans-141.8145.5172.700000110.4R586A540-R586 HydrophobicContact CB-CB 4.48Å; A540-R586 PolarHBondContact N-O 2.88Å; A540-R586 PolarHBondContact O-N 3.07Å
541V92.8Very high93.1Very high33 Ų3349.9 Ų49.920%0.227%0.272CS..  trans-127.7160.8179.3-62.40000110.3M545 V547 L575 L585V541-M545 HydrophobicContact CB-CB 4.13Å; V541-M545 HydrophobicContact CG2-CB 3.86Å; V541-V547 HydrophobicContact CG1-CB 3.95Å; V541-V547 HydrophobicContact CG1-CG1 4.28Å; V541-V547 HydrophobicContact CG1-CG2 4.44Å; V541-V547 HydrophobicContact CG2-CB 3.88Å; V541-V547 HydrophobicContact CG2-CG1 3.79Å; V541-L575 HydrophobicContact CG1-CD2 3.9Å; V541-L585 HydrophobicContact CG1-CB 4.41Å; V541-L585 HydrophobicContact CG1-CD1 4.07Å; V541-L585 HydrophobicContact CG1-CG 4.3Å
542P90.3Very high93.1Very high45 Ų4549.1 Ų49.129%0.29227%0.272SS..  trans-56.4152.4172.3-24.934.3000112.4S544 M545 R584P542-S544 PolarHBondContact O-N 3.23Å; P542-M545 PolarHBondContact O-N 3.03Å; P542-R584 WeakPolarHBondContact CD-O 3.39Å; P542-R584 HydrophobicContact CG-CB 3.92Å
543K87.4Confident92.9Very high172 Ų17252.6 Ų52.675%0.74830%0.297SS*.THydrogen-bonded Turntrans-56.4-20.6-178.8-66.7-175.2178.7-178.40115.1Y394 M545Y394-K543 PolarHBondContact OH-NZ 2.9Å; K543-M545 PolarHBondContact O-N 3.11Å
544S85.6Confident92.8Very high16 Ų1653.8 Ų53.811%0.11230%0.303CS..THydrogen-bonded Turntrans-793.8175.661.60000114P542 E579P542-S544 PolarHBondContact O-N 3.23Å; S544-E579 VanDerWaalsContact CA-OE1 3.28Å; S544-E579 WeakPolarHBondContact CA-OE1 3.41Å; S544-E579 VanDerWaalsContact CB-CD 3.4Å; S544-E579 WeakPolarHBondContact CB-OE1 3.47Å; S544-E579 WeakPolarHBondContact CB-OE2 3.39Å
545M90.6Very high92.7Very high12 Ų1254 Ų546%0.05931%0.307CS..SBendtrans-136.3156.8-177.8-59.6-170.7-17400110.1V541 P542 K543 A576 N577 R581 K582 V583V541-M545 HydrophobicContact CB-CB 4.13Å; V541-M545 HydrophobicContact CG2-CB 3.86Å; P542-M545 PolarHBondContact O-N 3.03Å; K543-M545 PolarHBondContact O-N 3.11Å; M545-A576 WeakPolarHBondContact CA-O 3.06Å; M545-A576 WeakPolarHBondContact CB-O 3.39Å; M545-N577 HydrophobicContact CE-CB 4.48Å; M545-N577 VanDerWaalsContact CE-OD1 3.29Å; M545-N577 WeakPolarHBondContact CE-OD1 3.38Å; M545-N577 HydrophobicContact CG-CB 4.43Å; M545-N577 HydrophobicContact SD-CB 4.48Å; M545-R581 HydrophobicContact CE-CB 4.01Å; M545-R581 VanDerWaalsContact CE-O 3.29Å; M545-R581 WeakPolarHBondContact CE-O 3.34Å; M545-K582 VanDerWaalsContact CE-O 3.24Å; M545-K582 WeakPolarHBondContact CE-O 3.4Å; M545-V583 HydrophobicContact CE-CB 4.4Å; M545-V583 HydrophobicContact CE-CG2 4.29Å; M545-V583 HydrophobicContact SD-CB 4.41Å; M545-V583 HydrophobicContact SD-CG1 4.19Å; M545-V583 HydrophobicContact SD-CG2 4.47Å
546L91.3Very high92.6Very high75 Ų7560.2 Ų60.239%0.39333%0.33SS..EExtended strand (participates in β ladder)trans-115.8143.8174.7-56.2175.1000109.2P472 L474 L575 A576P472-L546 VanDerWaalsContact O-CD1 3.25Å; P472-L546 WeakPolarHBondContact O-CD1 3.43Å; L474-L546 HydrophobicContact CD1-CB 3.63Å; L474-L546 WeakPolarHBondContact CD1-O 3.26Å; L474-L546 HydrophobicContact CG-CB 4.09Å; L546-L575 WeakPolarHBondContact O-CA 3.4Å; L546-A576 HydrophobicContact CB-CB 4.33Å; L546-A576 PolarHBondContact N-O 3Å; L546-A576 PolarHBondContact O-N 2.81Å
547V93.5Very high92.4Very high45 Ų4557.3 Ų57.327%0.27331%0.312SS..EExtended strand (participates in β ladder)trans-131.4139.3174.765.10000110V539 V541 L573 L574 L575V539-V547 HydrophobicContact CG2-CG1 4.49Å; V539-V547 HydrophobicContact CG2-CG2 3.64Å; V541-V547 HydrophobicContact CG1-CB 3.95Å; V541-V547 HydrophobicContact CG1-CG1 4.28Å; V541-V547 HydrophobicContact CG1-CG2 4.44Å; V541-V547 HydrophobicContact CG2-CB 3.88Å; V541-V547 HydrophobicContact CG2-CG1 3.79Å; V547-L573 HydrophobicContact CG2-CD1 3.44Å; V547-L573 VanDerWaalsContact CG2-CD1 3.44Å; V547-L574 WeakPolarHBondContact CA-O 3.3Å; V547-L575 HydrophobicContact CB-CD2 3.98Å; V547-L575 HydrophobicContact CG2-CD2 3.71Å
548K93.4Very high92.2Very high51 Ų5160 Ų6022%0.22233%0.33CS..EExtended strand (participates in β ladder)trans-130.3127.4164.6174176.1174.5-174.70108.7L474 K475 I477 L574L474-K548 HydrophobicContact CB-CB 3.96Å; L474-K548 HydrophobicContact CD1-CB 4.27Å; L474-K548 WeakPolarHBondContact O-CD 3.4Å; K475-K548 PolarHBondContact O-NZ 3.27Å; I477-K548 PolarHBondContact O-NZ 3.46Å; K548-L574 HydrophobicContact CB-CB 4.33Å; K548-L574 HydrophobicContact CD-CD1 4.38Å; K548-L574 PolarHBondContact N-O 2.82Å; K548-L574 PolarHBondContact O-N 3.31Å
549L94.3Very high92Very high47 Ų4758 Ų5825%0.24633%0.327CS..EExtended strand (participates in β ladder)trans-100.7128.6170.1-165.968.4000107.8F537 V539 Q571 L573F537-L549 HydrophobicContact CD1-CD1 4.03Å; F537-L549 HydrophobicContact CD1-CD2 4.11Å; F537-L549 HydrophobicContact CE1-CD1 4.14Å; F537-L549 VanDerWaalsContact O-CD2 3.28Å; F537-L549 WeakPolarHBondContact O-CD2 3.41Å; V539-L549 HydrophobicContact CG2-CB 4.24Å; V539-L549 HydrophobicContact CG2-CD1 4.48Å; V539-L549 HydrophobicContact CG2-CD2 4.4Å; L549-Q571 HydrophobicContact CD1-CG 3.85Å; L549-Q571 HydrophobicContact CD2-CG 4.49Å; L549-Q571 HydrophobicContact CG-CG 3.96Å; L549-L573 HydrophobicContact CD1-CB 4.27Å; L549-L573 HydrophobicContact CD1-CD1 3.94Å
