A0A3Q0KL44_SCHMA Loading...

Putative rna binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KL44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 900 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
1M43Very low78.7Confident231 Ų23171.5 Ų71.5100%1.13836%0.364SS*.  0105.50-68.2-52.7-163.900106.6
2D61.4Low78.8Confident107 Ų10768.3 Ų68.357%0.57236%0.362SS*.  trans-69135.6178.6-57.3-63.2000109.7Y81D2-Y81 HydrophobicContact CB-CD2 4.1Å
3I70.6Confident79.2Confident127 Ų12763.1 Ų63.165%0.65134%0.335SS*.  trans-71.1125.2-178.3-60.3176000107.3T5I3-T5 PolarHBondContact O-N 3.25Å
4P75.6Confident79.3Confident50 Ų5061.6 Ų61.633%0.32533%0.329SS..  trans-72.8101.5-172.527-33.7000111K60 Y81P4-K60 HydrophobicContact CB-CD 4.15Å; P4-K60 VanDerWaalsContact CB-CE 3.49Å; P4-K60 HydrophobicContact CB-CG 3.67Å; P4-K60 HydrophobicContact CG-CD 4.38Å; P4-K60 HydrophobicContact CG-CG 4.41Å; P4-Y81 HydrophobicContact CB-CD1 4.36Å; P4-Y81 HydrophobicContact CB-CE1 3.84Å; P4-Y81 HydrophobicContact CB-CE2 4.32Å
5T83.6Confident79.2Confident19 Ų1964.9 Ų64.912%0.11736%0.359CS..  trans-92156.4179.452.60000111.6I3 T7 A59 S82I3-T5 PolarHBondContact O-N 3.25Å; T5-T7 PolarHBondContact O-N 3.02Å; T5-T7 PolarHBondContact OG1-O 2.96Å; T5-A59 WeakPolarHBondContact O-CB 3.46Å; T5-S82 PolarHBondContact OG1-N 3.39Å; T5-S82 PolarHBondContact OG1-O 3.02Å
6P87.3Confident79.3Confident58 Ų5865 Ų6538%0.37737%0.366SS..SBendtrans-69.6-13174.729.9-36000113.1F53 A56P6-F53 WeakPolarHBondContact O-CB 3.33Å; P6-F53 PolarHBondContact O-N 3.49Å; P6-A56 HydrophobicContact CB-CB 4.4Å
7T89.2Confident79.5Confident24 Ų2461.4 Ų61.415%0.14735%0.346CS..EExtended strand (participates in β ladder)trans-106.2124.7179.9-54.10000110.8T5 F50 V51 D52 S82T5-T7 PolarHBondContact O-N 3.02Å; T5-T7 PolarHBondContact OG1-O 2.96Å; T7-F50 HydrophobicContact CG2-CB 4.22Å; T7-F50 HydrophobicContact CG2-CD1 4.18Å; T7-V51 CarbonylContact C-O 3.47Å; T7-V51 WeakPolarHBondContact CA-O 3.44Å; T7-D52 WeakPolarHBondContact CB-OD1 3.38Å; T7-D52 WeakPolarHBondContact CG2-OD1 3.34Å; T7-D52 PolarHBondContact OG1-OD1 3.28Å; T7-S82 VanDerWaalsContact CB-OG 3.29Å; T7-S82 WeakPolarHBondContact CB-OG 3.45Å; T7-S82 VanDerWaalsContact CG2-OG 3.32Å; T7-S82 WeakPolarHBondContact CG2-OG 3.28Å; T7-S82 PolarHBondContact O-N 3.44Å; T7-S82 PolarHBondContact O-OG 3.39Å
8I90.3Very high80Confident1 Ų161.7 Ų61.71%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-103.9136.4176.8-59-178.9000110F50 V51 F53 A59 F62 M63 L79I8-F50 CarbonylContact O-C 3.55Å; I8-F50 WeakPolarHBondContact O-CA 3.44Å; I8-V51 PolarHBondContact N-O 3.42Å; I8-V51 PolarHBondContact O-N 3.5Å; I8-F53 HydrophobicContact CB-CE2 4.14Å; I8-F53 HydrophobicContact CD1-CD2 4.04Å; I8-F53 HydrophobicContact CD1-CE2 3.47Å; I8-F53 VanDerWaalsContact CD1-CE2 3.47Å; I8-F53 HydrophobicContact CD1-CZ 3.91Å; I8-F53 HydrophobicContact CG1-CD2 4.1Å; I8-F53 HydrophobicContact CG1-CE2 3.82Å; I8-A59 HydrophobicContact CD1-CB 4.05Å; I8-A59 HydrophobicContact CG1-CB 4.18Å; I8-F62 HydrophobicContact CD1-CD1 3.72Å; I8-F62 HydrophobicContact CD1-CE1 4.39Å; I8-M63 HydrophobicContact CD1-CG 3.63Å; I8-M63 HydrophobicContact CD1-SD 3.95Å; I8-M63 HydrophobicContact CG1-CG 4.45Å; I8-M63 HydrophobicContact CG2-SD 4.15Å; I8-L79 HydrophobicContact CG2-CB 3.94Å; I8-L79 HydrophobicContact CG2-CD2 3.91Å; I8-L79 HydrophobicContact CG2-CG 4.5Å
9M89.5Confident80.4Confident27 Ų2762.8 Ų62.813%0.13335%0.351CS..EExtended strand (participates in β ladder)trans-99.2117.1177-171.1-171-63.100111.1R11 I48 G49 F50 N80M9-R11 HydrophobicContact CG-CG 4.16Å; M9-R11 HydrophobicContact SD-CG 4Å; M9-R11 PolarHBondContact SD-NE 3.25Å; M9-R11 PolarHBondContact SD-NH2 3.15Å; M9-I48 HydrophobicContact CG-CG2 3.65Å; M9-I48 HydrophobicContact SD-CG2 4.12Å; M9-G49 CarbonylContact C-O 3.6Å; M9-G49 WeakPolarHBondContact CA-O 3.38Å; M9-F50 HydrophobicContact CE-CE1 3.72Å; M9-F50 HydrophobicContact CE-CZ 4.06Å; M9-F50 HydrophobicContact CG-CE1 4.17Å; M9-F50 HydrophobicContact CG-CZ 4.4Å; M9-N80 PolarHBondContact N-O 3.45Å; M9-N80 PolarHBondContact O-N 3.2Å; M9-N80 VanDerWaalsContact O-N 3.09Å
10L89.8Confident80.7Confident3 Ų369.2 Ų69.22%0.01637%0.369CS..EExtended strand (participates in β ladder)trans-83.7112.8171.6-69.5155000109.7L13 V22 G49 V51 I70 I72 I77 L79L10-L13 HydrophobicContact CB-CD1 4.11Å; L10-L13 HydrophobicContact CB-CG 4.4Å; L10-V22 HydrophobicContact CD1-CG1 3.53Å; L10-G49 PolarHBondContact N-O 2.92Å; L10-G49 PolarHBondContact O-N 3.35Å; L10-V51 HydrophobicContact CD1-CG2 3.59Å; L10-V51 HydrophobicContact CG-CG2 4.33Å; L10-I70 HydrophobicContact CD2-CG2 3.78Å; L10-I72 HydrophobicContact CD2-CD1 4.29Å; L10-I77 HydrophobicContact CB-CG2 3.93Å; L10-I77 HydrophobicContact CD2-CG2 3.62Å; L10-I77 HydrophobicContact CG-CG2 4.43Å; L10-L79 HydrophobicContact CD2-CD2 3.49Å; L10-L79 VanDerWaalsContact CD2-CD2 3.49Å; L10-L79 HydrophobicContact CG-CD2 4.27Å
11R85.7Confident81.1Confident139 Ų13967 Ų6753%0.52536%0.358SS..EExtended strand (participates in β ladder)trans-108.8130.3176.7-68.9-169.9176.9-157.12.7112.5M9 R78M9-R11 HydrophobicContact CG-CG 4.16Å; M9-R11 HydrophobicContact SD-CG 4Å; M9-R11 PolarHBondContact SD-NE 3.25Å; M9-R11 PolarHBondContact SD-NH2 3.15Å; R11-R78 PolarHBondContact N-O 3.23Å; R11-R78 PolarHBondContact O-N 3.49Å
12G79.7Confident83.3Confident33 Ų3356 Ų5634%0.3430%0.304SS..EExtended strand (participates in β ladder)trans112.16174.500000115.6T14G12-T14 PolarHBondContact O-N 3.17Å
13L84.2Confident84.7Confident1 Ų154.2 Ų54.21%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-57130.4-179.5-64.5165.8000111.9L10 T17 V22 L38 W47 G49 I72 I77L10-L13 HydrophobicContact CB-CD1 4.11Å; L10-L13 HydrophobicContact CB-CG 4.4Å; L13-T17 HydrophobicContact CD2-CG2 3.87Å; L13-V22 HydrophobicContact CD2-CG2 4.12Å; L13-L38 HydrophobicContact CD1-CD2 3.67Å; L13-W47 HydrophobicContact CB-CB 3.72Å; L13-W47 HydrophobicContact CD1-CB 4.32Å; L13-W47 PolarHBondContact O-N 2.91Å; L13-G49 VanDerWaalsContact CD1-N 3.35Å; L13-I72 HydrophobicContact CD2-CD1 4.25Å; L13-I77 HydrophobicContact CD2-CD1 3.61Å; L13-I77 HydrophobicContact CD2-CG1 4.28Å; L13-I77 HydrophobicContact CD2-CG2 4.49Å
14T80.8Confident85.6Confident42 Ų4256.4 Ų56.426%0.25829%0.289SS..  trans-68.7159.9-179.680.30000111.6G12 S16 T17 W47 T75G12-T14 PolarHBondContact O-N 3.17Å; T14-S16 PolarHBondContact O-N 3.24Å; T14-S16 VanDerWaalsContact O-N 3.09Å; T14-S16 PolarHBondContact OG1-N 3.31Å; T14-S16 PolarHBondContact OG1-OG 3.35Å; T14-T17 PolarHBondContact N-OG1 3.46Å; T14-T17 PolarHBondContact O-N 3.41Å; T14-T17 VanDerWaalsContact O-N 3.15Å; T14-T17 PolarHBondContact OG1-N 2.95Å; T14-T17 PolarHBondContact OG1-OG1 3.32Å; T14-W47 VanDerWaalsContact O-CD1 3.26Å; T14-T75 HydrophobicContact CG2-CG2 3.98Å; T14-T75 WeakPolarHBondContact CG2-OG1 3.44Å
15S77.2Confident86.2Confident112 Ų11255 Ų5578%0.78328%0.28SS*.THydrogen-bonded Turntrans-58.5-19.2172.248.90000114.2
16S81.1Confident86.4Confident66 Ų6654.3 Ų54.346%0.46228%0.275SS..THydrogen-bonded Turntrans-89.7-16.2179.681.60000114.5T14 T18 R73T14-S16 PolarHBondContact O-N 3.24Å; T14-S16 VanDerWaalsContact O-N 3.09Å; T14-S16 PolarHBondContact OG1-N 3.31Å; T14-S16 PolarHBondContact OG1-OG 3.35Å; S16-T18 PolarHBondContact O-N 3.49Å; S16-R73 PolarHBondContact O-NH1 3.35Å; S16-R73 PolarHBondContact OG-NH1 2.9Å
17T83.1Confident86.5Confident4 Ų455.6 Ų55.63%0.02528%0.279CS..  trans-78.7122-170.9-50.70000110.1L13 T14 D21 V22 I72L13-T17 HydrophobicContact CD2-CG2 3.87Å; T14-T17 PolarHBondContact N-OG1 3.46Å; T14-T17 PolarHBondContact O-N 3.41Å; T14-T17 VanDerWaalsContact O-N 3.15Å; T14-T17 PolarHBondContact OG1-N 2.95Å; T14-T17 PolarHBondContact OG1-OG1 3.32Å; T17-D21 HydrophobicContact CG2-CB 4.15Å; T17-V22 HydrophobicContact CG2-CG2 4.1Å; T17-I72 HydrophobicContact CG2-CG2 3.92Å
18T87.2Confident86.4Confident67 Ų6757.8 Ų57.841%0.41130%0.295SS..  trans-99.7162.8178.975.20000111.4S16 R20 D21 V22S16-T18 PolarHBondContact O-N 3.49Å; T18-R20 PolarHBondContact O-N 3.32Å; T18-R20 PolarHBondContact OG1-N 3.27Å; T18-D21 WeakPolarHBondContact CA-OD2 3.44Å; T18-D21 VanDerWaalsContact CB-OD2 3.32Å; T18-D21 WeakPolarHBondContact CB-OD2 3.35Å; T18-D21 PolarHBondContact N-OD2 3.45Å; T18-D21 WeakPolarHBondContact O-CB 3.49Å; T18-D21 PolarHBondContact O-N 3.47Å; T18-D21 PolarHBondContact OG1-N 3.44Å; T18-D21 PolarHBondContact OG1-OD2 3.12Å; T18-V22 PolarHBondContact O-N 3.49Å
19E87.8Confident86Confident82 Ų8262.4 Ų62.438%0.38332%0.317SS..Hα-helixtrans-57.1-32.2175.8-165.3-162.1127.200111.9D21 V22 R23 V36 L38E19-D21 VanDerWaalsContact C-N 3.34Å; E19-D21 PolarHBondContact O-N 3.22Å; E19-V22 PolarHBondContact O-N 3.12Å; E19-R23 WeakPolarHBondContact O-CG 3.4Å; E19-R23 PolarHBondContact O-N 3.4Å; E19-R23 IonicContact OE1-CZ 2.9Å; E19-R23 IonicContact OE1-NE 2.69Å; E19-R23 PolarHBondContact OE1-NE 3.05Å; E19-R23 IonicContact OE1-NH2 3.26Å; E19-R23 PolarHBondContact OE1-NH2 2.99Å; E19-V36 HydrophobicContact CG-CB 4.3Å; E19-V36 HydrophobicContact CG-CG1 3.99Å; E19-L38 HydrophobicContact CB-CD1 4.08Å; E19-L38 HydrophobicContact CB-CG 4.23Å; E19-L38 HydrophobicContact CG-CG 4.48Å; E19-L38 VanDerWaalsContact N-CD1 3.3Å
20R88Confident85.7Confident190 Ų19069 Ų6972%0.71735%0.347SS*.Hα-helixtrans-69.2-29.6177.3-163.3179.2-153.8137.28.3113.3T18 R24T18-R20 PolarHBondContact O-N 3.32Å; T18-R20 PolarHBondContact OG1-N 3.27Å; R20-R24 WeakPolarHBondContact O-CB 3.46Å; R20-R24 WeakPolarHBondContact O-CG 3.38Å; R20-R24 PolarHBondContact O-N 3.14Å
21D88.2Confident85.4Confident25 Ų2569.6 Ų69.613%0.13435%0.352CS..Hα-helixtrans-71-43.1172.8-55.9-75.7000110.1T17 T18 E19 R24 T25 I72 R73T17-D21 HydrophobicContact CG2-CB 4.15Å; T18-D21 WeakPolarHBondContact CA-OD2 3.44Å; T18-D21 VanDerWaalsContact CB-OD2 3.32Å; T18-D21 WeakPolarHBondContact CB-OD2 3.35Å; T18-D21 PolarHBondContact N-OD2 3.45Å; T18-D21 WeakPolarHBondContact O-CB 3.49Å; T18-D21 PolarHBondContact O-N 3.47Å; T18-D21 PolarHBondContact OG1-N 3.44Å; T18-D21 PolarHBondContact OG1-OD2 3.12Å; E19-D21 VanDerWaalsContact C-N 3.34Å; E19-D21 PolarHBondContact O-N 3.22Å; D21-R24 PolarHBondContact O-N 3.47Å; D21-T25 PolarHBondContact O-N 2.95Å; D21-T25 PolarHBondContact O-OG1 3.11Å; D21-I72 HydrophobicContact CB-CG2 4.13Å; D21-R73 VanDerWaalsContact CG-CZ 3.44Å; D21-R73 IonicContact OD1-CZ 3.43Å; D21-R73 IonicContact OD1-NE 2.85Å; D21-R73 PolarHBondContact OD1-NE 3.1Å; D21-R73 IonicContact OD1-NH2 3.29Å; D21-R73 PolarHBondContact OD1-NH2 3.21Å; D21-R73 IonicContact OD2-CZ 2.71Å; D21-R73 VanDerWaalsContact OD2-CZ 3.25Å; D21-R73 IonicContact OD2-NE 2.68Å; D21-R73 PolarHBondContact OD2-NE 3.28Å; D21-R73 IonicContact OD2-NH2 2.62Å; D21-R73 PolarHBondContact OD2-NH2 3.31Å
22V89.2Confident85.5Confident0 Ų068 Ų680%035%0.354CS..Hα-helixtrans-64.4-47.4178.5-179.10000111.8L10 L13 T17 T18 E19 R24 T25 L26 V36 L38 I72L10-V22 HydrophobicContact CD1-CG1 3.53Å; L13-V22 HydrophobicContact CD2-CG2 4.12Å; T17-V22 HydrophobicContact CG2-CG2 4.1Å; T18-V22 PolarHBondContact O-N 3.49Å; E19-V22 PolarHBondContact O-N 3.12Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 3.39Å; V22-T25 PolarHBondContact O-N 3.09Å; V22-L26 HydrophobicContact CG1-CD1 4.07Å; V22-L26 WeakPolarHBondContact O-CG 3.49Å; V22-L26 PolarHBondContact O-N 2.94Å; V22-V36 HydrophobicContact CB-CG1 4.18Å; V22-V36 HydrophobicContact CG1-CG1 3.75Å; V22-L38 HydrophobicContact CG2-CD2 4.31Å; V22-I72 HydrophobicContact CB-CD1 4.37Å; V22-I72 HydrophobicContact CG1-CD1 4.25Å; V22-I72 HydrophobicContact CG2-CD1 3.99Å
23R91Very high85.9Confident68 Ų6868.8 Ų68.826%0.25735%0.347SS..Hα-helixtrans-55.7-47.7174.7-73.1-175.5-170-95-3.6111E19 T25 L26 D27 Y33 D35 V36E19-R23 WeakPolarHBondContact O-CG 3.4Å; E19-R23 PolarHBondContact O-N 3.4Å; E19-R23 IonicContact OE1-CZ 2.9Å; E19-R23 IonicContact OE1-NE 2.69Å; E19-R23 PolarHBondContact OE1-NE 3.05Å; E19-R23 IonicContact OE1-NH2 3.26Å; E19-R23 PolarHBondContact OE1-NH2 2.99Å; R23-T25 VanDerWaalsContact C-N 3.31Å; R23-T25 PolarHBondContact O-N 3.36Å; R23-L26 WeakPolarHBondContact O-CB 3.45Å; R23-L26 PolarHBondContact O-N 3.4Å; R23-D27 PolarHBondContact O-N 3.11Å; R23-Y33 WeakPolarHBondContact CB-OH 3.32Å; R23-Y33 HydrophobicContact CG-CE2 4.19Å; R23-D35 IonicContact NH2-OD1 2.81Å; R23-D35 PolarHBondContact NH2-OD1 3.18Å; R23-V36 HydrophobicContact CG-CB 4.15Å; R23-V36 HydrophobicContact CG-CG1 4.5Å; R23-V36 HydrophobicContact CG-CG2 3.89Å
24R88.6Confident86.2Confident173 Ų17372.9 Ų72.965%0.65337%0.372SS*.Hα-helixtrans-56.3-38.3177.3-83.4178.4165.6-166.5-5.6114.5R20 D21 V22 S28R20-R24 WeakPolarHBondContact O-CB 3.46Å; R20-R24 WeakPolarHBondContact O-CG 3.38Å; R20-R24 PolarHBondContact O-N 3.14Å; D21-R24 PolarHBondContact O-N 3.47Å; V22-R24 VanDerWaalsContact C-N 3.33Å; V22-R24 PolarHBondContact O-N 3.39Å; R24-S28 PolarHBondContact O-N 3.01Å; R24-S28 VanDerWaalsContact O-N 3.13Å; R24-S28 PolarHBondContact O-OG 3.45Å
25T88.1Confident86.6Confident22 Ų2273.7 Ų73.714%0.13538%0.375CS..Hα-helixtrans-74.6-35.5177.1-40.40000111.7D21 V22 R23 D27 S28 E29 I70 E71 I72D21-T25 PolarHBondContact O-N 2.95Å; D21-T25 PolarHBondContact O-OG1 3.11Å; V22-T25 PolarHBondContact O-N 3.09Å; R23-T25 VanDerWaalsContact C-N 3.31Å; R23-T25 PolarHBondContact O-N 3.36Å; T25-D27 VanDerWaalsContact C-N 3.34Å; T25-S28 WeakPolarHBondContact CA-OG 3.36Å; T25-S28 PolarHBondContact O-N 3.45Å; T25-S28 PolarHBondContact O-OG 2.8Å; T25-E29 WeakPolarHBondContact O-CG 3.33Å; T25-E29 PolarHBondContact O-N 3.09Å; T25-I70 HydrophobicContact CG2-CD1 3.67Å; T25-I70 HydrophobicContact CG2-CG1 3.83Å; T25-E71 WeakPolarHBondContact CG2-O 3.21Å; T25-I72 HydrophobicContact CG2-CG1 4.23Å
26L88.9Confident87.2Confident3 Ų368.4 Ų68.42%0.01634%0.338CS..Hα-helixtrans-64.5-39.7172.2-66.1167.1000111.8V22 R23 S28 E29 H30 A31 Y33 V36 V51 F62V22-L26 HydrophobicContact CG1-CD1 4.07Å; V22-L26 WeakPolarHBondContact O-CG 3.49Å; V22-L26 PolarHBondContact O-N 2.94Å; R23-L26 WeakPolarHBondContact O-CB 3.45Å; R23-L26 PolarHBondContact O-N 3.4Å; L26-S28 VanDerWaalsContact C-N 3.35Å; L26-E29 PolarHBondContact O-N 3.16Å; L26-H30 PolarHBondContact O-N 2.62Å; L26-A31 HydrophobicContact CB-CB 4.15Å; L26-A31 HydrophobicContact CD2-CB 4.07Å; L26-A31 WeakPolarHBondContact O-CB 3.46Å; L26-A31 PolarHBondContact O-N 3.01Å; L26-Y33 HydrophobicContact CB-CD1 3.67Å; L26-Y33 HydrophobicContact CB-CE1 3.45Å; L26-Y33 VanDerWaalsContact CB-CE1 3.45Å; L26-Y33 HydrophobicContact CD1-CD1 4Å; L26-Y33 HydrophobicContact CD1-CD2 4.33Å; L26-Y33 HydrophobicContact CD1-CE1 4.11Å; L26-Y33 HydrophobicContact CD1-CE2 4.4Å; L26-Y33 HydrophobicContact CD1-CG 4.13Å; L26-Y33 HydrophobicContact CG-CD1 4.36Å; L26-Y33 HydrophobicContact CG-CE1 4.41Å; L26-V36 HydrophobicContact CD1-CG2 3.57Å; L26-V51 HydrophobicContact CD1-CB 4.47Å; L26-V51 HydrophobicContact CD1-CG1 3.71Å; L26-V51 HydrophobicContact CD1-CG2 3.87Å; L26-V51 HydrophobicContact CD2-CG1 4.14Å; L26-V51 HydrophobicContact CD2-CG2 4.44Å; L26-F62 HydrophobicContact CD2-CE1 4.22Å; L26-F62 HydrophobicContact CD2-CE2 3.95Å; L26-F62 HydrophobicContact CD2-CZ 3.51Å
27D88.4Confident87.6Confident85 Ų8571.1 Ų71.146%0.45534%0.339SS..Hα-helixtrans-64.8-37.6177.3-54.8-25.9000111.4R23 T25 H30 Y33R23-D27 PolarHBondContact O-N 3.11Å; T25-D27 VanDerWaalsContact C-N 3.34Å; D27-H30 PolarHBondContact O-N 2.91Å; D27-H30 PolarHBondContact O-ND1 3.37Å; D27-Y33 WeakPolarHBondContact OD1-CE1 3.46Å; D27-Y33 PolarHBondContact OD1-OH 2.68Å
28S86.7Confident87.9Confident70 Ų7072.7 Ų72.749%0.4935%0.346SS..Hα-helixtrans-74.8-33.3177.960.90000113.9R24 T25 L26 H30R24-S28 PolarHBondContact O-N 3.01Å; R24-S28 VanDerWaalsContact O-N 3.13Å; R24-S28 PolarHBondContact O-OG 3.45Å; T25-S28 WeakPolarHBondContact CA-OG 3.36Å; T25-S28 PolarHBondContact O-N 3.45Å; T25-S28 PolarHBondContact O-OG 2.8Å; L26-S28 VanDerWaalsContact C-N 3.35Å; S28-H30 PolarHBondContact O-N 3.48Å
29E83.6Confident87.9Confident99 Ų9973.1 Ų73.146%0.46335%0.349SS..THydrogen-bonded Turntrans-82.511.3172-59.4-57.4133.800112.6T25 L26 A31 F62 I70T25-E29 WeakPolarHBondContact O-CG 3.33Å; T25-E29 PolarHBondContact O-N 3.09Å; L26-E29 PolarHBondContact O-N 3.16Å; E29-A31 VanDerWaalsContact C-N 3.26Å; E29-A31 PolarHBondContact O-N 2.8Å; E29-F62 HydrophobicContact CB-CE2 3.96Å; E29-I70 HydrophobicContact CG-CD1 4.16Å
30H83.1Confident87.7Confident166 Ų16677 Ų7777%0.76936%0.36SS*.THydrogen-bonded Turntrans53.335.3178.2-58.3-26.7000114.8L26 D27 S28L26-H30 PolarHBondContact O-N 2.62Å; D27-H30 PolarHBondContact O-N 2.91Å; D27-H30 PolarHBondContact O-ND1 3.37Å; S28-H30 PolarHBondContact O-N 3.48Å
31A83.3Confident87.3Confident15 Ų1570 Ų7012%0.12434%0.337CS..  trans-74.8129.1-175.500000113.2L26 E29 Y33 F53 F62L26-A31 HydrophobicContact CB-CB 4.15Å; L26-A31 HydrophobicContact CD2-CB 4.07Å; L26-A31 WeakPolarHBondContact O-CB 3.46Å; L26-A31 PolarHBondContact O-N 3.01Å; E29-A31 VanDerWaalsContact C-N 3.26Å; E29-A31 PolarHBondContact O-N 2.8Å; A31-Y33 HydrophobicContact CB-CD1 4.23Å; A31-Y33 VanDerWaalsContact O-CD1 3.27Å; A31-Y33 WeakPolarHBondContact O-CD1 3.4Å; A31-Y33 PolarHBondContact O-N 2.72Å; A31-F53 HydrophobicContact CB-CE1 4.02Å; A31-F53 HydrophobicContact CB-CZ 4.41Å; A31-F62 HydrophobicContact CB-CD2 3.66Å; A31-F62 HydrophobicContact CB-CE2 3.68Å
32N87.2Confident86.7Confident106 Ų10678.8 Ų78.857%0.56737%0.374SS*.  trans-81.679172.5-80.9-24.7000111.9F53 V54 D58N32-F53 WeakPolarHBondContact O-CD1 3.45Å; N32-V54 HydrophobicContact CB-CG2 4.42Å; N32-V54 PolarHBondContact O-N 2.85Å; N32-D58 HydrophobicContact CB-CB 4.46Å
33Y89.1Confident86Confident48 Ų4888.1 Ų88.119%0.18842%0.415CS..EExtended strand (participates in β ladder)trans-104.7158.3177.371.8-85.7000113.6R23 L26 D27 A31 V36 V51R23-Y33 WeakPolarHBondContact CB-OH 3.32Å; R23-Y33 HydrophobicContact CG-CE2 4.19Å; L26-Y33 HydrophobicContact CB-CD1 3.67Å; L26-Y33 HydrophobicContact CB-CE1 3.45Å; L26-Y33 VanDerWaalsContact CB-CE1 3.45Å; L26-Y33 HydrophobicContact CD1-CD1 4Å; L26-Y33 HydrophobicContact CD1-CD2 4.33Å; L26-Y33 HydrophobicContact CD1-CE1 4.11Å; L26-Y33 HydrophobicContact CD1-CE2 4.4Å; L26-Y33 HydrophobicContact CD1-CG 4.13Å; L26-Y33 HydrophobicContact CG-CD1 4.36Å; L26-Y33 HydrophobicContact CG-CE1 4.41Å; D27-Y33 WeakPolarHBondContact OD1-CE1 3.46Å; D27-Y33 PolarHBondContact OD1-OH 2.68Å; A31-Y33 HydrophobicContact CB-CD1 4.23Å; A31-Y33 VanDerWaalsContact O-CD1 3.27Å; A31-Y33 WeakPolarHBondContact O-CD1 3.4Å; A31-Y33 PolarHBondContact O-N 2.72Å; Y33-V36 HydrophobicContact CD2-CG2 3.54Å; Y33-V36 HydrophobicContact CE2-CG2 3.52Å; Y33-V36 HydrophobicContact CG-CG2 4.43Å; Y33-V51 HydrophobicContact CG-CG1 4.25Å
34T89.6Confident85.4Confident87 Ų8789.2 Ų89.253%0.53443%0.429SS..EExtended strand (participates in β ladder)trans-111-40.5-178.362.20000112.3D52 V54T34-D52 PolarHBondContact N-O 2.74Å; T34-D52 PolarHBondContact OG1-O 3.21Å; T34-V54 HydrophobicContact CG2-CB 4.34Å; T34-V54 HydrophobicContact CG2-CG2 3.6Å
35D89Confident84.7Confident59 Ų5982.3 Ų82.332%0.31641%0.411SS..EExtended strand (participates in β ladder)trans-147.4158.1175.5-165.222.3000112.4R23 R37 V51 D52R23-D35 IonicContact NH2-OD1 2.81Å; R23-D35 PolarHBondContact NH2-OD1 3.18Å; D35-R37 WeakPolarHBondContact OD2-CD 3.49Å; D35-R37 WeakPolarHBondContact OD2-CG 3.29Å; D35-R37 IonicContact OD2-NE 3.49Å; D35-V51 WeakPolarHBondContact O-CA 3.34Å; D35-D52 PolarHBondContact O-N 3.14Å
36V90.9Very high84.3Confident2 Ų288.9 Ų88.91%0.01243%0.434CS..EExtended strand (participates in β ladder)trans-136113.7179.2-179.20000108.7E19 V22 R23 L26 Y33 F50 V51E19-V36 HydrophobicContact CG-CB 4.3Å; E19-V36 HydrophobicContact CG-CG1 3.99Å; V22-V36 HydrophobicContact CB-CG1 4.18Å; V22-V36 HydrophobicContact CG1-CG1 3.75Å; R23-V36 HydrophobicContact CG-CB 4.15Å; R23-V36 HydrophobicContact CG-CG1 4.5Å; R23-V36 HydrophobicContact CG-CG2 3.89Å; L26-V36 HydrophobicContact CD1-CG2 3.57Å; Y33-V36 HydrophobicContact CD2-CG2 3.54Å; Y33-V36 HydrophobicContact CE2-CG2 3.52Å; Y33-V36 HydrophobicContact CG-CG2 4.43Å; V36-F50 CarbonylContact C-O 3.51Å; V36-F50 WeakPolarHBondContact CA-O 3.46Å; V36-V51 HydrophobicContact CG2-CG1 4.38Å; V36-V51 HydrophobicContact CG2-CG2 4.48Å
37R88.9Confident84.1Confident123 Ų12392.5 Ų92.546%0.46445%0.447SS..EExtended strand (participates in β ladder)trans-120.8114.4-171.4-62.8-179.4-78.3148.4-2.7110.7D35 F50 D52D35-R37 WeakPolarHBondContact OD2-CD 3.49Å; D35-R37 WeakPolarHBondContact OD2-CG 3.29Å; D35-R37 IonicContact OD2-NE 3.49Å; R37-F50 HydrophobicContact CB-CB 4.45Å; R37-F50 PolarHBondContact N-O 2.78Å; R37-F50 PolarHBondContact O-N 3.04Å; R37-D52 IonicContact CZ-OD2 3.17Å; R37-D52 IonicContact NE-OD2 2.61Å; R37-D52 PolarHBondContact NE-OD2 2.88Å; R37-D52 IonicContact NH2-OD1 3.25Å; R37-D52 PolarHBondContact NH2-OD1 3.41Å; R37-D52 IonicContact NH2-OD2 2.78Å; R37-D52 PolarHBondContact NH2-OD2 3.05Å
38L89.8Confident84.1Confident36 Ų3690.5 Ų90.519%0.18844%0.436CS..EExtended strand (participates in β ladder)trans-93.6126.1175.9-65.9-166.3000112L13 E19 V22 W47L13-L38 HydrophobicContact CD1-CD2 3.67Å; E19-L38 HydrophobicContact CB-CD1 4.08Å; E19-L38 HydrophobicContact CB-CG 4.23Å; E19-L38 HydrophobicContact CG-CG 4.48Å; E19-L38 VanDerWaalsContact N-CD1 3.3Å; V22-L38 HydrophobicContact CG2-CD2 4.31Å; L38-W47 HydrophobicContact CB-CE3 3.89Å; L38-W47 HydrophobicContact CB-CZ3 4.04Å
39V87.4Confident84.2Confident77 Ų7787.2 Ų87.247%0.46741%0.413SS..EExtended strand (participates in β ladder)trans-123.9129.4179.6-176.10000109.3I48 F50V39-I48 PolarHBondContact N-O 2.72Å; V39-I48 PolarHBondContact O-N 3.19Å; V39-F50 HydrophobicContact CB-CE2 4.37Å; V39-F50 HydrophobicContact CG2-CD2 4.18Å; V39-F50 HydrophobicContact CG2-CE2 4.1Å
40R83.5Confident84.6Confident163 Ų16384.9 Ų84.962%0.61540%0.402SS*.EExtended strand (participates in β ladder)trans-84.8124.2174.1-168.1177.8-176.8-163.3-1.4110.2K42 G45 W47R40-K42 PolarHBondContact O-N 3.47Å; R40-G45 PolarHBondContact NE-O 3.42Å; R40-W47 HydrophobicContact CB-CD2 4.32Å; R40-W47 HydrophobicContact CB-CE3 4.04Å; R40-W47 HydrophobicContact CB-CZ3 4.21Å
41D78.6Confident85Confident43 Ų4377.1 Ų77.123%0.2337%0.366CS..  trans-70.4128.8174.3171.630000110.6K43 T44 G45 R46 I48D41-K43 VanDerWaalsContact C-N 3.3Å; D41-K43 PolarHBondContact O-N 3.23Å; D41-K43 PolarHBondContact OD1-N 3.33Å; D41-T44 VanDerWaalsContact OD2-CB 3.3Å; D41-T44 WeakPolarHBondContact OD2-CB 3.26Å; D41-T44 WeakPolarHBondContact OD2-CG2 3.42Å; D41-T44 PolarHBondContact OD2-N 2.88Å; D41-T44 PolarHBondContact OD2-OG1 3.13Å; D41-G45 VanDerWaalsContact O-CA 3.23Å; D41-G45 WeakPolarHBondContact O-CA 3.19Å; D41-G45 PolarHBondContact O-N 2.98Å; D41-R46 PolarHBondContact N-O 3.06Å; D41-I48 HydrophobicContact CB-CD1 4.11Å
42K75.9Confident85.4Confident210 Ų21077.5 Ų77.591%0.91337%0.365SS*.THydrogen-bonded Turntrans-69-24.6177.5-64.4-174.4179.6-176.90113.2R40R40-K42 PolarHBondContact O-N 3.47Å
43K75Confident85.6Confident196 Ų19672.9 Ų72.985%0.85234%0.34SS*.THydrogen-bonded Turntrans-86.5-49.6-177.1-68.5-172.7176.1-174.20112.8D41D41-K43 VanDerWaalsContact C-N 3.3Å; D41-K43 PolarHBondContact O-N 3.23Å; D41-K43 PolarHBondContact OD1-N 3.33Å
44T77.2Confident85.6Confident90 Ų9075.4 Ų75.455%0.55236%0.361SS*.THydrogen-bonded Turntrans-96.2-11.5-177.463.80000114D41 R46D41-T44 VanDerWaalsContact OD2-CB 3.3Å; D41-T44 WeakPolarHBondContact OD2-CB 3.26Å; D41-T44 WeakPolarHBondContact OD2-CG2 3.42Å; D41-T44 PolarHBondContact OD2-N 2.88Å; D41-T44 PolarHBondContact OD2-OG1 3.13Å; T44-R46 PolarHBondContact O-N 3.27Å
45G74.6Confident85.5Confident28 Ų2873.5 Ų73.529%0.28935%0.351SS..  trans70.6-7-177.100000115.3R40 D41R40-G45 PolarHBondContact NE-O 3.42Å; D41-G45 VanDerWaalsContact O-CA 3.23Å; D41-G45 WeakPolarHBondContact O-CA 3.19Å; D41-G45 PolarHBondContact O-N 2.98Å
46R78.9Confident85.4Confident161 Ų16172 Ų7261%0.60835%0.347SS*.  trans-75.1165.2178-62.2-177.3179.3-170.4-1.6111.4D41 T44D41-R46 PolarHBondContact N-O 3.06Å; T44-R46 PolarHBondContact O-N 3.27Å
47W84.9Confident85.3Confident78 Ų7876.4 Ų76.430%0.29537%0.371SS..EExtended strand (participates in β ladder)trans-91146.7172.6-65.795.9000111.2L13 T14 L38 R40L13-W47 HydrophobicContact CB-CB 3.72Å; L13-W47 HydrophobicContact CD1-CB 4.32Å; L13-W47 PolarHBondContact O-N 2.91Å; T14-W47 VanDerWaalsContact O-CD1 3.26Å; L38-W47 HydrophobicContact CB-CE3 3.89Å; L38-W47 HydrophobicContact CB-CZ3 4.04Å; R40-W47 HydrophobicContact CB-CD2 4.32Å; R40-W47 HydrophobicContact CB-CE3 4.04Å; R40-W47 HydrophobicContact CB-CZ3 4.21Å
48I88.6Confident85.3Confident44 Ų4472.6 Ų72.623%0.22636%0.359CS..EExtended strand (participates in β ladder)trans-124.2129.7170-58.8176.4000106.1M9 V39 D41 F50M9-I48 HydrophobicContact CG-CG2 3.65Å; M9-I48 HydrophobicContact SD-CG2 4.12Å; V39-I48 PolarHBondContact N-O 2.72Å; V39-I48 PolarHBondContact O-N 3.19Å; D41-I48 HydrophobicContact CB-CD1 4.11Å; I48-F50 HydrophobicContact CB-CE2 4.49Å; I48-F50 HydrophobicContact CG2-CD2 4.45Å; I48-F50 HydrophobicContact CG2-CE2 3.78Å; I48-F50 HydrophobicContact CG2-CZ 4.05Å
49G89.2Confident85.2Confident0 Ų070.9 Ų70.90%035%0.35CS..EExtended strand (participates in β ladder)trans-102.1149.4175.700000111M9 L10 L13M9-G49 CarbonylContact C-O 3.6Å; M9-G49 WeakPolarHBondContact CA-O 3.38Å; L10-G49 PolarHBondContact N-O 2.92Å; L10-G49 PolarHBondContact O-N 3.35Å; L13-G49 VanDerWaalsContact CD1-N 3.35Å
50F92.2Very high85.2Confident51 Ų5170.6 Ų70.622%0.22434%0.343CS..EExtended strand (participates in β ladder)trans-123.8130.7168.6-63.5-96.6000107.8T7 I8 M9 V36 R37 V39 I48T7-F50 HydrophobicContact CG2-CB 4.22Å; T7-F50 HydrophobicContact CG2-CD1 4.18Å; I8-F50 CarbonylContact O-C 3.55Å; I8-F50 WeakPolarHBondContact O-CA 3.44Å; M9-F50 HydrophobicContact CE-CE1 3.72Å; M9-F50 HydrophobicContact CE-CZ 4.06Å; M9-F50 HydrophobicContact CG-CE1 4.17Å; M9-F50 HydrophobicContact CG-CZ 4.4Å; V36-F50 CarbonylContact C-O 3.51Å; V36-F50 WeakPolarHBondContact CA-O 3.46Å; R37-F50 HydrophobicContact CB-CB 4.45Å; R37-F50 PolarHBondContact N-O 2.78Å; R37-F50 PolarHBondContact O-N 3.04Å; V39-F50 HydrophobicContact CB-CE2 4.37Å; V39-F50 HydrophobicContact CG2-CD2 4.18Å; V39-F50 HydrophobicContact CG2-CE2 4.1Å; I48-F50 HydrophobicContact CB-CE2 4.49Å; I48-F50 HydrophobicContact CG2-CD2 4.45Å; I48-F50 HydrophobicContact CG2-CE2 3.78Å; I48-F50 HydrophobicContact CG2-CZ 4.05Å
51V91.8Very high85.4Confident3 Ų367.9 Ų67.92%0.01834%0.337CS..EExtended strand (participates in β ladder)trans-121.3119177.8-175.80000107.5T7 I8 L10 L26 Y33 D35 V36 F53T7-V51 CarbonylContact C-O 3.47Å; T7-V51 WeakPolarHBondContact CA-O 3.44Å; I8-V51 PolarHBondContact N-O 3.42Å; I8-V51 PolarHBondContact O-N 3.5Å; L10-V51 HydrophobicContact CD1-CG2 3.59Å; L10-V51 HydrophobicContact CG-CG2 4.33Å; L26-V51 HydrophobicContact CD1-CB 4.47Å; L26-V51 HydrophobicContact CD1-CG1 3.71Å; L26-V51 HydrophobicContact CD1-CG2 3.87Å; L26-V51 HydrophobicContact CD2-CG1 4.14Å; L26-V51 HydrophobicContact CD2-CG2 4.44Å; Y33-V51 HydrophobicContact CG-CG1 4.25Å; D35-V51 WeakPolarHBondContact O-CA 3.34Å; V36-V51 HydrophobicContact CG2-CG1 4.38Å; V36-V51 HydrophobicContact CG2-CG2 4.48Å; V51-F53 HydrophobicContact CB-CE2 3.92Å; V51-F53 HydrophobicContact CG1-CD2 4.07Å; V51-F53 HydrophobicContact CG1-CE2 3.46Å; V51-F53 VanDerWaalsContact CG1-CE2 3.46Å; V51-F53 HydrophobicContact CG1-CZ 3.99Å
52D91.3Very high85.9Confident22 Ų2266.4 Ų66.412%0.11833%0.328CS..EExtended strand (participates in β ladder)trans-98.1113.4-177.6-60.2-65.9000109.5T7 T34 D35 R37T7-D52 WeakPolarHBondContact CB-OD1 3.38Å; T7-D52 WeakPolarHBondContact CG2-OD1 3.34Å; T7-D52 PolarHBondContact OG1-OD1 3.28Å; T34-D52 PolarHBondContact N-O 2.74Å; T34-D52 PolarHBondContact OG1-O 3.21Å; D35-D52 PolarHBondContact O-N 3.14Å; R37-D52 IonicContact CZ-OD2 3.17Å; R37-D52 IonicContact NE-OD2 2.61Å; R37-D52 PolarHBondContact NE-OD2 2.88Å; R37-D52 IonicContact NH2-OD1 3.25Å; R37-D52 PolarHBondContact NH2-OD1 3.41Å; R37-D52 IonicContact NH2-OD2 2.78Å; R37-D52 PolarHBondContact NH2-OD2 3.05Å
53F91.2Very high86.5Confident9 Ų957.8 Ų57.84%0.03929%0.292CS..EExtended strand (participates in β ladder)trans-85.9157.6-178.6-73.4-105.2000112.4P6 I8 A31 N32 V51 S55 D58 A59 F62P6-F53 WeakPolarHBondContact O-CB 3.33Å; P6-F53 PolarHBondContact O-N 3.49Å; I8-F53 HydrophobicContact CB-CE2 4.14Å; I8-F53 HydrophobicContact CD1-CD2 4.04Å; I8-F53 HydrophobicContact CD1-CE2 3.47Å; I8-F53 VanDerWaalsContact CD1-CE2 3.47Å; I8-F53 HydrophobicContact CD1-CZ 3.91Å; I8-F53 HydrophobicContact CG1-CD2 4.1Å; I8-F53 HydrophobicContact CG1-CE2 3.82Å; A31-F53 HydrophobicContact CB-CE1 4.02Å; A31-F53 HydrophobicContact CB-CZ 4.41Å; N32-F53 WeakPolarHBondContact O-CD1 3.45Å; V51-F53 HydrophobicContact CB-CE2 3.92Å; V51-F53 HydrophobicContact CG1-CD2 4.07Å; V51-F53 HydrophobicContact CG1-CE2 3.46Å; V51-F53 VanDerWaalsContact CG1-CE2 3.46Å; V51-F53 HydrophobicContact CG1-CZ 3.99Å; F53-S55 VanDerWaalsContact C-N 3.3Å; F53-S55 PolarHBondContact O-N 3.29Å; F53-D58 HydrophobicContact CB-CB 4.34Å; F53-D58 HydrophobicContact CD1-CB 4.03Å; F53-A59 HydrophobicContact CB-CB 4.11Å; F53-A59 HydrophobicContact CD2-CB 4.12Å; F53-A59 HydrophobicContact CG-CB 4.02Å; F53-F62 HydrophobicContact CE1-CB 3.7Å; F53-F62 HydrophobicContact CE1-CD1 4.12Å; F53-F62 HydrophobicContact CE1-CD2 4.23Å; F53-F62 AromaticContact CE1-CG 3.76Å; F53-F62 HydrophobicContact CE1-CG 3.76Å; F53-F62 HydrophobicContact CE2-CD1 4.33Å; F53-F62 HydrophobicContact CZ-CB 3.96Å; F53-F62 AromaticContact CZ-CD1 3.49Å; F53-F62 HydrophobicContact CZ-CD1 3.49Å; F53-F62 VanDerWaalsContact CZ-CD1 3.49Å; F53-F62 HydrophobicContact CZ-CD2 4.2Å; F53-F62 AromaticContact CZ-CE1 3.94Å; F53-F62 HydrophobicContact CZ-CE1 3.94Å; F53-F62 AromaticContact CZ-CG 3.61Å; F53-F62 HydrophobicContact CZ-CG 3.61Å; F53-F62 HydrophobicContact CZ-CZ 4.46Å
54V89.3Confident87Confident101 Ų10156 Ų5661%0.61228%0.28SS*.SBendtrans-61.2-40.6177.91780000111.1N32 T34 D58N32-V54 HydrophobicContact CB-CG2 4.42Å; N32-V54 PolarHBondContact O-N 2.85Å; T34-V54 HydrophobicContact CG2-CB 4.34Å; T34-V54 HydrophobicContact CG2-CG2 3.6Å; V54-D58 WeakPolarHBondContact CB-OD2 3.21Å
55S87.1Confident87.5Confident47 Ų4756.6 Ų56.633%0.32928%0.28SS..  trans-134152.8174.7-1760000112.3F53 N57 D58 A59F53-S55 VanDerWaalsContact C-N 3.3Å; F53-S55 PolarHBondContact O-N 3.29Å; S55-N57 PolarHBondContact O-N 2.95Å; S55-N57 PolarHBondContact OG-N 3.02Å; S55-N57 VanDerWaalsContact OG-N 3.15Å; S55-D58 WeakPolarHBondContact CA-OD2 3.47Å; S55-D58 WeakPolarHBondContact CB-OD2 3.47Å; S55-D58 PolarHBondContact N-OD2 2.83Å; S55-D58 PolarHBondContact O-N 2.68Å; S55-A59 PolarHBondContact O-N 3.32Å; S55-A59 VanDerWaalsContact O-N 3.12Å
56A86.9Confident87.9Confident29 Ų2956 Ų5624%0.2427%0.271CS..Hα-helixtrans-61.4-18.6166.300000112.6P6 K60P6-A56 HydrophobicContact CB-CB 4.4Å; A56-K60 WeakPolarHBondContact O-CG 3.32Å; A56-K60 PolarHBondContact O-N 3.35Å
57N87.9Confident88.1Confident94 Ų9456.9 Ų56.950%0.50328%0.282SS..Hα-helixtrans-77.6-34.3170.8-75.2-7.3000112.8S55 K60 Q61S55-N57 PolarHBondContact O-N 2.95Å; S55-N57 PolarHBondContact OG-N 3.02Å; S55-N57 VanDerWaalsContact OG-N 3.15Å; N57-K60 WeakPolarHBondContact O-CB 3.43Å; N57-K60 PolarHBondContact O-N 3.42Å; N57-K60 PolarHBondContact OD1-NZ 3.28Å; N57-Q61 PolarHBondContact O-N 2.82Å
58D89.3Confident87.9Confident42 Ų4253.9 Ų53.923%0.22528%0.275CS..Hα-helixtrans-68.2-42.1175.2-48.9-40.8000110N32 F53 V54 S55 K60 Q61 F62N32-D58 HydrophobicContact CB-CB 4.46Å; F53-D58 HydrophobicContact CB-CB 4.34Å; F53-D58 HydrophobicContact CD1-CB 4.03Å; V54-D58 WeakPolarHBondContact CB-OD2 3.21Å; S55-D58 WeakPolarHBondContact CA-OD2 3.47Å; S55-D58 WeakPolarHBondContact CB-OD2 3.47Å; S55-D58 PolarHBondContact N-OD2 2.83Å; S55-D58 PolarHBondContact O-N 2.68Å; D58-K60 VanDerWaalsContact C-N 3.34Å; D58-K60 PolarHBondContact O-N 2.73Å; D58-Q61 PolarHBondContact O-N 3.1Å; D58-F62 WeakPolarHBondContact O-CB 3.35Å; D58-F62 PolarHBondContact O-N 2.95Å
59A88.5Confident87.8Confident0 Ų055.6 Ų55.60%028%0.283CS..Hα-helixtrans-57.7-43.1171.500000112.2T5 I8 F53 S55 Q61 M63 Y81T5-A59 WeakPolarHBondContact O-CB 3.46Å; I8-A59 HydrophobicContact CD1-CB 4.05Å; I8-A59 HydrophobicContact CG1-CB 4.18Å; F53-A59 HydrophobicContact CB-CB 4.11Å; F53-A59 HydrophobicContact CD2-CB 4.12Å; F53-A59 HydrophobicContact CG-CB 4.02Å; S55-A59 PolarHBondContact O-N 3.32Å; S55-A59 VanDerWaalsContact O-N 3.12Å; A59-Q61 VanDerWaalsContact C-N 3.29Å; A59-Q61 PolarHBondContact O-N 2.84Å; A59-M63 VanDerWaalsContact O-CB 3.3Å; A59-M63 WeakPolarHBondContact O-CB 3.43Å; A59-M63 WeakPolarHBondContact O-CG 3.44Å; A59-M63 PolarHBondContact O-N 2.85Å; A59-Y81 HydrophobicContact CB-CE1 4.43Å
60K88.2Confident87.8Confident72 Ų7256 Ų5631%0.31329%0.285SS..Hα-helixtrans-64.7-29.4173.2-72.8167.3-160.5163.30113.6P4 A56 N57 D58 R64 Y81P4-K60 HydrophobicContact CB-CD 4.15Å; P4-K60 VanDerWaalsContact CB-CE 3.49Å; P4-K60 HydrophobicContact CB-CG 3.67Å; P4-K60 HydrophobicContact CG-CD 4.38Å; P4-K60 HydrophobicContact CG-CG 4.41Å; A56-K60 WeakPolarHBondContact O-CG 3.32Å; A56-K60 PolarHBondContact O-N 3.35Å; N57-K60 WeakPolarHBondContact O-CB 3.43Å; N57-K60 PolarHBondContact O-N 3.42Å; N57-K60 PolarHBondContact OD1-NZ 3.28Å; D58-K60 VanDerWaalsContact C-N 3.34Å; D58-K60 PolarHBondContact O-N 2.73Å; K60-R64 WeakPolarHBondContact O-CG 3.46Å; K60-R64 PolarHBondContact O-N 2.84Å; K60-R64 PolarHBondContact O-NE 2.85Å; K60-Y81 WeakPolarHBondContact CA-OH 3.46Å
61Q87.2Confident87.5Confident106 Ų10659.2 Ų59.250%0.49530%0.3SS..Hα-helixtrans-76-55.2179-176.1147.3-22.100109.6N57 D58 A59 M63 R64 D65N57-Q61 PolarHBondContact O-N 2.82Å; D58-Q61 PolarHBondContact O-N 3.1Å; A59-Q61 VanDerWaalsContact C-N 3.29Å; A59-Q61 PolarHBondContact O-N 2.84Å; Q61-M63 VanDerWaalsContact C-N 3.29Å; Q61-M63 PolarHBondContact O-N 2.96Å; Q61-R64 WeakPolarHBondContact O-CA 3.09Å; Q61-R64 WeakPolarHBondContact O-CB 3.3Å; Q61-R64 PolarHBondContact O-N 3.21Å; Q61-D65 WeakPolarHBondContact CG-OD2 3.36Å; Q61-D65 PolarHBondContact O-N 3.48Å
62F89.1Confident87.2Confident11 Ų1159.1 Ų59.15%0.04830%0.3CS..Hα-helixtrans-52.4-41.5173.5-175.9-99.3000113.7I8 L26 E29 A31 F53 D58 R64 D65 C66 I70 L79I8-F62 HydrophobicContact CD1-CD1 3.72Å; I8-F62 HydrophobicContact CD1-CE1 4.39Å; L26-F62 HydrophobicContact CD2-CE1 4.22Å; L26-F62 HydrophobicContact CD2-CE2 3.95Å; L26-F62 HydrophobicContact CD2-CZ 3.51Å; E29-F62 HydrophobicContact CB-CE2 3.96Å; A31-F62 HydrophobicContact CB-CD2 3.66Å; A31-F62 HydrophobicContact CB-CE2 3.68Å; F53-F62 HydrophobicContact CE1-CB 3.7Å; F53-F62 HydrophobicContact CE1-CD1 4.12Å; F53-F62 HydrophobicContact CE1-CD2 4.23Å; F53-F62 AromaticContact CE1-CG 3.76Å; F53-F62 HydrophobicContact CE1-CG 3.76Å; F53-F62 HydrophobicContact CE2-CD1 4.33Å; F53-F62 HydrophobicContact CZ-CB 3.96Å; F53-F62 AromaticContact CZ-CD1 3.49Å; F53-F62 HydrophobicContact CZ-CD1 3.49Å; F53-F62 VanDerWaalsContact CZ-CD1 3.49Å; F53-F62 HydrophobicContact CZ-CD2 4.2Å; F53-F62 AromaticContact CZ-CE1 3.94Å; F53-F62 HydrophobicContact CZ-CE1 3.94Å; F53-F62 AromaticContact CZ-CG 3.61Å; F53-F62 HydrophobicContact CZ-CG 3.61Å; F53-F62 HydrophobicContact CZ-CZ 4.46Å; D58-F62 WeakPolarHBondContact O-CB 3.35Å; D58-F62 PolarHBondContact O-N 2.95Å; F62-R64 VanDerWaalsContact C-N 3.28Å; F62-R64 PolarHBondContact O-N 2.63Å; F62-D65 PolarHBondContact O-N 3.36Å; F62-C66 WeakPolarHBondContact O-CB 3.2Å; F62-C66 PolarHBondContact O-N 2.82Å; F62-I70 HydrophobicContact CZ-CD1 3.88Å; F62-L79 HydrophobicContact CD1-CD1 4.2Å; F62-L79 HydrophobicContact CE1-CD1 3.69Å; F62-L79 HydrophobicContact CE1-CD2 4.12Å; F62-L79 HydrophobicContact CZ-CD1 4.47Å
63M87.8Confident86.7Confident29 Ų2964 Ų6414%0.14332%0.317CS..Hα-helixtrans-64.1-26.9174.7-76-71.2-68.400114.4I8 A59 Q61 G68 L79 Y81I8-M63 HydrophobicContact CD1-CG 3.63Å; I8-M63 HydrophobicContact CD1-SD 3.95Å; I8-M63 HydrophobicContact CG1-CG 4.45Å; I8-M63 HydrophobicContact CG2-SD 4.15Å; A59-M63 VanDerWaalsContact O-CB 3.3Å; A59-M63 WeakPolarHBondContact O-CB 3.43Å; A59-M63 WeakPolarHBondContact O-CG 3.44Å; A59-M63 PolarHBondContact O-N 2.85Å; Q61-M63 VanDerWaalsContact C-N 3.29Å; Q61-M63 PolarHBondContact O-N 2.96Å; M63-G68 PolarHBondContact O-N 3.36Å; M63-L79 HydrophobicContact CE-CB 4.29Å; M63-L79 HydrophobicContact SD-CB 3.47Å; M63-L79 WeakPolarHBondContact SD-CB 3.28Å; M63-L79 HydrophobicContact SD-CD1 4.25Å; M63-L79 HydrophobicContact SD-CG 4.48Å; M63-Y81 HydrophobicContact CE-CD2 4.3Å; M63-Y81 HydrophobicContact CE-CE2 4.04Å; M63-Y81 HydrophobicContact CG-CE1 3.88Å; M63-Y81 HydrophobicContact CG-CE2 4.35Å
64R86.5Confident86.1Confident159 Ų15972.7 Ų72.760%0.635%0.354SS*.Hα-helixtrans-83.8-44.9174.6-77.3176-71.4151.63.3111K60 Q61 F62 Q67K60-R64 WeakPolarHBondContact O-CG 3.46Å; K60-R64 PolarHBondContact O-N 2.84Å; K60-R64 PolarHBondContact O-NE 2.85Å; Q61-R64 WeakPolarHBondContact O-CA 3.09Å; Q61-R64 WeakPolarHBondContact O-CB 3.3Å; Q61-R64 PolarHBondContact O-N 3.21Å; F62-R64 VanDerWaalsContact C-N 3.28Å; F62-R64 PolarHBondContact O-N 2.63Å; R64-Q67 PolarHBondContact O-N 2.89Å
65D86.1Confident85.7Confident103 Ų10369.9 Ų69.955%0.55134%0.337SS*.Hα-helixtrans-65.1-44.6-175.2-57.1-20.8000110.4Q61 F62 Q67Q61-D65 WeakPolarHBondContact CG-OD2 3.36Å; Q61-D65 PolarHBondContact O-N 3.48Å; F62-D65 PolarHBondContact O-N 3.36Å; D65-Q67 VanDerWaalsContact C-N 3.31Å; D65-Q67 PolarHBondContact O-N 2.94Å
66C83.6Confident85.7Confident15 Ų1573.2 Ų73.210%0.10135%0.35CS..THydrogen-bonded Turntrans-84.36.6171.9-53.70000114.2F62 G68 E69 L79F62-C66 WeakPolarHBondContact O-CB 3.2Å; F62-C66 PolarHBondContact O-N 2.82Å; C66-G68 PolarHBondContact O-N 2.93Å; C66-E69 PolarHBondContact O-N 3.29Å; C66-L79 HydrophobicContact CB-CD1 3.94Å
67Q83.5Confident85.7Confident179 Ų17971.8 Ų71.884%0.83634%0.339SS*.THydrogen-bonded Turntrans50.919.8-179.6-53.9-173.2500116.3R64 D65R64-Q67 PolarHBondContact O-N 2.89Å; D65-Q67 VanDerWaalsContact C-N 3.31Å; D65-Q67 PolarHBondContact O-N 2.94Å
68G79.9Confident85.6Confident16 Ų1675 Ų7517%0.16534%0.344CS..THydrogen-bonded Turntrans87.20.1-177.400000116.5M63 C66 L79M63-G68 PolarHBondContact O-N 3.36Å; C66-G68 PolarHBondContact O-N 2.93Å; G68-L79 WeakPolarHBondContact O-CB 3.01Å; G68-L79 PolarHBondContact O-N 2.99Å
69E86.9Confident85.6Confident80 Ų8073.5 Ų73.537%0.37434%0.335SS..EExtended strand (participates in β ladder)trans-134.3142.3175.9-63.3-165.4155.200111.5C66 I76 I77 R78C66-E69 PolarHBondContact O-N 3.29Å; E69-I76 HydrophobicContact CB-CG2 3.81Å; E69-I76 HydrophobicContact CG-CG2 4.29Å; E69-I76 VanDerWaalsContact OE2-CG2 3.29Å; E69-I76 WeakPolarHBondContact OE2-CG2 3.4Å; E69-I77 WeakPolarHBondContact CA-O 3.39Å; E69-R78 HydrophobicContact CG-CG 4.05Å; E69-R78 WeakPolarHBondContact OE1-CG 3.42Å; E69-R78 IonicContact OE1-CZ 2.7Å; E69-R78 VanDerWaalsContact OE1-CZ 3.29Å; E69-R78 IonicContact OE1-NE 3.68Å; E69-R78 PolarHBondContact OE1-NE 3.5Å; E69-R78 IonicContact OE1-NH2 2.99Å; E69-R78 PolarHBondContact OE1-NH2 3.02Å
70I88.3Confident85.6Confident9 Ų976.6 Ų76.65%0.04635%0.352CS..EExtended strand (participates in β ladder)trans-132.1138.7-179.7-168.2169.4000111.5L10 T25 E29 F62 I72 I77 L79L10-I70 HydrophobicContact CD2-CG2 3.78Å; T25-I70 HydrophobicContact CG2-CD1 3.67Å; T25-I70 HydrophobicContact CG2-CG1 3.83Å; E29-I70 HydrophobicContact CG-CD1 4.16Å; F62-I70 HydrophobicContact CZ-CD1 3.88Å; I70-I72 HydrophobicContact CG2-CD1 4.27Å; I70-I72 HydrophobicContact CG2-CG1 4.23Å; I70-I77 HydrophobicContact CG2-CB 4.16Å; I70-I77 HydrophobicContact CG2-CG2 4.31Å; I70-I77 PolarHBondContact N-O 3.21Å; I70-I77 PolarHBondContact O-N 3.17Å; I70-L79 HydrophobicContact CB-CD1 4.47Å; I70-L79 HydrophobicContact CG2-CD2 3.87Å; I70-L79 HydrophobicContact CG2-CG 4.27Å
71E87Confident85.5Confident117 Ų11775.3 Ų75.355%0.54735%0.346SS..EExtended strand (participates in β ladder)trans-89.7111.9176.7-165.2-16312900111.3T25 K74T25-E71 WeakPolarHBondContact CG2-O 3.21Å; E71-K74 WeakPolarHBondContact OE1-CA 3.41Å; E71-K74 PolarHBondContact OE1-N 2.88Å; E71-K74 VanDerWaalsContact OE1-N 3.1Å
72I84.9Confident85.2Confident2 Ų270.9 Ų70.91%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-116.7113.3171.9-46.6-176.3000108.3L10 L13 T17 D21 V22 T25 I70 T75 I77L10-I72 HydrophobicContact CD2-CD1 4.29Å; L13-I72 HydrophobicContact CD2-CD1 4.25Å; T17-I72 HydrophobicContact CG2-CG2 3.92Å; D21-I72 HydrophobicContact CB-CG2 4.13Å; V22-I72 HydrophobicContact CB-CD1 4.37Å; V22-I72 HydrophobicContact CG1-CD1 4.25Å; V22-I72 HydrophobicContact CG2-CD1 3.99Å; T25-I72 HydrophobicContact CG2-CG1 4.23Å; I70-I72 HydrophobicContact CG2-CD1 4.27Å; I70-I72 HydrophobicContact CG2-CG1 4.23Å; I72-T75 PolarHBondContact N-O 2.67Å; I72-T75 WeakPolarHBondContact O-CB 3.4Å; I72-T75 PolarHBondContact O-N 3.32Å; I72-I77 HydrophobicContact CB-CD1 3.52Å; I72-I77 HydrophobicContact CD1-CD1 3.93Å; I72-I77 HydrophobicContact CG1-CD1 3.68Å
73R81.1Confident84.1Confident125 Ų12575.1 Ų75.147%0.47235%0.349SS..THydrogen-bonded Turntrans51.157.6-175.2-63.3-177.4169.9-176.53113.2S16 D21 T75S16-R73 PolarHBondContact O-NH1 3.35Å; S16-R73 PolarHBondContact OG-NH1 2.9Å; D21-R73 VanDerWaalsContact CG-CZ 3.44Å; D21-R73 IonicContact OD1-CZ 3.43Å; D21-R73 IonicContact OD1-NE 2.85Å; D21-R73 PolarHBondContact OD1-NE 3.1Å; D21-R73 IonicContact OD1-NH2 3.29Å; D21-R73 PolarHBondContact OD1-NH2 3.21Å; D21-R73 IonicContact OD2-CZ 2.71Å; D21-R73 VanDerWaalsContact OD2-CZ 3.25Å; D21-R73 IonicContact OD2-NE 2.68Å; D21-R73 PolarHBondContact OD2-NE 3.28Å; D21-R73 IonicContact OD2-NH2 2.62Å; D21-R73 PolarHBondContact OD2-NH2 3.31Å; R73-T75 PolarHBondContact O-N 3.09Å; R73-T75 PolarHBondContact O-OG1 2.92Å
74K79Confident82.6Confident191 Ų19178.1 Ų78.183%0.8337%0.371SS*.THydrogen-bonded Turntrans5821.1179.5-52.9-174.3178.3-172.70114.5E71E71-K74 WeakPolarHBondContact OE1-CA 3.41Å; E71-K74 PolarHBondContact OE1-N 2.88Å; E71-K74 VanDerWaalsContact OE1-N 3.1Å
75T81.4Confident80.9Confident42 Ų4279.9 Ų79.926%0.25838%0.383SS..EExtended strand (participates in β ladder)trans-119.5116.8174.3-50.50000108T14 I72 R73 I77T14-T75 HydrophobicContact CG2-CG2 3.98Å; T14-T75 WeakPolarHBondContact CG2-OG1 3.44Å; I72-T75 PolarHBondContact N-O 2.67Å; I72-T75 WeakPolarHBondContact O-CB 3.4Å; I72-T75 PolarHBondContact O-N 3.32Å; R73-T75 PolarHBondContact O-N 3.09Å; R73-T75 PolarHBondContact O-OG1 2.92Å; T75-I77 HydrophobicContact CG2-CG1 4.29Å; T75-I77 WeakPolarHBondContact O-CD1 3.37Å
76I86.4Confident78.7Confident116 Ų11683.8 Ų83.860%0.59540%0.398SS*.EExtended strand (participates in β ladder)trans-75.2125.6174.7-56.2175000108.3E69E69-I76 HydrophobicContact CB-CG2 3.81Å; E69-I76 HydrophobicContact CG-CG2 4.29Å; E69-I76 VanDerWaalsContact OE2-CG2 3.29Å; E69-I76 WeakPolarHBondContact OE2-CG2 3.4Å
77I87.6Confident76.5Confident0 Ų091.9 Ų91.90%043%0.432CS..EExtended strand (participates in β ladder)trans-122.3130-172.1-73.2143.8000109.3L10 L13 E69 I70 I72 T75L10-I77 HydrophobicContact CB-CG2 3.93Å; L10-I77 HydrophobicContact CD2-CG2 3.62Å; L10-I77 HydrophobicContact CG-CG2 4.43Å; L13-I77 HydrophobicContact CD2-CD1 3.61Å; L13-I77 HydrophobicContact CD2-CG1 4.28Å; L13-I77 HydrophobicContact CD2-CG2 4.49Å; E69-I77 WeakPolarHBondContact CA-O 3.39Å; I70-I77 HydrophobicContact CG2-CB 4.16Å; I70-I77 HydrophobicContact CG2-CG2 4.31Å; I70-I77 PolarHBondContact N-O 3.21Å; I70-I77 PolarHBondContact O-N 3.17Å; I72-I77 HydrophobicContact CB-CD1 3.52Å; I72-I77 HydrophobicContact CD1-CD1 3.93Å; I72-I77 HydrophobicContact CG1-CD1 3.68Å; T75-I77 HydrophobicContact CG2-CG1 4.29Å; T75-I77 WeakPolarHBondContact O-CD1 3.37Å
78R86.1Confident74.2Confident161 Ų16193.1 Ų93.161%0.60843%0.429SS*.EExtended strand (participates in β ladder)trans-81.9123.3-177.2-75.8-179.3172.9178.4-3.2111.3R11 E69 N80R11-R78 PolarHBondContact N-O 3.23Å; R11-R78 PolarHBondContact O-N 3.49Å; E69-R78 HydrophobicContact CG-CG 4.05Å; E69-R78 WeakPolarHBondContact OE1-CG 3.42Å; E69-R78 IonicContact OE1-CZ 2.7Å; E69-R78 VanDerWaalsContact OE1-CZ 3.29Å; E69-R78 IonicContact OE1-NE 3.68Å; E69-R78 PolarHBondContact OE1-NE 3.5Å; E69-R78 IonicContact OE1-NH2 2.99Å; E69-R78 PolarHBondContact OE1-NH2 3.02Å; R78-N80 PolarHBondContact O-ND2 3.05Å
79L89.3Confident72.1Confident10 Ų1099.5 Ų99.55%0.05246%0.459CS..EExtended strand (participates in β ladder)trans-84.1133.7170.8-55.2172.1000108.8I8 L10 F62 M63 C66 G68 I70I8-L79 HydrophobicContact CG2-CB 3.94Å; I8-L79 HydrophobicContact CG2-CD2 3.91Å; I8-L79 HydrophobicContact CG2-CG 4.5Å; L10-L79 HydrophobicContact CD2-CD2 3.49Å; L10-L79 VanDerWaalsContact CD2-CD2 3.49Å; L10-L79 HydrophobicContact CG-CD2 4.27Å; F62-L79 HydrophobicContact CD1-CD1 4.2Å; F62-L79 HydrophobicContact CE1-CD1 3.69Å; F62-L79 HydrophobicContact CE1-CD2 4.12Å; F62-L79 HydrophobicContact CZ-CD1 4.47Å; M63-L79 HydrophobicContact CE-CB 4.29Å; M63-L79 HydrophobicContact SD-CB 3.47Å; M63-L79 WeakPolarHBondContact SD-CB 3.28Å; M63-L79 HydrophobicContact SD-CD1 4.25Å; M63-L79 HydrophobicContact SD-CG 4.48Å; C66-L79 HydrophobicContact CB-CD1 3.94Å; G68-L79 WeakPolarHBondContact O-CB 3.01Å; G68-L79 PolarHBondContact O-N 2.99Å; I70-L79 HydrophobicContact CB-CD1 4.47Å; I70-L79 HydrophobicContact CG2-CD2 3.87Å; I70-L79 HydrophobicContact CG2-CG 4.27Å
80N87.7Confident69.9Low66 Ų66101.7 Ų101.735%0.35347%0.473SS..EExtended strand (participates in β ladder)trans-138.1141.7173.6-63.6-110.7000107.1M9 R78 S82M9-N80 PolarHBondContact N-O 3.45Å; M9-N80 PolarHBondContact O-N 3.2Å; M9-N80 VanDerWaalsContact O-N 3.09Å; R78-N80 PolarHBondContact O-ND2 3.05Å; N80-S82 PolarHBondContact O-N 3.08Å
81Y87.2Confident67.6Low44 Ų44109.3 Ų109.317%0.17351%0.509CS..EExtended strand (participates in β ladder)trans-57.3129.4165.6-65.9-71.2000108.5D2 P4 A59 K60 M63 N83D2-Y81 HydrophobicContact CB-CD2 4.1Å; P4-Y81 HydrophobicContact CB-CD1 4.36Å; P4-Y81 HydrophobicContact CB-CE1 3.84Å; P4-Y81 HydrophobicContact CB-CE2 4.32Å; A59-Y81 HydrophobicContact CB-CE1 4.43Å; K60-Y81 WeakPolarHBondContact CA-OH 3.46Å; M63-Y81 HydrophobicContact CE-CD2 4.3Å; M63-Y81 HydrophobicContact CE-CE2 4.04Å; M63-Y81 HydrophobicContact CG-CE1 3.88Å; M63-Y81 HydrophobicContact CG-CE2 4.35Å; Y81-N83 PolarHBondContact O-N 3.14Å; Y81-N83 VanDerWaalsContact O-N 3.07Å
82S79Confident65.6Low13 Ų13111.7 Ų111.79%0.09152%0.517CS..  trans-75.5105.2172.880.50000106.8T5 T7 N80 P84T5-S82 PolarHBondContact OG1-N 3.39Å; T5-S82 PolarHBondContact OG1-O 3.02Å; T7-S82 VanDerWaalsContact CB-OG 3.29Å; T7-S82 WeakPolarHBondContact CB-OG 3.45Å; T7-S82 VanDerWaalsContact CG2-OG 3.32Å; T7-S82 WeakPolarHBondContact CG2-OG 3.28Å; T7-S82 PolarHBondContact O-N 3.44Å; T7-S82 PolarHBondContact O-OG 3.39Å; N80-S82 PolarHBondContact O-N 3.08Å; S82-P84 WeakPolarHBondContact O-CD 3.05Å; S82-P84 VanDerWaalsContact O-N 3.17Å
83N67.6Low63.9Low100 Ų100118.6 Ų118.654%0.53555%0.554SS.*PPolyproline II helixtrans-52.7124.1162.2-82-4.7000106.7Y81 K85Y81-N83 PolarHBondContact O-N 3.14Å; Y81-N83 VanDerWaalsContact O-N 3.07Å; N83-K85 PolarHBondContact O-N 3.4Å
84P56.6Low62.9Low92 Ų92117.5 Ų117.560%0.59756%0.558SS**PPolyproline II helixtrans-54137.2161.527-34.2000106.2S82 E86S82-P84 WeakPolarHBondContact O-CD 3.05Å; S82-P84 VanDerWaalsContact O-N 3.17Å; P84-E86 PolarHBondContact O-N 2.8Å; P84-E86 VanDerWaalsContact O-N 3.14Å
85K50.2Low62.6Low197 Ų197109 Ų10986%0.85752%0.524SS*.PPolyproline II helixtrans-53.9126.9154.9-81.6-173.2170.1-170.30105.4N83 K87N83-K85 PolarHBondContact O-N 3.4Å; K85-K87 PolarHBondContact O-N 3.5Å