550Q94.6Very high91.9Very high8 Ų861.6 Ų61.64%0.03734%0.338CS..EExtended strand (participates in β ladder)trans-82.4168.8174.3-60.2-172.854.500109.9V479 Q571 V572V479-Q550 PolarHBondContact O-OE1 3.04Å; Q550-Q571 WeakPolarHBondContact O-CG 3.27Å; Q550-Q571 PolarHBondContact O-NE2 3.44Å; Q550-V572 HydrophobicContact CB-CB 4.19Å; Q550-V572 HydrophobicContact CG-CB 4.19Å; Q550-V572 PolarHBondContact N-O 2.95Å
551P93Very high91.6Very high109 Ų10962.2 Ų62.271%0.70833%0.334SS*.EExtended strand (participates in β ladder)trans-55.4145.9172.1-25.435.9000112.1
552A92.8Very high91.3Very high31 Ų3165.2 Ų65.226%0.25635%0.354SS..EExtended strand (participates in β ladder)trans-77148.7172.100000110.5Q554 V569 Q571A552-Q554 VanDerWaalsContact C-N 3.26Å; A552-Q554 PolarHBondContact O-N 3.13Å; A552-V569 HydrophobicContact CB-CG1 4.05Å; A552-Q571 HydrophobicContact CB-CB 4.16Å; A552-Q571 HydrophobicContact CB-CG 4.05Å
553S92.4Very high91.3Very high75 Ų7570.4 Ų70.452%0.52438%0.378SS..SBendtrans-62.3-32.5177.561.80000113.2S570S553-S570 PolarHBondContact N-O 3.36Å; S553-S570 PolarHBondContact OG-N 3.03Å; S553-S570 PolarHBondContact OG-O 3.14Å
554Q91.8Very high91.1Very high74 Ų7467.5 Ų67.535%0.34637%0.37SS..  trans-157.5161.217555.5-171.5-22.700110.1A552 R556 A568 V569A552-Q554 VanDerWaalsContact C-N 3.26Å; A552-Q554 PolarHBondContact O-N 3.13Å; Q554-R556 VanDerWaalsContact CD-O 3.31Å; Q554-R556 WeakPolarHBondContact CG-O 3.29Å; Q554-R556 PolarHBondContact OE1-O 2.99Å; Q554-A568 PolarHBondContact NE2-O 3.34Å; Q554-V569 HydrophobicContact CG-CB 4.49Å; Q554-V569 HydrophobicContact CG-CG2 3.86Å; Q554-V569 VanDerWaalsContact O-CG1 3.27Å; Q554-V569 WeakPolarHBondContact O-CG1 3.35Å
555T91.1Very high91Very high79 Ų7972.1 Ų72.149%0.48540%0.4SS..SBendtrans-11110.2176.554.70000112.8D534 F535D534-T555 PolarHBondContact N-O 2.7Å; D534-T555 VanDerWaalsContact N-O 3.13Å; F535-T555 WeakPolarHBondContact CB-O 3.47Å; F535-T555 PolarHBondContact N-O 2.92Å
556R92.5Very high90.6Very high135 Ų13574.5 Ų74.551%0.50942%0.416SS..  trans-139.2153.2179.5-57.9-164.4165.2-170.6-9.3110.5V532 D534 Q554V532-R556 CarbonylContact O-C 3.59Å; V532-R556 WeakPolarHBondContact O-CA 3.22Å; D534-R556 IonicContact OD1-NE 2.84Å; D534-R556 IonicContact OD1-NH2 2.7Å; D534-R556 PolarHBondContact OD1-NH2 3.42Å; Q554-R556 VanDerWaalsContact CD-O 3.31Å; Q554-R556 WeakPolarHBondContact CG-O 3.29Å; Q554-R556 PolarHBondContact OE1-O 2.99Å
557L93.1Very high90.3Very high2 Ų273.1 Ų73.11%0.0141%0.412CS..BIsolated β-bridgetrans-129.7128.1168.2-66.2168.9000108.2N526 V532 P567 V569N526-L557 HydrophobicContact CB-CB 3.85Å; N526-L557 HydrophobicContact CB-CD1 3.93Å; N526-L557 HydrophobicContact CB-CG 4.47Å; V532-L557 HydrophobicContact CB-CB 4.14Å; V532-L557 HydrophobicContact CG2-CB 4.49Å; V532-L557 PolarHBondContact N-O 3.27Å; V532-L557 PolarHBondContact O-N 3.18Å; L557-P567 HydrophobicContact CD2-CB 4.42Å; L557-P567 WeakPolarHBondContact CD2-O 3.13Å; L557-V569 HydrophobicContact CD1-CG2 4.16Å; L557-V569 HydrophobicContact CD2-CG2 3.9Å; L557-V569 HydrophobicContact CG-CG2 3.84Å
558P92.2Very high90.3Very high65 Ų6572.4 Ų72.442%0.42241%0.41SS..PPolyproline II helixtrans-67.5169.6172.432.5-37.4000110.9N526 P567N526-P558 PolarHBondContact ND2-O 3.41Å; P558-P567 HydrophobicContact CG-CG 3.56Å
559P91.9Very high90.3Very high61 Ų6170 Ų7040%0.39640%0.4SS..PPolyproline II helixtrans-59.2155.2171.1-19.933.1000112.1D531 N561D531-P559 HydrophobicContact CB-CG 4.1Å; P559-N561 PolarHBondContact O-N 3.2Å
560Y91.6Very high90.3Very high105 Ų10568.9 Ų68.941%0.41240%0.397SS..PPolyproline II helixtrans-62124.4176.7179.1-105.2000112.1T527 S528 P562 P566T527-Y560 VanDerWaalsContact C-CB 3.5Å; T527-Y560 HydrophobicContact CG2-CD2 4.24Å; T527-Y560 HydrophobicContact CG2-CE2 4.38Å; S528-Y560 VanDerWaalsContact O-CB 3.27Å; S528-Y560 WeakPolarHBondContact O-CB 3.46Å; S528-Y560 PolarHBondContact O-N 3.26Å; Y560-P562 HydrophobicContact CE1-CB 3.91Å; Y560-P566 HydrophobicContact CD2-CG 4.44Å; Y560-P566 HydrophobicContact CE2-CG 4.02Å
561N88.1Confident90.4Very high67 Ų6769.4 Ų69.436%0.35840%0.399SS..  trans-114.3112.9173.1-179.7-7.4000109P559 L563 L564P559-N561 PolarHBondContact O-N 3.2Å; N561-L563 PolarHBondContact O-N 2.92Å; N561-L563 VanDerWaalsContact O-N 3.09Å; N561-L563 WeakPolarHBondContact OD1-CB 3.34Å; N561-L563 PolarHBondContact OD1-N 2.8Å; N561-L564 PolarHBondContact O-N 3.33Å; N561-L564 VanDerWaalsContact O-O 3.12Å
562P86.9Confident90.5Very high96 Ų9664.7 Ų64.762%0.62337%0.368SS*.THydrogen-bonded Turntrans-68.6-7.2-177.329.3-36.2000114.4Y560Y560-P562 HydrophobicContact CE1-CB 3.91Å
563L89.4Confident90.6Very high153 Ų15363.2 Ų63.280%0.80136%0.356SS*.THydrogen-bonded Turntrans-92.3-5.7178.5-55179.4000113.5N561N561-L563 PolarHBondContact O-N 2.92Å; N561-L563 VanDerWaalsContact O-N 3.09Å; N561-L563 WeakPolarHBondContact OD1-CB 3.34Å; N561-L563 PolarHBondContact OD1-N 2.8Å
564L83.6Confident90.7Very high112 Ų11259.6 Ų59.659%0.58633%0.331SS*.SBendtrans-132.8153.8-176.4-67.3177.3000110.7N561N561-L564 PolarHBondContact O-N 3.33Å; N561-L564 VanDerWaalsContact O-O 3.12Å
565P82.8Confident90.7Very high112 Ų11256.6 Ų56.673%0.72732%0.317SS*.PPolyproline II helixtrans-59.7136171.525.7-34.2000110.2P567P565-P567 WeakPolarHBondContact O-CD 3.25Å
566P82.8Confident90.7Very high63 Ų6352.9 Ų52.941%0.40929%0.294SS..PPolyproline II helixtrans-59.1124.5-179.3-27.236.4000111.7V525 Y560V525-P566 HydrophobicContact CG1-CB 3.54Å; Y560-P566 HydrophobicContact CD2-CG 4.44Å; Y560-P566 HydrophobicContact CE2-CG 4.02Å
567P84.9Confident90.6Very high45 Ų4546.9 Ų46.929%0.29227%0.272SS..PPolyproline II helixtrans-67.6146.8175.525.6-30.6000110.5L557 P558 P565L557-P567 HydrophobicContact CD2-CB 4.42Å; L557-P567 WeakPolarHBondContact CD2-O 3.13Å; P558-P567 HydrophobicContact CG-CG 3.56Å; P565-P567 WeakPolarHBondContact O-CD 3.25Å
568A92.2Very high90.3Very high30 Ų3050.5 Ų50.525%0.24830%0.296CS..EExtended strand (participates in β ladder)trans-126.8140.5-17700000112.1A524 V525 Q554A524-A568 CarbonylContact O-C 3.54Å; A524-A568 VanDerWaalsContact O-CA 3.23Å; A524-A568 WeakPolarHBondContact O-CA 3.17Å; V525-A568 HydrophobicContact CG2-CB 4Å; Q554-A568 PolarHBondContact NE2-O 3.34Å
569V94.5Very high89.8Confident0 Ų052 Ų520%030%0.297CS..EExtended strand (participates in β ladder)trans-81.7123.5160.3177.20000106.6M522 S523 A524 F535 A552 Q554 L557M522-V569 HydrophobicContact CE-CG1 3.98Å; S523-V569 CarbonylContact C-O 3.44Å; S523-V569 VanDerWaalsContact CA-O 3.31Å; S523-V569 WeakPolarHBondContact CA-O 3.32Å; A524-V569 HydrophobicContact CB-CB 4.21Å; A524-V569 PolarHBondContact N-O 2.82Å; A524-V569 PolarHBondContact O-N 3.08Å; F535-V569 HydrophobicContact CD1-CB 4.42Å; F535-V569 HydrophobicContact CD1-CG1 3.93Å; F535-V569 HydrophobicContact CD1-CG2 4.23Å; F535-V569 HydrophobicContact CE1-CB 4.38Å; F535-V569 HydrophobicContact CE1-CG1 3.91Å; F535-V569 HydrophobicContact CG-CG2 4.26Å; A552-V569 HydrophobicContact CB-CG1 4.05Å; Q554-V569 HydrophobicContact CG-CB 4.49Å; Q554-V569 HydrophobicContact CG-CG2 3.86Å; Q554-V569 VanDerWaalsContact O-CG1 3.27Å; Q554-V569 WeakPolarHBondContact O-CG1 3.35Å; L557-V569 HydrophobicContact CD1-CG2 4.16Å; L557-V569 HydrophobicContact CD2-CG2 3.9Å; L557-V569 HydrophobicContact CG-CG2 3.84Å
570S95.1Very high89.4Confident25 Ų2553.8 Ų53.818%0.17531%0.311CS..EExtended strand (participates in β ladder)trans-115.2132.1174.4-64.40000109.4M522 S553M522-S570 CarbonylContact O-C 3.52Å; M522-S570 WeakPolarHBondContact O-CA 3.49Å; S553-S570 PolarHBondContact N-O 3.36Å; S553-S570 PolarHBondContact OG-N 3.03Å; S553-S570 PolarHBondContact OG-O 3.14Å
571Q95.6Very high89.1Confident19 Ų1955.9 Ų55.99%0.08932%0.318CS..EExtended strand (participates in β ladder)trans-140.7124177.5-164.2170.420.200111M522 L549 Q550 A552M522-Q571 HydrophobicContact CE-CB 3.58Å; M522-Q571 PolarHBondContact N-O 2.69Å; M522-Q571 PolarHBondContact O-N 3.08Å; L549-Q571 HydrophobicContact CD1-CG 3.85Å; L549-Q571 HydrophobicContact CD2-CG 4.49Å; L549-Q571 HydrophobicContact CG-CG 3.96Å; Q550-Q571 WeakPolarHBondContact O-CG 3.27Å; Q550-Q571 PolarHBondContact O-NE2 3.44Å; A552-Q571 HydrophobicContact CB-CB 4.16Å; A552-Q571 HydrophobicContact CB-CG 4.05Å
572V95.7Very high89Confident9 Ų958.9 Ų58.96%0.05533%0.328CS..EExtended strand (participates in β ladder)trans-83.1129-175.8-171.50000110.7L481 I484 V519 V521 Q550 L574L481-V572 HydrophobicContact CD1-CG2 4.22Å; I484-V572 HydrophobicContact CD1-CB 4.4Å; I484-V572 HydrophobicContact CD1-CG1 3.73Å; I484-V572 HydrophobicContact CD1-CG2 3.71Å; V519-V572 HydrophobicContact CG1-CG1 3.75Å; V521-V572 HydrophobicContact CG2-CG2 4.48Å; Q550-V572 HydrophobicContact CB-CB 4.19Å; Q550-V572 HydrophobicContact CG-CB 4.19Å; Q550-V572 PolarHBondContact N-O 2.95Å; V572-L574 HydrophobicContact CG1-CD2 4.31Å
573L95Very high89.1Confident0 Ų054.9 Ų54.90%030%0.302CS..EExtended strand (participates in β ladder)trans-110.9125.1178.7178.870.5000109.1L504 A520 V539 V547 L549 L575 L585L504-L573 HydrophobicContact CD1-CD2 3.87Å; L504-L573 HydrophobicContact CD2-CD2 4.21Å; A520-L573 HydrophobicContact CB-CB 4.31Å; A520-L573 HydrophobicContact CB-CD2 4.33Å; A520-L573 PolarHBondContact N-O 3.04Å; A520-L573 PolarHBondContact O-N 2.95Å; V539-L573 HydrophobicContact CB-CD1 4.44Å; V539-L573 HydrophobicContact CG1-CD1 4.29Å; V539-L573 HydrophobicContact CG2-CD1 3.81Å; V547-L573 HydrophobicContact CG2-CD1 3.44Å; V547-L573 VanDerWaalsContact CG2-CD1 3.44Å; L549-L573 HydrophobicContact CD1-CB 4.27Å; L549-L573 HydrophobicContact CD1-CD1 3.94Å; L573-L575 HydrophobicContact CD1-CD2 4.5Å; L573-L575 HydrophobicContact CD2-CD1 4.16Å; L573-L575 HydrophobicContact CD2-CG 4.31Å; L573-L575 HydrophobicContact CG-CD2 4.43Å; L573-L575 HydrophobicContact CG-CG 4.21Å; L573-L585 HydrophobicContact CD1-CD1 4.5Å; L573-L585 HydrophobicContact CD2-CD1 3.82Å
574L93.3Very high89.1Confident0 Ų051.3 Ų51.30%028%0.278CS..EExtended strand (participates in β ladder)trans-109.5131.1173.6-55.9177.8000109.2L474 I477 V479 V517 V519 V547 K548 V572L474-L574 HydrophobicContact CD2-CB 4.49Å; I477-L574 HydrophobicContact CB-CD1 3.96Å; I477-L574 HydrophobicContact CG2-CD1 3.78Å; V479-L574 HydrophobicContact CB-CD2 4.49Å; V479-L574 HydrophobicContact CG2-CD1 4.47Å; V479-L574 HydrophobicContact CG2-CD2 3.84Å; V517-L574 HydrophobicContact CG1-CB 4.25Å; V519-L574 HydrophobicContact CB-CD2 4.3Å; V519-L574 HydrophobicContact CG1-CD2 4.02Å; V519-L574 HydrophobicContact CG2-CD2 3.78Å; V547-L574 WeakPolarHBondContact CA-O 3.3Å; K548-L574 HydrophobicContact CB-CB 4.33Å; K548-L574 HydrophobicContact CD-CD1 4.38Å; K548-L574 PolarHBondContact N-O 2.82Å; K548-L574 PolarHBondContact O-N 3.31Å; V572-L574 HydrophobicContact CG1-CD2 4.31Å