86E40Very low62.6Low184 Ų184107.6 Ų107.686%0.8652%0.515SS*.  trans-48.7108.5169.4-68.9163144.600106.8P84 R88P84-E86 PolarHBondContact O-N 2.8Å; P84-E86 VanDerWaalsContact O-N 3.14Å; E86-R88 PolarHBondContact O-N 3.35Å
87K37.8Very low62.6Low186 Ų186104.6 Ų104.681%0.80950%0.503SS*.  trans-60.6122.4153.4-67.6-180178.5-1790102.9K85K85-K87 PolarHBondContact O-N 3.5Å
88R35.1Very low62.7Low204 Ų204106 Ų10677%0.7751%0.512SS*.  trans-60146.4160.1-60.3176.3-169.3161-0.1106.3E86 D90E86-R88 PolarHBondContact O-N 3.35Å; R88-D90 PolarHBondContact O-N 3.43Å
89D36.1Very low62.9Low151 Ų15198.3 Ų98.381%0.80748%0.483SS*.SBendtrans-78.748.3-168.2-48.9-85.9000112.2E91D89-E91 PolarHBondContact O-N 3.11Å
90D39Very low63Low126 Ų12699 Ų9967%0.67449%0.487SS*.  trans-71.839.9172-55.2-52.4000110.6R88 F92R88-D90 PolarHBondContact O-N 3.43Å; D90-F92 PolarHBondContact O-N 3.45Å
91E40.4Very low63.2Low169 Ų16996 Ų9679%0.7947%0.47SS*.THydrogen-bonded Turntrans-77.811.6-163.7-154170.8-165.800114.3D89D89-E91 PolarHBondContact O-N 3.11Å
92F44.6Very low63.4Low166 Ų166100.2 Ų100.273%0.72849%0.486SS*.THydrogen-bonded Turntrans-133.6-16.6-172.7-96.9-91.9000117.8D90 R153D90-F92 PolarHBondContact O-N 3.45Å; F92-R153 PolarHBondContact O-NH2 2.58Å
93D50.9Low63.8Low147 Ų147102 Ų10279%0.78651%0.506SS*.  trans-97.5-21.3-163.5-95.1-51.7000116.8A95D93-A95 PolarHBondContact O-N 3.42Å
94D58.8Low64.8Low102 Ų10297.4 Ų97.455%0.54548%0.482SS..  trans-77.325.9-170.8-128.81.2000114.4S96 Y174D94-S96 PolarHBondContact O-N 2.96Å; D94-Y174 WeakPolarHBondContact O-CB 3.32Å
95A72.1Confident66.1Low14 Ų1494.2 Ų94.212%0.11646%0.461CS..  trans-8295.5-176.500000112.4D93 V149 R153 Y174D93-A95 PolarHBondContact O-N 3.42Å; A95-V149 HydrophobicContact CB-CG1 4Å; A95-V149 VanDerWaalsContact O-CG1 3.26Å; A95-V149 WeakPolarHBondContact O-CG1 3.42Å; A95-R153 HydrophobicContact CB-CG 4.13Å; A95-R153 VanDerWaalsContact CB-NE 3.31Å; A95-Y174 HydrophobicContact CB-CD1 4.35Å; A95-Y174 HydrophobicContact CB-CE1 4.19Å; A95-Y174 HydrophobicContact CB-CE2 4.42Å
96S81.5Confident67.7Low11 Ų1189.7 Ų89.78%0.07745%0.45CS..  trans-82.2148.8178.7-177.20000113D94 T98 A152 S175D94-S96 PolarHBondContact O-N 2.96Å; S96-T98 WeakPolarHBondContact CB-O 3.23Å; S96-T98 PolarHBondContact O-N 2.92Å; S96-T98 PolarHBondContact OG-N 3.43Å; S96-T98 PolarHBondContact OG-O 3.36Å; S96-A152 WeakPolarHBondContact O-CB 3.46Å; S96-S175 WeakPolarHBondContact CB-O 3.4Å; S96-S175 PolarHBondContact OG-O 3.15Å
97P87.1Confident69.7Low53 Ų5384.3 Ų84.334%0.34443%0.433SS..SBendtrans-69.3-13167.532.3-35.8000112.2F146 V149P97-F146 WeakPolarHBondContact O-CB 3.39Å; P97-F146 WeakPolarHBondContact O-CD2 3.09Å; P97-F146 PolarHBondContact O-N 3.17Å; P97-V149 HydrophobicContact CB-CG2 4.13Å; P97-V149 HydrophobicContact CG-CG2 4.37Å
98T89.4Confident71.9Confident30 Ų3075.6 Ų75.618%0.18440%0.395CS..EExtended strand (participates in β ladder)trans-97.9129.2171.9-550000109.9S96 F143 V144 D145 S175S96-T98 WeakPolarHBondContact CB-O 3.23Å; S96-T98 PolarHBondContact O-N 2.92Å; S96-T98 PolarHBondContact OG-N 3.43Å; S96-T98 PolarHBondContact OG-O 3.36Å; T98-F143 HydrophobicContact CG2-CB 3.97Å; T98-F143 HydrophobicContact CG2-CD1 3.83Å; T98-F143 HydrophobicContact CG2-CG 4.33Å; T98-V144 CarbonylContact C-O 3.57Å; T98-V144 WeakPolarHBondContact CA-O 3.32Å; T98-D145 VanDerWaalsContact CB-OD1 3.28Å; T98-D145 WeakPolarHBondContact CB-OD1 3.13Å; T98-D145 WeakPolarHBondContact CG2-OD1 3.46Å; T98-D145 PolarHBondContact OG1-OD1 3.13Å; T98-S175 VanDerWaalsContact O-CB 3.23Å; T98-S175 WeakPolarHBondContact O-CB 3.38Å; T98-S175 PolarHBondContact O-N 2.85Å
99I90.9Very high74.2Confident0 Ų068.1 Ų68.10%037%0.37CS..EExtended strand (participates in β ladder)trans-108.6126.4173.7-70.3173.2000109.9F143 V144 F146 A152 W155 M156 L172 M173 Y174I99-F143 CarbonylContact O-C 3.51Å; I99-F143 WeakPolarHBondContact O-CA 3.34Å; I99-V144 PolarHBondContact N-O 3.44Å; I99-V144 PolarHBondContact O-N 3.49Å; I99-F146 HydrophobicContact CB-CE2 4.2Å; I99-F146 HydrophobicContact CD1-CD2 4.27Å; I99-F146 HydrophobicContact CD1-CE2 3.88Å; I99-F146 HydrophobicContact CG1-CD2 4.48Å; I99-F146 HydrophobicContact CG1-CE2 4.26Å; I99-A152 HydrophobicContact CD1-CB 3.75Å; I99-A152 VanDerWaalsContact CD1-O 3.24Å; I99-A152 WeakPolarHBondContact CD1-O 3.34Å; I99-A152 HydrophobicContact CG1-CB 4.18Å; I99-W155 HydrophobicContact CB-CE3 4.48Å; I99-W155 HydrophobicContact CB-CZ3 4.21Å; I99-W155 HydrophobicContact CD1-CE3 3.78Å; I99-W155 HydrophobicContact CD1-CZ3 4.36Å; I99-W155 HydrophobicContact CG2-CE3 4.23Å; I99-W155 HydrophobicContact CG2-CZ3 3.74Å; I99-M156 HydrophobicContact CB-CE 4.31Å; I99-M156 HydrophobicContact CD1-CB 4.25Å; I99-M156 HydrophobicContact CD1-CE 3.69Å; I99-M156 HydrophobicContact CG1-CE 3.76Å; I99-M156 HydrophobicContact CG2-CE 3.61Å; I99-L172 HydrophobicContact CG2-CB 4.02Å; I99-L172 HydrophobicContact CG2-CD2 4.2Å; I99-M173 CarbonylContact C-O 3.58Å; I99-M173 WeakPolarHBondContact CG2-O 3.33Å; I99-Y174 HydrophobicContact CD1-CD1 4.5Å; I99-Y174 HydrophobicContact CD1-CE1 4.4Å; I99-Y174 HydrophobicContact CG1-CD1 4.16Å
100M91.2Very high76.7Confident25 Ų2564.1 Ų64.112%0.12335%0.347CS..EExtended strand (participates in β ladder)trans-81.1125.9175.2-172.8-173.6-63.800110.1R102 G142 F143 M173M100-R102 HydrophobicContact CG-CG 4.21Å; M100-R102 HydrophobicContact SD-CG 3.99Å; M100-R102 PolarHBondContact SD-NE 3.13Å; M100-G142 WeakPolarHBondContact CA-O 3.18Å; M100-F143 HydrophobicContact CB-CD1 4.21Å; M100-F143 HydrophobicContact CB-CE1 4.16Å; M100-F143 HydrophobicContact CE-CE1 3.71Å; M100-F143 HydrophobicContact CE-CZ 4.09Å; M100-F143 HydrophobicContact CG-CD1 4.34Å; M100-F143 HydrophobicContact CG-CE1 3.99Å; M100-M173 PolarHBondContact N-O 3.36Å; M100-M173 PolarHBondContact O-N 3.19Å
101L92.4Very high79Confident1 Ų166.1 Ų66.11%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-90.5125.8170.4-56.2-171.3000109.2I104 I113 F141 G142 V144 W155 I170 L172L101-I104 HydrophobicContact CB-CD1 3.91Å; L101-I104 HydrophobicContact CB-CG1 4.28Å; L101-I104 HydrophobicContact CD1-CD1 4.33Å; L101-I113 HydrophobicContact CD1-CD1 4.12Å; L101-I113 HydrophobicContact CD1-CG2 3.63Å; L101-F141 CarbonylContact O-C 3.58Å; L101-F141 WeakPolarHBondContact O-CA 3.5Å; L101-F141 WeakPolarHBondContact O-CB 3.46Å; L101-G142 PolarHBondContact N-O 2.83Å; L101-G142 PolarHBondContact O-N 2.65Å; L101-V144 HydrophobicContact CD1-CG2 3.76Å; L101-V144 HydrophobicContact CD2-CG2 3.98Å; L101-V144 HydrophobicContact CG-CG2 3.94Å; L101-W155 HydrophobicContact CD2-CH2 3.92Å; L101-W155 HydrophobicContact CD2-CZ3 4.26Å; L101-I170 HydrophobicContact CB-CG2 3.74Å; L101-I170 HydrophobicContact CD2-CG2 4.21Å; L101-I170 HydrophobicContact CG-CG2 4.41Å; L101-L172 HydrophobicContact CD2-CD2 3.31Å
102R90.5Very high81.3Confident133 Ų13359.2 Ų59.250%0.50231%0.313SS..EExtended strand (participates in β ladder)trans-125.5146.7173.7-73.5-167.5176.4-140.84112.1M100 F141 I170 R171M100-R102 HydrophobicContact CG-CG 4.21Å; M100-R102 HydrophobicContact SD-CG 3.99Å; M100-R102 PolarHBondContact SD-NE 3.13Å; R102-F141 HydrophobicContact CG-CB 4.28Å; R102-I170 CarbonylContact O-C 3.56Å; R102-I170 WeakPolarHBondContact O-CA 3.33Å; R102-R171 PolarHBondContact N-O 2.99Å; R102-R171 PolarHBondContact O-N 2.93Å
103G87.1Confident83.5Confident51 Ų5151.3 Ų51.353%0.52628%0.279SS..  trans91.515.1-178.300000113.9P105 G140G103-P105 VanDerWaalsContact O-CD 3.25Å; G103-P105 WeakPolarHBondContact O-CD 2.92Å; G103-G140 PolarHBondContact N-O 2.84Å
104I89.4Confident85.4Confident4 Ų449 Ų492%0.02126%0.259CS..  trans-64.4117.2176.2-54175.1000108.9L101 L108 I113 V129 G140 I170L101-I104 HydrophobicContact CB-CD1 3.91Å; L101-I104 HydrophobicContact CB-CG1 4.28Å; L101-I104 HydrophobicContact CD1-CD1 4.33Å; I104-L108 HydrophobicContact CG2-CB 3.87Å; I104-I113 HydrophobicContact CD1-CD1 3.6Å; I104-I113 HydrophobicContact CG1-CD1 3.95Å; I104-I113 HydrophobicContact CG2-CD1 3.87Å; I104-V129 HydrophobicContact CD1-CG1 4.27Å; I104-V129 HydrophobicContact CD1-CG2 4.19Å; I104-G140 PolarHBondContact N-O 3.36Å; I104-G140 VanDerWaalsContact N-O 3.09Å; I104-G140 VanDerWaalsContact O-CA 3.31Å; I104-G140 WeakPolarHBondContact O-CA 3.43Å; I104-I170 HydrophobicContact CG1-CD1 4.13Å; I104-I170 HydrophobicContact CG1-CG1 4.32Å; I104-I170 HydrophobicContact CG1-CG2 4.35Å
105P84.7Confident86.9Confident25 Ų2547.7 Ų47.716%0.16225%0.252CS..  trans-61.5156176.2-2031.8000112.1G103 S107 L108 Y168G103-P105 VanDerWaalsContact O-CD 3.25Å; G103-P105 WeakPolarHBondContact O-CD 2.92Å; P105-S107 PolarHBondContact O-N 3.05Å; P105-S107 VanDerWaalsContact O-N 3.09Å; P105-L108 HydrophobicContact CG-CD1 4.33Å; P105-L108 HydrophobicContact CG-CG 4.2Å; P105-L108 PolarHBondContact O-N 3.41Å; P105-Y168 HydrophobicContact CB-CD1 4.45Å; P105-Y168 HydrophobicContact CB-CE1 4.26Å; P105-Y168 HydrophobicContact CG-CD1 3.4Å; P105-Y168 HydrophobicContact CG-CD2 3.79Å; P105-Y168 HydrophobicContact CG-CE1 3.67Å; P105-Y168 HydrophobicContact CG-CE2 4.04Å; P105-Y168 HydrophobicContact CG-CG 3.45Å; P105-Y168 VanDerWaalsContact CG-CG 3.45Å
106T83.2Confident87.8Confident101 Ų10147.8 Ų47.862%0.6225%0.252SS*.THydrogen-bonded Turntrans-62.6-15.817450.60000113.8I137T106-I137 HydrophobicContact CG2-CG2 3.51Å
107S82.3Confident88.2Confident71 Ų7147.2 Ų47.250%0.49725%0.249SC..THydrogen-bonded Turntrans-94.31.6175.167.40000114.7P105P105-S107 PolarHBondContact O-N 3.05Å; P105-S107 VanDerWaalsContact O-N 3.09Å
108L83.6Confident88.3Confident3 Ų348.6 Ų48.62%0.01625%0.253CS..  trans-106.1132.3170.8-68.9-167.9000110.3I104 P105 D112 S138 V165 Y168 I170I104-L108 HydrophobicContact CG2-CB 3.87Å; P105-L108 HydrophobicContact CG-CD1 4.33Å; P105-L108 HydrophobicContact CG-CG 4.2Å; P105-L108 PolarHBondContact O-N 3.41Å; L108-D112 WeakPolarHBondContact CA-OD2 3.33Å; L108-D112 HydrophobicContact CD2-CB 4.04Å; L108-S138 PolarHBondContact O-OG 3.01Å; L108-V165 HydrophobicContact CD1-CB 4Å; L108-V165 HydrophobicContact CD1-CG1 3.73Å; L108-Y168 HydrophobicContact CD1-CD2 4.06Å; L108-Y168 HydrophobicContact CD2-CD2 4.3Å; L108-Y168 HydrophobicContact CG-CD2 4.16Å; L108-I170 HydrophobicContact CD1-CD1 4.27Å
109D83Confident88.2Confident48 Ų4853.7 Ų53.726%0.25728%0.279SS..  trans-107.2171-179.4-118.870.7000112.4R111 D112 I113 K131D109-R111 PolarHBondContact O-N 3.46Å; D109-R111 VanDerWaalsContact O-N 3.16Å; D109-D112 PolarHBondContact N-OD2 2.85Å; D109-D112 PolarHBondContact O-N 3.24Å; D109-I113 PolarHBondContact O-N 2.61Å; D109-K131 WeakPolarHBondContact OD1-CE 3.36Å; D109-K131 IonicContact OD1-NZ 2.75Å; D109-K131 PolarHBondContact OD1-NZ 3.19Å; D109-K131 IonicContact OD2-NZ 2.7Å; D109-K131 PolarHBondContact OD2-NZ 3.24Å
110H87.9Confident87.8Confident66 Ų6655.9 Ų55.931%0.30630%0.297SS..Hα-helixtrans-60.7-22177.270.7-73.5000113.9R114 V129H110-R114 WeakPolarHBondContact O-CB 3.2Å; H110-R114 PolarHBondContact O-N 3.47Å; H110-V129 HydrophobicContact CB-CB 4.3Å; H110-V129 HydrophobicContact CB-CG2 3.97Å
111R88.2Confident87.5Confident168 Ų16865.9 Ų65.963%0.63433%0.334SS*.Hα-helixtrans-73.3-55.6173.5-63.1-175.7-177.2177.1-1.7110.7D109 I113 R114 D115D109-R111 PolarHBondContact O-N 3.46Å; D109-R111 VanDerWaalsContact O-N 3.16Å; R111-I113 PolarHBondContact O-N 2.98Å; R111-R114 CarbonylContact O-C 3.52Å; R111-R114 WeakPolarHBondContact O-CA 3.35Å; R111-R114 WeakPolarHBondContact O-CB 3.29Å; R111-R114 PolarHBondContact O-N 3.02Å; R111-D115 PolarHBondContact O-N 3.04Å
112D89.4Confident87.2Confident25 Ų2566.9 Ų66.913%0.13434%0.34CS..Hα-helixtrans-54.1-31.8-178.4-47.1-47.4000113.9L108 D109 A116 V165 R166L108-D112 WeakPolarHBondContact CA-OD2 3.33Å; L108-D112 HydrophobicContact CD2-CB 4.04Å; D109-D112 PolarHBondContact N-OD2 2.85Å; D109-D112 PolarHBondContact O-N 3.24Å; D112-A116 WeakPolarHBondContact O-CB 3.29Å; D112-A116 PolarHBondContact O-N 3.4Å; D112-V165 WeakPolarHBondContact O-CG1 3.28Å; D112-R166 IonicContact OD1-CZ 2.69Å; D112-R166 IonicContact OD1-NH1 3.79Å; D112-R166 PolarHBondContact OD1-NH1 3.41Å; D112-R166 IonicContact OD1-NH2 2.65Å; D112-R166 PolarHBondContact OD1-NH2 3.15Å; D112-R166 IonicContact OD2-NH1 3.15Å; D112-R166 PolarHBondContact OD2-NH1 3.09Å
113I90.2Very high87Confident0 Ų064 Ų640%034%0.34CS..Hα-helixtrans-79.7-34.9175.8-65.3179.9000111.8L101 I104 D109 R111 L117 V127 V129 F163 V165 I170L101-I113 HydrophobicContact CD1-CD1 4.12Å; L101-I113 HydrophobicContact CD1-CG2 3.63Å; I104-I113 HydrophobicContact CD1-CD1 3.6Å; I104-I113 HydrophobicContact CG1-CD1 3.95Å; I104-I113 HydrophobicContact CG2-CD1 3.87Å; D109-I113 PolarHBondContact O-N 2.61Å; R111-I113 PolarHBondContact O-N 2.98Å; I113-L117 HydrophobicContact CG2-CD1 4.17Å; I113-L117 WeakPolarHBondContact O-CD1 3.22Å; I113-L117 VanDerWaalsContact O-CG 3.24Å; I113-L117 WeakPolarHBondContact O-CG 3.36Å; I113-L117 PolarHBondContact O-N 2.92Å; I113-L117 VanDerWaalsContact O-N 3.1Å; I113-V127 HydrophobicContact CB-CG1 4.37Å; I113-V127 HydrophobicContact CG2-CG1 3.78Å; I113-V129 HydrophobicContact CD1-CG2 3.8Å; I113-F163 HydrophobicContact CG2-CE1 4.42Å; I113-V165 HydrophobicContact CG1-CG1 4.48Å; I113-I170 HydrophobicContact CD1-CD1 4.08Å; I113-I170 HydrophobicContact CG1-CD1 4.3Å
114R91.2Very high87.1Confident97 Ų9764.1 Ų64.137%0.36633%0.325SS..Hα-helixtrans-67.3-51.3173.5-173.9179.3-66.4174.5-3.3110.8H110 R111 A116 L117 D118 Y124H110-R114 WeakPolarHBondContact O-CB 3.2Å; H110-R114 PolarHBondContact O-N 3.47Å; R111-R114 CarbonylContact O-C 3.52Å; R111-R114 WeakPolarHBondContact O-CA 3.35Å; R111-R114 WeakPolarHBondContact O-CB 3.29Å; R111-R114 PolarHBondContact O-N 3.02Å; R114-A116 PolarHBondContact O-N 2.94Å; R114-L117 WeakPolarHBondContact O-CA 3.26Å; R114-L117 WeakPolarHBondContact O-CB 3.1Å; R114-L117 PolarHBondContact O-N 3.34Å; R114-D118 PolarHBondContact O-N 2.83Å; R114-Y124 HydrophobicContact CG-CE2 4.42Å; R114-Y124 WeakPolarHBondContact CG-OH 3.47Å
115D90.2Very high87.2Confident76 Ų7669.9 Ų69.941%0.40636%0.355SS..Hα-helixtrans-52.2-44.6177.6-48.8-22.8000110R111 L117 D118 D119R111-D115 PolarHBondContact O-N 3.04Å; D115-L117 PolarHBondContact O-N 3.49Å; D115-D118 PolarHBondContact O-N 3.26Å; D115-D119 WeakPolarHBondContact O-CB 3.4Å; D115-D119 PolarHBondContact O-N 3.47Å
116A89.8Confident87.4Confident15 Ų1570.8 Ų70.812%0.12436%0.359CS..Hα-helixtrans-71.8-23.6176.700000115.2D112 R114 A120 F163 V165D112-A116 WeakPolarHBondContact O-CB 3.29Å; D112-A116 PolarHBondContact O-N 3.4Å; R114-A116 PolarHBondContact O-N 2.94Å; A116-A120 WeakPolarHBondContact O-CB 3.38Å; A116-A120 PolarHBondContact O-N 2.83Å; A116-F163 HydrophobicContact CB-CE1 4.46Å; A116-F163 HydrophobicContact CB-CZ 3.92Å; A116-V165 HydrophobicContact CB-CB 4.36Å; A116-V165 HydrophobicContact CB-CG1 3.96Å; A116-V165 HydrophobicContact CB-CG2 3.87Å
117L89.8Confident87.7Confident0 Ų066.3 Ų66.30%033%0.331CS..Hα-helixtrans-78-36.5172.2-76.3164.3000111.1I113 R114 D115 A120 R121 V122 Y124 V127 V144 W155 F163I113-L117 HydrophobicContact CG2-CD1 4.17Å; I113-L117 WeakPolarHBondContact O-CD1 3.22Å; I113-L117 VanDerWaalsContact O-CG 3.24Å; I113-L117 WeakPolarHBondContact O-CG 3.36Å; I113-L117 PolarHBondContact O-N 2.92Å; I113-L117 VanDerWaalsContact O-N 3.1Å; R114-L117 WeakPolarHBondContact O-CA 3.26Å; R114-L117 WeakPolarHBondContact O-CB 3.1Å; R114-L117 PolarHBondContact O-N 3.34Å; D115-L117 PolarHBondContact O-N 3.49Å; L117-A120 CarbonylContact O-C 3.58Å; L117-A120 PolarHBondContact O-N 2.69Å; L117-R121 PolarHBondContact O-N 3.1Å; L117-R121 VanDerWaalsContact O-N 3.1Å; L117-V122 HydrophobicContact CD2-CB 4Å; L117-V122 HydrophobicContact CD2-CG1 4.05Å; L117-V122 HydrophobicContact CD2-CG2 4.11Å; L117-V122 PolarHBondContact O-N 3.43Å; L117-Y124 HydrophobicContact CB-CD1 3.88Å; L117-Y124 HydrophobicContact CB-CE1 3.7Å; L117-Y124 HydrophobicContact CD1-CD1 4.12Å; L117-Y124 HydrophobicContact CD1-CE1 4.41Å; L117-Y124 HydrophobicContact CG-CD1 4.48Å; L117-V127 HydrophobicContact CD1-CG1 4.28Å; L117-V127 HydrophobicContact CD1-CG2 3.57Å; L117-V144 HydrophobicContact CD1-CG1 4.24Å; L117-V144 HydrophobicContact CD1-CG2 4.01Å; L117-W155 HydrophobicContact CD2-CH2 3.98Å; L117-W155 HydrophobicContact CD2-CZ2 3.45Å; L117-W155 VanDerWaalsContact CD2-CZ2 3.45Å; L117-F163 HydrophobicContact CD2-CE1 4.01Å; L117-F163 HydrophobicContact CD2-CE2 4.4Å; L117-F163 HydrophobicContact CD2-CZ 3.76Å; L117-F163 HydrophobicContact CG-CE1 4Å; L117-F163 HydrophobicContact CG-CZ 3.83Å
118D89.2Confident88.1Confident81 Ų8169.7 Ų69.743%0.43333%0.333SS..Hα-helixtrans-68-45.9175-63.3-25.2000110.5R114 D115 A120 R121 Y124R114-D118 PolarHBondContact O-N 2.83Å; D115-D118 PolarHBondContact O-N 3.26Å; D118-A120 VanDerWaalsContact C-N 3.28Å; D118-A120 PolarHBondContact O-N 2.88Å; D118-R121 WeakPolarHBondContact O-CA 3.37Å; D118-R121 PolarHBondContact O-N 3.38Å; D118-Y124 VanDerWaalsContact OD1-CE1 3.24Å; D118-Y124 WeakPolarHBondContact OD1-CE1 3.45Å; D118-Y124 PolarHBondContact OD1-OH 2.91Å; D118-Y124 PolarHBondContact OD2-OH 2.83Å
119D87.8Confident88.4Confident138 Ų13870.4 Ų70.474%0.73834%0.337SS*.Hα-helixtrans-55.2-42.7170.4-80-23.6000111.8D115 R121D115-D119 WeakPolarHBondContact O-CB 3.4Å; D115-D119 PolarHBondContact O-N 3.47Å; D119-R121 PolarHBondContact O-N 2.75Å
120A83.7Confident88.7Confident45 Ų4570.4 Ų70.437%0.37234%0.337SS..THydrogen-bonded Turntrans-77.10.6177.100000114A116 L117 D118 V122 F163A116-A120 WeakPolarHBondContact O-CB 3.38Å; A116-A120 PolarHBondContact O-N 2.83Å; L117-A120 CarbonylContact O-C 3.58Å; L117-A120 PolarHBondContact O-N 2.69Å; D118-A120 VanDerWaalsContact C-N 3.28Å; D118-A120 PolarHBondContact O-N 2.88Å; A120-V122 VanDerWaalsContact C-N 3.31Å; A120-V122 HydrophobicContact CB-CG2 3.74Å; A120-V122 PolarHBondContact O-N 3.08Å; A120-F163 HydrophobicContact CB-CE2 4.35Å
121R85Confident88.7Confident235 Ų23570.9 Ų70.989%0.88734%0.338SS*.THydrogen-bonded Turntrans55.340179.2-57.6-178.2176.9-126-2.6113.9L117 D118 D119L117-R121 PolarHBondContact O-N 3.1Å; L117-R121 VanDerWaalsContact O-N 3.1Å; D118-R121 WeakPolarHBondContact O-CA 3.37Å; D118-R121 PolarHBondContact O-N 3.38Å; D119-R121 PolarHBondContact O-N 2.75Å
122V85.3Confident88.4Confident22 Ų2264.6 Ų64.613%0.13332%0.317CS..  trans-91.8130-176-176.50000110.6L117 A120 Y124 F146 W155L117-V122 HydrophobicContact CD2-CB 4Å; L117-V122 HydrophobicContact CD2-CG1 4.05Å; L117-V122 HydrophobicContact CD2-CG2 4.11Å; L117-V122 PolarHBondContact O-N 3.43Å; A120-V122 VanDerWaalsContact C-N 3.31Å; A120-V122 HydrophobicContact CB-CG2 3.74Å; A120-V122 PolarHBondContact O-N 3.08Å; V122-Y124 VanDerWaalsContact O-CD1 3.25Å; V122-Y124 WeakPolarHBondContact O-CD1 3.32Å; V122-Y124 PolarHBondContact O-N 3.22Å; V122-F146 HydrophobicContact CG1-CE1 3.56Å; V122-F146 HydrophobicContact CG1-CZ 3.96Å; V122-W155 HydrophobicContact CG1-CD2 4.37Å; V122-W155 HydrophobicContact CG1-CG 4.02Å
123S86.7Confident88Confident72 Ų7273.5 Ų73.550%0.50335%0.354SS..  trans-81.6112.2173.355.30000111.2F146S123-F146 WeakPolarHBondContact O-CD1 3.14Å; S123-F146 WeakPolarHBondContact O-CE1 3.34Å
124Y89.6Confident87.6Confident55 Ų5579.6 Ų79.622%0.21639%0.392CS..  trans-131.6163177.261.9-93.5000111.5R114 L117 D118 V122 V127 V144 D145R114-Y124 HydrophobicContact CG-CE2 4.42Å; R114-Y124 WeakPolarHBondContact CG-OH 3.47Å; L117-Y124 HydrophobicContact CB-CD1 3.88Å; L117-Y124 HydrophobicContact CB-CE1 3.7Å; L117-Y124 HydrophobicContact CD1-CD1 4.12Å; L117-Y124 HydrophobicContact CD1-CE1 4.41Å; L117-Y124 HydrophobicContact CG-CD1 4.48Å; D118-Y124 VanDerWaalsContact OD1-CE1 3.24Å; D118-Y124 WeakPolarHBondContact OD1-CE1 3.45Å; D118-Y124 PolarHBondContact OD1-OH 2.91Å; D118-Y124 PolarHBondContact OD2-OH 2.83Å; V122-Y124 VanDerWaalsContact O-CD1 3.25Å; V122-Y124 WeakPolarHBondContact O-CD1 3.32Å; V122-Y124 PolarHBondContact O-N 3.22Å; Y124-V127 HydrophobicContact CD2-CG2 3.51Å; Y124-V127 HydrophobicContact CE2-CG2 3.71Å; Y124-V127 HydrophobicContact CG-CG2 4.01Å; Y124-V144 HydrophobicContact CG-CG1 4.43Å; Y124-D145 CarbonylContact C-O 3.6Å; Y124-D145 WeakPolarHBondContact CA-O 3.31Å
125L89.9Confident87.3Confident124 Ų12479.2 Ų79.265%0.64940%0.401SS*.SBendtrans-103.2-45.5179-66.3-178.6000113.3D145 A147L125-D145 HydrophobicContact CB-CB 4.31Å; L125-D145 PolarHBondContact N-O 3.01Å; L125-A147 HydrophobicContact CD1-CB 4.32Å; L125-A147 HydrophobicContact CD2-CB 4.25Å; L125-A147 HydrophobicContact CG-CB 4.28Å
126D88.6Confident86.9Confident45 Ų4577.6 Ų77.624%0.24140%0.401CS..EExtended strand (participates in β ladder)trans-143.9153.6174.1-171.825.4000110.7R128 V144 D145D126-R128 IonicContact OD2-CZ 2.76Å; D126-R128 VanDerWaalsContact OD2-CZ 3.24Å; D126-R128 IonicContact OD2-NE 3.67Å; D126-R128 PolarHBondContact OD2-NE 3.3Å; D126-R128 IonicContact OD2-NH2 2.7Å; D126-R128 PolarHBondContact OD2-NH2 2.83Å; D126-V144 WeakPolarHBondContact O-CA 3.07Å; D126-D145 PolarHBondContact O-N 3.26Å
127V91.1Very high86.5Confident6 Ų681.2 Ų81.24%0.03642%0.418CS..EExtended strand (participates in β ladder)trans-132.8108.5178.9179.30000108.4I113 L117 Y124 V144I113-V127 HydrophobicContact CB-CG1 4.37Å; I113-V127 HydrophobicContact CG2-CG1 3.78Å; L117-V127 HydrophobicContact CD1-CG1 4.28Å; L117-V127 HydrophobicContact CD1-CG2 3.57Å; Y124-V127 HydrophobicContact CD2-CG2 3.51Å; Y124-V127 HydrophobicContact CE2-CG2 3.71Å; Y124-V127 HydrophobicContact CG-CG2 4.01Å; V127-V144 HydrophobicContact CG2-CG1 4.41Å; V127-V144 HydrophobicContact CG2-CG2 4.47Å
128R89.3Confident86.3Confident142 Ų14281.5 Ų81.554%0.53642%0.42SS..EExtended strand (participates in β ladder)trans-125.694.1-165.7-166.6175.2-62179.13.6112.7D126 I130 G142 F143D126-R128 IonicContact OD2-CZ 2.76Å; D126-R128 VanDerWaalsContact OD2-CZ 3.24Å; D126-R128 IonicContact OD2-NE 3.67Å; D126-R128 PolarHBondContact OD2-NE 3.3Å; D126-R128 IonicContact OD2-NH2 2.7Å; D126-R128 PolarHBondContact OD2-NH2 2.83Å; R128-I130 HydrophobicContact CG-CD1 4.27Å; R128-G142 CarbonylContact O-C 3.59Å; R128-G142 WeakPolarHBondContact O-CA 3.47Å; R128-F143 PolarHBondContact N-O 2.83Å; R128-F143 PolarHBondContact O-N 3.43Å
129V91.3Very high86.2Confident18 Ų1882.7 Ų82.711%0.10942%0.421CS..EExtended strand (participates in β ladder)trans-75.4127.3171-178.20000110I104 H110 I113 K131I104-V129 HydrophobicContact CD1-CG1 4.27Å; I104-V129 HydrophobicContact CD1-CG2 4.19Å; H110-V129 HydrophobicContact CB-CB 4.3Å; H110-V129 HydrophobicContact CB-CG2 3.97Å; I113-V129 HydrophobicContact CD1-CG2 3.8Å; V129-K131 PolarHBondContact O-N 3.27Å
130I89.3Confident86.2Confident48 Ų4877.3 Ų77.325%0.24640%0.398CS..EExtended strand (participates in β ladder)trans-84.4108.5-179.5-56.2-54.8000109.7R128 K139 F141 F143R128-I130 HydrophobicContact CG-CD1 4.27Å; I130-K139 HydrophobicContact CG2-CD 4.01Å; I130-K139 HydrophobicContact CG2-CG 4.41Å; I130-K139 WeakPolarHBondContact O-CB 3.17Å; I130-K139 PolarHBondContact O-N 2.79Å; I130-F141 HydrophobicContact CB-CD2 4.28Å; I130-F141 HydrophobicContact CB-CE2 3.93Å; I130-F141 HydrophobicContact CB-CZ 4.08Å; I130-F141 HydrophobicContact CG1-CD2 3.95Å; I130-F141 HydrophobicContact CG1-CE2 3.6Å; I130-F141 HydrophobicContact CG1-CZ 4.21Å; I130-F141 HydrophobicContact CG2-CE2 4.24Å; I130-F141 HydrophobicContact CG2-CZ 3.97Å; I130-F141 PolarHBondContact N-O 2.99Å; I130-F143 HydrophobicContact CD1-CD2 4.12Å; I130-F143 HydrophobicContact CD1-CE2 4.05Å; I130-F143 HydrophobicContact CG1-CD2 4.1Å; I130-F143 HydrophobicContact CG1-CE2 3.8Å