575L92.6Very high89.6Confident10 Ų1046 Ų465%0.05225%0.25CS..EExtended strand (participates in β ladder)trans-125.5137.8180-65.2170.5000110.2V517 A518 V541 L546 V547 L573 L585 F607 W610V517-L575 CarbonylContact C-O 3.58Å; V517-L575 WeakPolarHBondContact CA-O 3.42Å; A518-L575 HydrophobicContact CB-CB 4.41Å; A518-L575 PolarHBondContact N-O 3.23Å; A518-L575 PolarHBondContact O-N 3.28Å; V541-L575 HydrophobicContact CG1-CD2 3.9Å; L546-L575 WeakPolarHBondContact O-CA 3.4Å; V547-L575 HydrophobicContact CB-CD2 3.98Å; V547-L575 HydrophobicContact CG2-CD2 3.71Å; L573-L575 HydrophobicContact CD1-CD2 4.5Å; L573-L575 HydrophobicContact CD2-CD1 4.16Å; L573-L575 HydrophobicContact CD2-CG 4.31Å; L573-L575 HydrophobicContact CG-CD2 4.43Å; L573-L575 HydrophobicContact CG-CG 4.21Å; L575-L585 HydrophobicContact CD2-CD1 4.03Å; L575-F607 HydrophobicContact CD1-CE1 4.39Å; L575-W610 HydrophobicContact CB-CH2 4.13Å; L575-W610 HydrophobicContact CB-CZ3 4.36Å
576A90.9Very high90.1Very high2 Ų247.7 Ų47.72%0.01724%0.242CC..EExtended strand (participates in β ladder)trans-130.2137.8168.800000110.8L474 V517 M545 L546 P578L474-A576 HydrophobicContact CD1-CB 4.33Å; L474-A576 HydrophobicContact CD2-CB 4.05Å; L474-A576 HydrophobicContact CG-CB 4.32Å; V517-A576 HydrophobicContact CG2-CB 4.31Å; M545-A576 WeakPolarHBondContact CA-O 3.06Å; M545-A576 WeakPolarHBondContact CB-O 3.39Å; L546-A576 HydrophobicContact CB-CB 4.33Å; L546-A576 PolarHBondContact N-O 3Å; L546-A576 PolarHBondContact O-N 2.81Å; A576-P578 VanDerWaalsContact C-CD 3.48Å; A576-P578 WeakPolarHBondContact O-CD 3.27Å
577N90.6Very high90.8Very high8 Ų846.1 Ų46.14%0.04323%0.228CC..  trans-122.769.9-176.7-173.98.5000110M545 E579 S580 R581 W610M545-N577 HydrophobicContact CE-CB 4.48Å; M545-N577 VanDerWaalsContact CE-OD1 3.29Å; M545-N577 WeakPolarHBondContact CE-OD1 3.38Å; M545-N577 HydrophobicContact CG-CB 4.43Å; M545-N577 HydrophobicContact SD-CB 4.48Å; N577-E579 PolarHBondContact O-N 3.45Å; N577-S580 PolarHBondContact O-N 3.22Å; N577-S580 VanDerWaalsContact O-N 3.09Å; N577-S580 WeakPolarHBondContact OD1-CA 3.48Å; N577-S580 PolarHBondContact OD1-N 3.18Å; N577-R581 PolarHBondContact ND2-N 3.49Å; N577-R581 PolarHBondContact ND2-O 3.14Å; N577-R581 PolarHBondContact OD1-N 3.1Å; N577-W610 HydrophobicContact CB-CD2 3.94Å; N577-W610 HydrophobicContact CB-CE3 4.25Å; N577-W610 HydrophobicContact CB-CH2 3.8Å; N577-W610 HydrophobicContact CB-CZ2 3.46Å; N577-W610 VanDerWaalsContact CB-CZ2 3.46Å; N577-W610 HydrophobicContact CB-CZ3 4.18Å
578P86.3Confident91.3Very high78 Ų7848.2 Ų48.251%0.50623%0.233SC..THydrogen-bonded Turntrans-65.4-21.3-174.128-36.1000113.4A576A576-P578 VanDerWaalsContact C-CD 3.48Å; A576-P578 WeakPolarHBondContact O-CD 3.27Å
579E81.7Confident91.5Very high97 Ų9746.9 Ų46.945%0.45322%0.221SC..THydrogen-bonded Turntrans-96.35.3176.6-64.5-176.1-137.200113.6S544 N577 R581S544-E579 VanDerWaalsContact CA-OE1 3.28Å; S544-E579 WeakPolarHBondContact CA-OE1 3.41Å; S544-E579 VanDerWaalsContact CB-CD 3.4Å; S544-E579 WeakPolarHBondContact CB-OE1 3.47Å; S544-E579 WeakPolarHBondContact CB-OE2 3.39Å; N577-E579 PolarHBondContact O-N 3.45Å; E579-R581 HydrophobicContact CB-CG 3.94Å; E579-R581 PolarHBondContact O-N 2.96Å; E579-R581 IonicContact OE2-CZ 2.72Å; E579-R581 IonicContact OE2-NE 2.7Å; E579-R581 PolarHBondContact OE2-NE 3.42Å; E579-R581 IonicContact OE2-NH2 2.74Å; E579-R581 PolarHBondContact OE2-NH2 3.19Å
580S83.9Confident91.6Very high98 Ų9847.7 Ų47.769%0.68523%0.227SC*.  trans49.832179.6-62.40000115.2N577N577-S580 PolarHBondContact O-N 3.22Å; N577-S580 VanDerWaalsContact O-N 3.09Å; N577-S580 WeakPolarHBondContact OD1-CA 3.48Å; N577-S580 PolarHBondContact OD1-N 3.18Å
581R85.2Confident91.6Very high149 Ų14946.6 Ų46.656%0.56222%0.218SC*.PPolyproline II helixtrans-81.6169.2-179.2-59.6-163.5-168.8-128.25.3112M545 N577 E579 V583M545-R581 HydrophobicContact CE-CB 4.01Å; M545-R581 VanDerWaalsContact CE-O 3.29Å; M545-R581 WeakPolarHBondContact CE-O 3.34Å; N577-R581 PolarHBondContact ND2-N 3.49Å; N577-R581 PolarHBondContact ND2-O 3.14Å; N577-R581 PolarHBondContact OD1-N 3.1Å; E579-R581 HydrophobicContact CB-CG 3.94Å; E579-R581 PolarHBondContact O-N 2.96Å; E579-R581 IonicContact OE2-CZ 2.72Å; E579-R581 IonicContact OE2-NE 2.7Å; E579-R581 PolarHBondContact OE2-NE 3.42Å; E579-R581 IonicContact OE2-NH2 2.74Å; E579-R581 PolarHBondContact OE2-NH2 3.19Å; R581-V583 PolarHBondContact O-N 2.8Å
582K85.3Confident91.6Very high130 Ų13046.7 Ų46.757%0.56522%0.221SC*.PPolyproline II helixtrans-55.7120.9170.8-176.8-170174.7-170.40109.9M545 E605M545-K582 VanDerWaalsContact CE-O 3.24Å; M545-K582 WeakPolarHBondContact CE-O 3.4Å; K582-E605 WeakPolarHBondContact CE-O 3.33Å; K582-E605 PolarHBondContact NZ-O 2.85Å; K582-E605 IonicContact NZ-OE2 3.75Å; K582-E605 PolarHBondContact NZ-OE2 2.9Å