131K88Confident86.6Confident76 Ų7678.4 Ų78.433%0.3340%0.395SS..EExtended strand (participates in β ladder)trans-95155.1172.7-67.7-176.1160.3-164.50112.1D109 V129 G136 I137 S138D109-K131 WeakPolarHBondContact OD1-CE 3.36Å; D109-K131 IonicContact OD1-NZ 2.75Å; D109-K131 PolarHBondContact OD1-NZ 3.19Å; D109-K131 IonicContact OD2-NZ 2.7Å; D109-K131 PolarHBondContact OD2-NZ 3.24Å; V129-K131 PolarHBondContact O-N 3.27Å; K131-G136 WeakPolarHBondContact CD-O 3.34Å; K131-I137 CarbonylContact C-O 3.38Å; K131-I137 WeakPolarHBondContact CA-O 3.18Å; K131-S138 WeakPolarHBondContact CE-OG 3.37Å
132D81.9Confident86.9Confident37 Ų3767.2 Ų67.220%0.19835%0.352CS..  trans-75.3133.9171.7-177.460.3000112.1T134 T135 G136 I137 K139D132-T134 VanDerWaalsContact C-N 3.28Å; D132-T134 PolarHBondContact O-N 2.84Å; D132-T134 PolarHBondContact OD2-N 3.2Å; D132-T134 PolarHBondContact OD2-OG1 2.91Å; D132-T135 WeakPolarHBondContact CB-OG1 3.28Å; D132-T135 PolarHBondContact OD2-N 3.42Å; D132-T135 PolarHBondContact OD2-OG1 3.36Å; D132-G136 VanDerWaalsContact O-CA 3.3Å; D132-G136 WeakPolarHBondContact O-CA 3.4Å; D132-G136 PolarHBondContact O-N 2.99Å; D132-I137 PolarHBondContact N-O 2.89Å; D132-K139 HydrophobicContact CB-CG 4.3Å; D132-K139 IonicContact OD1-NZ 3.9Å; D132-K139 PolarHBondContact OD1-NZ 2.97Å
133K81.3Confident87.3Confident211 Ų21168.3 Ų68.392%0.91736%0.356SS*.THydrogen-bonded Turntrans-76.7-15.5-167.8-62.3-164.6175.6-163.90114
134T81.4Confident87.6Confident129 Ų12964.9 Ų64.979%0.79133%0.332SS*.THydrogen-bonded Turntrans-103.1-36.7179.631.30000112.7D132D132-T134 VanDerWaalsContact C-N 3.28Å; D132-T134 PolarHBondContact O-N 2.84Å; D132-T134 PolarHBondContact OD2-N 3.2Å; D132-T134 PolarHBondContact OD2-OG1 2.91Å
135T84Confident87.7Confident89 Ų8964.3 Ų64.355%0.54633%0.332SS..THydrogen-bonded Turntrans-104.9-15.7-175.558.60000114.3D132 I137D132-T135 WeakPolarHBondContact CB-OG1 3.28Å; D132-T135 PolarHBondContact OD2-N 3.42Å; D132-T135 PolarHBondContact OD2-OG1 3.36Å; T135-I137 PolarHBondContact O-N 3.4Å
136G81.8Confident87.8Confident41 Ų4158.8 Ų58.842%0.42330%0.303SS..  trans75.3-4.5-175.800000115.1K131 D132K131-G136 WeakPolarHBondContact CD-O 3.34Å; D132-G136 VanDerWaalsContact O-CA 3.3Å; D132-G136 WeakPolarHBondContact O-CA 3.4Å; D132-G136 PolarHBondContact O-N 2.99Å
137I81.5Confident87.8Confident91 Ų9159.8 Ų59.847%0.46732%0.317SS..  trans-75.5135.5-174.6-59.1172.1000110.7T106 K131 D132 T135 K139T106-I137 HydrophobicContact CG2-CG2 3.51Å; K131-I137 CarbonylContact C-O 3.38Å; K131-I137 WeakPolarHBondContact CA-O 3.18Å; D132-I137 PolarHBondContact N-O 2.89Å; T135-I137 PolarHBondContact O-N 3.4Å; I137-K139 PolarHBondContact O-N 3.33Å
138S86.6Confident87.5Confident6 Ų661.2 Ų61.24%0.04233%0.328CS..EExtended strand (participates in β ladder)trans-61.3128.3174.6-60.30000111.5L108 K131 G140L108-S138 PolarHBondContact O-OG 3.01Å; K131-S138 WeakPolarHBondContact CE-OG 3.37Å; S138-G140 PolarHBondContact O-N 2.89Å; S138-G140 VanDerWaalsContact O-N 3.14Å
139K85.8Confident87.5Confident106 Ų10656.8 Ų56.846%0.46132%0.316SS..EExtended strand (participates in β ladder)trans-78.913.9-174.9-65-166.8-175.8-90.60114.9I130 D132 I137 F141I130-K139 HydrophobicContact CG2-CD 4.01Å; I130-K139 HydrophobicContact CG2-CG 4.41Å; I130-K139 WeakPolarHBondContact O-CB 3.17Å; I130-K139 PolarHBondContact O-N 2.79Å; D132-K139 HydrophobicContact CB-CG 4.3Å; D132-K139 IonicContact OD1-NZ 3.9Å; D132-K139 PolarHBondContact OD1-NZ 2.97Å; I137-K139 PolarHBondContact O-N 3.33Å; K139-F141 HydrophobicContact CB-CD1 4.05Å; K139-F141 HydrophobicContact CB-CE1 3.75Å; K139-F141 HydrophobicContact CD-CE1 4.44Å; K139-F141 WeakPolarHBondContact O-CD1 3.35Å
140G88.1Confident87.3Confident25 Ų2562.5 Ų62.526%0.25834%0.341SS..EExtended strand (participates in β ladder)trans86.4-2-177.600000115.9G103 I104 S138G103-G140 PolarHBondContact N-O 2.84Å; I104-G140 PolarHBondContact N-O 3.36Å; I104-G140 VanDerWaalsContact N-O 3.09Å; I104-G140 VanDerWaalsContact O-CA 3.31Å; I104-G140 WeakPolarHBondContact O-CA 3.43Å; S138-G140 PolarHBondContact O-N 2.89Å; S138-G140 VanDerWaalsContact O-N 3.14Å
141F91.6Very high87.3Confident68 Ų6863 Ų6330%0.29834%0.343SS..EExtended strand (participates in β ladder)trans-150.5161.8-17671.3-84.2000114.2L101 R102 I130 K139 F143L101-F141 CarbonylContact O-C 3.58Å; L101-F141 WeakPolarHBondContact O-CA 3.5Å; L101-F141 WeakPolarHBondContact O-CB 3.46Å; R102-F141 HydrophobicContact CG-CB 4.28Å; I130-F141 HydrophobicContact CB-CD2 4.28Å; I130-F141 HydrophobicContact CB-CE2 3.93Å; I130-F141 HydrophobicContact CB-CZ 4.08Å; I130-F141 HydrophobicContact CG1-CD2 3.95Å; I130-F141 HydrophobicContact CG1-CE2 3.6Å; I130-F141 HydrophobicContact CG1-CZ 4.21Å; I130-F141 HydrophobicContact CG2-CE2 4.24Å; I130-F141 HydrophobicContact CG2-CZ 3.97Å; I130-F141 PolarHBondContact N-O 2.99Å; K139-F141 HydrophobicContact CB-CD1 4.05Å; K139-F141 HydrophobicContact CB-CE1 3.75Å; K139-F141 HydrophobicContact CD-CE1 4.44Å; K139-F141 WeakPolarHBondContact O-CD1 3.35Å; F141-F143 HydrophobicContact CD2-CE2 4.08Å; F141-F143 HydrophobicContact CD2-CZ 4.31Å; F141-F143 AromaticContact CE2-CE2 4Å; F141-F143 HydrophobicContact CE2-CE2 4Å; F141-F143 HydrophobicContact CE2-CZ 4.23Å
142G91.7Very high87.4Confident0 Ų059.3 Ų59.30%033%0.327CS..EExtended strand (participates in β ladder)trans-157.7-173179.500000111.8M100 L101 R128M100-G142 WeakPolarHBondContact CA-O 3.18Å; L101-G142 PolarHBondContact N-O 2.83Å; L101-G142 PolarHBondContact O-N 2.65Å; R128-G142 CarbonylContact O-C 3.59Å; R128-G142 WeakPolarHBondContact O-CA 3.47Å
143F93.5Very high87.7Confident46 Ų4661.6 Ų61.620%0.20233%0.333CS..EExtended strand (participates in β ladder)trans-138146.3-179.2-58.4-89.7000110.4T98 I99 M100 R128 I130 F141 S175T98-F143 HydrophobicContact CG2-CB 3.97Å; T98-F143 HydrophobicContact CG2-CD1 3.83Å; T98-F143 HydrophobicContact CG2-CG 4.33Å; I99-F143 CarbonylContact O-C 3.51Å; I99-F143 WeakPolarHBondContact O-CA 3.34Å; M100-F143 HydrophobicContact CB-CD1 4.21Å; M100-F143 HydrophobicContact CB-CE1 4.16Å; M100-F143 HydrophobicContact CE-CE1 3.71Å; M100-F143 HydrophobicContact CE-CZ 4.09Å; M100-F143 HydrophobicContact CG-CD1 4.34Å; M100-F143 HydrophobicContact CG-CE1 3.99Å; R128-F143 PolarHBondContact N-O 2.83Å; R128-F143 PolarHBondContact O-N 3.43Å; I130-F143 HydrophobicContact CD1-CD2 4.12Å; I130-F143 HydrophobicContact CD1-CE2 4.05Å; I130-F143 HydrophobicContact CG1-CD2 4.1Å; I130-F143 HydrophobicContact CG1-CE2 3.8Å; F141-F143 HydrophobicContact CD2-CE2 4.08Å; F141-F143 HydrophobicContact CD2-CZ 4.31Å; F141-F143 AromaticContact CE2-CE2 4Å; F141-F143 HydrophobicContact CE2-CE2 4Å; F141-F143 HydrophobicContact CE2-CZ 4.23Å; F143-S175 WeakPolarHBondContact CE1-OG 3.28Å
144V93.1Very high88.1Confident0 Ų060.8 Ų60.80%032%0.324CS..EExtended strand (participates in β ladder)trans-123.4122.6169.1-177.30000107.4T98 I99 L101 L117 Y124 D126 V127 F146T98-V144 CarbonylContact C-O 3.57Å; T98-V144 WeakPolarHBondContact CA-O 3.32Å; I99-V144 PolarHBondContact N-O 3.44Å; I99-V144 PolarHBondContact O-N 3.49Å; L101-V144 HydrophobicContact CD1-CG2 3.76Å; L101-V144 HydrophobicContact CD2-CG2 3.98Å; L101-V144 HydrophobicContact CG-CG2 3.94Å; L117-V144 HydrophobicContact CD1-CG1 4.24Å; L117-V144 HydrophobicContact CD1-CG2 4.01Å; Y124-V144 HydrophobicContact CG-CG1 4.43Å; D126-V144 WeakPolarHBondContact O-CA 3.07Å; V127-V144 HydrophobicContact CG2-CG1 4.41Å; V127-V144 HydrophobicContact CG2-CG2 4.47Å; V144-F146 HydrophobicContact CB-CE2 3.99Å; V144-F146 HydrophobicContact CG1-CD2 4.26Å; V144-F146 HydrophobicContact CG1-CE2 3.55Å; V144-F146 HydrophobicContact CG1-CZ 3.81Å
145D92Very high88.5Confident43 Ų4355.3 Ų55.323%0.2329%0.289CS..EExtended strand (participates in β ladder)trans-95132.3177.3-67.9-42.4000109.8T98 Y124 L125 D126T98-D145 VanDerWaalsContact CB-OD1 3.28Å; T98-D145 WeakPolarHBondContact CB-OD1 3.13Å; T98-D145 WeakPolarHBondContact CG2-OD1 3.46Å; T98-D145 PolarHBondContact OG1-OD1 3.13Å; Y124-D145 CarbonylContact C-O 3.6Å; Y124-D145 WeakPolarHBondContact CA-O 3.31Å; L125-D145 HydrophobicContact CB-CB 4.31Å; L125-D145 PolarHBondContact N-O 3.01Å; D126-D145 PolarHBondContact O-N 3.26Å
146F91.7Very high88.7Confident8 Ų852 Ų524%0.03527%0.267CS..  trans-106.6158.5177.9-71-94.5000111.5P97 I99 V122 S123 V144 S148 E151 A152 W155P97-F146 WeakPolarHBondContact O-CB 3.39Å; P97-F146 WeakPolarHBondContact O-CD2 3.09Å; P97-F146 PolarHBondContact O-N 3.17Å; I99-F146 HydrophobicContact CB-CE2 4.2Å; I99-F146 HydrophobicContact CD1-CD2 4.27Å; I99-F146 HydrophobicContact CD1-CE2 3.88Å; I99-F146 HydrophobicContact CG1-CD2 4.48Å; I99-F146 HydrophobicContact CG1-CE2 4.26Å; V122-F146 HydrophobicContact CG1-CE1 3.56Å; V122-F146 HydrophobicContact CG1-CZ 3.96Å; S123-F146 WeakPolarHBondContact O-CD1 3.14Å; S123-F146 WeakPolarHBondContact O-CE1 3.34Å; V144-F146 HydrophobicContact CB-CE2 3.99Å; V144-F146 HydrophobicContact CG1-CD2 4.26Å; V144-F146 HydrophobicContact CG1-CE2 3.55Å; V144-F146 HydrophobicContact CG1-CZ 3.81Å; F146-S148 PolarHBondContact O-N 3.06Å; F146-E151 HydrophobicContact CB-CB 4.13Å; F146-E151 HydrophobicContact CD1-CB 3.82Å; F146-E151 HydrophobicContact CG-CB 4.36Å; F146-A152 HydrophobicContact CB-CB 4.12Å; F146-A152 HydrophobicContact CD2-CB 3.94Å; F146-A152 HydrophobicContact CG-CB 4.02Å; F146-W155 HydrophobicContact CE1-CB 3.95Å; F146-W155 HydrophobicContact CE1-CD2 4.36Å; F146-W155 HydrophobicContact CE1-CE3 4.39Å; F146-W155 HydrophobicContact CE1-CG 4.18Å; F146-W155 HydrophobicContact CE2-CD2 4.42Å; F146-W155 AromaticContact CE2-CE3 3.67Å; F146-W155 HydrophobicContact CE2-CE3 3.67Å; F146-W155 HydrophobicContact CE2-CZ3 4.09Å; F146-W155 HydrophobicContact CZ-CB 3.96Å; F146-W155 AromaticContact CZ-CD2 3.61Å; F146-W155 HydrophobicContact CZ-CD2 3.61Å; F146-W155 AromaticContact CZ-CE3 3.3Å; F146-W155 HydrophobicContact CZ-CE3 3.3Å; F146-W155 AromaticContact CZ-CG 3.89Å; F146-W155 HydrophobicContact CZ-CG 3.89Å; F146-W155 AromaticContact CZ-CZ3 3.95Å; F146-W155 HydrophobicContact CZ-CZ3 3.95Å
147A88.2Confident88.9Confident65 Ų6555.2 Ų55.254%0.53728%0.275SS..SBendtrans-74-19.2179.200000112.6L125 E151L125-A147 HydrophobicContact CD1-CB 4.32Å; L125-A147 HydrophobicContact CD2-CB 4.25Å; L125-A147 HydrophobicContact CG-CB 4.28Å; A147-E151 WeakPolarHBondContact CB-OE2 3.36Å; A147-E151 PolarHBondContact N-OE2 2.84Å
148S85.9Confident89.1Confident36 Ų3658.1 Ų58.125%0.25229%0.286SS..SBendtrans-149.7159.2170.268.80000113.5F146 H150 E151 A152F146-S148 PolarHBondContact O-N 3.06Å; S148-H150 PolarHBondContact O-N 3.2Å; S148-H150 PolarHBondContact OG-N 3.36Å; S148-E151 PolarHBondContact O-N 3.26Å; S148-E151 VanDerWaalsContact O-N 3.16Å; S148-E151 PolarHBondContact OG-N 2.63Å; S148-A152 PolarHBondContact O-N 2.77Å; S148-A152 VanDerWaalsContact O-N 3.12Å
149V88.7Confident89Confident49 Ų4959.8 Ų59.830%0.29729%0.293SS..Hα-helixtrans-57-29.9169.2176.90000111.5A95 P97 A152 R153A95-V149 HydrophobicContact CB-CG1 4Å; A95-V149 VanDerWaalsContact O-CG1 3.26Å; A95-V149 WeakPolarHBondContact O-CG1 3.42Å; P97-V149 HydrophobicContact CB-CG2 4.13Å; P97-V149 HydrophobicContact CG-CG2 4.37Å; V149-A152 PolarHBondContact O-N 2.88Å; V149-R153 HydrophobicContact CG1-CG 4.21Å; V149-R153 WeakPolarHBondContact O-CB 3.3Å; V149-R153 WeakPolarHBondContact O-CG 3.46Å; V149-R153 PolarHBondContact O-N 2.91Å
150H87.6Confident88.9Confident138 Ų13863.6 Ų63.664%0.63931%0.31SS*.Hα-helixtrans-69.2-37178.2-59.1106.4000112.7S148 R154S148-H150 PolarHBondContact O-N 3.2Å; S148-H150 PolarHBondContact OG-N 3.36Å; H150-R154 WeakPolarHBondContact O-CB 3.41Å; H150-R154 VanDerWaalsContact O-CG 3.27Å; H150-R154 WeakPolarHBondContact O-CG 3.47Å; H150-R154 PolarHBondContact O-N 2.74Å
151E89.5Confident88.5Confident58 Ų5863.2 Ų63.227%0.27131%0.306SS..Hα-helixtrans-69.3-44.4172.6-71.1160.8-152.100111.1F146 A147 S148 R154 W155F146-E151 HydrophobicContact CB-CB 4.13Å; F146-E151 HydrophobicContact CD1-CB 3.82Å; F146-E151 HydrophobicContact CG-CB 4.36Å; A147-E151 WeakPolarHBondContact CB-OE2 3.36Å; A147-E151 PolarHBondContact N-OE2 2.84Å; S148-E151 PolarHBondContact O-N 3.26Å; S148-E151 VanDerWaalsContact O-N 3.16Å; S148-E151 PolarHBondContact OG-N 2.63Å; E151-R154 PolarHBondContact O-N 3.49Å; E151-W155 PolarHBondContact O-N 3.28Å
152A89.6Confident88.3Confident0 Ų063.8 Ų63.80%031%0.311CS..Hα-helixtrans-57.9-49.3175.300000111.7S96 I99 F146 S148 V149 W155 M156S96-A152 WeakPolarHBondContact O-CB 3.46Å; I99-A152 HydrophobicContact CD1-CB 3.75Å; I99-A152 VanDerWaalsContact CD1-O 3.24Å; I99-A152 WeakPolarHBondContact CD1-O 3.34Å; I99-A152 HydrophobicContact CG1-CB 4.18Å; F146-A152 HydrophobicContact CB-CB 4.12Å; F146-A152 HydrophobicContact CD2-CB 3.94Å; F146-A152 HydrophobicContact CG-CB 4.02Å; S148-A152 PolarHBondContact O-N 2.77Å; S148-A152 VanDerWaalsContact O-N 3.12Å; V149-A152 PolarHBondContact O-N 2.88Å; A152-W155 PolarHBondContact O-N 3.47Å; A152-M156 WeakPolarHBondContact O-CB 3.2Å; A152-M156 PolarHBondContact O-N 3.12Å
153R88.7Confident88.1Confident85 Ų8564 Ų6432%0.32131%0.312SS..Hα-helixtrans-56.7-54174.6-74.5-176-177.5-102.68.9110.9F92 A95 V149 W155 M156 D157 Y174F92-R153 PolarHBondContact O-NH2 2.58Å; A95-R153 HydrophobicContact CB-CG 4.13Å; A95-R153 VanDerWaalsContact CB-NE 3.31Å; V149-R153 HydrophobicContact CG1-CG 4.21Å; V149-R153 WeakPolarHBondContact O-CB 3.3Å; V149-R153 WeakPolarHBondContact O-CG 3.46Å; V149-R153 PolarHBondContact O-N 2.91Å; R153-W155 VanDerWaalsContact C-N 3.31Å; R153-W155 PolarHBondContact O-N 2.91Å; R153-M156 PolarHBondContact O-N 3.39Å; R153-M156 VanDerWaalsContact O-N 3.12Å; R153-D157 WeakPolarHBondContact O-CB 3.45Å; R153-D157 PolarHBondContact O-N 3.05Å; R153-Y174 WeakPolarHBondContact CA-OH 3.38Å; R153-Y174 HydrophobicContact CG-CE1 4.28Å; R153-Y174 WeakPolarHBondContact CG-OH 3.35Å
154R88.5Confident87.8Confident194 Ų19470.2 Ų70.273%0.73233%0.334SS*.Hα-helixtrans-54.2-42.3177.7-79.4177176.3-175.90.4113.5H150 E151 H158H150-R154 WeakPolarHBondContact O-CB 3.41Å; H150-R154 VanDerWaalsContact O-CG 3.27Å; H150-R154 WeakPolarHBondContact O-CG 3.47Å; H150-R154 PolarHBondContact O-N 2.74Å; E151-R154 PolarHBondContact O-N 3.49Å; R154-H158 VanDerWaalsContact O-CB 3.24Å; R154-H158 WeakPolarHBondContact O-CB 3.42Å; R154-H158 PolarHBondContact O-N 2.84Å
155W89.5Confident87.4Confident13 Ų1370.3 Ų70.35%0.04934%0.335CS..Hα-helixtrans-70.1-41.5179-173.861.1000112.1I99 L101 L117 V122 F146 E151 A152 R153 H158 Q159 F163 L172I99-W155 HydrophobicContact CB-CE3 4.48Å; I99-W155 HydrophobicContact CB-CZ3 4.21Å; I99-W155 HydrophobicContact CD1-CE3 3.78Å; I99-W155 HydrophobicContact CD1-CZ3 4.36Å; I99-W155 HydrophobicContact CG2-CE3 4.23Å; I99-W155 HydrophobicContact CG2-CZ3 3.74Å; L101-W155 HydrophobicContact CD2-CH2 3.92Å; L101-W155 HydrophobicContact CD2-CZ3 4.26Å; L117-W155 HydrophobicContact CD2-CH2 3.98Å; L117-W155 HydrophobicContact CD2-CZ2 3.45Å; L117-W155 VanDerWaalsContact CD2-CZ2 3.45Å; V122-W155 HydrophobicContact CG1-CD2 4.37Å; V122-W155 HydrophobicContact CG1-CG 4.02Å; F146-W155 HydrophobicContact CE1-CB 3.95Å; F146-W155 HydrophobicContact CE1-CD2 4.36Å; F146-W155 HydrophobicContact CE1-CE3 4.39Å; F146-W155 HydrophobicContact CE1-CG 4.18Å; F146-W155 HydrophobicContact CE2-CD2 4.42Å; F146-W155 AromaticContact CE2-CE3 3.67Å; F146-W155 HydrophobicContact CE2-CE3 3.67Å; F146-W155 HydrophobicContact CE2-CZ3 4.09Å; F146-W155 HydrophobicContact CZ-CB 3.96Å; F146-W155 AromaticContact CZ-CD2 3.61Å; F146-W155 HydrophobicContact CZ-CD2 3.61Å; F146-W155 AromaticContact CZ-CE3 3.3Å; F146-W155 HydrophobicContact CZ-CE3 3.3Å; F146-W155 AromaticContact CZ-CG 3.89Å; F146-W155 HydrophobicContact CZ-CG 3.89Å; F146-W155 AromaticContact CZ-CZ3 3.95Å; F146-W155 HydrophobicContact CZ-CZ3 3.95Å; E151-W155 PolarHBondContact O-N 3.28Å; A152-W155 PolarHBondContact O-N 3.47Å; R153-W155 VanDerWaalsContact C-N 3.31Å; R153-W155 PolarHBondContact O-N 2.91Å; W155-H158 PolarHBondContact O-N 2.96Å; W155-Q159 HydrophobicContact CD2-CG 4.41Å; W155-Q159 HydrophobicContact CG-CG 4.43Å; W155-Q159 HydrophobicContact CZ2-CG 4.4Å; W155-Q159 WeakPolarHBondContact O-CB 3.48Å; W155-Q159 WeakPolarHBondContact O-CG 3.3Å; W155-Q159 PolarHBondContact O-N 2.96Å; W155-F163 HydrophobicContact CH2-CB 4.43Å; W155-F163 HydrophobicContact CH2-CD1 4.15Å; W155-F163 HydrophobicContact CH2-CG 4.23Å; W155-F163 HydrophobicContact CZ2-CB 4.17Å; W155-F163 AromaticContact CZ2-CD1 3.91Å; W155-F163 HydrophobicContact CZ2-CD1 3.91Å; W155-F163 AromaticContact CZ2-CD2 3.81Å; W155-F163 HydrophobicContact CZ2-CD2 3.81Å; W155-F163 HydrophobicContact CZ2-CE1 4.18Å; W155-F163 HydrophobicContact CZ2-CE2 4.1Å; W155-F163 AromaticContact CZ2-CG 3.72Å; W155-F163 HydrophobicContact CZ2-CG 3.72Å; W155-F163 HydrophobicContact CZ2-CZ 4.27Å; W155-L172 HydrophobicContact CD2-CD1 4.21Å; W155-L172 HydrophobicContact CE3-CD1 3.88Å; W155-L172 HydrophobicContact CH2-CD1 3.83Å; W155-L172 HydrophobicContact CH2-CD2 3.42Å; W155-L172 VanDerWaalsContact CH2-CD2 3.42Å; W155-L172 HydrophobicContact CH2-CG 4.28Å; W155-L172 HydrophobicContact CZ2-CD1 4.11Å; W155-L172 HydrophobicContact CZ2-CD2 4.26Å; W155-L172 HydrophobicContact CZ3-CD1 3.72Å; W155-L172 HydrophobicContact CZ3-CD2 3.61Å; W155-L172 HydrophobicContact CZ3-CG 4.27Å
156M88.7Confident87Confident21 Ų2176.5 Ų76.510%0.10336%0.355CS..Hα-helixtrans-63-42.9176.7-170153.4-6600112.3I99 A152 R153 K160 G161 L172 Y174I99-M156 HydrophobicContact CB-CE 4.31Å; I99-M156 HydrophobicContact CD1-CB 4.25Å; I99-M156 HydrophobicContact CD1-CE 3.69Å; I99-M156 HydrophobicContact CG1-CE 3.76Å; I99-M156 HydrophobicContact CG2-CE 3.61Å; A152-M156 WeakPolarHBondContact O-CB 3.2Å; A152-M156 PolarHBondContact O-N 3.12Å; R153-M156 PolarHBondContact O-N 3.39Å; R153-M156 VanDerWaalsContact O-N 3.12Å; M156-K160 WeakPolarHBondContact O-CA 3.4Å; M156-K160 PolarHBondContact O-N 3.39Å; M156-G161 PolarHBondContact O-N 2.84Å; M156-L172 HydrophobicContact CE-CB 3.84Å; M156-Y174 HydrophobicContact CB-CE1 4.34Å; M156-Y174 HydrophobicContact CE-CD1 4.11Å; M156-Y174 HydrophobicContact CE-CD2 4.46Å; M156-Y174 HydrophobicContact CE-CE1 4.19Å; M156-Y174 HydrophobicContact CE-CG 4.23Å; M156-Y174 HydrophobicContact SD-CD1 4.15Å; M156-Y174 HydrophobicContact SD-CD2 3.69Å; M156-Y174 HydrophobicContact SD-CE1 3.88Å; M156-Y174 HydrophobicContact SD-CE2 3.39Å; M156-Y174 WeakPolarHBondContact SD-CE2 3.32Å; M156-Y174 HydrophobicContact SD-CG 4.04Å
157D86.5Confident86.6Confident107 Ų10785.8 Ų85.857%0.57239%0.39SS*.Hα-helixtrans-65.3-44.7178.1-62.6-26.5000111R153 K160R153-D157 WeakPolarHBondContact O-CB 3.45Å; R153-D157 PolarHBondContact O-N 3.05Å; D157-K160 WeakPolarHBondContact O-CG 3.47Å; D157-K160 PolarHBondContact O-N 3.1Å
158H85.8Confident86.5Confident152 Ų15285.8 Ų85.870%0.70438%0.376SS*.Hα-helixtrans-65-42.9179.2-173.492.3000112.5R154 W155 K160R154-H158 VanDerWaalsContact O-CB 3.24Å; R154-H158 WeakPolarHBondContact O-CB 3.42Å; R154-H158 PolarHBondContact O-N 2.84Å; W155-H158 PolarHBondContact O-N 2.96Å; H158-K160 VanDerWaalsContact C-N 3.28Å; H158-K160 PolarHBondContact O-N 3.1Å
159Q85.3Confident86.7Confident42 Ų4289 Ų8920%0.19639%0.387CS..THydrogen-bonded Turntrans-81.1-4.2176.6-63.5-65.6-38.100113.1W155 G161 I162 F163 L172W155-Q159 HydrophobicContact CD2-CG 4.41Å; W155-Q159 HydrophobicContact CG-CG 4.43Å; W155-Q159 HydrophobicContact CZ2-CG 4.4Å; W155-Q159 WeakPolarHBondContact O-CB 3.48Å; W155-Q159 WeakPolarHBondContact O-CG 3.3Å; W155-Q159 PolarHBondContact O-N 2.96Å; Q159-G161 PolarHBondContact O-N 2.97Å; Q159-G161 VanDerWaalsContact O-N 3.08Å; Q159-I162 CarbonylContact O-C 3.49Å; Q159-I162 PolarHBondContact O-N 3.27Å; Q159-I162 PolarHBondContact OE1-O 2.91Å; Q159-F163 HydrophobicContact CG-CD2 4.45Å; Q159-L172 HydrophobicContact CB-CD1 3.64Å; Q159-L172 HydrophobicContact CG-CD1 4.1Å
160K82.3Confident86.8Confident185 Ų18586.7 Ų86.780%0.80437%0.373SS*.THydrogen-bonded Turntrans48.237.1-177.1-58.4-176.1179.1-177.80113.6M156 D157 H158 I162M156-K160 WeakPolarHBondContact O-CA 3.4Å; M156-K160 PolarHBondContact O-N 3.39Å; D157-K160 WeakPolarHBondContact O-CG 3.47Å; D157-K160 PolarHBondContact O-N 3.1Å; H158-K160 VanDerWaalsContact C-N 3.28Å; H158-K160 PolarHBondContact O-N 3.1Å; K160-I162 VanDerWaalsContact C-N 3.35Å; K160-I162 PolarHBondContact O-N 3.1Å
161G79.4Confident86.9Confident18 Ų1888 Ų8819%0.18637%0.373CS..THydrogen-bonded Turntrans77.24.5-177.800000116.6M156 Q159 L172M156-G161 PolarHBondContact O-N 2.84Å; Q159-G161 PolarHBondContact O-N 2.97Å; Q159-G161 VanDerWaalsContact O-N 3.08Å; G161-L172 PolarHBondContact O-N 3.23Å
162I87.3Confident87Confident79 Ų7985.6 Ų85.641%0.40536%0.361SS..EExtended strand (participates in β ladder)trans-134.6114.6179.6-54.9178.9000110.8Q159 K160 E169Q159-I162 CarbonylContact O-C 3.49Å; Q159-I162 PolarHBondContact O-N 3.27Å; Q159-I162 PolarHBondContact OE1-O 2.91Å; K160-I162 VanDerWaalsContact C-N 3.35Å; K160-I162 PolarHBondContact O-N 3.1Å; I162-E169 HydrophobicContact CG2-CB 3.85Å; I162-E169 HydrophobicContact CG2-CG 4.44Å
163F88.2Confident86.9Confident5 Ų589.9 Ų89.92%0.02238%0.383CS..EExtended strand (participates in β ladder)trans-100.3126.4175.5-179.5-133.4000110.5I113 A116 L117 A120 W155 Q159 V165 I170 L172I113-F163 HydrophobicContact CG2-CE1 4.42Å; A116-F163 HydrophobicContact CB-CE1 4.46Å; A116-F163 HydrophobicContact CB-CZ 3.92Å; L117-F163 HydrophobicContact CD2-CE1 4.01Å; L117-F163 HydrophobicContact CD2-CE2 4.4Å; L117-F163 HydrophobicContact CD2-CZ 3.76Å; L117-F163 HydrophobicContact CG-CE1 4Å; L117-F163 HydrophobicContact CG-CZ 3.83Å; A120-F163 HydrophobicContact CB-CE2 4.35Å; W155-F163 HydrophobicContact CH2-CB 4.43Å; W155-F163 HydrophobicContact CH2-CD1 4.15Å; W155-F163 HydrophobicContact CH2-CG 4.23Å; W155-F163 HydrophobicContact CZ2-CB 4.17Å; W155-F163 AromaticContact CZ2-CD1 3.91Å; W155-F163 HydrophobicContact CZ2-CD1 3.91Å; W155-F163 AromaticContact CZ2-CD2 3.81Å; W155-F163 HydrophobicContact CZ2-CD2 3.81Å; W155-F163 HydrophobicContact CZ2-CE1 4.18Å; W155-F163 HydrophobicContact CZ2-CE2 4.1Å; W155-F163 AromaticContact CZ2-CG 3.72Å; W155-F163 HydrophobicContact CZ2-CG 3.72Å; W155-F163 HydrophobicContact CZ2-CZ 4.27Å; Q159-F163 HydrophobicContact CG-CD2 4.45Å; F163-V165 HydrophobicContact CD1-CG2 3.61Å; F163-V165 HydrophobicContact CE1-CG2 3.37Å; F163-V165 HydrophobicContact CG-CG2 4.37Å; F163-V165 HydrophobicContact CZ-CG2 3.95Å; F163-I170 PolarHBondContact N-O 2.79Å; F163-I170 PolarHBondContact O-N 3.2Å; F163-L172 HydrophobicContact CB-CD1 4.2Å; F163-L172 HydrophobicContact CB-CD2 3.73Å; F163-L172 HydrophobicContact CB-CG 4.05Å
164R87.5Confident86.9Confident177 Ų17788.5 Ų88.567%0.66838%0.378SS*.EExtended strand (participates in β ladder)trans-94.5120-179.8-74.7-178.7168.8166.4-2.3110.9Y168 E169R164-Y168 WeakPolarHBondContact CA-O 3.42Å; R164-E169 HydrophobicContact CG-CG 4.27Å; R164-E169 IonicContact CZ-OE1 3.19Å; R164-E169 IonicContact NE-OE1 2.67Å; R164-E169 PolarHBondContact NE-OE1 2.7Å; R164-E169 IonicContact NH2-OE1 2.98Å; R164-E169 PolarHBondContact NH2-OE1 3.25Å
165V85.3Confident86.6Confident1 Ų180 Ų801%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-120.4113.8176-179.80000109.3L108 D112 I113 A116 F163 R167 Y168 I170L108-V165 HydrophobicContact CD1-CB 4Å; L108-V165 HydrophobicContact CD1-CG1 3.73Å; D112-V165 WeakPolarHBondContact O-CG1 3.28Å; I113-V165 HydrophobicContact CG1-CG1 4.48Å; A116-V165 HydrophobicContact CB-CB 4.36Å; A116-V165 HydrophobicContact CB-CG1 3.96Å; A116-V165 HydrophobicContact CB-CG2 3.87Å; F163-V165 HydrophobicContact CD1-CG2 3.61Å; F163-V165 HydrophobicContact CE1-CG2 3.37Å; F163-V165 HydrophobicContact CG-CG2 4.37Å; F163-V165 HydrophobicContact CZ-CG2 3.95Å; V165-R167 PolarHBondContact O-N 3.13Å; V165-Y168 PolarHBondContact N-O 2.75Å; V165-Y168 PolarHBondContact O-N 3.38Å; V165-I170 HydrophobicContact CB-CD1 4Å; V165-I170 HydrophobicContact CG2-CD1 3.72Å
166R82.4Confident85.9Confident174 Ų17483.3 Ų83.366%0.65737%0.37SS*.THydrogen-bonded Turntrans51.7-104.1-168.8-61-177.6178.11359.3111.7D112D112-R166 IonicContact OD1-CZ 2.69Å; D112-R166 IonicContact OD1-NH1 3.79Å; D112-R166 PolarHBondContact OD1-NH1 3.41Å; D112-R166 IonicContact OD1-NH2 2.65Å; D112-R166 PolarHBondContact OD1-NH2 3.15Å; D112-R166 IonicContact OD2-NH1 3.15Å; D112-R166 PolarHBondContact OD2-NH1 3.09Å
167R84Confident84.5Confident203 Ų20386 Ų8677%0.76639%0.389SS*.THydrogen-bonded Turntrans-109.411.1-178.569.6177.7-179.9-164.9-2.2113.9V165V165-R167 PolarHBondContact O-N 3.13Å
168Y86.7Confident82.9Confident64 Ų6491.9 Ų91.925%0.25140%0.403SS..EExtended strand (participates in β ladder)trans-122.8140.9-170.4-62.5-76000111.7P105 L108 R164 V165P105-Y168 HydrophobicContact CB-CD1 4.45Å; P105-Y168 HydrophobicContact CB-CE1 4.26Å; P105-Y168 HydrophobicContact CG-CD1 3.4Å; P105-Y168 HydrophobicContact CG-CD2 3.79Å; P105-Y168 HydrophobicContact CG-CE1 3.67Å; P105-Y168 HydrophobicContact CG-CE2 4.04Å; P105-Y168 HydrophobicContact CG-CG 3.45Å; P105-Y168 VanDerWaalsContact CG-CG 3.45Å; L108-Y168 HydrophobicContact CD1-CD2 4.06Å; L108-Y168 HydrophobicContact CD2-CD2 4.3Å; L108-Y168 HydrophobicContact CG-CD2 4.16Å; R164-Y168 WeakPolarHBondContact CA-O 3.42Å; V165-Y168 PolarHBondContact N-O 2.75Å; V165-Y168 PolarHBondContact O-N 3.38Å
169E88.9Confident80.7Confident104 Ų10489.4 Ų89.449%0.48640%0.395SS..EExtended strand (participates in β ladder)trans-100.6114.6178.5-54.9-158.313600110I162 R164I162-E169 HydrophobicContact CG2-CB 3.85Å; I162-E169 HydrophobicContact CG2-CG 4.44Å; R164-E169 HydrophobicContact CG-CG 4.27Å; R164-E169 IonicContact CZ-OE1 3.19Å; R164-E169 IonicContact NE-OE1 2.67Å; R164-E169 PolarHBondContact NE-OE1 2.7Å; R164-E169 IonicContact NH2-OE1 2.98Å; R164-E169 PolarHBondContact NH2-OE1 3.25Å
170I91.2Very high78.5Confident0 Ų094 Ų940%042%0.417CS..EExtended strand (participates in β ladder)trans-100121.8178.7-67.5165.9000107.9L101 R102 I104 L108 I113 F163 V165L101-I170 HydrophobicContact CB-CG2 3.74Å; L101-I170 HydrophobicContact CD2-CG2 4.21Å; L101-I170 HydrophobicContact CG-CG2 4.41Å; R102-I170 CarbonylContact O-C 3.56Å; R102-I170 WeakPolarHBondContact O-CA 3.33Å; I104-I170 HydrophobicContact CG1-CD1 4.13Å; I104-I170 HydrophobicContact CG1-CG1 4.32Å; I104-I170 HydrophobicContact CG1-CG2 4.35Å; L108-I170 HydrophobicContact CD1-CD1 4.27Å; I113-I170 HydrophobicContact CD1-CD1 4.08Å; I113-I170 HydrophobicContact CG1-CD1 4.3Å; F163-I170 PolarHBondContact N-O 2.79Å; F163-I170 PolarHBondContact O-N 3.2Å; V165-I170 HydrophobicContact CB-CD1 4Å; V165-I170 HydrophobicContact CG2-CD1 3.72Å
171R90Very high76.5Confident166 Ų16690 Ų9063%0.62640%0.403SS*.EExtended strand (participates in β ladder)trans-73.9129175-173.2178.7-62.2-175.10.6109.9R102 M173R102-R171 PolarHBondContact N-O 2.99Å; R102-R171 PolarHBondContact O-N 2.93Å; R171-M173 HydrophobicContact CG-CG 4.39Å
172L91.3Very high74.6Confident7 Ų796.3 Ų96.34%0.03743%0.433CS..EExtended strand (participates in β ladder)trans-90.2141.2170.1-51.5-176.6000109.8I99 L101 W155 M156 Q159 G161 F163I99-L172 HydrophobicContact CG2-CB 4.02Å; I99-L172 HydrophobicContact CG2-CD2 4.2Å; L101-L172 HydrophobicContact CD2-CD2 3.31Å; W155-L172 HydrophobicContact CD2-CD1 4.21Å; W155-L172 HydrophobicContact CE3-CD1 3.88Å; W155-L172 HydrophobicContact CH2-CD1 3.83Å; W155-L172 HydrophobicContact CH2-CD2 3.42Å; W155-L172 VanDerWaalsContact CH2-CD2 3.42Å; W155-L172 HydrophobicContact CH2-CG 4.28Å; W155-L172 HydrophobicContact CZ2-CD1 4.11Å; W155-L172 HydrophobicContact CZ2-CD2 4.26Å; W155-L172 HydrophobicContact CZ3-CD1 3.72Å; W155-L172 HydrophobicContact CZ3-CD2 3.61Å; W155-L172 HydrophobicContact CZ3-CG 4.27Å; M156-L172 HydrophobicContact CE-CB 3.84Å; Q159-L172 HydrophobicContact CB-CD1 3.64Å; Q159-L172 HydrophobicContact CG-CD1 4.1Å; G161-L172 PolarHBondContact O-N 3.23Å; F163-L172 HydrophobicContact CB-CD1 4.2Å; F163-L172 HydrophobicContact CB-CD2 3.73Å; F163-L172 HydrophobicContact CB-CG 4.05Å
173M87.8Confident72.4Confident91 Ų9197 Ų9745%0.44845%0.445SS..EExtended strand (participates in β ladder)trans-143.3144.3167.4-59.4-175.968.900108.1I99 M100 R171 S175I99-M173 CarbonylContact C-O 3.58Å; I99-M173 WeakPolarHBondContact CG2-O 3.33Å; M100-M173 PolarHBondContact N-O 3.36Å; M100-M173 PolarHBondContact O-N 3.19Å; R171-M173 HydrophobicContact CG-CG 4.39Å; M173-S175 PolarHBondContact O-N 3.25Å
174Y88.4Confident70.2Confident56 Ų56102 Ų10222%0.2247%0.471CS..EExtended strand (participates in β ladder)trans-55.1129.6166.4-64.3-67.9000107.9D94 A95 I99 R153 M156 T176D94-Y174 WeakPolarHBondContact O-CB 3.32Å; A95-Y174 HydrophobicContact CB-CD1 4.35Å; A95-Y174 HydrophobicContact CB-CE1 4.19Å; A95-Y174 HydrophobicContact CB-CE2 4.42Å; I99-Y174 HydrophobicContact CD1-CD1 4.5Å; I99-Y174 HydrophobicContact CD1-CE1 4.4Å; I99-Y174 HydrophobicContact CG1-CD1 4.16Å; R153-Y174 WeakPolarHBondContact CA-OH 3.38Å; R153-Y174 HydrophobicContact CG-CE1 4.28Å; R153-Y174 WeakPolarHBondContact CG-OH 3.35Å; M156-Y174 HydrophobicContact CB-CE1 4.34Å; M156-Y174 HydrophobicContact CE-CD1 4.11Å; M156-Y174 HydrophobicContact CE-CD2 4.46Å; M156-Y174 HydrophobicContact CE-CE1 4.19Å; M156-Y174 HydrophobicContact CE-CG 4.23Å; M156-Y174 HydrophobicContact SD-CD1 4.15Å; M156-Y174 HydrophobicContact SD-CD2 3.69Å; M156-Y174 HydrophobicContact SD-CE1 3.88Å; M156-Y174 HydrophobicContact SD-CE2 3.39Å; M156-Y174 WeakPolarHBondContact SD-CE2 3.32Å; M156-Y174 HydrophobicContact SD-CG 4.04Å; Y174-T176 PolarHBondContact O-N 2.7Å
175S82.8Confident68.1Low15 Ų1599.3 Ų99.311%0.10547%0.469CS..  trans-71.8106.7173.1-179.50000106.5S96 T98 F143 M173 P177S96-S175 WeakPolarHBondContact CB-O 3.4Å; S96-S175 PolarHBondContact OG-O 3.15Å; T98-S175 VanDerWaalsContact O-CB 3.23Å; T98-S175 WeakPolarHBondContact O-CB 3.38Å; T98-S175 PolarHBondContact O-N 2.85Å; F143-S175 WeakPolarHBondContact CE1-OG 3.28Å; M173-S175 PolarHBondContact O-N 3.25Å; S175-P177 VanDerWaalsContact O-N 3.11Å
176T75.1Confident65.8Low83 Ų83107.8 Ų107.851%0.50951%0.508SS..  trans-45.3125.8168.749.80000107.8Y174 R178Y174-T176 PolarHBondContact O-N 2.7Å; T176-R178 PolarHBondContact O-N 3.42Å; T176-R178 VanDerWaalsContact O-N 3.11Å
177P57.9Low63.6Low78 Ų78105.9 Ų105.951%0.50651%0.506SS..  trans-58127.7-179.922.6-31.5000106.7S175 N179S175-P177 VanDerWaalsContact O-N 3.11Å; P177-N179 PolarHBondContact O-N 3.39Å
178R53.7Low61.3Low230 Ų230102 Ų10287%0.86851%0.51SS*.  trans-61.897.2159.2-105.9-175.3164.6-159.2-9.4104.8T176 Q180T176-R178 PolarHBondContact O-N 3.42Å; T176-R178 VanDerWaalsContact O-N 3.11Å; R178-Q180 PolarHBondContact O-N 3.03Å
179N38.5Very low58.6Low99 Ų99102.2 Ų102.253%0.52953%0.532SS..  trans-49.3117.1-164.6-169-15.4000107.2P177 L181 D182P177-N179 PolarHBondContact O-N 3.39Å; N179-L181 PolarHBondContact O-N 3.43Å; N179-L181 WeakPolarHBondContact OD1-CB 3.46Å; N179-D182 WeakPolarHBondContact O-CA 3.41Å; N179-D182 VanDerWaalsContact O-CB 3.3Å; N179-D182 WeakPolarHBondContact O-CB 3.28Å; N179-D182 PolarHBondContact O-N 2.89Å
180Q38.9Very low56.1Low139 Ų139105.5 Ų105.565%0.6555%0.553SS**THydrogen-bonded Turntrans-63.7-13.5-170.5-76.3-169.8-4.200111.6R178 D182 S183 L184R178-Q180 PolarHBondContact O-N 3.03Å; Q180-D182 VanDerWaalsContact C-N 3.25Å; Q180-D182 PolarHBondContact O-N 3.48Å; Q180-S183 CarbonylContact O-C 3.38Å; Q180-S183 VanDerWaalsContact O-C 3.25Å; Q180-S183 VanDerWaalsContact O-CA 3.3Å; Q180-S183 WeakPolarHBondContact O-CA 3.41Å; Q180-S183 WeakPolarHBondContact O-CB 3.46Å; Q180-S183 PolarHBondContact O-N 3.36Å; Q180-L184 HydrophobicContact CB-CD1 3.86Å; Q180-L184 HydrophobicContact CB-CG 4.36Å; Q180-L184 VanDerWaalsContact O-CB 3.22Å; Q180-L184 WeakPolarHBondContact O-CB 3.49Å; Q180-L184 VanDerWaalsContact O-CG 3.25Å; Q180-L184 WeakPolarHBondContact O-CG 3.34Å; Q180-L184 PolarHBondContact O-N 2.86Å
181L40.8Very low54.1Low100 Ų100110.2 Ų110.252%0.52459%0.592SS.*Hα-helixtrans-48.1-43.2161.9-157.465.2000113.3N179 S183 L184 I185N179-L181 PolarHBondContact O-N 3.43Å; N179-L181 WeakPolarHBondContact OD1-CB 3.46Å; L181-S183 PolarHBondContact O-N 2.89Å; L181-S183 VanDerWaalsContact O-N 3.14Å; L181-L184 PolarHBondContact O-N 3.49Å; L181-I185 HydrophobicContact CD1-CD1 3.69Å; L181-I185 HydrophobicContact CD1-CG1 3.8Å; L181-I185 HydrophobicContact CD2-CD1 4.35Å; L181-I185 HydrophobicContact CG-CD1 3.59Å; L181-I185 HydrophobicContact CG-CG1 4Å; L181-I185 WeakPolarHBondContact O-CG1 3.28Å; L181-I185 PolarHBondContact O-N 2.84Å
182D40.9Very low51.8Low152 Ų152108.6 Ų108.681%0.81360%0.603SS**Hα-helixtrans-73.14.2173.8-121.515.1000113.1N179 Q180N179-D182 WeakPolarHBondContact O-CA 3.41Å; N179-D182 VanDerWaalsContact O-CB 3.3Å; N179-D182 WeakPolarHBondContact O-CB 3.28Å; N179-D182 PolarHBondContact O-N 2.89Å; Q180-D182 VanDerWaalsContact C-N 3.25Å; Q180-D182 PolarHBondContact O-N 3.48Å
183S40.1Very low49.1Very low94 Ų94111.6 Ų111.666%0.65764%0.635SS**Hα-helixtrans-133.1-4.7176.4-59.80000113.6Q180 L181Q180-S183 CarbonylContact O-C 3.38Å; Q180-S183 VanDerWaalsContact O-C 3.25Å; Q180-S183 VanDerWaalsContact O-CA 3.3Å; Q180-S183 WeakPolarHBondContact O-CA 3.41Å; Q180-S183 WeakPolarHBondContact O-CB 3.46Å; Q180-S183 PolarHBondContact O-N 3.36Å; L181-S183 PolarHBondContact O-N 2.89Å; L181-S183 VanDerWaalsContact O-N 3.14Å
184L41.8Very low46.9Very low108 Ų108114.8 Ų114.857%0.56565%0.653SS**Hα-helixtrans-122.4-23.6-176.6-69.5171.9000112.7Q180 L181 H186 H187Q180-L184 HydrophobicContact CB-CD1 3.86Å; Q180-L184 HydrophobicContact CB-CG 4.36Å; Q180-L184 VanDerWaalsContact O-CB 3.22Å; Q180-L184 WeakPolarHBondContact O-CB 3.49Å; Q180-L184 VanDerWaalsContact O-CG 3.25Å; Q180-L184 WeakPolarHBondContact O-CG 3.34Å; Q180-L184 PolarHBondContact O-N 2.86Å; L181-L184 PolarHBondContact O-N 3.49Å; L184-H186 PolarHBondContact O-N 2.97Å; L184-H187 PolarHBondContact O-N 3.33Å
185I43.9Very low44.5Very low122 Ų122120.2 Ų120.263%0.62669%0.685SS**THydrogen-bonded Turntrans-73.762.4164.6-53.1179.3000109.6L181L181-I185 HydrophobicContact CD1-CD1 3.69Å; L181-I185 HydrophobicContact CD1-CG1 3.8Å; L181-I185 HydrophobicContact CD2-CD1 4.35Å; L181-I185 HydrophobicContact CG-CD1 3.59Å; L181-I185 HydrophobicContact CG-CG1 4Å; L181-I185 WeakPolarHBondContact O-CG1 3.28Å; L181-I185 PolarHBondContact O-N 2.84Å
186H36.8Very low42.3Very low179 Ų179123 Ų12383%0.82972%0.717SS**THydrogen-bonded Turntrans-157.512.9151.5-110.554.4000113.7L184L184-H186 PolarHBondContact O-N 2.97Å
187H35.6Very low40.7Very low134 Ų134124.8 Ų124.862%0.6273%0.73SS**SBendtrans-133.1114.7166.4-87.2-80.9000112.1L184L184-H187 PolarHBondContact O-N 3.33Å
188S35.3Very low39.7Very low121 Ų121126.2 Ų126.285%0.84674%0.742SS**  trans47.7116.9164.250.60000119.3
189G31.7Very low39Very low69 Ų69120.1 Ų120.171%0.71173%0.734SS**  trans-95.9-160.317200000115.1
190D36.3Very low39.1Very low172 Ų172125.2 Ų125.292%0.9275%0.752SS**  trans68.493.5167.2-57.3-29.5000119.8
191A49Very low39Very low100 Ų100127.5 Ų127.583%0.82677%0.765SS**  trans-158.1155.2130.600000110.6
192P40.3Very low38.8Very low132 Ų132129.1 Ų129.186%0.85778%0.779SS**  trans-128.7161.6-143.840.3-26.7000117.3
193G34.9Very low38.5Very low69 Ų69132.5 Ų132.571%0.71178%0.78SS**  trans151.1143.8144.900000119.5
194L42.2Very low38Very low158 Ų158133.6 Ų133.683%0.82779%0.785SS**  trans79.3103.4142.4-62168.6000122.2
195L37.9Very low37.8Very low170 Ų170134.3 Ų134.389%0.8980%0.796SS**  trans79.6138.1134.7-53.7172.7000121.3
196G36.3Very low37.3Very low75 Ų75132.7 Ų132.777%0.77380%0.801SS**  trans123.2114.1165.100000115.3
197P41.2Very low37Very low119 Ų119133.2 Ų133.277%0.77381%0.809SS**  trans-121.3164-164.642.4-33.4000118.6
198S38Very low36.9Very low109 Ų109131.7 Ų131.776%0.76281%0.814SS**  trans72.1109.3149.4-62.40000121.4
199S37.8Very low37.1Very low101 Ų101135.1 Ų135.171%0.70682%0.816SS**  -176.4163.1101.8-78.90000114.3
200F40.5Very low37.8Very low207 Ų207135.7 Ų135.791%0.90881%0.806SS**  trans71.7107.3172.5-59.4-72.4000118.9
201M37.6Very low38.4Very low187 Ų187131.8 Ų131.892%0.92179%0.792SS**  trans-78.8140.1173-59.5175.1166.600112.2
202T37.4Very low38.6Very low133 Ų133132.3 Ų132.382%0.81679%0.785SS**  trans-167.3113.5134.6-75.90000110.3
203R33.5Very low39.7Very low223 Ų223127.1 Ų127.184%0.84276%0.755SS**  trans49119154-175176.7172-177.1-2.3119.2
204P30.6Very low41.9Very low117 Ų117125.4 Ų125.476%0.7673%0.73SS**PPolyproline II helixtrans-70.1137.317230.5-34.3000111.9
205P36.6Very low43.8Very low123 Ų123118.6 Ų118.680%0.79969%0.693SS**PPolyproline II helixtrans-78.5147.4164.432.8-32.6000110.8
206A33.6Very low45.8Very low88 Ų88113.9 Ų113.973%0.72767%0.668SS**PPolyproline II helixtrans-77.8150.6179.100000112.4S208A206-S208 VanDerWaalsContact C-N 3.28Å; A206-S208 PolarHBondContact O-N 3.43Å
207L31.6Very low47.9Very low190 Ų190110.3 Ų110.3100%0.99563%0.632SS**SBendtrans-76.767.4179.5-75.3167.1000112.5
208S33.5Very low49.4Very low102 Ų102105.3 Ų105.371%0.71360%0.599SS**  trans-160.568.1175.863.70000114.3A206A206-S208 VanDerWaalsContact C-N 3.28Å; A206-S208 PolarHBondContact O-N 3.43Å
209E39.5Very low50.7Low194 Ų194107.7 Ų107.791%0.90759%0.591SS**  trans-142.7120.3162.9-138.9174.5-157.800111.2S211E209-S211 PolarHBondContact O-N 3.19Å
210V46.4Very low52.6Low81 Ų81104 Ų10449%0.49157%0.565SS.*  trans-71.4119.4-177.6175.20000109.5T212 D214V210-T212 PolarHBondContact O-N 2.79Å; V210-T212 VanDerWaalsContact O-N 3.12Å; V210-D214 HydrophobicContact CG1-CB 4.31Å
211S47.2Very low54.4Low89 Ų8997 Ų9762%0.62254%0.542SS*.G310 helixtrans-52.6118.1-171.2-174.20000113E209 G213E209-S211 PolarHBondContact O-N 3.19Å; S211-G213 PolarHBondContact O-N 2.76Å
212T54.4Low56.4Low111 Ų11188.7 Ų88.768%0.68150%0.503SS*.G310 helixtrans56.612.8165.769.30000118.6V210 R226V210-T212 PolarHBondContact O-N 2.79Å; V210-T212 VanDerWaalsContact O-N 3.12Å; T212-R226 VanDerWaalsContact O-CD 3.27Å; T212-R226 WeakPolarHBondContact O-CD 3.43Å; T212-R226 PolarHBondContact O-NH1 3.09Å
213G64Low58.6Low23 Ų2386.7 Ų86.724%0.23748%0.484CS..G310 helixtrans107.618.4160.700000117.4S211 R226 R238S211-G213 PolarHBondContact O-N 2.76Å; G213-R226 VanDerWaalsContact O-CB 3.31Å; G213-R226 WeakPolarHBondContact O-CB 3.2Å; G213-R226 WeakPolarHBondContact O-CG 3.37Å; G213-R238 PolarHBondContact O-NH2 3.44Å
214D80.5Confident61Low34 Ų3476 Ų7618%0.18244%0.444CS..  trans-61165.9160.8-76.113.1000111.2V210 H223 N224 F225 R226V210-D214 HydrophobicContact CG1-CB 4.31Å; D214-H223 IonicContact OD2-CE1 2.7Å; D214-H223 PolarHBondContact OD2-CE1 3.41Å; D214-H223 IonicContact OD2-ND1 2.58Å; D214-H223 IonicContact OD2-NE2 2.69Å; D214-N224 CarbonylContact C-O 3.38Å; D214-N224 WeakPolarHBondContact CA-O 3.43Å; D214-N224 WeakPolarHBondContact CB-O 3.28Å; D214-F225 VanDerWaalsContact CG-CA 3.49Å; D214-F225 WeakPolarHBondContact OD1-CA 3.45Å; D214-F225 WeakPolarHBondContact OD2-CA 3.26Å; D214-F225 WeakPolarHBondContact OD2-CD1 3.36Å; D214-R226 WeakPolarHBondContact OD1-CB 3.45Å; D214-R226 PolarHBondContact OD1-N 3.35Å
215W80.7Confident63.5Low15 Ų1575.5 Ų75.56%0.05743%0.429CS..EExtended strand (participates in β ladder)trans-149150.3-17564.3-83.1000113.8C217 N224 R228 C231 R238 V241W215-C217 HydrophobicContact CZ3-CB 4.25Å; W215-N224 HydrophobicContact CD2-CB 3.87Å; W215-N224 HydrophobicContact CE3-CB 4.41Å; W215-N224 HydrophobicContact CG-CB 4.23Å; W215-N224 HydrophobicContact CH2-CB 4.49Å; W215-N224 HydrophobicContact CZ2-CB 3.92Å; W215-N224 WeakPolarHBondContact CZ3-ND2 3.5Å; W215-N224 PolarHBondContact N-O 2.98Å; W215-N224 WeakPolarHBondContact O-CA 3.46Å; W215-N224 VanDerWaalsContact O-CB 3.27Å; W215-N224 WeakPolarHBondContact O-CB 3.49Å; W215-N224 PolarHBondContact O-N 2.84Å; W215-N224 PolarHBondContact O-ND2 3.04Å; W215-N224 VanDerWaalsContact O-ND2 3.12Å; W215-R228 WeakPolarHBondContact CZ2-O 3.47Å; W215-R228 PolarHBondContact NE1-O 2.89Å; W215-C231 HydrophobicContact CH2-CB 3.64Å; W215-C231 HydrophobicContact CZ2-CB 4.5Å; W215-C231 HydrophobicContact CZ3-CB 4.05Å; W215-R238 VanDerWaalsContact CD1-CZ 3.42Å; W215-R238 HydrophobicContact CD2-CB 4.35Å; W215-R238 HydrophobicContact CD2-CG 3.96Å; W215-R238 HydrophobicContact CG-CG 4.14Å; W215-R238 HydrophobicContact CH2-CB 4.16Å; W215-R238 HydrophobicContact CZ2-CB 3.75Å; W215-R238 HydrophobicContact CZ2-CG 4.26Å; W215-V241 HydrophobicContact CE3-CB 4.19Å; W215-V241 HydrophobicContact CE3-CG1 4.24Å; W215-V241 HydrophobicContact CE3-CG2 3.85Å; W215-V241 HydrophobicContact CZ3-CB 4.24Å; W215-V241 HydrophobicContact CZ3-CG2 3.51Å
216I80.8Confident65.7Low71 Ų7177.2 Ų77.236%0.36442%0.42SS..EExtended strand (participates in β ladder)trans-102134.5-176.5-60.6171.2000109.6S218 V241I216-S218 PolarHBondContact O-N 3.29Å; I216-V241 WeakPolarHBondContact O-CG1 3.4Å
217C79.5Confident68.1Low0 Ų082.2 Ų82.20%042%0.42CS..  trans-70.2116.5173.3169.90000110.4W215 R219 C220 S221 S222 N224 C231 C234W215-C217 HydrophobicContact CZ3-CB 4.25Å; C217-R219 VanDerWaalsContact C-N 3.28Å; C217-R219 PolarHBondContact O-N 3.13Å; C217-R219 PolarHBondContact SG-N 3.44Å; C217-C220 PolarHBondContact O-N 3.33Å; C217-C220 VanDerWaalsContact O-N 3.16Å; C217-C220 PolarHBondContact SG-N 3.16Å; C217-C220 VanDerWaalsContact SG-N 3.44Å; C217-S221 VanDerWaalsContact O-CA 3.28Å; C217-S221 WeakPolarHBondContact O-CA 3.28Å; C217-S221 PolarHBondContact O-N 3.09Å; C217-S222 PolarHBondContact N-O 3.28Å; C217-N224 PolarHBondContact N-ND2 3.39Å; C217-C231 HydrophobicContact CB-CB 3.71Å; C217-C231 WeakPolarHBondContact CB-SG 3.27Å; C217-C234 WeakPolarHBondContact CB-SG 3.44Å; C217-C234 WeakPolarHBondContact SG-CB 3.44Å; C217-C234 CovalentContact SG-SG 2.06Å; C217-C234 PolarHBondContact SG-SG 3.29Å
218S73Confident70.5Confident13 Ų1376.6 Ų76.69%0.09139%0.386CS..THydrogen-bonded Turntrans-52.3-46.5175.449.40000112.2I216 C220 D249I216-S218 PolarHBondContact O-N 3.29Å; S218-C220 VanDerWaalsContact C-N 3.32Å; S218-C220 PolarHBondContact O-N 2.73Å; S218-D249 VanDerWaalsContact CB-OD2 3.29Å; S218-D249 WeakPolarHBondContact CB-OD2 3.24Å
219R67Low72.9Confident159 Ų15977.5 Ų77.560%0.638%0.382SS*.THydrogen-bonded Turntrans-65.9-16.5-179.9-168178.2-174.2-166.45.5116C217 L236C217-R219 VanDerWaalsContact C-N 3.28Å; C217-R219 PolarHBondContact O-N 3.13Å; C217-R219 PolarHBondContact SG-N 3.44Å; R219-L236 HydrophobicContact CB-CD2 3.98Å
220C77.7Confident75.2Confident23 Ų2373.5 Ų73.516%0.15536%0.364CS..THydrogen-bonded Turntrans-150.616.8-178.577.30000116.1C217 S218 S222 K233 C234C217-C220 PolarHBondContact O-N 3.33Å; C217-C220 VanDerWaalsContact O-N 3.16Å; C217-C220 PolarHBondContact SG-N 3.16Å; C217-C220 VanDerWaalsContact SG-N 3.44Å; S218-C220 VanDerWaalsContact C-N 3.32Å; S218-C220 PolarHBondContact O-N 2.73Å; C220-S222 PolarHBondContact O-N 3.06Å; C220-S222 PolarHBondContact O-OG 3.01Å; C220-S222 VanDerWaalsContact SG-CB 3.55Å; C220-S222 PolarHBondContact SG-OG 2.58Å; C220-K233 HydrophobicContact CB-CD 4.49Å; C220-C234 HydrophobicContact CB-CB 3.93Å; C220-C234 WeakPolarHBondContact SG-CB 3.48Å; C220-C234 VanDerWaalsContact SG-SG 3.62Å
221S76.9Confident77.1Confident61 Ų6169.7 Ų69.743%0.42734%0.34SS..  trans46.320-179.447.20000116.4C217C217-S221 VanDerWaalsContact O-CA 3.28Å; C217-S221 WeakPolarHBondContact O-CA 3.28Å; C217-S221 PolarHBondContact O-N 3.09Å
222S79.8Confident79.1Confident13 Ų1371.1 Ų71.19%0.09133%0.333CS..  trans-90.2130.5-174.3-62.50000111.7C217 C220 N224 K233C217-S222 PolarHBondContact N-O 3.28Å; C220-S222 PolarHBondContact O-N 3.06Å; C220-S222 PolarHBondContact O-OG 3.01Å; C220-S222 VanDerWaalsContact SG-CB 3.55Å; C220-S222 PolarHBondContact SG-OG 2.58Å; S222-N224 PolarHBondContact O-ND2 3.45Å; S222-K233 VanDerWaalsContact OG-CD 3.28Å; S222-K233 WeakPolarHBondContact OG-CD 3.37Å
223H84.4Confident80.4Confident90 Ų9072.7 Ų72.742%0.41733%0.331SS..EExtended strand (participates in β ladder)trans-74128.3-177.3-169.7-103.9000112.8D214 Y232D214-H223 IonicContact OD2-CE1 2.7Å; D214-H223 PolarHBondContact OD2-CE1 3.41Å; D214-H223 IonicContact OD2-ND1 2.58Å; D214-H223 IonicContact OD2-NE2 2.69Å; H223-Y232 VanDerWaalsContact O-CE1 3.24Å; H223-Y232 WeakPolarHBondContact O-CE1 3.45Å
224N83.5Confident81.4Confident0 Ų072.9 Ų72.90%033%0.328CS..EExtended strand (participates in β ladder)trans-121.9124.5-176-53.7-76.6000111.2D214 W215 C217 S222 R226 R228 C231 Y232D214-N224 CarbonylContact C-O 3.38Å; D214-N224 WeakPolarHBondContact CA-O 3.43Å; D214-N224 WeakPolarHBondContact CB-O 3.28Å; W215-N224 HydrophobicContact CD2-CB 3.87Å; W215-N224 HydrophobicContact CE3-CB 4.41Å; W215-N224 HydrophobicContact CG-CB 4.23Å; W215-N224 HydrophobicContact CH2-CB 4.49Å; W215-N224 HydrophobicContact CZ2-CB 3.92Å; W215-N224 WeakPolarHBondContact CZ3-ND2 3.5Å; W215-N224 PolarHBondContact N-O 2.98Å; W215-N224 WeakPolarHBondContact O-CA 3.46Å; W215-N224 VanDerWaalsContact O-CB 3.27Å; W215-N224 WeakPolarHBondContact O-CB 3.49Å; W215-N224 PolarHBondContact O-N 2.84Å; W215-N224 PolarHBondContact O-ND2 3.04Å; W215-N224 VanDerWaalsContact O-ND2 3.12Å; C217-N224 PolarHBondContact N-ND2 3.39Å; S222-N224 PolarHBondContact O-ND2 3.45Å; N224-R226 PolarHBondContact O-N 2.79Å; N224-R228 HydrophobicContact CB-CB 4.43Å; N224-C231 VanDerWaalsContact OD1-CA 3.23Å; N224-C231 WeakPolarHBondContact OD1-CA 3.46Å; N224-C231 PolarHBondContact OD1-SG 2.83Å; N224-Y232 WeakPolarHBondContact OD1-CD1 3.31Å; N224-Y232 PolarHBondContact OD1-N 2.87Å
225F83.7Confident81.5Confident105 Ų10576.7 Ų76.746%0.46135%0.345SS..  trans-51.1138.1169.8-56.7-63.4000112.1D214 R227 R228D214-F225 VanDerWaalsContact CG-CA 3.49Å; D214-F225 WeakPolarHBondContact OD1-CA 3.45Å; D214-F225 WeakPolarHBondContact OD2-CA 3.26Å; D214-F225 WeakPolarHBondContact OD2-CD1 3.36Å; F225-R227 HydrophobicContact CB-CG 4.11Å; F225-R227 PolarHBondContact O-N 2.87Å; F225-R228 WeakPolarHBondContact O-CB 3.41Å; F225-R228 PolarHBondContact O-N 3.02Å
226R82.1Confident81.4Confident159 Ų15976.7 Ų76.760%0.635%0.346SS*.THydrogen-bonded Turntrans-43.8-33.9-176.9179.2169.8179.1165.7-0.6114.8T212 G213 D214 N224 R228 R238T212-R226 VanDerWaalsContact O-CD 3.27Å; T212-R226 WeakPolarHBondContact O-CD 3.43Å; T212-R226 PolarHBondContact O-NH1 3.09Å; G213-R226 VanDerWaalsContact O-CB 3.31Å; G213-R226 WeakPolarHBondContact O-CB 3.2Å; G213-R226 WeakPolarHBondContact O-CG 3.37Å; D214-R226 WeakPolarHBondContact OD1-CB 3.45Å; D214-R226 PolarHBondContact OD1-N 3.35Å; N224-R226 PolarHBondContact O-N 2.79Å; R226-R228 VanDerWaalsContact C-N 3.25Å; R226-R228 PolarHBondContact O-N 2.76Å; R226-R238 PolarHBondContact O-NH1 3.43Å
227R83.5Confident81.5Confident193 Ų19375.5 Ų75.573%0.72834%0.342SS*.THydrogen-bonded Turntrans-75.54.7179.470.4-178.2-174.688.90.9115.7F225F225-R227 HydrophobicContact CB-CG 4.11Å; F225-R227 PolarHBondContact O-N 2.87Å
228R81.8Confident81.5Confident73 Ų7378 Ų7828%0.27535%0.352SS..  trans-106.5123.7176.7-78.2-178.4167.2144.6-7.1109.1W215 N224 F225 R226 Q230W215-R228 WeakPolarHBondContact CZ2-O 3.47Å; W215-R228 PolarHBondContact NE1-O 2.89Å; N224-R228 HydrophobicContact CB-CB 4.43Å; F225-R228 WeakPolarHBondContact O-CB 3.41Å; F225-R228 PolarHBondContact O-N 3.02Å; R226-R228 VanDerWaalsContact C-N 3.25Å; R226-R228 PolarHBondContact O-N 2.76Å; R228-Q230 WeakPolarHBondContact CB-O 3.42Å
229D84.7Confident81.4Confident120 Ų12081.7 Ų81.764%0.64238%0.377SS*.SBendtrans-94.3-2.6172.6-55.4-56.6000112.8P237 R238D229-P237 CarbonylContact O-C 3.52Å; D229-P237 WeakPolarHBondContact O-CA 3.41Å; D229-R238 PolarHBondContact O-N 3.27Å
230Q88.1Confident81.2Confident111 Ų11178.8 Ų78.852%0.51937%0.371SS..BIsolated β-bridgetrans-137.7145.5171.5-68.8171.930.600109.2R228 L236R228-Q230 WeakPolarHBondContact CB-O 3.42Å; Q230-L236 WeakPolarHBondContact CA-O 3.34Å