583V88.8Confident91.5Very high13 Ų1347.5 Ų47.58%0.07922%0.224CC..PPolyproline II helixtrans-66132.3178.7-170.30000110.4M545 R581 F607 W610M545-V583 HydrophobicContact CE-CB 4.4Å; M545-V583 HydrophobicContact CE-CG2 4.29Å; M545-V583 HydrophobicContact SD-CB 4.41Å; M545-V583 HydrophobicContact SD-CG1 4.19Å; M545-V583 HydrophobicContact SD-CG2 4.47Å; R581-V583 PolarHBondContact O-N 2.8Å; V583-F607 HydrophobicContact CB-CB 4Å; V583-F607 HydrophobicContact CB-CD2 3.84Å; V583-F607 HydrophobicContact CB-CG 3.96Å; V583-F607 HydrophobicContact CG1-CB 4.27Å; V583-F607 HydrophobicContact CG1-CD1 4.15Å; V583-F607 HydrophobicContact CG1-CD2 3.51Å; V583-F607 HydrophobicContact CG1-CE1 4.39Å; V583-F607 HydrophobicContact CG1-CE2 3.78Å; V583-F607 HydrophobicContact CG1-CG 3.7Å; V583-F607 HydrophobicContact CG1-CZ 4.22Å; V583-W610 HydrophobicContact CG2-CD2 4.49Å; V583-W610 HydrophobicContact CG2-CE3 3.65Å; V583-W610 HydrophobicContact CG2-CZ3 4.13Å
584R89.4Confident91.2Very high77 Ų7748 Ų4829%0.29123%0.228SC..  trans-138.5139.6173.1-63.1172.265.9129.89.6108.2P542 E603 I604 E605P542-R584 WeakPolarHBondContact CD-O 3.39Å; P542-R584 HydrophobicContact CG-CB 3.92Å; R584-E603 IonicContact CZ-OE1 3.63Å; R584-E603 IonicContact NE-OE1 3.17Å; R584-E603 PolarHBondContact NE-OE1 2.67Å; R584-E603 IonicContact NH2-OE1 3.73Å; R584-E603 PolarHBondContact NH2-OE1 2.93Å; R584-E603 IonicContact NH2-OE2 2.75Å; R584-E603 PolarHBondContact NH2-OE2 2.81Å; R584-I604 WeakPolarHBondContact CA-O 3.43Å; R584-E605 HydrophobicContact CG-CG 4.43Å; R584-E605 IonicContact CZ-OE1 2.67Å; R584-E605 IonicContact NE-OE1 3.16Å; R584-E605 IonicContact NH1-OE1 3.63Å; R584-E605 PolarHBondContact NH1-OE1 2.67Å; R584-E605 VanDerWaalsContact NH1-OE1 3.11Å; R584-E605 IonicContact NH1-OE2 2.67Å; R584-E605 IonicContact NH2-OE1 2.77Å; R584-E605 PolarHBondContact NH2-OE1 3.45Å
585L94.1Very high91Very high1 Ų155.7 Ų55.71%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-139122.6175.6-176.2141.7000110V539 V541 L573 L575 I604 F607V539-L585 HydrophobicContact CB-CD1 4.29Å; V539-L585 HydrophobicContact CB-CD2 4.4Å; V539-L585 HydrophobicContact CB-CG 4.47Å; V539-L585 HydrophobicContact CG1-CD1 4.36Å; V539-L585 HydrophobicContact CG1-CD2 4.05Å; V541-L585 HydrophobicContact CG1-CB 4.41Å; V541-L585 HydrophobicContact CG1-CD1 4.07Å; V541-L585 HydrophobicContact CG1-CG 4.3Å; L573-L585 HydrophobicContact CD1-CD1 4.5Å; L573-L585 HydrophobicContact CD2-CD1 3.82Å; L575-L585 HydrophobicContact CD2-CD1 4.03Å; L585-I604 HydrophobicContact CB-CD1 4.49Å; L585-I604 HydrophobicContact CD2-CD1 3.85Å; L585-I604 HydrophobicContact CD2-CG1 4.49Å; L585-I604 PolarHBondContact N-O 2.93Å; L585-I604 PolarHBondContact O-N 2.7Å; L585-F607 HydrophobicContact CB-CE2 3.76Å; L585-F607 HydrophobicContact CB-CZ 3.63Å; L585-F607 HydrophobicContact CD1-CZ 4.5Å
586R94.9Very high91Very high147 Ų14762 Ų6256%0.55530%0.299SS*.EExtended strand (participates in β ladder)trans-88.8136.4166.9-69.8179.5175.4-179.3-4108.5V539 A540 G602 E603V539-R586 CarbonylContact C-O 3.58Å; V539-R586 WeakPolarHBondContact CA-O 3.38Å; A540-R586 HydrophobicContact CB-CB 4.48Å; A540-R586 PolarHBondContact N-O 2.88Å; A540-R586 PolarHBondContact O-N 3.07Å; R586-G602 WeakPolarHBondContact CA-O 3.25Å; R586-E603 HydrophobicContact CG-CB 3.98Å; R586-E603 HydrophobicContact CG-CG 3.76Å; R586-E603 IonicContact CZ-OE2 3.23Å; R586-E603 IonicContact NE-OE1 3.26Å; R586-E603 IonicContact NE-OE2 3.48Å; R586-E603 PolarHBondContact NE-OE2 2.75Å; R586-E603 IonicContact NH2-OE2 3.1Å; R586-E603 PolarHBondContact NH2-OE2 2.94Å
587Y96.3Very high91.1Very high30 Ų3070.7 Ų70.712%0.11833%0.331CS..EExtended strand (participates in β ladder)trans-122.3154.2172.167.6-89.8000110.5L494 F537 Q538 A601 G602 I604L494-Y587 HydrophobicContact CB-CE1 4.36Å; L494-Y587 HydrophobicContact CB-CE2 4.27Å; L494-Y587 HydrophobicContact CD2-CD1 4.3Å; L494-Y587 HydrophobicContact CD2-CE1 4.18Å; L494-Y587 PolarHBondContact O-OH 3.01Å; F537-Y587 HydrophobicContact CE2-CD2 4.43Å; F537-Y587 HydrophobicContact CE2-CG 4.28Å; Q538-Y587 CarbonylContact O-C 3.54Å; Q538-Y587 VanDerWaalsContact O-CA 3.25Å; Q538-Y587 WeakPolarHBondContact O-CA 3.47Å; Y587-A601 WeakPolarHBondContact O-CA 3.42Å; Y587-G602 WeakPolarHBondContact CD1-O 3.31Å; Y587-G602 PolarHBondContact N-O 3.16Å; Y587-G602 PolarHBondContact O-N 2.9Å; Y587-G602 VanDerWaalsContact O-N 3.1Å; Y587-I604 HydrophobicContact CD1-CD1 4.36Å; Y587-I604 HydrophobicContact CD1-CG1 4.08Å; Y587-I604 HydrophobicContact CE1-CG1 4.2Å
588K96.4Very high91.2Very high89 Ų8972.2 Ų72.239%0.38734%0.339SS..EExtended strand (participates in β ladder)trans-131.6123.7166.4179.9-178.9178.4-1780108.1Q538 V599 E600 A601Q538-K588 HydrophobicContact CB-CB 4.32Å; Q538-K588 PolarHBondContact N-O 2.72Å; Q538-K588 PolarHBondContact O-N 3.48Å; K588-V599 HydrophobicContact CD-CG1 4.5Å; K588-V599 VanDerWaalsContact CE-CG1 3.41Å; K588-V599 HydrophobicContact CG-CG1 4.37Å; K588-E600 CarbonylContact C-O 3.54Å; K588-E600 WeakPolarHBondContact CA-O 3.38Å; K588-A601 HydrophobicContact CB-CB 4.42Å; K588-A601 HydrophobicContact CG-CB 4.46Å
589L96.1Very high91.6Very high2 Ų272.2 Ų72.21%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-102.5139173.7176.762.1000108.2Y495 V502 F535 L591 V599 E600Y495-L589 HydrophobicContact CD1-CD2 4.23Å; Y495-L589 HydrophobicContact CG-CD2 4.08Å; V502-L589 HydrophobicContact CG2-CD2 3.92Å; F535-L589 HydrophobicContact CD2-CD1 4.12Å; F535-L589 HydrophobicContact CE1-CD1 4.19Å; F535-L589 HydrophobicContact CE2-CD1 3.51Å; F535-L589 HydrophobicContact CZ-CD1 3.53Å; L589-L591 HydrophobicContact CD1-CD2 4.29Å; L589-L591 HydrophobicContact CD2-CD2 3.98Å; L589-L591 HydrophobicContact CG-CD2 4.11Å; L589-V599 WeakPolarHBondContact O-CA 3.11Å; L589-E600 HydrophobicContact CB-CB 4.31Å; L589-E600 PolarHBondContact N-O 3.12Å; L589-E600 PolarHBondContact O-N 3.04Å
590T96.2Very high92.1Very high18 Ų1871.2 Ų71.211%0.1133%0.333CS..EExtended strand (participates in β ladder)trans-138.3132171.3-650000108F535 V536 L598 V599F535-T590 WeakPolarHBondContact CA-O 3.14Å; V536-T590 PolarHBondContact N-O 3.12Å; V536-T590 PolarHBondContact O-N 3.45Å; T590-L598 WeakPolarHBondContact CA-O 3.44Å; T590-V599 HydrophobicContact CG2-CG2 4.07Å
591L95.1Very high92.6Very high1 Ų169.8 Ų69.81%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-155.1163.7-179.160.483.8000110.4I500 V532 F535 L589 H593 L598I500-L591 HydrophobicContact CD1-CD1 3.84Å; I500-L591 HydrophobicContact CD1-CD2 4.03Å; I500-L591 HydrophobicContact CG2-CD2 4.3Å; V532-L591 HydrophobicContact CG1-CB 3.79Å; V532-L591 HydrophobicContact CG1-CD1 4.18Å; V532-L591 HydrophobicContact CG1-CD2 4.28Å; V532-L591 HydrophobicContact CG1-CG 4.31Å; F535-L591 HydrophobicContact CD2-CB 4.34Å; F535-L591 HydrophobicContact CD2-CD2 4.28Å; F535-L591 HydrophobicContact CE2-CD2 4.45Å; L589-L591 HydrophobicContact CD1-CD2 4.29Å; L589-L591 HydrophobicContact CD2-CD2 3.98Å; L589-L591 HydrophobicContact CG-CD2 4.11Å; L591-H593 HydrophobicContact CD1-CB 3.91Å; L591-L598 HydrophobicContact CD1-CB 3.9Å; L591-L598 HydrophobicContact CD1-CD2 4.35Å; L591-L598 HydrophobicContact CG-CB 4.34Å; L591-L598 HydrophobicContact CG-CD2 4.22Å; L591-L598 PolarHBondContact N-O 2.96Å; L591-L598 PolarHBondContact O-N 3.03Å
592T95.3Very high93Very high22 Ų2263.7 Ų63.714%0.13531%0.311CS..EExtended strand (participates in β ladder)trans-117.7112.8171.8-48.60000108.1V532 K533 D534 Q596V532-T592 CarbonylContact C-O 3.59Å; V532-T592 WeakPolarHBondContact CA-O 3.43Å; K533-T592 PolarHBondContact N-O 3.5Å; K533-T592 PolarHBondContact O-N 3.29Å; D534-T592 PolarHBondContact OD2-OG1 3.35Å; T592-Q596 CarbonylContact C-O 3.54Å; T592-Q596 WeakPolarHBondContact CA-O 3.39Å
593H93.4Very high93.4Very high26 Ų2660.6 Ų60.612%0.1230%0.298CS..EExtended strand (participates in β ladder)trans-101.6109.1-178.1-174-151.4000109.6A498 I500 S528 L591 D595 Q596A498-H593 PolarHBondContact O-CE1 2.99Å; I500-H593 HydrophobicContact CD1-CB 4.13Å; S528-H593 PolarHBondContact OG-NE2 3.26Å; L591-H593 HydrophobicContact CD1-CB 3.91Å; H593-D595 PolarHBondContact O-N 2.96Å; H593-Q596 PolarHBondContact N-O 3.41Å; H593-Q596 PolarHBondContact O-N 3.36Å
594G90.3Very high93.5Very high9 Ų960.6 Ų60.69%0.09330%0.298CS..THydrogen-bonded Turntrans57.7-108.9-162.300000110.5D531 K533D531-G594 PolarHBondContact O-N 3.05Å; K533-G594 PolarHBondContact NZ-O 2.64Å
595D89Confident93.3Very high163 Ų16360.5 Ų60.587%0.87230%0.301SS*.THydrogen-bonded Turntrans-104.2-9175.3-58.6-51.7000113.5H593H593-D595 PolarHBondContact O-N 2.96Å
596Q91.3Very high92.8Very high142 Ų14266.1 Ų66.166%0.66434%0.335SS*.EExtended strand (participates in β ladder)trans-90114.7-176.6-172.6173.67.500111.4T592 H593T592-Q596 CarbonylContact C-O 3.54Å; T592-Q596 WeakPolarHBondContact CA-O 3.39Å; H593-Q596 PolarHBondContact N-O 3.41Å; H593-Q596 PolarHBondContact O-N 3.36Å
597R92.9Very high92.5Very high185 Ų18560.5 Ų60.570%0.69832%0.315SS*.EExtended strand (participates in β ladder)trans-76.6126.8170.7-168179.1-176.8-172.53.2110.9
598L92.9Very high92Very high39 Ų3960.7 Ų60.720%0.20432%0.32CS..EExtended strand (participates in β ladder)trans-118140.9179.5-174.7134.1000110.6Y495 T590 L591 E600Y495-L598 HydrophobicContact CE2-CD2 4.21Å; Y495-L598 WeakPolarHBondContact OH-CD1 3.26Å; T590-L598 WeakPolarHBondContact CA-O 3.44Å; L591-L598 HydrophobicContact CD1-CB 3.9Å; L591-L598 HydrophobicContact CD1-CD2 4.35Å; L591-L598 HydrophobicContact CG-CB 4.34Å; L591-L598 HydrophobicContact CG-CD2 4.22Å; L591-L598 PolarHBondContact N-O 2.96Å; L591-L598 PolarHBondContact O-N 3.03Å; L598-E600 HydrophobicContact CD2-CB 4.08Å
599V94.6Very high91.4Very high79 Ų7961.5 Ų61.548%0.47933%0.328SS..EExtended strand (participates in β ladder)trans-135.5112.3174.8-179.70000107.5K588 L589 T590K588-V599 HydrophobicContact CD-CG1 4.5Å; K588-V599 VanDerWaalsContact CE-CG1 3.41Å; K588-V599 HydrophobicContact CG-CG1 4.37Å; L589-V599 WeakPolarHBondContact O-CA 3.11Å; T590-V599 HydrophobicContact CG2-CG2 4.07Å
600E93.8Very high90.9Very high75 Ų7563.1 Ų63.135%0.3533%0.334SS..EExtended strand (participates in β ladder)trans-113.9145.5179.6-178.366.4-173.200109.4Y495 K588 L589 L598Y495-E600 HydrophobicContact CD2-CB 4.36Å; Y495-E600 HydrophobicContact CD2-CG 3.89Å; Y495-E600 HydrophobicContact CE2-CB 4.48Å; Y495-E600 HydrophobicContact CE2-CG 4.3Å; K588-E600 CarbonylContact C-O 3.54Å; K588-E600 WeakPolarHBondContact CA-O 3.38Å; L589-E600 HydrophobicContact CB-CB 4.31Å; L589-E600 PolarHBondContact N-O 3.12Å; L589-E600 PolarHBondContact O-N 3.04Å; L598-E600 HydrophobicContact CD2-CB 4.08Å
601A94.4Very high90.2Very high69 Ų6965.3 Ų65.357%0.5735%0.348SS*.EExtended strand (participates in β ladder)trans-147.1136.7175.600000111.5Y587 K588Y587-A601 WeakPolarHBondContact O-CA 3.42Å; K588-A601 HydrophobicContact CB-CB 4.42Å; K588-A601 HydrophobicContact CG-CB 4.46Å