231C86.3Confident80.3Confident0 Ų078 Ų780%037%0.365CS..  trans-75.2139-174.9171.50000112.6W215 C217 N224 K233 C234 Q235 L236W215-C231 HydrophobicContact CH2-CB 3.64Å; W215-C231 HydrophobicContact CZ2-CB 4.5Å; W215-C231 HydrophobicContact CZ3-CB 4.05Å; C217-C231 HydrophobicContact CB-CB 3.71Å; C217-C231 WeakPolarHBondContact CB-SG 3.27Å; N224-C231 VanDerWaalsContact OD1-CA 3.23Å; N224-C231 WeakPolarHBondContact OD1-CA 3.46Å; N224-C231 PolarHBondContact OD1-SG 2.83Å; C231-K233 PolarHBondContact O-N 3.21Å; C231-K233 VanDerWaalsContact O-N 3.1Å; C231-K233 PolarHBondContact SG-N 3.27Å; C231-K233 VanDerWaalsContact SG-N 3.43Å; C231-C234 WeakPolarHBondContact CB-SG 3.49Å; C231-C234 PolarHBondContact SG-SG 3.19Å; C231-Q235 WeakPolarHBondContact O-CA 3.47Å; C231-Q235 PolarHBondContact O-N 2.95Å; C231-Q235 PolarHBondContact O-OE1 3.25Å; C231-L236 PolarHBondContact N-O 2.91Å
232Y88.6Confident78.8Confident120 Ų12081.2 Ų81.247%0.47137%0.373SS..THydrogen-bonded Turntrans-63.2-21.2-176.685.1-96.9000115.5H223 N224H223-Y232 VanDerWaalsContact O-CE1 3.24Å; H223-Y232 WeakPolarHBondContact O-CE1 3.45Å; N224-Y232 WeakPolarHBondContact OD1-CD1 3.31Å; N224-Y232 PolarHBondContact OD1-N 2.87Å
233K81.7Confident77.1Confident144 Ų14484.3 Ų84.363%0.62640%0.395SS*.THydrogen-bonded Turntrans-108.5-50.4-178.7-171.4-175.5-178.2-174.50112.4C220 S222 C231C220-K233 HydrophobicContact CB-CD 4.49Å; S222-K233 VanDerWaalsContact OG-CD 3.28Å; S222-K233 WeakPolarHBondContact OG-CD 3.37Å; C231-K233 PolarHBondContact O-N 3.21Å; C231-K233 VanDerWaalsContact O-N 3.1Å; C231-K233 PolarHBondContact SG-N 3.27Å; C231-K233 VanDerWaalsContact SG-N 3.43Å
234C84.1Confident75.2Confident26 Ų2683.3 Ų83.318%0.17639%0.392CS..THydrogen-bonded Turntrans-91.5-8.7-176.465.70000114.4C217 C220 C231 L236C217-C234 WeakPolarHBondContact CB-SG 3.44Å; C217-C234 WeakPolarHBondContact SG-CB 3.44Å; C217-C234 CovalentContact SG-SG 2.06Å; C217-C234 PolarHBondContact SG-SG 3.29Å; C220-C234 HydrophobicContact CB-CB 3.93Å; C220-C234 WeakPolarHBondContact SG-CB 3.48Å; C220-C234 VanDerWaalsContact SG-SG 3.62Å; C231-C234 WeakPolarHBondContact CB-SG 3.49Å; C231-C234 PolarHBondContact SG-SG 3.19Å; C234-L236 HydrophobicContact CB-CB 4.37Å; C234-L236 PolarHBondContact O-N 3.3Å; C234-L236 WeakPolarHBondContact SG-CB 3.27Å
235Q83.1Confident73.2Confident115 Ų11587.7 Ų87.754%0.53742%0.419SS..  trans51.26.5-169.1-55.7-63.2-5.700116.1C231C231-Q235 WeakPolarHBondContact O-CA 3.47Å; C231-Q235 PolarHBondContact O-N 2.95Å; C231-Q235 PolarHBondContact O-OE1 3.25Å
236L78.4Confident71.1Confident15 Ų1588.6 Ų88.68%0.07943%0.429CS..  trans-57.1131.3175.6-16777000110R219 Q230 C231 C234 Q240 V241R219-L236 HydrophobicContact CB-CD2 3.98Å; Q230-L236 WeakPolarHBondContact CA-O 3.34Å; C231-L236 PolarHBondContact N-O 2.91Å; C234-L236 HydrophobicContact CB-CB 4.37Å; C234-L236 PolarHBondContact O-N 3.3Å; C234-L236 WeakPolarHBondContact SG-CB 3.27Å; L236-Q240 HydrophobicContact CD1-CB 4.39Å; L236-Q240 HydrophobicContact CD1-CG 4.17Å; L236-Q240 HydrophobicContact CG-CB 4.3Å; L236-V241 HydrophobicContact CD2-CG2 3.7Å
237P83.1Confident69.6Low45 Ų4585 Ų8529%0.29243%0.428SS..BIsolated β-bridgetrans-61.6144.4175.2-25.135.5000112.9D229 S239 Q240 V241D229-P237 CarbonylContact O-C 3.52Å; D229-P237 WeakPolarHBondContact O-CA 3.41Å; P237-S239 WeakPolarHBondContact CB-OG 3.31Å; P237-S239 PolarHBondContact O-N 3.47Å; P237-Q240 HydrophobicContact CB-CB 4.36Å; P237-Q240 PolarHBondContact O-N 2.8Å; P237-V241 PolarHBondContact O-N 2.86Å; P237-V241 VanDerWaalsContact O-N 3.15Å
238R79.4Confident68.3Low54 Ų5478.6 Ų78.620%0.20441%0.41CS..Hα-helixtrans-59.6-36.1172.9-174.1-178.9-174.8146.913.5111.4G213 W215 R226 D229 Q240 V241 Q242G213-R238 PolarHBondContact O-NH2 3.44Å; W215-R238 VanDerWaalsContact CD1-CZ 3.42Å; W215-R238 HydrophobicContact CD2-CB 4.35Å; W215-R238 HydrophobicContact CD2-CG 3.96Å; W215-R238 HydrophobicContact CG-CG 4.14Å; W215-R238 HydrophobicContact CH2-CB 4.16Å; W215-R238 HydrophobicContact CZ2-CB 3.75Å; W215-R238 HydrophobicContact CZ2-CG 4.26Å; R226-R238 PolarHBondContact O-NH1 3.43Å; D229-R238 PolarHBondContact O-N 3.27Å; R238-Q240 VanDerWaalsContact C-N 3.28Å; R238-Q240 PolarHBondContact O-N 2.86Å; R238-V241 PolarHBondContact O-N 2.78Å; R238-Q242 WeakPolarHBondContact O-CB 3.44Å; R238-Q242 PolarHBondContact O-N 2.82Å
239S70.3Confident67.4Low89 Ų8976.4 Ų76.462%0.62240%0.404SS*.Hα-helixtrans-57.7-40.617448.50000112.3P237 Q242 S243P237-S239 WeakPolarHBondContact CB-OG 3.31Å; P237-S239 PolarHBondContact O-N 3.47Å; S239-Q242 PolarHBondContact O-N 2.81Å; S239-Q242 VanDerWaalsContact O-N 3.16Å; S239-S243 PolarHBondContact O-N 2.59Å; S239-S243 PolarHBondContact O-OG 2.87Å
240Q63.8Low66.6Low99 Ų9971 Ų7146%0.46338%0.377SS..Hα-helixtrans-72.8-33.1178.5-164.6168.114.100112.2L236 P237 R238 Q242 S243 L244L236-Q240 HydrophobicContact CD1-CB 4.39Å; L236-Q240 HydrophobicContact CD1-CG 4.17Å; L236-Q240 HydrophobicContact CG-CB 4.3Å; P237-Q240 HydrophobicContact CB-CB 4.36Å; P237-Q240 PolarHBondContact O-N 2.8Å; R238-Q240 VanDerWaalsContact C-N 3.28Å; R238-Q240 PolarHBondContact O-N 2.86Å; Q240-Q242 VanDerWaalsContact C-N 3.35Å; Q240-S243 WeakPolarHBondContact CA-OG 3.46Å; Q240-S243 PolarHBondContact O-OG 3.36Å; Q240-L244 WeakPolarHBondContact O-CD1 3.14Å; Q240-L244 PolarHBondContact O-N 3.17Å
241V57.9Low65.9Low7 Ų767.6 Ų67.64%0.04236%0.364CS..Hα-helixtrans-63-44.1165.2172.70000110.7W215 I216 L236 P237 R238 S243 L244 T245W215-V241 HydrophobicContact CE3-CB 4.19Å; W215-V241 HydrophobicContact CE3-CG1 4.24Å; W215-V241 HydrophobicContact CE3-CG2 3.85Å; W215-V241 HydrophobicContact CZ3-CB 4.24Å; W215-V241 HydrophobicContact CZ3-CG2 3.51Å; I216-V241 WeakPolarHBondContact O-CG1 3.4Å; L236-V241 HydrophobicContact CD2-CG2 3.7Å; P237-V241 PolarHBondContact O-N 2.86Å; P237-V241 VanDerWaalsContact O-N 3.15Å; R238-V241 PolarHBondContact O-N 2.78Å; V241-S243 VanDerWaalsContact C-N 3.26Å; V241-S243 PolarHBondContact O-N 2.96Å; V241-L244 CarbonylContact O-C 3.55Å; V241-L244 WeakPolarHBondContact O-CA 3.46Å; V241-L244 PolarHBondContact O-N 2.99Å; V241-T245 HydrophobicContact CG1-CG2 3.74Å; V241-T245 WeakPolarHBondContact O-CG2 3.25Å; V241-T245 PolarHBondContact O-N 3Å; V241-T245 PolarHBondContact O-OG1 2.96Å
242Q46.8Very low65.3Low128 Ų12873 Ų7360%0.59839%0.392SS*.Hα-helixtrans-69.9-23.6-172.6-155.8157.64.600113.2R238 S239 Q240 T245R238-Q242 WeakPolarHBondContact O-CB 3.44Å; R238-Q242 PolarHBondContact O-N 2.82Å; S239-Q242 PolarHBondContact O-N 2.81Å; S239-Q242 VanDerWaalsContact O-N 3.16Å; Q240-Q242 VanDerWaalsContact C-N 3.35Å; Q242-T245 WeakPolarHBondContact CA-OG1 3.38Å; Q242-T245 PolarHBondContact O-OG1 3.19Å; Q242-T245 VanDerWaalsContact O-OG1 3.08Å
243S44Very low64.9Low78 Ų7868.9 Ų68.955%0.54538%0.378SS..Hα-helixtrans-74.8-20.8165.946.90000114.6S239 Q240 V241S239-S243 PolarHBondContact O-N 2.59Å; S239-S243 PolarHBondContact O-OG 2.87Å; Q240-S243 WeakPolarHBondContact CA-OG 3.46Å; Q240-S243 PolarHBondContact O-OG 3.36Å; V241-S243 VanDerWaalsContact C-N 3.26Å; V241-S243 PolarHBondContact O-N 2.96Å
244L44.2Very low65Low69 Ų6963.7 Ų63.736%0.36136%0.357SS..Hα-helixtrans-103.50.9178.4-84.568.7000112.8Q240 V241 N246 D249Q240-L244 WeakPolarHBondContact O-CD1 3.14Å; Q240-L244 PolarHBondContact O-N 3.17Å; V241-L244 CarbonylContact O-C 3.55Å; V241-L244 WeakPolarHBondContact O-CA 3.46Å; V241-L244 PolarHBondContact O-N 2.99Å; L244-N246 VanDerWaalsContact O-O 3.09Å; L244-D249 WeakPolarHBondContact CD2-OD2 3.32Å
245T41.1Very low64.8Low91 Ų9163 Ų6356%0.55835%0.354SS*.THydrogen-bonded Turntrans-90.54.217548.90000115.1V241 Q242V241-T245 HydrophobicContact CG1-CG2 3.74Å; V241-T245 WeakPolarHBondContact O-CG2 3.25Å; V241-T245 PolarHBondContact O-N 3Å; V241-T245 PolarHBondContact O-OG1 2.96Å; Q242-T245 WeakPolarHBondContact CA-OG1 3.38Å; Q242-T245 PolarHBondContact O-OG1 3.19Å; Q242-T245 VanDerWaalsContact O-OG1 3.08Å
246N39.8Very low64.7Low124 Ų12464.3 Ų64.366%0.66337%0.37SS*.THydrogen-bonded Turntrans-66.5144.7149.5-73-16.9000107L244 V248L244-N246 VanDerWaalsContact O-O 3.09Å; N246-V248 VanDerWaalsContact C-N 3.33Å; N246-V248 HydrophobicContact CB-CG2 4.47Å; N246-V248 PolarHBondContact O-N 3.26Å
247S50.2Low64.9Low83 Ų8367.6 Ų67.658%0.5839%0.391SS*.THydrogen-bonded Turntrans-63.185.3-170.7-175.90000112.9R303S247-R303 PolarHBondContact O-NH2 2.69Å
248V57.7Low64.9Low60 Ų6069.2 Ų69.236%0.36440%0.402SS..THydrogen-bonded Turntrans-134.5-44.3-171.7179.70000112.1N246 G250 R303 F305N246-V248 VanDerWaalsContact C-N 3.33Å; N246-V248 HydrophobicContact CB-CG2 4.47Å; N246-V248 PolarHBondContact O-N 3.26Å; V248-G250 PolarHBondContact O-N 3.4Å; V248-R303 HydrophobicContact CG1-CB 4.22Å; V248-F305 WeakPolarHBondContact O-CD1 3.25Å; V248-F305 WeakPolarHBondContact O-CE1 3.37Å
249D62.4Low65.3Low26 Ų2667.8 Ų67.814%0.13940%0.4CS..SBendtrans-79.7-6.7-171.6-74.811.7000116.1S218 L244 V251 R265S218-D249 VanDerWaalsContact CB-OD2 3.29Å; S218-D249 WeakPolarHBondContact CB-OD2 3.24Å; L244-D249 WeakPolarHBondContact CD2-OD2 3.32Å; D249-V251 HydrophobicContact CB-CG2 3.78Å; D249-V251 PolarHBondContact O-N 3Å; D249-R265 WeakPolarHBondContact O-CD 3.48Å; D249-R265 WeakPolarHBondContact O-CG 3.23Å
250G66.6Low66.2Low8 Ų865.1 Ų65.18%0.08238%0.378CS..  trans67.112.6-17500000115.6V248 D252 L253V248-G250 PolarHBondContact O-N 3.4Å; G250-D252 PolarHBondContact O-N 3Å; G250-L253 PolarHBondContact O-N 3.47Å
251V74.2Confident67.5Low39 Ų3960.4 Ų60.424%0.23636%0.356CS..G310 helixtrans-57.9-34.8-179.5172.20000112.2D249 L253 I254D249-V251 HydrophobicContact CB-CG2 3.78Å; D249-V251 PolarHBondContact O-N 3Å; V251-L253 PolarHBondContact O-N 3.09Å; V251-L253 VanDerWaalsContact O-N 3.1Å; V251-I254 HydrophobicContact CB-CD1 4.33Å; V251-I254 HydrophobicContact CG1-CD1 4.03Å; V251-I254 WeakPolarHBondContact O-CB 3.45Å; V251-I254 WeakPolarHBondContact O-CD1 3.28Å; V251-I254 VanDerWaalsContact O-CG1 3.27Å; V251-I254 WeakPolarHBondContact O-CG1 3.27Å; V251-I254 PolarHBondContact O-N 2.81Å
252D73Confident69.1Low112 Ų11260 Ų6060%0.59935%0.354SS*.G310 helixtrans-67.8-8.3179.2-57-62.4000113.9G250 K343G250-D252 PolarHBondContact O-N 3Å; D252-K343 VanDerWaalsContact O-CD 3.29Å; D252-K343 WeakPolarHBondContact O-CD 3.46Å; D252-K343 WeakPolarHBondContact O-CE 3.05Å; D252-K343 PolarHBondContact O-NZ 3.07Å
253L81Confident71.2Confident34 Ų3454 Ų5418%0.17833%0.326CS..G310 helixtrans-104.25.5179.3-62.7167.5000112.9G250 V251 F307 A342 K343 I349 L353G250-L253 PolarHBondContact O-N 3.47Å; V251-L253 PolarHBondContact O-N 3.09Å; V251-L253 VanDerWaalsContact O-N 3.1Å; L253-F307 HydrophobicContact CB-CE1 4.29Å; L253-F307 HydrophobicContact CB-CZ 4.33Å; L253-F307 HydrophobicContact CD1-CE1 4.31Å; L253-F307 HydrophobicContact CD1-CZ 3.6Å; L253-A342 CarbonylContact O-C 3.47Å; L253-A342 WeakPolarHBondContact O-CA 3.45Å; L253-K343 PolarHBondContact O-N 2.88Å; L253-I349 HydrophobicContact CD1-CG2 4.21Å; L253-L353 HydrophobicContact CD1-CD1 4.45Å; L253-L353 HydrophobicContact CD1-CD2 4.29Å
254I83.4Confident73.3Confident36 Ų3650.3 Ų50.319%0.18530%0.3CS..BIsolated β-bridgetrans-73.9123174.7-58.5166.1000111.4V251 K343V251-I254 HydrophobicContact CB-CD1 4.33Å; V251-I254 HydrophobicContact CG1-CD1 4.03Å; V251-I254 WeakPolarHBondContact O-CB 3.45Å; V251-I254 WeakPolarHBondContact O-CD1 3.28Å; V251-I254 VanDerWaalsContact O-CG1 3.27Å; V251-I254 WeakPolarHBondContact O-CG1 3.27Å; V251-I254 PolarHBondContact O-N 2.81Å; I254-K343 VanDerWaalsContact C-CG 3.43Å; I254-K343 WeakPolarHBondContact O-CE 3.5Å; I254-K343 WeakPolarHBondContact O-CG 3.44Å
255G81.3Confident75.5Confident10 Ų1047.2 Ų47.210%0.10328%0.284CS..  trans-99.1153.517300000112.9Y341G255-Y341 PolarHBondContact N-O 3.35Å
256T80.6Confident77.4Confident143 Ų14345.4 Ų45.488%0.87727%0.274SS*.SBendtrans-92.7-18.4169.249.50000112.7
257T82.2Confident79.5Confident85 Ų8539.9 Ų39.952%0.52124%0.244SC..SBendtrans-82133.2178.341.20000111.1C259 Y341T257-C259 PolarHBondContact O-N 3.14Å; T257-Y341 WeakPolarHBondContact O-CB 3.29Å
258P83Confident80.9Confident79 Ų7937.9 Ų37.951%0.51323%0.227SC..  trans-68.3124.3175.828.2-33.5000110.4V313 Y341P258-V313 HydrophobicContact CB-CG1 4.37Å; P258-Y341 HydrophobicContact CB-CE1 4.04Å; P258-Y341 HydrophobicContact CB-CE2 4.04Å
259C87Confident81.9Confident24 Ų2437.9 Ų37.916%0.16223%0.233CC..  trans-138168.6-179.7670000110T257 T261 A316 A342T257-C259 PolarHBondContact O-N 3.14Å; C259-T261 PolarHBondContact O-N 2.8Å; C259-T261 PolarHBondContact SG-O 3.34Å; C259-A316 WeakPolarHBondContact O-CB 3.44Å; C259-A342 PolarHBondContact SG-O 2.96Å
260N90.2Very high82.7Confident32 Ų3243.5 Ų43.517%0.17126%0.263CS..SBendtrans-79.41.218079.6-42.9000113.6E309 L310 V313N260-E309 VanDerWaalsContact ND2-CG 3.25Å; N260-E309 WeakPolarHBondContact ND2-CG 3.5Å; N260-E309 PolarHBondContact ND2-OE1 3.14Å; N260-L310 PolarHBondContact ND2-O 3.23Å; N260-L310 PolarHBondContact O-N 3.27Å; N260-V313 HydrophobicContact CB-CG2 4.06Å
261T91.1Very high83.5Confident0 Ų043.5 Ų43.50%026%0.261CS..EExtended strand (participates in β ladder)trans-111.5117.5-178.9-53.80000109.4C259 A308 A342 F346 I349C259-T261 PolarHBondContact O-N 2.8Å; C259-T261 PolarHBondContact SG-O 3.34Å; T261-A308 WeakPolarHBondContact CA-O 3.49Å; T261-A342 HydrophobicContact CG2-CB 3.9Å; T261-A342 VanDerWaalsContact O-CB 3.31Å; T261-A342 WeakPolarHBondContact O-CB 3.19Å; T261-A342 PolarHBondContact O-N 3Å; T261-F346 HydrophobicContact CG2-CB 3.95Å; T261-F346 HydrophobicContact CG2-CD2 4.4Å; T261-F346 PolarHBondContact OG1-N 3.04Å; T261-F346 VanDerWaalsContact OG1-N 3.1Å; T261-I349 HydrophobicContact CG2-CD1 4.38Å
262L90.9Very high84.1Confident0 Ų044 Ų440%026%0.264CS..EExtended strand (participates in β ladder)trans-100.1142.4176.5-64177.5000111F280 F307 A308 L310 A316 V319 V339 S340 Y341L262-F280 HydrophobicContact CD1-CE1 3.96Å; L262-F280 HydrophobicContact CD1-CZ 4.13Å; L262-F307 WeakPolarHBondContact O-CA 3.44Å; L262-A308 PolarHBondContact N-O 3.11Å; L262-A308 PolarHBondContact O-N 2.59Å; L262-L310 HydrophobicContact CD1-CD1 3.75Å; L262-L310 HydrophobicContact CG-CD1 4.35Å; L262-A316 HydrophobicContact CD1-CB 4.46Å; L262-A316 HydrophobicContact CD2-CB 4.21Å; L262-A316 HydrophobicContact CG-CB 4.26Å; L262-V319 HydrophobicContact CD1-CB 4.13Å; L262-V319 HydrophobicContact CD1-CG1 3.96Å; L262-V339 HydrophobicContact CB-CG1 4.35Å; L262-V339 HydrophobicContact CD1-CG1 3.94Å; L262-V339 HydrophobicContact CD2-CG1 4.33Å; L262-V339 HydrophobicContact CG-CG1 4.45Å; L262-S340 CarbonylContact C-O 3.57Å; L262-S340 WeakPolarHBondContact CA-O 3.39Å; L262-Y341 HydrophobicContact CD2-CD1 3.62Å; L262-Y341 HydrophobicContact CD2-CE1 3.95Å; L262-Y341 HydrophobicContact CD2-CG 4.41Å
263V90.8Very high84.9Confident0 Ų040.5 Ų40.50%024%0.244CC..EExtended strand (participates in β ladder)trans-100.8120.5170.4-164.70000108.3R265 F307 S340 A342V263-R265 HydrophobicContact CG1-CG 4.12Å; V263-F307 HydrophobicContact CB-CE1 4.32Å; V263-F307 HydrophobicContact CG1-CD1 4.38Å; V263-F307 HydrophobicContact CG1-CE1 3.88Å; V263-F307 HydrophobicContact CG1-CZ 4.45Å; V263-F307 HydrophobicContact CG2-CD1 4.05Å; V263-F307 HydrophobicContact CG2-CE1 3.76Å; V263-S340 PolarHBondContact N-O 2.95Å; V263-S340 PolarHBondContact O-N 3.3Å; V263-A342 HydrophobicContact CG2-CB 3.55Å
264L89.7Confident85.2Confident1 Ų144.6 Ų44.61%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-101125.3175.1-61171.2000107.8L267 I276 F280 F305 A306 A308 V337 V339L264-L267 HydrophobicContact CB-CD1 3.98Å; L264-L267 HydrophobicContact CB-CD2 4.41Å; L264-L267 HydrophobicContact CB-CG 4.3Å; L264-I276 HydrophobicContact CD1-CD1 4.19Å; L264-I276 HydrophobicContact CD1-CG1 4.39Å; L264-I276 HydrophobicContact CD1-CG2 3.46Å; L264-I276 VanDerWaalsContact CD1-CG2 3.46Å; L264-F280 HydrophobicContact CD1-CE2 3.83Å; L264-F280 HydrophobicContact CD1-CZ 4.34Å; L264-F280 HydrophobicContact CD2-CE2 3.97Å; L264-F280 HydrophobicContact CD2-CZ 4.04Å; L264-F280 HydrophobicContact CG-CE2 4.47Å; L264-F305 CarbonylContact O-C 3.57Å; L264-F305 WeakPolarHBondContact O-CA 3.35Å; L264-F305 VanDerWaalsContact O-CB 3.25Å; L264-F305 WeakPolarHBondContact O-CB 3.37Å; L264-A306 HydrophobicContact CB-CB 4.39Å; L264-A306 PolarHBondContact N-O 2.67Å; L264-A306 PolarHBondContact O-N 3.42Å; L264-A308 HydrophobicContact CD1-CB 4.43Å; L264-V337 HydrophobicContact CB-CG1 3.93Å; L264-V337 HydrophobicContact CD2-CG1 4.11Å; L264-V339 HydrophobicContact CD2-CB 4.33Å; L264-V339 HydrophobicContact CD2-CG1 4.12Å; L264-V339 HydrophobicContact CD2-CG2 3.82Å
265R88.5Confident85.4Confident5 Ų546.1 Ų46.12%0.01928%0.275CS..EExtended strand (participates in β ladder)trans-128.1156.6178.4-61.5-176.1-51.9-65.82.5111.3D249 V263 L267 C304 F305 V337 T338 S340D249-R265 WeakPolarHBondContact O-CD 3.48Å; D249-R265 WeakPolarHBondContact O-CG 3.23Å; V263-R265 HydrophobicContact CG1-CG 4.12Å; R265-L267 VanDerWaalsContact C-N 3.29Å; R265-C304 CarbonylContact C-O 3.59Å; R265-F305 HydrophobicContact CG-CB 4.1Å; R265-V337 VanDerWaalsContact O-CG1 3.29Å; R265-V337 WeakPolarHBondContact O-CG1 3.49Å; R265-T338 PolarHBondContact N-O 2.93Å; R265-T338 VanDerWaalsContact NH2-CG2 3.27Å; R265-T338 PolarHBondContact O-N 2.95Å; R265-S340 PolarHBondContact NH1-OG 2.76Å; R265-S340 PolarHBondContact NH2-OG 2.83Å
266C81.8Confident85.8Confident53 Ų5345.7 Ų45.736%0.35827%0.27SS..SBendtrans63.934.4-171.5-48.20000112.7C304C266-C304 PolarHBondContact N-O 2.76Å
267L83.6Confident86.2Confident7 Ų740.8 Ų40.84%0.03724%0.242CC..  trans-67.5164.3162.7-65.5164.5000109.9L264 R265 T271 I276 C304 A306 V332 V337L264-L267 HydrophobicContact CB-CD1 3.98Å; L264-L267 HydrophobicContact CB-CD2 4.41Å; L264-L267 HydrophobicContact CB-CG 4.3Å; R265-L267 VanDerWaalsContact C-N 3.29Å; L267-T271 HydrophobicContact CD2-CG2 4.02Å; L267-I276 HydrophobicContact CD1-CD1 3.87Å; L267-I276 HydrophobicContact CD2-CD1 4.05Å; L267-I276 HydrophobicContact CD2-CG1 4.16Å; L267-C304 PolarHBondContact N-O 3.08Å; L267-C304 WeakPolarHBondContact O-CB 3.44Å; L267-A306 HydrophobicContact CD1-CB 3.35Å; L267-V332 HydrophobicContact CD2-CB 4.37Å; L267-V332 HydrophobicContact CD2-CG2 4.42Å; L267-V337 HydrophobicContact CD2-CB 4.45Å; L267-V337 HydrophobicContact CD2-CG1 3.85Å; L267-V337 HydrophobicContact CD2-CG2 3.65Å; L267-V337 HydrophobicContact CG-CG1 4.17Å; L267-V337 HydrophobicContact CG-CG2 4.44Å
268D80.9Confident86.3Confident42 Ų4242.5 Ų42.523%0.22524%0.244CC..  trans-75.7161.2173.6-149.3-7.4000112L270 T271 S302 K335D268-L270 PolarHBondContact O-N 3.34Å; D268-T271 WeakPolarHBondContact CB-OG1 3.5Å; D268-T271 PolarHBondContact N-OG1 2.61Å; D268-T271 PolarHBondContact O-N 3.49Å; D268-S302 PolarHBondContact O-OG 3.03Å; D268-K335 HydrophobicContact CB-CD 3.94Å; D268-K335 IonicContact OD1-NZ 3.15Å; D268-K335 PolarHBondContact OD1-NZ 2.99Å; D268-K335 WeakPolarHBondContact OD2-CE 3.17Å; D268-K335 IonicContact OD2-NZ 2.62Å; D268-K335 PolarHBondContact OD2-NZ 3.16Å
269A77.9Confident86.5Confident59 Ų5940 Ų4049%0.48823%0.227SC..THydrogen-bonded Turntrans-62.3-24.616800000112S302A269-S302 WeakPolarHBondContact O-CB 3.33Å
270L80Confident86.6Confident145 Ų14538.9 Ų38.976%0.75922%0.219SC*.THydrogen-bonded Turntrans-97.9-9.1-179.3-60.7178.1000114.3D268 T272D268-L270 PolarHBondContact O-N 3.34Å; L270-T272 PolarHBondContact O-N 3.28Å
271T83Confident86.4Confident8 Ų840.2 Ų40.25%0.04922%0.224CC..  trans-67.7128.7-176.4-55.70000111.2L267 D268 D275 I276 V332L267-T271 HydrophobicContact CD2-CG2 4.02Å; D268-T271 WeakPolarHBondContact CB-OG1 3.5Å; D268-T271 PolarHBondContact N-OG1 2.61Å; D268-T271 PolarHBondContact O-N 3.49Å; T271-D275 HydrophobicContact CG2-CB 4.05Å; T271-I276 HydrophobicContact CG2-CD1 4.17Å; T271-I276 HydrophobicContact CG2-CG1 3.86Å; T271-V332 HydrophobicContact CG2-CG1 3.56Å
272T87.3Confident86Confident49 Ų4945.7 Ų45.730%0.30125%0.254SS..  trans-94.7165.7178.266.90000112.7L270 D274 D275 I276L270-T272 PolarHBondContact O-N 3.28Å; T272-D274 PolarHBondContact O-N 2.91Å; T272-D274 PolarHBondContact OG1-N 3.35Å; T272-D275 WeakPolarHBondContact CB-OD2 3.04Å; T272-D275 PolarHBondContact N-OD2 3.09Å; T272-D275 PolarHBondContact OG1-N 2.93Å; T272-D275 VanDerWaalsContact OG1-N 3.14Å; T272-D275 PolarHBondContact OG1-OD2 3.41Å; T272-I276 WeakPolarHBondContact O-CG1 3.37Å; T272-I276 PolarHBondContact O-N 3.26Å
273E88.2Confident85.6Confident38 Ų3848.4 Ų48.418%0.17827%0.27CS..Hα-helixtrans-52.8-39.6166.9-80.678-177.900112.9C277 C291 H292 V293 R295E273-C277 PolarHBondContact O-N 2.59Å; E273-C277 VanDerWaalsContact O-N 3.14Å; E273-C277 PolarHBondContact O-SG 3.34Å; E273-C291 VanDerWaalsContact CB-SG 3.6Å; E273-H292 IonicContact OE1-ND1 2.83Å; E273-V293 HydrophobicContact CG-CG2 4.18Å; E273-V293 WeakPolarHBondContact OE1-CB 3.49Å; E273-V293 PolarHBondContact OE1-N 3.05Å; E273-R295 VanDerWaalsContact CD-NH1 3.33Å; E273-R295 IonicContact OE1-CZ 2.93Å; E273-R295 IonicContact OE1-NH1 3.21Å; E273-R295 PolarHBondContact OE1-NH1 2.9Å; E273-R295 IonicContact OE1-NH2 3.19Å; E273-R295 IonicContact OE2-CZ 3.87Å; E273-R295 IonicContact OE2-NH1 3.97Å; E273-R295 PolarHBondContact OE2-NH1 3.39Å; E273-R295 VanDerWaalsContact OE2-NH1 3.07Å; E273-R295 IonicContact OE2-NH2 2.69Å; E273-R295 PolarHBondContact OE2-NH2 2.93Å
274D88.4Confident84.8Confident121 Ų12149.2 Ų49.265%0.64728%0.277SS*.Hα-helixtrans-73.7-42.1-177.2-61.3-78000112.3T272 I276 C277 Q278T272-D274 PolarHBondContact O-N 2.91Å; T272-D274 PolarHBondContact OG1-N 3.35Å; D274-I276 PolarHBondContact O-N 3.09Å; D274-C277 PolarHBondContact O-N 3.2Å; D274-Q278 PolarHBondContact O-N 2.94Å
275D87.8Confident84.4Confident67 Ų6755.1 Ų55.136%0.35831%0.309SS..Hα-helixtrans-54.7-42.3174-62.2-55000111.1T271 T272 V279 V332T271-D275 HydrophobicContact CG2-CB 4.05Å; T272-D275 WeakPolarHBondContact CB-OD2 3.04Å; T272-D275 PolarHBondContact N-OD2 3.09Å; T272-D275 PolarHBondContact OG1-N 2.93Å; T272-D275 VanDerWaalsContact OG1-N 3.14Å; T272-D275 PolarHBondContact OG1-OD2 3.41Å; D275-V279 WeakPolarHBondContact O-CG2 3.3Å; D275-V279 PolarHBondContact O-N 3.41Å; D275-V332 HydrophobicContact CB-CG1 4.11Å
276I88.3Confident84.2Confident1 Ų155 Ų551%0.00531%0.309CS..Hα-helixtrans-66-45.2177.6-66167.7000110.1L264 L267 T271 T272 D274 Q278 V279 F280 V293 A306 V332L264-I276 HydrophobicContact CD1-CD1 4.19Å; L264-I276 HydrophobicContact CD1-CG1 4.39Å; L264-I276 HydrophobicContact CD1-CG2 3.46Å; L264-I276 VanDerWaalsContact CD1-CG2 3.46Å; L267-I276 HydrophobicContact CD1-CD1 3.87Å; L267-I276 HydrophobicContact CD2-CD1 4.05Å; L267-I276 HydrophobicContact CD2-CG1 4.16Å; T271-I276 HydrophobicContact CG2-CD1 4.17Å; T271-I276 HydrophobicContact CG2-CG1 3.86Å; T272-I276 WeakPolarHBondContact O-CG1 3.37Å; T272-I276 PolarHBondContact O-N 3.26Å; D274-I276 PolarHBondContact O-N 3.09Å; I276-Q278 VanDerWaalsContact C-N 3.33Å; I276-Q278 PolarHBondContact O-N 3.41Å; I276-V279 PolarHBondContact O-N 3.42Å; I276-F280 HydrophobicContact CG2-CD2 3.9Å; I276-F280 HydrophobicContact CG2-CE2 3.97Å; I276-F280 VanDerWaalsContact O-CD2 3.27Å; I276-F280 WeakPolarHBondContact O-CD2 3.33Å; I276-F280 PolarHBondContact O-N 3.32Å; I276-V293 HydrophobicContact CD1-CG2 3.67Å; I276-A306 HydrophobicContact CD1-CB 3.85Å; I276-V332 HydrophobicContact CG1-CG1 4.28Å
277C88.7Confident84.4Confident41 Ų4160 Ų6028%0.27732%0.324SS..Hα-helixtrans-63.3-39.9179.5-67.40000112.1E273 D274 Q281 C291E273-C277 PolarHBondContact O-N 2.59Å; E273-C277 VanDerWaalsContact O-N 3.14Å; E273-C277 PolarHBondContact O-SG 3.34Å; D274-C277 PolarHBondContact O-N 3.2Å; C277-Q281 WeakPolarHBondContact O-CB 3.24Å; C277-Q281 PolarHBondContact O-N 3.39Å; C277-Q281 VanDerWaalsContact O-N 3.09Å; C277-C291 PolarHBondContact SG-SG 2.98Å
278Q86.1Confident84.6Confident121 Ų12160.9 Ų60.957%0.56533%0.33SS*.Hα-helixtrans-63.2-51175.2-178.6170.3-6.200111.3D274 I276 F280 Q281 D282D274-Q278 PolarHBondContact O-N 2.94Å; I276-Q278 VanDerWaalsContact C-N 3.33Å; I276-Q278 PolarHBondContact O-N 3.41Å; Q278-F280 VanDerWaalsContact C-N 3.28Å; Q278-F280 PolarHBondContact O-N 3.24Å; Q278-Q281 PolarHBondContact O-N 2.98Å; Q278-D282 VanDerWaalsContact CG-OD2 3.29Å; Q278-D282 WeakPolarHBondContact CG-OD2 3.26Å; Q278-D282 PolarHBondContact NE2-OD2 3.45Å; Q278-D282 WeakPolarHBondContact O-CB 3.37Å; Q278-D282 PolarHBondContact O-N 3.05Å
279V86.5Confident84.9Confident27 Ų2767 Ų6716%0.16435%0.35CS..Hα-helixtrans-63.4-32.9-179.2175.40000112.2D275 I276 T283 F330 V332D275-V279 WeakPolarHBondContact O-CG2 3.3Å; D275-V279 PolarHBondContact O-N 3.41Å; I276-V279 PolarHBondContact O-N 3.42Å; V279-T283 WeakPolarHBondContact O-CB 3.39Å; V279-T283 PolarHBondContact O-N 3.13Å; V279-T283 PolarHBondContact O-OG1 3.34Å; V279-F330 HydrophobicContact CG1-CE1 3.89Å; V279-F330 HydrophobicContact CG1-CE2 4.37Å; V279-F330 HydrophobicContact CG1-CZ 3.78Å; V279-V332 HydrophobicContact CB-CG2 4.22Å; V279-V332 HydrophobicContact CG1-CG2 4.04Å; V279-V332 HydrophobicContact CG2-CG1 4.28Å; V279-V332 HydrophobicContact CG2-CG2 4.34Å
280F87.9Confident85.4Confident0 Ų068.9 Ų68.90%035%0.349CS..Hα-helixtrans-66.2-39.7172.3-93.7-104.7000113.2L262 L264 I276 Q278 A284 V288 A308 L310 V319 F330L262-F280 HydrophobicContact CD1-CE1 3.96Å; L262-F280 HydrophobicContact CD1-CZ 4.13Å; L264-F280 HydrophobicContact CD1-CE2 3.83Å; L264-F280 HydrophobicContact CD1-CZ 4.34Å; L264-F280 HydrophobicContact CD2-CE2 3.97Å; L264-F280 HydrophobicContact CD2-CZ 4.04Å; L264-F280 HydrophobicContact CG-CE2 4.47Å; I276-F280 HydrophobicContact CG2-CD2 3.9Å; I276-F280 HydrophobicContact CG2-CE2 3.97Å; I276-F280 VanDerWaalsContact O-CD2 3.27Å; I276-F280 WeakPolarHBondContact O-CD2 3.33Å; I276-F280 PolarHBondContact O-N 3.32Å; Q278-F280 VanDerWaalsContact C-N 3.28Å; Q278-F280 PolarHBondContact O-N 3.24Å; F280-A284 PolarHBondContact O-N 3.08Å; F280-V288 HydrophobicContact CB-CG2 3.62Å; F280-V288 HydrophobicContact CD1-CG2 3.95Å; F280-V288 HydrophobicContact CD2-CG2 4.44Å; F280-V288 HydrophobicContact CG-CG2 3.75Å; F280-A308 HydrophobicContact CZ-CB 4.33Å; F280-L310 HydrophobicContact CD1-CD2 3.96Å; F280-L310 HydrophobicContact CE1-CD1 4.14Å; F280-L310 HydrophobicContact CE1-CD2 4.01Å; F280-V319 HydrophobicContact CD1-CG2 4.06Å; F280-V319 HydrophobicContact CE1-CB 4.41Å; F280-V319 HydrophobicContact CE1-CG1 3.87Å; F280-V319 HydrophobicContact CE1-CG2 3.9Å; F280-V319 HydrophobicContact CZ-CG1 4.18Å; F280-F330 HydrophobicContact CD2-CE1 4.09Å; F280-F330 AromaticContact CD2-CZ 3.61Å; F280-F330 HydrophobicContact CD2-CZ 3.61Å; F280-F330 AromaticContact CE2-CE1 3.74Å; F280-F330 HydrophobicContact CE2-CE1 3.74Å; F280-F330 AromaticContact CE2-CZ 3.52Å; F280-F330 HydrophobicContact CE2-CZ 3.52Å; F280-F330 HydrophobicContact CG-CZ 4.32Å; F280-F330 HydrophobicContact CZ-CZ 4.16Å
281Q86.5Confident85.8Confident60 Ų6063.2 Ų63.228%0.2832%0.321SS..Hα-helixtrans-69.8-42.9176.5-179.157.771.900111.4C277 Q278 D285C277-Q281 WeakPolarHBondContact O-CB 3.24Å; C277-Q281 PolarHBondContact O-N 3.39Å; C277-Q281 VanDerWaalsContact O-N 3.09Å; Q278-Q281 PolarHBondContact O-N 2.98Å; Q281-D285 PolarHBondContact NE2-OD1 3.44Å; Q281-D285 WeakPolarHBondContact O-CA 3.49Å; Q281-D285 PolarHBondContact O-N 3.44Å; Q281-D285 VanDerWaalsContact O-N 3.1Å
282D84.2Confident86Confident115 Ų11566.3 Ų66.362%0.61534%0.335SS*.Hα-helixtrans-74.2-34.2-178.6-68.8-15.2000112.8Q278Q278-D282 VanDerWaalsContact CG-OD2 3.29Å; Q278-D282 WeakPolarHBondContact CG-OD2 3.26Å; Q278-D282 PolarHBondContact NE2-OD2 3.45Å; Q278-D282 WeakPolarHBondContact O-CB 3.37Å; Q278-D282 PolarHBondContact O-N 3.05Å
283T80.5Confident86Confident56 Ų5664 Ų6434%0.34432%0.32SS..Hα-helixtrans-86.3-31.7-176.4-53.70000113.5V279 I322 F330V279-T283 WeakPolarHBondContact O-CB 3.39Å; V279-T283 PolarHBondContact O-N 3.13Å; V279-T283 PolarHBondContact O-OG1 3.34Å; T283-I322 HydrophobicContact CG2-CG2 4.39Å; T283-F330 HydrophobicContact CG2-CD2 4.29Å; T283-F330 HydrophobicContact CG2-CE2 4Å
284A74.3Confident85.8Confident18 Ų1862.8 Ų62.815%0.14932%0.315CS..Hα-helixtrans-135.4-2.9-167.600000115.6F280 V286 V319 I322F280-A284 PolarHBondContact O-N 3.08Å; A284-V286 HydrophobicContact CB-CB 4.43Å; A284-V286 HydrophobicContact CB-CG2 3.93Å; A284-V286 PolarHBondContact O-N 2.8Å; A284-V319 HydrophobicContact CB-CG2 3.81Å; A284-I322 HydrophobicContact CB-CD1 3.94Å
285D82.1Confident85.6Confident124 Ų12461.2 Ų61.266%0.66330%0.3SS*.  trans51.342.7-168.7-16825.6000112.6Q281Q281-D285 PolarHBondContact NE2-OD1 3.44Å; Q281-D285 WeakPolarHBondContact O-CA 3.49Å; Q281-D285 PolarHBondContact O-N 3.44Å; Q281-D285 VanDerWaalsContact O-N 3.1Å
286V83.7Confident84.8Confident4 Ų460.7 Ų60.72%0.02430%0.297CS..  trans-116.8113.6178.6-179.60000110.5A284 V288 L310 D315 K318 V319A284-V286 HydrophobicContact CB-CB 4.43Å; A284-V286 HydrophobicContact CB-CG2 3.93Å; A284-V286 PolarHBondContact O-N 2.8Å; V286-V288 PolarHBondContact O-N 3.17Å; V286-L310 HydrophobicContact CG1-CD1 4.28Å; V286-L310 HydrophobicContact CG1-CD2 3.86Å; V286-L310 HydrophobicContact CG1-CG 4.45Å; V286-D315 HydrophobicContact CG1-CB 3.76Å; V286-D315 HydrophobicContact CG2-CB 3.96Å; V286-K318 HydrophobicContact CG2-CD 4.45Å; V286-V319 HydrophobicContact CG2-CG2 4.37Å
287K85.7Confident84Confident156 Ų15667.5 Ų67.568%0.67833%0.329SS*.  trans-71114168.8-66.9-176.9-179.5-175.90110.1P311K287-P311 WeakPolarHBondContact O-CD 3.21Å; K287-P311 VanDerWaalsContact O-CG 3.25Å; K287-P311 WeakPolarHBondContact O-CG 3.5Å
288V87.7Confident83Confident27 Ų2771.8 Ų71.816%0.16435%0.354CS..  trans-63.2135173-174.90000109.2F280 V286 Q290 C291 A308 E309 L310F280-V288 HydrophobicContact CB-CG2 3.62Å; F280-V288 HydrophobicContact CD1-CG2 3.95Å; F280-V288 HydrophobicContact CD2-CG2 4.44Å; F280-V288 HydrophobicContact CG-CG2 3.75Å; V286-V288 PolarHBondContact O-N 3.17Å; V288-Q290 WeakPolarHBondContact CG1-O 3.31Å; V288-C291 HydrophobicContact CG1-CB 4.16Å; V288-A308 HydrophobicContact CG1-CB 4.09Å; V288-E309 WeakPolarHBondContact CG1-O 3.39Å; V288-L310 HydrophobicContact CB-CD2 4.27Å; V288-L310 HydrophobicContact CG1-CD2 4.27Å; V288-L310 HydrophobicContact CG2-CD2 3.95Å
289R88.1Confident82.3Confident169 Ų16970.5 Ų70.564%0.63835%0.354SS*.SBendtrans-80.2-43.8179.7-174.5-169.9-179.4-163.80.7111.4E309 P311R289-E309 WeakPolarHBondContact CA-O 3.48Å; R289-E309 WeakPolarHBondContact CB-O 3.37Å; R289-E309 WeakPolarHBondContact CD-OE1 3.46Å; R289-E309 IonicContact CZ-OE1 2.69Å; R289-E309 PolarHBondContact N-O 2.8Å; R289-E309 IonicContact NE-OE1 3.14Å; R289-E309 IonicContact NH1-OE1 2.68Å; R289-E309 PolarHBondContact NH1-OE1 2.82Å; R289-E309 IonicContact NH1-OE2 2.67Å; R289-P311 HydrophobicContact CB-CG 4.48Å
290Q87.6Confident81.5Confident99 Ų9975.9 Ų75.946%0.46338%0.377SS..EExtended strand (participates in β ladder)trans-153.6136.9171.9-173.7170.8-1.200109.4V288 E309 F346V288-Q290 WeakPolarHBondContact CG1-O 3.31Å; Q290-E309 PolarHBondContact N-O 3.37Å; Q290-E309 PolarHBondContact O-N 2.93Å; Q290-F346 HydrophobicContact CB-CE1 4.45Å; Q290-F346 HydrophobicContact CB-CZ 4.31Å; Q290-F346 HydrophobicContact CG-CE1 3.89Å; Q290-F346 HydrophobicContact CG-CE2 4.33Å; Q290-F346 HydrophobicContact CG-CZ 3.64Å
291C88.5Confident80.7Confident27 Ų2778.3 Ų78.318%0.18240%0.398CS..EExtended strand (participates in β ladder)trans-117156.5171.854.80000110E273 C277 V288 F307E273-C291 VanDerWaalsContact CB-SG 3.6Å; C277-C291 PolarHBondContact SG-SG 2.98Å; V288-C291 HydrophobicContact CG1-CB 4.16Å; C291-F307 CarbonylContact C-O 3.52Å; C291-F307 VanDerWaalsContact CA-O 3.28Å; C291-F307 WeakPolarHBondContact CA-O 3.4Å
292H87.6Confident80.3Confident72 Ų7276 Ų7633%0.33339%0.388SS..EExtended strand (participates in β ladder)trans-153.3117.1169.5-170.451.4000110.3E273 A306 F307 F346 M350E273-H292 IonicContact OE1-ND1 2.83Å; H292-A306 VanDerWaalsContact O-CA 3.23Å; H292-A306 WeakPolarHBondContact O-CA 3.34Å; H292-A306 VanDerWaalsContact O-CB 3.28Å; H292-A306 WeakPolarHBondContact O-CB 3.3Å; H292-F307 PolarHBondContact N-O 2.71Å; H292-F307 PolarHBondContact O-N 2.96Å; H292-F346 HydrophobicContact CB-CE2 4.19Å; H292-F346 HydrophobicContact CB-CZ 4Å; H292-M350 HydrophobicContact CB-CE 3.94Å; H292-M350 VanDerWaalsContact CD2-SD 3.57Å
293V87.6Confident80Confident0 Ų073.4 Ų73.40%037%0.37CS..EExtended strand (participates in β ladder)trans-82.9121.2172.4179.30000108.2E273 I276 R295 A306E273-V293 HydrophobicContact CG-CG2 4.18Å; E273-V293 WeakPolarHBondContact OE1-CB 3.49Å; E273-V293 PolarHBondContact OE1-N 3.05Å; I276-V293 HydrophobicContact CD1-CG2 3.67Å; V293-R295 PolarHBondContact O-N 3.14Å; V293-R295 VanDerWaalsContact O-N 3.15Å; V293-A306 HydrophobicContact CB-CB 4.4Å; V293-A306 HydrophobicContact CG2-CB 4.05Å
294M84.9Confident80.1Confident14 Ų1473 Ų737%0.06937%0.368CS..EExtended strand (participates in β ladder)trans-72.5111.7-179.6-70.9-61.5-54.100109.4R303 F305 F307 L353M294-R303 HydrophobicContact CB-CB 4.46Å; M294-R303 WeakPolarHBondContact O-CB 3.14Å; M294-R303 PolarHBondContact O-N 2.65Å; M294-F305 HydrophobicContact CB-CD1 3.89Å; M294-F305 HydrophobicContact CB-CD2 4.41Å; M294-F305 HydrophobicContact CB-CE1 3.53Å; M294-F305 HydrophobicContact CB-CE2 4.13Å; M294-F305 HydrophobicContact CB-CG 4.32Å; M294-F305 HydrophobicContact CB-CZ 3.69Å; M294-F305 WeakPolarHBondContact CB-O 3.44Å; M294-F305 HydrophobicContact CE-CZ 4.49Å; M294-F305 HydrophobicContact CG-CD1 4.41Å; M294-F305 HydrophobicContact CG-CD2 4.06Å; M294-F305 HydrophobicContact CG-CE1 3.94Å; M294-F305 HydrophobicContact CG-CE2 3.6Å; M294-F305 HydrophobicContact CG-CG 4.47Å; M294-F305 HydrophobicContact CG-CZ 3.54Å; M294-F305 PolarHBondContact N-O 3.13Å; M294-F307 HydrophobicContact CG-CD2 4.1Å; M294-F307 HydrophobicContact CG-CE2 3.77Å; M294-F307 HydrophobicContact SD-CD2 4.39Å; M294-F307 HydrophobicContact SD-CE2 4.16Å; M294-L353 HydrophobicContact CE-CD1 3.86Å; M294-L353 HydrophobicContact CE-CD2 4.32Å; M294-L353 HydrophobicContact CE-CG 4.49Å; M294-L353 HydrophobicContact SD-CD1 3.8Å
295R83.5Confident80.7Confident87 Ų8772.2 Ų72.233%0.32836%0.362SS..EExtended strand (participates in β ladder)trans-103.9156.5173.2-64.2176.8-177.889.8-2.9109.9E273 V293 H300 A301E273-R295 VanDerWaalsContact CD-NH1 3.33Å; E273-R295 IonicContact OE1-CZ 2.93Å; E273-R295 IonicContact OE1-NH1 3.21Å; E273-R295 PolarHBondContact OE1-NH1 2.9Å; E273-R295 IonicContact OE1-NH2 3.19Å; E273-R295 IonicContact OE2-CZ 3.87Å; E273-R295 IonicContact OE2-NH1 3.97Å; E273-R295 PolarHBondContact OE2-NH1 3.39Å; E273-R295 VanDerWaalsContact OE2-NH1 3.07Å; E273-R295 IonicContact OE2-NH2 2.69Å; E273-R295 PolarHBondContact OE2-NH2 2.93Å; V293-R295 PolarHBondContact O-N 3.14Å; V293-R295 VanDerWaalsContact O-N 3.15Å; R295-H300 WeakPolarHBondContact CD-O 3.47Å; R295-A301 CarbonylContact C-O 3.54Å; R295-A301 VanDerWaalsContact CA-O 3.28Å; R295-A301 WeakPolarHBondContact CA-O 3.41Å
296D70.8Confident81.1Confident57 Ų5766.3 Ų66.331%0.30533%0.331SS..  trans-69.4141.2165171.837.7000110V298 T299 H300 A301D296-V298 VanDerWaalsContact C-N 3.33Å; D296-V298 PolarHBondContact OD1-N 3.41Å; D296-T299 WeakPolarHBondContact CB-OG1 3.43Å; D296-T299 VanDerWaalsContact OD2-CB 3.31Å; D296-T299 WeakPolarHBondContact OD2-CB 3.24Å; D296-T299 WeakPolarHBondContact OD2-CG2 3.41Å; D296-T299 PolarHBondContact OD2-N 3.14Å; D296-T299 PolarHBondContact OD2-OG1 3.44Å; D296-H300 WeakPolarHBondContact O-CA 3.3Å; D296-H300 PolarHBondContact O-N 3.27Å; D296-H300 VanDerWaalsContact O-N 3.08Å; D296-A301 PolarHBondContact N-O 3.41Å
297E71.3Confident81.4Confident143 Ų14366.1 Ų66.167%0.66833%0.329SS*.THydrogen-bonded Turntrans-73.1-27.7-178.2-64.2-176.8148.100111.9
298V68.2Low81.7Confident131 Ų13158.7 Ų58.779%0.79430%0.297SS*.THydrogen-bonded Turntrans-91-44.9-175.6-1770000112.3D296D296-V298 VanDerWaalsContact C-N 3.33Å; D296-V298 PolarHBondContact OD1-N 3.41Å
299T71.9Confident81.9Confident94 Ų9458 Ų5858%0.57729%0.292SS*.THydrogen-bonded Turntrans-99.6-8.9-176.462.90000114.4D296 A301D296-T299 WeakPolarHBondContact CB-OG1 3.43Å; D296-T299 VanDerWaalsContact OD2-CB 3.31Å; D296-T299 WeakPolarHBondContact OD2-CB 3.24Å; D296-T299 WeakPolarHBondContact OD2-CG2 3.41Å; D296-T299 PolarHBondContact OD2-N 3.14Å; D296-T299 PolarHBondContact OD2-OG1 3.44Å; T299-A301 PolarHBondContact O-N 3.08Å; T299-A301 WeakPolarHBondContact OG1-CB 3.25Å; T299-A301 PolarHBondContact OG1-N 3.18Å
300H69.6Low82Confident140 Ų14050 Ų5065%0.64826%0.262SS*.  trans54.77.7-167.5-66.3-42000115.6R295 D296 S302R295-H300 WeakPolarHBondContact CD-O 3.47Å; D296-H300 WeakPolarHBondContact O-CA 3.3Å; D296-H300 PolarHBondContact O-N 3.27Å; D296-H300 VanDerWaalsContact O-N 3.08Å; H300-S302 PolarHBondContact O-N 3.24Å
301A70Confident82Confident52 Ų5248.7 Ų48.743%0.4326%0.262SS..  trans-65.9134.1176.900000110.8R295 D296 T299 R303R295-A301 CarbonylContact C-O 3.54Å; R295-A301 VanDerWaalsContact CA-O 3.28Å; R295-A301 WeakPolarHBondContact CA-O 3.41Å; D296-A301 PolarHBondContact N-O 3.41Å; T299-A301 PolarHBondContact O-N 3.08Å; T299-A301 WeakPolarHBondContact OG1-CB 3.25Å; T299-A301 PolarHBondContact OG1-N 3.18Å; A301-R303 PolarHBondContact O-N 2.79Å
302S79.5Confident82.1Confident12 Ų1250.3 Ų50.38%0.08427%0.271CS..EExtended strand (participates in β ladder)trans-61.2127.4171.6162.80000110.1D268 A269 H300 C304D268-S302 PolarHBondContact O-OG 3.03Å; A269-S302 WeakPolarHBondContact O-CB 3.33Å; H300-S302 PolarHBondContact O-N 3.24Å; S302-C304 PolarHBondContact O-N 2.6Å; S302-C304 VanDerWaalsContact O-N 3.1Å; S302-C304 PolarHBondContact OG-N 3.5Å; S302-C304 VanDerWaalsContact OG-N 3.13Å
303R77.2Confident82.1Confident59 Ų5950.2 Ų50.222%0.22328%0.276CS..EExtended strand (participates in β ladder)trans-74.511.7173.6-63.6167.365.9-179.81.2111.9S247 V248 M294 A301 F305S247-R303 PolarHBondContact O-NH2 2.69Å; V248-R303 HydrophobicContact CG1-CB 4.22Å; M294-R303 HydrophobicContact CB-CB 4.46Å; M294-R303 WeakPolarHBondContact O-CB 3.14Å; M294-R303 PolarHBondContact O-N 2.65Å; A301-R303 PolarHBondContact O-N 2.79Å; R303-F305 HydrophobicContact CB-CD1 3.74Å; R303-F305 HydrophobicContact CB-CE1 3.66Å; R303-F305 PolarHBondContact O-N 2.93Å
304C82.2Confident82.2Confident47 Ų4753.2 Ų53.232%0.31830%0.3SS..EExtended strand (participates in β ladder)trans63.620.6176.9-56.20000114.5R265 C266 L267 S302R265-C304 CarbonylContact C-O 3.59Å; C266-C304 PolarHBondContact N-O 2.76Å; L267-C304 PolarHBondContact N-O 3.08Å; L267-C304 WeakPolarHBondContact O-CB 3.44Å; S302-C304 PolarHBondContact O-N 2.6Å; S302-C304 VanDerWaalsContact O-N 3.1Å; S302-C304 PolarHBondContact OG-N 3.5Å; S302-C304 VanDerWaalsContact OG-N 3.13Å
305F87.5Confident82.4Confident2 Ų253.7 Ų53.71%0.00930%0.303CS..EExtended strand (participates in β ladder)trans-140.3154.6171.281.3-72.9000112.7V248 L264 R265 M294 R303 F307V248-F305 WeakPolarHBondContact O-CD1 3.25Å; V248-F305 WeakPolarHBondContact O-CE1 3.37Å; L264-F305 CarbonylContact O-C 3.57Å; L264-F305 WeakPolarHBondContact O-CA 3.35Å; L264-F305 VanDerWaalsContact O-CB 3.25Å; L264-F305 WeakPolarHBondContact O-CB 3.37Å; R265-F305 HydrophobicContact CG-CB 4.1Å; M294-F305 HydrophobicContact CB-CD1 3.89Å; M294-F305 HydrophobicContact CB-CD2 4.41Å; M294-F305 HydrophobicContact CB-CE1 3.53Å; M294-F305 HydrophobicContact CB-CE2 4.13Å; M294-F305 HydrophobicContact CB-CG 4.32Å; M294-F305 HydrophobicContact CB-CZ 3.69Å; M294-F305 WeakPolarHBondContact CB-O 3.44Å; M294-F305 HydrophobicContact CE-CZ 4.49Å; M294-F305 HydrophobicContact CG-CD1 4.41Å; M294-F305 HydrophobicContact CG-CD2 4.06Å; M294-F305 HydrophobicContact CG-CE1 3.94Å; M294-F305 HydrophobicContact CG-CE2 3.6Å; M294-F305 HydrophobicContact CG-CG 4.47Å; M294-F305 HydrophobicContact CG-CZ 3.54Å; M294-F305 PolarHBondContact N-O 3.13Å; R303-F305 HydrophobicContact CB-CD1 3.74Å; R303-F305 HydrophobicContact CB-CE1 3.66Å; R303-F305 PolarHBondContact O-N 2.93Å; F305-F307 AromaticContact CD2-CE2 3.97Å; F305-F307 HydrophobicContact CD2-CE2 3.97Å; F305-F307 AromaticContact CD2-CZ 3.99Å; F305-F307 HydrophobicContact CD2-CZ 3.99Å; F305-F307 AromaticContact CE2-CE2 3.55Å; F305-F307 HydrophobicContact CE2-CE2 3.55Å; F305-F307 AromaticContact CE2-CZ 3.61Å; F305-F307 HydrophobicContact CE2-CZ 3.61Å
306A89.2Confident82.7Confident1 Ų149.5 Ų49.51%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-146.6163.4-17900000111.6L264 L267 I276 H292 V293L264-A306 HydrophobicContact CB-CB 4.39Å; L264-A306 PolarHBondContact N-O 2.67Å; L264-A306 PolarHBondContact O-N 3.42Å; L267-A306 HydrophobicContact CD1-CB 3.35Å; I276-A306 HydrophobicContact CD1-CB 3.85Å; H292-A306 VanDerWaalsContact O-CA 3.23Å; H292-A306 WeakPolarHBondContact O-CA 3.34Å; H292-A306 VanDerWaalsContact O-CB 3.28Å; H292-A306 WeakPolarHBondContact O-CB 3.3Å; V293-A306 HydrophobicContact CB-CB 4.4Å; V293-A306 HydrophobicContact CG2-CB 4.05Å
307F91.3Very high83.5Confident0 Ų053.1 Ų53.10%030%0.298CS..EExtended strand (participates in β ladder)trans-114.2137.1171.4-60.5-81.6000110.5L253 L262 V263 C291 H292 M294 F305 F346 I349 M350 L353L253-F307 HydrophobicContact CB-CE1 4.29Å; L253-F307 HydrophobicContact CB-CZ 4.33Å; L253-F307 HydrophobicContact CD1-CE1 4.31Å; L253-F307 HydrophobicContact CD1-CZ 3.6Å; L262-F307 WeakPolarHBondContact O-CA 3.44Å; V263-F307 HydrophobicContact CB-CE1 4.32Å; V263-F307 HydrophobicContact CG1-CD1 4.38Å; V263-F307 HydrophobicContact CG1-CE1 3.88Å; V263-F307 HydrophobicContact CG1-CZ 4.45Å; V263-F307 HydrophobicContact CG2-CD1 4.05Å; V263-F307 HydrophobicContact CG2-CE1 3.76Å; C291-F307 CarbonylContact C-O 3.52Å; C291-F307 VanDerWaalsContact CA-O 3.28Å; C291-F307 WeakPolarHBondContact CA-O 3.4Å; H292-F307 PolarHBondContact N-O 2.71Å; H292-F307 PolarHBondContact O-N 2.96Å; M294-F307 HydrophobicContact CG-CD2 4.1Å; M294-F307 HydrophobicContact CG-CE2 3.77Å; M294-F307 HydrophobicContact SD-CD2 4.39Å; M294-F307 HydrophobicContact SD-CE2 4.16Å; F305-F307 AromaticContact CD2-CE2 3.97Å; F305-F307 HydrophobicContact CD2-CE2 3.97Å; F305-F307 AromaticContact CD2-CZ 3.99Å; F305-F307 HydrophobicContact CD2-CZ 3.99Å; F305-F307 AromaticContact CE2-CE2 3.55Å; F305-F307 HydrophobicContact CE2-CE2 3.55Å; F305-F307 AromaticContact CE2-CZ 3.61Å; F305-F307 HydrophobicContact CE2-CZ 3.61Å; F307-F346 HydrophobicContact CB-CD2 3.87Å; F307-F346 HydrophobicContact CB-CE2 3.85Å; F307-I349 HydrophobicContact CD1-CD1 4.16Å; F307-I349 HydrophobicContact CD1-CG2 4.19Å; F307-I349 HydrophobicContact CD2-CG2 4.22Å; F307-I349 HydrophobicContact CE1-CD1 4.02Å; F307-I349 HydrophobicContact CE1-CG2 3.81Å; F307-I349 HydrophobicContact CE2-CG2 3.83Å; F307-I349 HydrophobicContact CG-CG2 4.38Å; F307-I349 HydrophobicContact CZ-CG2 3.63Å; F307-M350 HydrophobicContact CB-CE 4.07Å; F307-M350 HydrophobicContact CD2-CE 3.53Å; F307-M350 HydrophobicContact CE2-CE 4.32Å; F307-M350 HydrophobicContact CG-CE 4.03Å; F307-L353 HydrophobicContact CE2-CD1 3.9Å; F307-L353 HydrophobicContact CZ-CD1 4.44Å
308A91.4Very high84.2Confident0 Ų051.2 Ų51.20%029%0.287CS..EExtended strand (participates in β ladder)trans-123.4112.1172.500000109.4T261 L262 L264 F280 V288T261-A308 WeakPolarHBondContact CA-O 3.49Å; L262-A308 PolarHBondContact N-O 3.11Å; L262-A308 PolarHBondContact O-N 2.59Å; L264-A308 HydrophobicContact CD1-CB 4.43Å; F280-A308 HydrophobicContact CZ-CB 4.33Å; V288-A308 HydrophobicContact CG1-CB 4.09Å
309E92.6Very high85.1Confident12 Ų1245 Ų456%0.05625%0.249CC..EExtended strand (participates in β ladder)trans-81.4127.1165.6-162.9-170.2151.300109.2N260 V288 R289 Q290 F346N260-E309 VanDerWaalsContact ND2-CG 3.25Å; N260-E309 WeakPolarHBondContact ND2-CG 3.5Å; N260-E309 PolarHBondContact ND2-OE1 3.14Å; V288-E309 WeakPolarHBondContact CG1-O 3.39Å; R289-E309 WeakPolarHBondContact CA-O 3.48Å; R289-E309 WeakPolarHBondContact CB-O 3.37Å; R289-E309 WeakPolarHBondContact CD-OE1 3.46Å; R289-E309 IonicContact CZ-OE1 2.69Å; R289-E309 PolarHBondContact N-O 2.8Å; R289-E309 IonicContact NE-OE1 3.14Å; R289-E309 IonicContact NH1-OE1 2.68Å; R289-E309 PolarHBondContact NH1-OE1 2.82Å; R289-E309 IonicContact NH1-OE2 2.67Å; Q290-E309 PolarHBondContact N-O 3.37Å; Q290-E309 PolarHBondContact O-N 2.93Å; E309-F346 HydrophobicContact CB-CB 3.96Å; E309-F346 HydrophobicContact CB-CD2 4.07Å; E309-F346 HydrophobicContact CB-CG 4.07Å; E309-F346 HydrophobicContact CG-CB 4.18Å
310L90.3Very high85.7Confident0 Ų042.2 Ų42.20%023%0.23CC..  trans-104.8154.1176.2-57.5-178.7000110.9N260 L262 F280 V286 V288 T312 D315 A316 V319N260-L310 PolarHBondContact ND2-O 3.23Å; N260-L310 PolarHBondContact O-N 3.27Å; L262-L310 HydrophobicContact CD1-CD1 3.75Å; L262-L310 HydrophobicContact CG-CD1 4.35Å; F280-L310 HydrophobicContact CD1-CD2 3.96Å; F280-L310 HydrophobicContact CE1-CD1 4.14Å; F280-L310 HydrophobicContact CE1-CD2 4.01Å; V286-L310 HydrophobicContact CG1-CD1 4.28Å; V286-L310 HydrophobicContact CG1-CD2 3.86Å; V286-L310 HydrophobicContact CG1-CG 4.45Å; V288-L310 HydrophobicContact CB-CD2 4.27Å; V288-L310 HydrophobicContact CG1-CD2 4.27Å; V288-L310 HydrophobicContact CG2-CD2 3.95Å; L310-T312 VanDerWaalsContact C-N 3.26Å; L310-T312 PolarHBondContact O-N 3.32Å; L310-D315 HydrophobicContact CB-CB 4.49Å; L310-A316 HydrophobicContact CD1-CB 3.9Å; L310-V319 HydrophobicContact CD1-CG2 4.37Å
311P87.9Confident86.4Confident72 Ų7237.8 Ų37.847%0.46821%0.211SC..SBendtrans-60.4-32.4-176-25.235.2000113.8K287 R289K287-P311 WeakPolarHBondContact O-CD 3.21Å; K287-P311 VanDerWaalsContact O-CG 3.25Å; K287-P311 WeakPolarHBondContact O-CG 3.5Å; R289-P311 HydrophobicContact CB-CG 4.48Å
312T89Confident87Confident62 Ų6237.1 Ų37.138%0.3820%0.2SC..  trans-137.8158.6176.782.90000112.6L310 A314 D315 A316L310-T312 VanDerWaalsContact C-N 3.26Å; L310-T312 PolarHBondContact O-N 3.32Å; T312-A314 PolarHBondContact O-N 2.93Å; T312-A314 PolarHBondContact OG1-N 3.27Å; T312-D315 WeakPolarHBondContact CB-OD2 3.25Å; T312-D315 WeakPolarHBondContact CG2-OD2 3.41Å; T312-D315 PolarHBondContact N-OD2 3.03Å; T312-D315 PolarHBondContact O-N 2.85Å; T312-D315 VanDerWaalsContact OG1-CG 3.22Å; T312-D315 PolarHBondContact OG1-N 3.48Å; T312-D315 VanDerWaalsContact OG1-N 3.09Å; T312-D315 PolarHBondContact OG1-OD2 3.43Å; T312-A316 PolarHBondContact O-N 3.14Å
313V89.1Confident87.1Confident70 Ų7038 Ų3842%0.42421%0.205SC..Hα-helixtrans-65.5-27.5170.7-172.60000111.3P258 N260 D315 A316 Y317P258-V313 HydrophobicContact CB-CG1 4.37Å; N260-V313 HydrophobicContact CB-CG2 4.06Å; V313-D315 VanDerWaalsContact C-N 3.35Å; V313-A316 PolarHBondContact O-N 3.5Å; V313-Y317 PolarHBondContact O-N 3.1Å
314A88.4Confident87.1Confident63 Ų6340 Ų4052%0.52122%0.22SC..Hα-helixtrans-67.8-35.6176.800000111.7T312 Y317 K318T312-A314 PolarHBondContact O-N 2.93Å; T312-A314 PolarHBondContact OG1-N 3.27Å; A314-Y317 WeakPolarHBondContact O-CB 3.34Å; A314-Y317 PolarHBondContact O-N 3.04Å; A314-K318 WeakPolarHBondContact O-CG 3.36Å; A314-K318 PolarHBondContact O-N 2.97Å
315D89.6Confident86.4Confident23 Ų2344.5 Ų44.512%0.12323%0.234CC..Hα-helixtrans-70.9-38.2175.9-56.3-53000111.8V286 L310 T312 V313 Y317 K318 V319V286-D315 HydrophobicContact CG1-CB 3.76Å; V286-D315 HydrophobicContact CG2-CB 3.96Å; L310-D315 HydrophobicContact CB-CB 4.49Å; T312-D315 WeakPolarHBondContact CB-OD2 3.25Å; T312-D315 WeakPolarHBondContact CG2-OD2 3.41Å; T312-D315 PolarHBondContact N-OD2 3.03Å; T312-D315 PolarHBondContact O-N 2.85Å; T312-D315 VanDerWaalsContact OG1-CG 3.22Å; T312-D315 PolarHBondContact OG1-N 3.48Å; T312-D315 VanDerWaalsContact OG1-N 3.09Å; T312-D315 PolarHBondContact OG1-OD2 3.43Å; V313-D315 VanDerWaalsContact C-N 3.35Å; D315-Y317 VanDerWaalsContact C-N 3.26Å; D315-Y317 PolarHBondContact O-N 2.62Å; D315-K318 WeakPolarHBondContact O-CB 3.47Å; D315-K318 PolarHBondContact O-N 3.37Å; D315-K318 WeakPolarHBondContact OD1-CE 3.48Å; D315-K318 IonicContact OD1-NZ 3.37Å; D315-K318 PolarHBondContact OD1-NZ 2.93Å; D315-V319 PolarHBondContact O-N 2.99Å; D315-V319 VanDerWaalsContact O-N 3.13Å