602G92.6Very high89.5Confident21 Ų2169.9 Ų69.922%0.21637%0.371CS..EExtended strand (participates in β ladder)trans-151.4173.1-177.300000113.2R586 Y587R586-G602 WeakPolarHBondContact CA-O 3.25Å; Y587-G602 WeakPolarHBondContact CD1-O 3.31Å; Y587-G602 PolarHBondContact N-O 3.16Å; Y587-G602 PolarHBondContact O-N 2.9Å; Y587-G602 VanDerWaalsContact O-N 3.1Å
603E92.8Very high88.8Confident65 Ų6569.2 Ų69.230%0.30437%0.367SS..EExtended strand (participates in β ladder)trans-126.6126.4177.3-172.1165.3-178.800111.8R584 R586 E605R584-E603 IonicContact CZ-OE1 3.63Å; R584-E603 IonicContact NE-OE1 3.17Å; R584-E603 PolarHBondContact NE-OE1 2.67Å; R584-E603 IonicContact NH2-OE1 3.73Å; R584-E603 PolarHBondContact NH2-OE1 2.93Å; R584-E603 IonicContact NH2-OE2 2.75Å; R584-E603 PolarHBondContact NH2-OE2 2.81Å; R586-E603 HydrophobicContact CG-CB 3.98Å; R586-E603 HydrophobicContact CG-CG 3.76Å; R586-E603 IonicContact CZ-OE2 3.23Å; R586-E603 IonicContact NE-OE1 3.26Å; R586-E603 IonicContact NE-OE2 3.48Å; R586-E603 PolarHBondContact NE-OE2 2.75Å; R586-E603 IonicContact NH2-OE2 3.1Å; R586-E603 PolarHBondContact NH2-OE2 2.94Å; E603-E605 HydrophobicContact CG-CG 4.28Å
604I91.8Very high88Confident13 Ų1368.2 Ų68.27%0.06736%0.362CS..EExtended strand (participates in β ladder)trans-90.9107.1172.8-46.7172.5000107.7I492 L494 L504 R584 L585 Y587 F607I492-I604 HydrophobicContact CD1-CG2 3.7Å; I492-I604 HydrophobicContact CG2-CD1 4.45Å; I492-I604 HydrophobicContact CG2-CG2 4.21Å; L494-I604 HydrophobicContact CD2-CD1 3.44Å; L494-I604 VanDerWaalsContact CD2-CD1 3.44Å; L494-I604 HydrophobicContact CD2-CG1 4.04Å; L504-I604 HydrophobicContact CD2-CD1 4.35Å; R584-I604 WeakPolarHBondContact CA-O 3.43Å; L585-I604 HydrophobicContact CB-CD1 4.49Å; L585-I604 HydrophobicContact CD2-CD1 3.85Å; L585-I604 HydrophobicContact CD2-CG1 4.49Å; L585-I604 PolarHBondContact N-O 2.93Å; L585-I604 PolarHBondContact O-N 2.7Å; Y587-I604 HydrophobicContact CD1-CD1 4.36Å; Y587-I604 HydrophobicContact CD1-CG1 4.08Å; Y587-I604 HydrophobicContact CE1-CG1 4.2Å; I604-F607 HydrophobicContact CB-CD2 4.45Å; I604-F607 HydrophobicContact CB-CE2 3.67Å; I604-F607 HydrophobicContact CB-CZ 4.08Å; I604-F607 HydrophobicContact CD1-CZ 4.07Å; I604-F607 HydrophobicContact CG2-CD2 3.82Å; I604-F607 HydrophobicContact CG2-CE2 3.44Å; I604-F607 VanDerWaalsContact CG2-CE2 3.44Å; I604-F607 HydrophobicContact CG2-CZ 3.85Å
605E85Confident86.7Confident75 Ų7570 Ų7035%0.3538%0.381SS..  trans-99.6-9.2173.4-80.2-139.9-158.400113.9K582 R584 E603K582-E605 WeakPolarHBondContact CE-O 3.33Å; K582-E605 PolarHBondContact NZ-O 2.85Å; K582-E605 IonicContact NZ-OE2 3.75Å; K582-E605 PolarHBondContact NZ-OE2 2.9Å; R584-E605 HydrophobicContact CG-CG 4.43Å; R584-E605 IonicContact CZ-OE1 2.67Å; R584-E605 IonicContact NE-OE1 3.16Å; R584-E605 IonicContact NH1-OE1 3.63Å; R584-E605 PolarHBondContact NH1-OE1 2.67Å; R584-E605 VanDerWaalsContact NH1-OE1 3.11Å; R584-E605 IonicContact NH1-OE2 2.67Å; R584-E605 IonicContact NH2-OE1 2.77Å; R584-E605 PolarHBondContact NH2-OE1 3.45Å; E603-E605 HydrophobicContact CG-CG 4.28Å
606T84.3Confident85.2Confident119 Ų11966.8 Ų66.873%0.7336%0.361SS*.  trans-118.786.6-174.1-51.40000109.5I492I492-T606 WeakPolarHBondContact CD1-O 3.28Å
607F89.1Confident83Confident29 Ų2973.6 Ų73.613%0.12739%0.388CS..PPolyproline II helixtrans-95.2154.1170.3-82.1-92.2000110.9I492 L504 F506 L575 V583 L585 I604 L613I492-F607 HydrophobicContact CD1-CD1 4.41Å; L504-F607 HydrophobicContact CD2-CE1 4.1Å; F506-F607 HydrophobicContact CE1-CD1 4Å; F506-F607 HydrophobicContact CE1-CE1 4.04Å; F506-F607 HydrophobicContact CZ-CD1 4.04Å; F506-F607 HydrophobicContact CZ-CE1 4.22Å; L575-F607 HydrophobicContact CD1-CE1 4.39Å; V583-F607 HydrophobicContact CB-CB 4Å; V583-F607 HydrophobicContact CB-CD2 3.84Å; V583-F607 HydrophobicContact CB-CG 3.96Å; V583-F607 HydrophobicContact CG1-CB 4.27Å; V583-F607 HydrophobicContact CG1-CD1 4.15Å; V583-F607 HydrophobicContact CG1-CD2 3.51Å; V583-F607 HydrophobicContact CG1-CE1 4.39Å; V583-F607 HydrophobicContact CG1-CE2 3.78Å; V583-F607 HydrophobicContact CG1-CG 3.7Å; V583-F607 HydrophobicContact CG1-CZ 4.22Å; L585-F607 HydrophobicContact CB-CE2 3.76Å; L585-F607 HydrophobicContact CB-CZ 3.63Å; L585-F607 HydrophobicContact CD1-CZ 4.5Å; I604-F607 HydrophobicContact CB-CD2 4.45Å; I604-F607 HydrophobicContact CB-CE2 3.67Å; I604-F607 HydrophobicContact CB-CZ 4.08Å; I604-F607 HydrophobicContact CD1-CZ 4.07Å; I604-F607 HydrophobicContact CG2-CD2 3.82Å; I604-F607 HydrophobicContact CG2-CE2 3.44Å; I604-F607 VanDerWaalsContact CG2-CE2 3.44Å; I604-F607 HydrophobicContact CG2-CZ 3.85Å; F607-L613 HydrophobicContact CB-CD1 4.27Å; F607-L613 HydrophobicContact CD1-CD1 4.29Å
608P85.1Confident82.5Confident34 Ų3468 Ų6822%0.22137%0.372CS..PPolyproline II helixtrans-55.9161.9164-22.833.8000112.2L489 F506 W610 L613L489-P608 HydrophobicContact CD1-CB 4.07Å; L489-P608 HydrophobicContact CD1-CG 4.16Å; L489-P608 HydrophobicContact CD2-CB 4.11Å; L489-P608 HydrophobicContact CD2-CG 4.38Å; F506-P608 HydrophobicContact CD2-CG 4.2Å; F506-P608 HydrophobicContact CE2-CG 3.85Å; F506-P608 HydrophobicContact CZ-CG 4.29Å; P608-W610 PolarHBondContact O-N 3.48Å; P608-L613 HydrophobicContact CB-CD1 4.45Å; P608-L613 HydrophobicContact CB-CD2 4.01Å; P608-L613 HydrophobicContact CB-CG 4.06Å; P608-L613 HydrophobicContact CG-CD2 4.09Å; P608-L613 VanDerWaalsContact O-CD1 3.26Å; P608-L613 WeakPolarHBondContact O-CD1 3.31Å
609N84.6Confident82Confident105 Ų10569.5 Ų69.556%0.56138%0.381SS*.PPolyproline II helixtrans-59.8135.5-178.8-169.5-20000111.2T611 I612 L613N609-T611 VanDerWaalsContact C-N 3.29Å; N609-T611 PolarHBondContact O-N 2.92Å; N609-T611 PolarHBondContact OD1-N 3.1Å; N609-T611 PolarHBondContact OD1-OG1 3.25Å; N609-I612 HydrophobicContact CB-CD1 3.98Å; N609-I612 HydrophobicContact CB-CG1 4.14Å; N609-I612 WeakPolarHBondContact O-CB 3.16Å; N609-I612 PolarHBondContact O-N 2.89Å; N609-L613 PolarHBondContact O-N 2.57Å
610W84.2Confident81.3Confident37 Ų3769 Ų6914%0.1438%0.376CS..Hα-helixtrans-59.5-33.9-173-174.5-106.3000113.9G516 A518 L575 N577 V583 P608 I612 L613 T614G516-W610 WeakPolarHBondContact O-CZ2 3.26Å; A518-W610 HydrophobicContact CB-CH2 3.66Å; A518-W610 HydrophobicContact CB-CZ2 4.4Å; A518-W610 HydrophobicContact CB-CZ3 3.75Å; L575-W610 HydrophobicContact CB-CH2 4.13Å; L575-W610 HydrophobicContact CB-CZ3 4.36Å; N577-W610 HydrophobicContact CB-CD2 3.94Å; N577-W610 HydrophobicContact CB-CE3 4.25Å; N577-W610 HydrophobicContact CB-CH2 3.8Å; N577-W610 HydrophobicContact CB-CZ2 3.46Å; N577-W610 VanDerWaalsContact CB-CZ2 3.46Å; N577-W610 HydrophobicContact CB-CZ3 4.18Å; V583-W610 HydrophobicContact CG2-CD2 4.49Å; V583-W610 HydrophobicContact CG2-CE3 3.65Å; V583-W610 HydrophobicContact CG2-CZ3 4.13Å; P608-W610 PolarHBondContact O-N 3.48Å; W610-I612 VanDerWaalsContact C-N 3.33Å; W610-I612 PolarHBondContact O-N 3.42Å; W610-L613 HydrophobicContact CE3-CB 4.4Å; W610-L613 HydrophobicContact CE3-CD1 4.14Å; W610-L613 PolarHBondContact O-N 3.37Å; W610-T614 HydrophobicContact CD2-CG2 4.21Å; W610-T614 HydrophobicContact CH2-CG2 4.35Å; W610-T614 HydrophobicContact CZ2-CG2 3.71Å; W610-T614 PolarHBondContact O-N 2.67Å; W610-T614 VanDerWaalsContact O-N 3.09Å; W610-T614 PolarHBondContact O-OG1 3.42Å
611T81.1Confident80.6Confident64 Ų6468.6 Ų68.639%0.39338%0.377SS..Hα-helixtrans-61.6-43.2174.1510000111.4N609 T614 G615 Q616N609-T611 VanDerWaalsContact C-N 3.29Å; N609-T611 PolarHBondContact O-N 2.92Å; N609-T611 PolarHBondContact OD1-N 3.1Å; N609-T611 PolarHBondContact OD1-OG1 3.25Å; T611-T614 CarbonylContact O-C 3.54Å; T611-T614 PolarHBondContact O-N 2.55Å; T611-T614 PolarHBondContact O-OG1 3.27Å; T611-G615 PolarHBondContact O-N 3.01Å; T611-G615 VanDerWaalsContact O-N 3.08Å; T611-Q616 PolarHBondContact O-N 3.43Å
612I81.8Confident79.7Confident96 Ų9668.6 Ų68.649%0.49237%0.365SS..Hα-helixtrans-68.6-41.4177.8-47.1175.4000110.6L489 N609 W610 T614 G615L489-I612 HydrophobicContact CD1-CG2 4.26Å; L489-I612 HydrophobicContact CD2-CG2 4.07Å; N609-I612 HydrophobicContact CB-CD1 3.98Å; N609-I612 HydrophobicContact CB-CG1 4.14Å; N609-I612 WeakPolarHBondContact O-CB 3.16Å; N609-I612 PolarHBondContact O-N 2.89Å; W610-I612 VanDerWaalsContact C-N 3.33Å; W610-I612 PolarHBondContact O-N 3.42Å; I612-T614 PolarHBondContact O-N 2.61Å; I612-G615 PolarHBondContact O-N 2.95Å
613L79.1Confident78.9Confident9 Ų971.8 Ų71.85%0.04738%0.375CS..Hα-helixtrans-64.8-16.2175.4-70.3176.5000114.4L489 F506 A518 F607 P608 N609 W610L489-L613 HydrophobicContact CD1-CD2 3.83Å; F506-L613 HydrophobicContact CB-CD2 4.1Å; F506-L613 HydrophobicContact CD1-CD2 3.39Å; F506-L613 HydrophobicContact CD2-CD2 4.31Å; F506-L613 HydrophobicContact CE1-CD2 3.83Å; F506-L613 HydrophobicContact CG-CD2 3.66Å; F506-L613 HydrophobicContact CZ-CD2 4.45Å; A518-L613 HydrophobicContact CB-CB 4.08Å; A518-L613 VanDerWaalsContact CB-O 3.28Å; A518-L613 WeakPolarHBondContact CB-O 3.4Å; F607-L613 HydrophobicContact CB-CD1 4.27Å; F607-L613 HydrophobicContact CD1-CD1 4.29Å; P608-L613 HydrophobicContact CB-CD1 4.45Å; P608-L613 HydrophobicContact CB-CD2 4.01Å; P608-L613 HydrophobicContact CB-CG 4.06Å; P608-L613 HydrophobicContact CG-CD2 4.09Å; P608-L613 VanDerWaalsContact O-CD1 3.26Å; P608-L613 WeakPolarHBondContact O-CD1 3.31Å; N609-L613 PolarHBondContact O-N 2.57Å; W610-L613 HydrophobicContact CE3-CB 4.4Å; W610-L613 HydrophobicContact CE3-CD1 4.14Å; W610-L613 PolarHBondContact O-N 3.37Å
614T76.9Confident77.9Confident5 Ų572.3 Ų72.33%0.03138%0.38CS..THydrogen-bonded Turntrans-114.910.317854.30000112.8C510 A518 W610 T611 I612 Q616C510-T614 PolarHBondContact SG-O 3.13Å; A518-T614 HydrophobicContact CB-CG2 4.04Å; W610-T614 HydrophobicContact CD2-CG2 4.21Å; W610-T614 HydrophobicContact CH2-CG2 4.35Å; W610-T614 HydrophobicContact CZ2-CG2 3.71Å; W610-T614 PolarHBondContact O-N 2.67Å; W610-T614 VanDerWaalsContact O-N 3.09Å; W610-T614 PolarHBondContact O-OG1 3.42Å; T611-T614 CarbonylContact O-C 3.54Å; T611-T614 PolarHBondContact O-N 2.55Å; T611-T614 PolarHBondContact O-OG1 3.27Å; I612-T614 PolarHBondContact O-N 2.61Å; T614-Q616 PolarHBondContact O-N 2.61Å
615G63.9Low76.8Confident47 Ų4776.8 Ų76.849%0.48540%0.404SS..THydrogen-bonded Turntrans60.813.2179.300000115T611 I612T611-G615 PolarHBondContact O-N 3.01Å; T611-G615 VanDerWaalsContact O-N 3.08Å; I612-G615 PolarHBondContact O-N 2.95Å
616Q57.6Low76.1Confident95 Ų9577 Ų7744%0.44441%0.409SS..  trans-80.2121.1-178.5-66.3-172.2-9.600109.8T611 T614T611-Q616 PolarHBondContact O-N 3.43Å; T614-Q616 PolarHBondContact O-N 2.61Å
617K45.6Very low75.4Confident284 Ų28473.2 Ų73.2100%1.23538%0.38SS*.  trans-101.20171-81.2-168.6170.5-170.10110.6

Retrieved 617 of 617 residues in 945.4 ms (Link to these results)

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