316A89.1Confident85Confident0 Ų049.5 Ų49.50%026%0.258CS..Hα-helixtrans-60.8-36.9169.200000112.3C259 L262 L310 T312 V313 M320 Y341C259-A316 WeakPolarHBondContact O-CB 3.44Å; L262-A316 HydrophobicContact CD1-CB 4.46Å; L262-A316 HydrophobicContact CD2-CB 4.21Å; L262-A316 HydrophobicContact CG-CB 4.26Å; L310-A316 HydrophobicContact CD1-CB 3.9Å; T312-A316 PolarHBondContact O-N 3.14Å; V313-A316 PolarHBondContact O-N 3.5Å; A316-M320 WeakPolarHBondContact O-CB 3.4Å; A316-M320 PolarHBondContact O-N 3Å; A316-M320 VanDerWaalsContact O-N 3.08Å; A316-Y341 HydrophobicContact CB-CE1 4.1Å
317Y88.3Confident83.3Confident133 Ų13358.2 Ų58.252%0.52230%0.296SS..Hα-helixtrans-66.2-43.9173.1-164.2-88.2000112.1V313 A314 D315 V319 M320 D321 Y341V313-Y317 PolarHBondContact O-N 3.1Å; A314-Y317 WeakPolarHBondContact O-CB 3.34Å; A314-Y317 PolarHBondContact O-N 3.04Å; D315-Y317 VanDerWaalsContact C-N 3.26Å; D315-Y317 PolarHBondContact O-N 2.62Å; Y317-V319 PolarHBondContact O-N 3.03Å; Y317-M320 PolarHBondContact O-N 3.13Å; Y317-D321 HydrophobicContact CD1-CB 4.35Å; Y317-D321 HydrophobicContact CE1-CB 4.28Å; Y317-D321 WeakPolarHBondContact O-CB 3.24Å; Y317-D321 PolarHBondContact O-N 3.04Å; Y317-Y341 WeakPolarHBondContact CD2-OH 3.31Å
318K86Confident81.7Confident102 Ų10264.1 Ų64.144%0.44332%0.321SS..Hα-helixtrans-54.1-52.3175.1-66.9171-170.3164.30111.7V286 A314 D315 M320 D321 I322V286-K318 HydrophobicContact CG2-CD 4.45Å; A314-K318 WeakPolarHBondContact O-CG 3.36Å; A314-K318 PolarHBondContact O-N 2.97Å; D315-K318 WeakPolarHBondContact O-CB 3.47Å; D315-K318 PolarHBondContact O-N 3.37Å; D315-K318 WeakPolarHBondContact OD1-CE 3.48Å; D315-K318 IonicContact OD1-NZ 3.37Å; D315-K318 PolarHBondContact OD1-NZ 2.93Å; K318-M320 VanDerWaalsContact C-N 3.34Å; K318-M320 PolarHBondContact O-N 3Å; K318-D321 PolarHBondContact O-N 3.09Å; K318-I322 WeakPolarHBondContact O-CG1 3.25Å; K318-I322 PolarHBondContact O-N 3.27Å
319V86.5Confident80.3Confident1 Ų169.6 Ų69.61%0.00635%0.35CS..Hα-helixtrans-60-46.2-179.3175.40000110.4L262 F280 A284 V286 L310 D315 Y317 D321 I322 V323 F330 V339L262-V319 HydrophobicContact CD1-CB 4.13Å; L262-V319 HydrophobicContact CD1-CG1 3.96Å; F280-V319 HydrophobicContact CD1-CG2 4.06Å; F280-V319 HydrophobicContact CE1-CB 4.41Å; F280-V319 HydrophobicContact CE1-CG1 3.87Å; F280-V319 HydrophobicContact CE1-CG2 3.9Å; F280-V319 HydrophobicContact CZ-CG1 4.18Å; A284-V319 HydrophobicContact CB-CG2 3.81Å; V286-V319 HydrophobicContact CG2-CG2 4.37Å; L310-V319 HydrophobicContact CD1-CG2 4.37Å; D315-V319 PolarHBondContact O-N 2.99Å; D315-V319 VanDerWaalsContact O-N 3.13Å; Y317-V319 PolarHBondContact O-N 3.03Å; V319-D321 VanDerWaalsContact C-N 3.32Å; V319-D321 PolarHBondContact O-N 2.99Å; V319-I322 PolarHBondContact O-N 3.5Å; V319-V323 WeakPolarHBondContact O-CG2 3.1Å; V319-V323 PolarHBondContact O-N 3.14Å; V319-V323 VanDerWaalsContact O-N 3.16Å; V319-F330 HydrophobicContact CG1-CE2 4.29Å; V319-V339 HydrophobicContact CG1-CG1 4.39Å
320M85.6Confident79.4Confident36 Ų3669.4 Ų69.418%0.17735%0.349CS..Hα-helixtrans-65.9-33.5178.3-167.262.814900112.6A316 Y317 K318 N324 Y341A316-M320 WeakPolarHBondContact O-CB 3.4Å; A316-M320 PolarHBondContact O-N 3Å; A316-M320 VanDerWaalsContact O-N 3.08Å; Y317-M320 PolarHBondContact O-N 3.13Å; K318-M320 VanDerWaalsContact C-N 3.34Å; K318-M320 PolarHBondContact O-N 3Å; M320-N324 WeakPolarHBondContact O-CB 3.28Å; M320-N324 PolarHBondContact O-N 3.5Å; M320-N324 VanDerWaalsContact O-N 3.09Å; M320-N324 PolarHBondContact O-ND2 2.92Å; M320-N324 PolarHBondContact SD-ND2 3.32Å; M320-N324 VanDerWaalsContact SD-ND2 3.44Å; M320-Y341 HydrophobicContact CB-CE2 4.42Å; M320-Y341 HydrophobicContact CE-CD2 3.96Å; M320-Y341 HydrophobicContact CE-CE2 3.99Å; M320-Y341 HydrophobicContact CG-CE2 3.81Å
321D84.7Confident78.8Confident46 Ų4674.1 Ų74.125%0.24637%0.371CS..Hα-helixtrans-72.1-41.9179.2-162.449.8000111.6Y317 K318 V319 N324 K325Y317-D321 HydrophobicContact CD1-CB 4.35Å; Y317-D321 HydrophobicContact CE1-CB 4.28Å; Y317-D321 WeakPolarHBondContact O-CB 3.24Å; Y317-D321 PolarHBondContact O-N 3.04Å; K318-D321 PolarHBondContact O-N 3.09Å; V319-D321 VanDerWaalsContact C-N 3.32Å; V319-D321 PolarHBondContact O-N 2.99Å; D321-N324 PolarHBondContact O-N 2.96Å; D321-K325 VanDerWaalsContact O-CB 3.28Å; D321-K325 WeakPolarHBondContact O-CB 3.28Å; D321-K325 PolarHBondContact O-N 3.14Å; D321-K325 VanDerWaalsContact OD1-CD 3.29Å; D321-K325 WeakPolarHBondContact OD1-CD 3.36Å; D321-K325 WeakPolarHBondContact OD1-CE 3.4Å; D321-K325 IonicContact OD1-NZ 3.56Å; D321-K325 PolarHBondContact OD1-NZ 3.33Å; D321-K325 IonicContact OD2-NZ 2.74Å; D321-K325 PolarHBondContact OD2-NZ 3.01Å
322I82.4Confident78.3Confident39 Ų3970.8 Ų70.820%0.235%0.349CS..Hα-helixtrans-56.9-51.6172.2-67.1161.9000110.2T283 A284 K318 V319 N324 E326T283-I322 HydrophobicContact CG2-CG2 4.39Å; A284-I322 HydrophobicContact CB-CD1 3.94Å; K318-I322 WeakPolarHBondContact O-CG1 3.25Å; K318-I322 PolarHBondContact O-N 3.27Å; V319-I322 PolarHBondContact O-N 3.5Å; I322-N324 VanDerWaalsContact C-N 3.3Å; I322-N324 PolarHBondContact O-N 3.43Å; I322-E326 PolarHBondContact O-N 3Å; I322-E326 VanDerWaalsContact O-N 3.08Å
323V80.5Confident77.4Confident31 Ų3171.2 Ų71.219%0.18837%0.366CS..Hα-helixtrans-63-32.6-178.6172.60000112.8V319 F330 V339V319-V323 WeakPolarHBondContact O-CG2 3.1Å; V319-V323 PolarHBondContact O-N 3.14Å; V319-V323 VanDerWaalsContact O-N 3.16Å; V323-F330 HydrophobicContact CG2-CB 4Å; V323-F330 HydrophobicContact CG2-CD2 3.8Å; V323-F330 HydrophobicContact CG2-CG 4.24Å; V323-V339 HydrophobicContact CG2-CG2 4.12Å
324N77.1Confident76.6Confident101 Ų10170.7 Ų70.754%0.5438%0.375SS..Hα-helixtrans-92.1-27-179.3-75.4-77.9000114.6M320 D321 I322M320-N324 WeakPolarHBondContact O-CB 3.28Å; M320-N324 PolarHBondContact O-N 3.5Å; M320-N324 VanDerWaalsContact O-N 3.09Å; M320-N324 PolarHBondContact O-ND2 2.92Å; M320-N324 PolarHBondContact SD-ND2 3.32Å; M320-N324 VanDerWaalsContact SD-ND2 3.44Å; D321-N324 PolarHBondContact O-N 2.96Å; I322-N324 VanDerWaalsContact C-N 3.3Å; I322-N324 PolarHBondContact O-N 3.43Å
325K67.2Low75.7Confident140 Ų14071.7 Ų71.761%0.60937%0.368SS*.Hα-helixtrans-93.3-43.6-178.1-74.5-179.2177.3153.30114.1D321 F327D321-K325 VanDerWaalsContact O-CB 3.28Å; D321-K325 WeakPolarHBondContact O-CB 3.28Å; D321-K325 PolarHBondContact O-N 3.14Å; D321-K325 VanDerWaalsContact OD1-CD 3.29Å; D321-K325 WeakPolarHBondContact OD1-CD 3.36Å; D321-K325 WeakPolarHBondContact OD1-CE 3.4Å; D321-K325 IonicContact OD1-NZ 3.56Å; D321-K325 PolarHBondContact OD1-NZ 3.33Å; D321-K325 IonicContact OD2-NZ 2.74Å; D321-K325 PolarHBondContact OD2-NZ 3.01Å; K325-F327 VanDerWaalsContact C-N 3.28Å; K325-F327 PolarHBondContact O-N 3.32Å
326E59.5Low75.2Confident108 Ų10872.9 Ų72.951%0.50538%0.381SS..SBendtrans-80.4-10.5-173.5-61.6-160.3153.100113.1I322 K328I322-E326 PolarHBondContact O-N 3Å; I322-E326 VanDerWaalsContact O-N 3.08Å; E326-K328 HydrophobicContact CB-CB 4.37Å; E326-K328 HydrophobicContact CB-CG 4.22Å; E326-K328 PolarHBondContact O-N 3Å; E326-K328 VanDerWaalsContact OE2-CD 3.26Å; E326-K328 WeakPolarHBondContact OE2-CD 3.41Å; E326-K328 WeakPolarHBondContact OE2-CE 3.29Å; E326-K328 IonicContact OE2-NZ 3.5Å; E326-K328 PolarHBondContact OE2-NZ 2.86Å
327F53.4Low74.9Confident183 Ų18373.3 Ų73.380%0.80338%0.384SS*.  trans54.411.5-167.1-71.7-91.9000114.4K325 L329K325-F327 VanDerWaalsContact C-N 3.28Å; K325-F327 PolarHBondContact O-N 3.32Å; F327-L329 PolarHBondContact O-N 2.7Å
328K58.2Low74.7Confident124 Ų12468.7 Ų68.754%0.53937%0.369SS..  trans-58.8124.1167.8-84.2-175.2-173.5143.40109.3E326 F330E326-K328 HydrophobicContact CB-CB 4.37Å; E326-K328 HydrophobicContact CB-CG 4.22Å; E326-K328 PolarHBondContact O-N 3Å; E326-K328 VanDerWaalsContact OE2-CD 3.26Å; E326-K328 WeakPolarHBondContact OE2-CD 3.41Å; E326-K328 WeakPolarHBondContact OE2-CE 3.29Å; E326-K328 IonicContact OE2-NZ 3.5Å; E326-K328 PolarHBondContact OE2-NZ 2.86Å; K328-F330 PolarHBondContact O-N 3.15Å
329L61.5Low74.8Confident115 Ų11564.2 Ų64.260%0.60235%0.35SS*.  trans-62.5127.9163.1-61.9169.9000107.3F327 E331 A336F327-L329 PolarHBondContact O-N 2.7Å; L329-E331 VanDerWaalsContact C-N 3.31Å; L329-E331 HydrophobicContact CB-CG 3.95Å; L329-E331 PolarHBondContact O-N 2.82Å; L329-A336 HydrophobicContact CB-CB 3.94Å; L329-A336 HydrophobicContact CD1-CB 4.27Å; L329-A336 HydrophobicContact CD2-CB 4.05Å; L329-A336 HydrophobicContact CG-CB 4.3Å
330F73.2Confident74.9Confident9 Ų964.8 Ų64.84%0.03935%0.354CS..EExtended strand (participates in β ladder)trans-77.587.5175.9-166.3-91.5000108.1V279 F280 T283 V319 V323 K328 V332 V337 V339V279-F330 HydrophobicContact CG1-CE1 3.89Å; V279-F330 HydrophobicContact CG1-CE2 4.37Å; V279-F330 HydrophobicContact CG1-CZ 3.78Å; F280-F330 HydrophobicContact CD2-CE1 4.09Å; F280-F330 AromaticContact CD2-CZ 3.61Å; F280-F330 HydrophobicContact CD2-CZ 3.61Å; F280-F330 AromaticContact CE2-CE1 3.74Å; F280-F330 HydrophobicContact CE2-CE1 3.74Å; F280-F330 AromaticContact CE2-CZ 3.52Å; F280-F330 HydrophobicContact CE2-CZ 3.52Å; F280-F330 HydrophobicContact CG-CZ 4.32Å; F280-F330 HydrophobicContact CZ-CZ 4.16Å; T283-F330 HydrophobicContact CG2-CD2 4.29Å; T283-F330 HydrophobicContact CG2-CE2 4Å; V319-F330 HydrophobicContact CG1-CE2 4.29Å; V323-F330 HydrophobicContact CG2-CB 4Å; V323-F330 HydrophobicContact CG2-CD2 3.8Å; V323-F330 HydrophobicContact CG2-CG 4.24Å; K328-F330 PolarHBondContact O-N 3.15Å; F330-V332 HydrophobicContact CD1-CG2 3.97Å; F330-V332 HydrophobicContact CE1-CG2 3.77Å; F330-V337 HydrophobicContact CD1-CB 4.24Å; F330-V337 WeakPolarHBondContact O-CB 3.19Å; F330-V337 PolarHBondContact O-N 3.31Å; F330-V339 HydrophobicContact CB-CG2 3.98Å; F330-V339 HydrophobicContact CD1-CG2 3.93Å; F330-V339 HydrophobicContact CD2-CG2 4.32Å; F330-V339 HydrophobicContact CG-CG2 3.8Å
331E77.8Confident75.2Confident99 Ų9964.1 Ų64.146%0.46335%0.35SS..EExtended strand (participates in β ladder)trans-88.3117.5-172.2-73.6176.9-163.100111.6L329 K335 A336L329-E331 VanDerWaalsContact C-N 3.31Å; L329-E331 HydrophobicContact CB-CG 3.95Å; L329-E331 PolarHBondContact O-N 2.82Å; E331-K335 WeakPolarHBondContact CA-O 3.31Å; E331-A336 HydrophobicContact CG-CB 4.42Å
332V77.9Confident75.4Confident1 Ų161.9 Ų61.91%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-111.6122170.4-173.40000107.2L267 T271 D275 I276 V279 F330 G334 K335 V337L267-V332 HydrophobicContact CD2-CB 4.37Å; L267-V332 HydrophobicContact CD2-CG2 4.42Å; T271-V332 HydrophobicContact CG2-CG1 3.56Å; D275-V332 HydrophobicContact CB-CG1 4.11Å; I276-V332 HydrophobicContact CG1-CG1 4.28Å; V279-V332 HydrophobicContact CB-CG2 4.22Å; V279-V332 HydrophobicContact CG1-CG2 4.04Å; V279-V332 HydrophobicContact CG2-CG1 4.28Å; V279-V332 HydrophobicContact CG2-CG2 4.34Å; F330-V332 HydrophobicContact CD1-CG2 3.97Å; F330-V332 HydrophobicContact CE1-CG2 3.77Å; V332-G334 PolarHBondContact O-N 3.22Å; V332-K335 PolarHBondContact N-O 2.79Å; V332-K335 PolarHBondContact O-N 2.91Å; V332-K335 VanDerWaalsContact O-N 3.08Å; V332-V337 HydrophobicContact CB-CG2 3.78Å; V332-V337 HydrophobicContact CG2-CG2 3.65Å
333G70.1Confident75.4Confident71 Ų7166 Ų6673%0.73235%0.354SS*.THydrogen-bonded Turntrans59.327.6-173.600000114.4K335G333-K335 VanDerWaalsContact C-N 3.29Å; G333-K335 PolarHBondContact O-N 2.78Å
334G70.9Confident75.5Confident60 Ų6068.2 Ų68.262%0.61937%0.365SS*.THydrogen-bonded Turntrans74.811-175.700000115V332V332-G334 PolarHBondContact O-N 3.22Å
335K70.8Confident75.9Confident84 Ų8466.5 Ų66.537%0.36536%0.358SS..EExtended strand (participates in β ladder)trans-110.2130.8172.5-76.3176.6174.1167.10110.7D268 E331 V332 G333 V337D268-K335 HydrophobicContact CB-CD 3.94Å; D268-K335 IonicContact OD1-NZ 3.15Å; D268-K335 PolarHBondContact OD1-NZ 2.99Å; D268-K335 WeakPolarHBondContact OD2-CE 3.17Å; D268-K335 IonicContact OD2-NZ 2.62Å; D268-K335 PolarHBondContact OD2-NZ 3.16Å; E331-K335 WeakPolarHBondContact CA-O 3.31Å; V332-K335 PolarHBondContact N-O 2.79Å; V332-K335 PolarHBondContact O-N 2.91Å; V332-K335 VanDerWaalsContact O-N 3.08Å; G333-K335 VanDerWaalsContact C-N 3.29Å; G333-K335 PolarHBondContact O-N 2.78Å; K335-V337 WeakPolarHBondContact O-CG2 3.39Å; K335-V337 PolarHBondContact O-N 2.94Å
336A78.7Confident76.7Confident48 Ų4860 Ų6040%0.39733%0.33SS..EExtended strand (participates in β ladder)trans-71.7106-17900000112L329 E331L329-A336 HydrophobicContact CB-CB 3.94Å; L329-A336 HydrophobicContact CD1-CB 4.27Å; L329-A336 HydrophobicContact CD2-CB 4.05Å; L329-A336 HydrophobicContact CG-CB 4.3Å; E331-A336 HydrophobicContact CG-CB 4.42Å
337V83.1Confident77.8Confident9 Ų959.9 Ų59.96%0.05533%0.333CS..EExtended strand (participates in β ladder)trans-85.7142.6-179.7-175.40000110.4L264 R265 L267 F330 V332 K335L264-V337 HydrophobicContact CB-CG1 3.93Å; L264-V337 HydrophobicContact CD2-CG1 4.11Å; R265-V337 VanDerWaalsContact O-CG1 3.29Å; R265-V337 WeakPolarHBondContact O-CG1 3.49Å; L267-V337 HydrophobicContact CD2-CB 4.45Å; L267-V337 HydrophobicContact CD2-CG1 3.85Å; L267-V337 HydrophobicContact CD2-CG2 3.65Å; L267-V337 HydrophobicContact CG-CG1 4.17Å; L267-V337 HydrophobicContact CG-CG2 4.44Å; F330-V337 HydrophobicContact CD1-CB 4.24Å; F330-V337 WeakPolarHBondContact O-CB 3.19Å; F330-V337 PolarHBondContact O-N 3.31Å; V332-V337 HydrophobicContact CB-CG2 3.78Å; V332-V337 HydrophobicContact CG2-CG2 3.65Å; K335-V337 WeakPolarHBondContact O-CG2 3.39Å; K335-V337 PolarHBondContact O-N 2.94Å
338T84.5Confident79.2Confident36 Ų3653.8 Ų53.822%0.22131%0.311CS..EExtended strand (participates in β ladder)trans-94.4110.1171.7-550000110.5R265R265-T338 PolarHBondContact N-O 2.93Å; R265-T338 VanDerWaalsContact NH2-CG2 3.27Å; R265-T338 PolarHBondContact O-N 2.95Å
339V88.1Confident80.3Confident8 Ų848 Ų485%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-83.7142.8174.1-167.60000110.4L262 L264 V319 V323 F330L262-V339 HydrophobicContact CB-CG1 4.35Å; L262-V339 HydrophobicContact CD1-CG1 3.94Å; L262-V339 HydrophobicContact CD2-CG1 4.33Å; L262-V339 HydrophobicContact CG-CG1 4.45Å; L264-V339 HydrophobicContact CD2-CB 4.33Å; L264-V339 HydrophobicContact CD2-CG1 4.12Å; L264-V339 HydrophobicContact CD2-CG2 3.82Å; V319-V339 HydrophobicContact CG1-CG1 4.39Å; V323-V339 HydrophobicContact CG2-CG2 4.12Å; F330-V339 HydrophobicContact CB-CG2 3.98Å; F330-V339 HydrophobicContact CD1-CG2 3.93Å; F330-V339 HydrophobicContact CD2-CG2 4.32Å; F330-V339 HydrophobicContact CG-CG2 3.8Å
340S88.3Confident81.2Confident12 Ų1243.8 Ų43.88%0.08426%0.263CS..EExtended strand (participates in β ladder)trans-154.7158.4173.5-51.60000111.2L262 V263 R265L262-S340 CarbonylContact C-O 3.57Å; L262-S340 WeakPolarHBondContact CA-O 3.39Å; V263-S340 PolarHBondContact N-O 2.95Å; V263-S340 PolarHBondContact O-N 3.3Å; R265-S340 PolarHBondContact NH1-OG 2.76Å; R265-S340 PolarHBondContact NH2-OG 2.83Å
341Y91.2Very high81.3Confident22 Ų2245.9 Ų45.99%0.08628%0.282CS..EExtended strand (participates in β ladder)trans-69.7153.8168.5-63.9-67.2000111.2G255 T257 P258 L262 A316 Y317 M320G255-Y341 PolarHBondContact N-O 3.35Å; T257-Y341 WeakPolarHBondContact O-CB 3.29Å; P258-Y341 HydrophobicContact CB-CE1 4.04Å; P258-Y341 HydrophobicContact CB-CE2 4.04Å; L262-Y341 HydrophobicContact CD2-CD1 3.62Å; L262-Y341 HydrophobicContact CD2-CE1 3.95Å; L262-Y341 HydrophobicContact CD2-CG 4.41Å; A316-Y341 HydrophobicContact CB-CE1 4.1Å; Y317-Y341 WeakPolarHBondContact CD2-OH 3.31Å; M320-Y341 HydrophobicContact CB-CE2 4.42Å; M320-Y341 HydrophobicContact CE-CD2 3.96Å; M320-Y341 HydrophobicContact CE-CE2 3.99Å; M320-Y341 HydrophobicContact CG-CE2 3.81Å
342A88.8Confident81.2Confident0 Ų044 Ų440%028%0.278CS..BIsolated β-bridgetrans-92.9150.6175.700000112.6L253 C259 T261 V263 N344 I349L253-A342 CarbonylContact O-C 3.47Å; L253-A342 WeakPolarHBondContact O-CA 3.45Å; C259-A342 PolarHBondContact SG-O 2.96Å; T261-A342 HydrophobicContact CG2-CB 3.9Å; T261-A342 VanDerWaalsContact O-CB 3.31Å; T261-A342 WeakPolarHBondContact O-CB 3.19Å; T261-A342 PolarHBondContact O-N 3Å; V263-A342 HydrophobicContact CG2-CB 3.55Å; A342-N344 PolarHBondContact O-N 2.88Å; A342-I349 HydrophobicContact CB-CD1 3.67Å
343K82.9Confident80.9Confident125 Ų12545 Ų4554%0.54328%0.283SS..SBendtrans-63.4-22.3176.5-72.5-172.2-178.4168.90113.9D252 L253 I254D252-K343 VanDerWaalsContact O-CD 3.29Å; D252-K343 WeakPolarHBondContact O-CD 3.46Å; D252-K343 WeakPolarHBondContact O-CE 3.05Å; D252-K343 PolarHBondContact O-NZ 3.07Å; L253-K343 PolarHBondContact O-N 2.88Å; I254-K343 VanDerWaalsContact C-CG 3.43Å; I254-K343 WeakPolarHBondContact O-CE 3.5Å; I254-K343 WeakPolarHBondContact O-CG 3.44Å
344N81.9Confident80.9Confident78 Ų7849.2 Ų49.242%0.41728%0.281SS..SBendtrans-151.2173.5-170.7-147.2-31.8000110.5A342 T348 I349A342-N344 PolarHBondContact O-N 2.88Å; N344-T348 VanDerWaalsContact ND2-CG2 3.34Å; N344-T348 WeakPolarHBondContact ND2-CG2 3.37Å; N344-T348 WeakPolarHBondContact OD1-CB 3.22Å; N344-T348 PolarHBondContact OD1-OG1 3.25Å; N344-I349 HydrophobicContact CB-CG1 4.13Å; N344-I349 WeakPolarHBondContact O-CD1 3.27Å
345T85.4Confident80.5Confident64 Ų6451 Ų5139%0.39328%0.28SS..  trans-69.9151.3177.776.40000111.5N347 T348 I349T345-N347 VanDerWaalsContact C-N 3.28Å; T345-N347 PolarHBondContact O-N 2.72Å; T345-T348 PolarHBondContact O-N 3.43Å; T345-T348 PolarHBondContact OG1-N 3.1Å; T345-T348 PolarHBondContact OG1-OG1 2.06Å; T345-I349 WeakPolarHBondContact O-CG1 3.31Å; T345-I349 PolarHBondContact O-N 3.49Å
346F84Confident79.9Confident4 Ų451.6 Ų51.62%0.01828%0.284CS..Hα-helixtrans-45-50175.9-175.9-85.5000112.9T261 Q290 H292 F307 E309 T348 I349 M350T261-F346 HydrophobicContact CG2-CB 3.95Å; T261-F346 HydrophobicContact CG2-CD2 4.4Å; T261-F346 PolarHBondContact OG1-N 3.04Å; T261-F346 VanDerWaalsContact OG1-N 3.1Å; Q290-F346 HydrophobicContact CB-CE1 4.45Å; Q290-F346 HydrophobicContact CB-CZ 4.31Å; Q290-F346 HydrophobicContact CG-CE1 3.89Å; Q290-F346 HydrophobicContact CG-CE2 4.33Å; Q290-F346 HydrophobicContact CG-CZ 3.64Å; H292-F346 HydrophobicContact CB-CE2 4.19Å; H292-F346 HydrophobicContact CB-CZ 4Å; F307-F346 HydrophobicContact CB-CD2 3.87Å; F307-F346 HydrophobicContact CB-CE2 3.85Å; E309-F346 HydrophobicContact CB-CB 3.96Å; E309-F346 HydrophobicContact CB-CD2 4.07Å; E309-F346 HydrophobicContact CB-CG 4.07Å; E309-F346 HydrophobicContact CG-CB 4.18Å; F346-T348 VanDerWaalsContact C-N 3.35Å; F346-T348 PolarHBondContact O-N 3.37Å; F346-I349 PolarHBondContact O-N 2.93Å; F346-M350 HydrophobicContact CD1-CG 4Å; F346-M350 HydrophobicContact CD2-CE 4.3Å; F346-M350 HydrophobicContact CE1-CE 4.39Å; F346-M350 HydrophobicContact CE1-CG 3.65Å; F346-M350 HydrophobicContact CE2-CE 3.79Å; F346-M350 HydrophobicContact CZ-CE 3.82Å; F346-M350 HydrophobicContact CZ-CG 4.01Å; F346-M350 HydrophobicContact CZ-SD 4.37Å; F346-M350 WeakPolarHBondContact O-CG 3.24Å; F346-M350 PolarHBondContact O-N 3.28Å
347N83.4Confident78.6Confident106 Ų10650.1 Ų50.157%0.56727%0.274SS*.Hα-helixtrans-59.7-41.1179-72.5-58.6000113.2T345 A351T345-N347 VanDerWaalsContact C-N 3.28Å; T345-N347 PolarHBondContact O-N 2.72Å; N347-A351 WeakPolarHBondContact O-CB 3.28Å; N347-A351 PolarHBondContact O-N 3.13Å
348T81.6Confident76.8Confident54 Ų5453.4 Ų53.433%0.33130%0.297SS..Hα-helixtrans-69.7-38.4178.7-42.20000111.5N344 T345 F346 A351 T352N344-T348 VanDerWaalsContact ND2-CG2 3.34Å; N344-T348 WeakPolarHBondContact ND2-CG2 3.37Å; N344-T348 WeakPolarHBondContact OD1-CB 3.22Å; N344-T348 PolarHBondContact OD1-OG1 3.25Å; T345-T348 PolarHBondContact O-N 3.43Å; T345-T348 PolarHBondContact OG1-N 3.1Å; T345-T348 PolarHBondContact OG1-OG1 2.06Å; F346-T348 VanDerWaalsContact C-N 3.35Å; F346-T348 PolarHBondContact O-N 3.37Å; T348-A351 PolarHBondContact O-N 3.44Å; T348-T352 PolarHBondContact O-N 3.34Å; T348-T352 PolarHBondContact O-OG1 3.16Å
349I81.8Confident74.6Confident2 Ų258.9 Ų58.91%0.0132%0.315CS..Hα-helixtrans-63.9-44.3176.2-68.1170.8000110.9L253 T261 F307 A342 N344 T345 F346 A351 T352 L353L253-I349 HydrophobicContact CD1-CG2 4.21Å; T261-I349 HydrophobicContact CG2-CD1 4.38Å; F307-I349 HydrophobicContact CD1-CD1 4.16Å; F307-I349 HydrophobicContact CD1-CG2 4.19Å; F307-I349 HydrophobicContact CD2-CG2 4.22Å; F307-I349 HydrophobicContact CE1-CD1 4.02Å; F307-I349 HydrophobicContact CE1-CG2 3.81Å; F307-I349 HydrophobicContact CE2-CG2 3.83Å; F307-I349 HydrophobicContact CG-CG2 4.38Å; F307-I349 HydrophobicContact CZ-CG2 3.63Å; A342-I349 HydrophobicContact CB-CD1 3.67Å; N344-I349 HydrophobicContact CB-CG1 4.13Å; N344-I349 WeakPolarHBondContact O-CD1 3.27Å; T345-I349 WeakPolarHBondContact O-CG1 3.31Å; T345-I349 PolarHBondContact O-N 3.49Å; F346-I349 PolarHBondContact O-N 2.93Å; I349-A351 VanDerWaalsContact C-N 3.29Å; I349-A351 PolarHBondContact O-N 2.92Å; I349-T352 PolarHBondContact O-N 3.28Å; I349-T352 PolarHBondContact O-OG1 3.03Å; I349-L353 HydrophobicContact CG2-CD1 3.6Å; I349-L353 HydrophobicContact CG2-CG 4.36Å; I349-L353 WeakPolarHBondContact O-CB 3.43Å; I349-L353 WeakPolarHBondContact O-CD1 3.39Å; I349-L353 VanDerWaalsContact O-CG 3.27Å; I349-L353 WeakPolarHBondContact O-CG 3.45Å; I349-L353 PolarHBondContact O-N 3.4Å
350M80.3Confident72.4Confident28 Ų2862.5 Ų62.514%0.13833%0.334CS..Hα-helixtrans-65.2-32175.9-65.7-59.6143.500112.5H292 F307 F346 K354H292-M350 HydrophobicContact CB-CE 3.94Å; H292-M350 VanDerWaalsContact CD2-SD 3.57Å; F307-M350 HydrophobicContact CB-CE 4.07Å; F307-M350 HydrophobicContact CD2-CE 3.53Å; F307-M350 HydrophobicContact CE2-CE 4.32Å; F307-M350 HydrophobicContact CG-CE 4.03Å; F346-M350 HydrophobicContact CD1-CG 4Å; F346-M350 HydrophobicContact CD2-CE 4.3Å; F346-M350 HydrophobicContact CE1-CE 4.39Å; F346-M350 HydrophobicContact CE1-CG 3.65Å; F346-M350 HydrophobicContact CE2-CE 3.79Å; F346-M350 HydrophobicContact CZ-CE 3.82Å; F346-M350 HydrophobicContact CZ-CG 4.01Å; F346-M350 HydrophobicContact CZ-SD 4.37Å; F346-M350 WeakPolarHBondContact O-CG 3.24Å; F346-M350 PolarHBondContact O-N 3.28Å; M350-K354 WeakPolarHBondContact O-CD 3.28Å; M350-K354 VanDerWaalsContact O-CG 3.26Å; M350-K354 WeakPolarHBondContact O-CG 3.34Å; M350-K354 PolarHBondContact O-N 2.93Å
351A76.5Confident70.3Confident53 Ų5364.4 Ų64.444%0.43835%0.35SS..Hα-helixtrans-71.5-43.4174.300000112.7N347 T348 I349 T355N347-A351 WeakPolarHBondContact O-CB 3.28Å; N347-A351 PolarHBondContact O-N 3.13Å; T348-A351 PolarHBondContact O-N 3.44Å; I349-A351 VanDerWaalsContact C-N 3.29Å; I349-A351 PolarHBondContact O-N 2.92Å; A351-T355 PolarHBondContact O-N 2.87Å; A351-T355 PolarHBondContact O-OG1 2.76Å
352T75.1Confident68.1Low59 Ų5966.9 Ų66.936%0.36236%0.363SS..Hα-helixtrans-65.2-45176.6500000111.5T348 I349 K354 T355 E356T348-T352 PolarHBondContact O-N 3.34Å; T348-T352 PolarHBondContact O-OG1 3.16Å; I349-T352 PolarHBondContact O-N 3.28Å; I349-T352 PolarHBondContact O-OG1 3.03Å; T352-K354 PolarHBondContact O-N 2.89Å; T352-T355 WeakPolarHBondContact O-CA 3.29Å; T352-T355 WeakPolarHBondContact O-CB 3.26Å; T352-T355 PolarHBondContact O-N 2.93Å; T352-E356 WeakPolarHBondContact O-CG 3.49Å; T352-E356 PolarHBondContact O-N 2.9Å
353L72.5Confident65.8Low23 Ų2369.8 Ų69.812%0.1238%0.378CS..Hα-helixtrans-62.9-39.2-178.9-71.9166.6000112.8L253 M294 F307 I349 T355 E356 G357L253-L353 HydrophobicContact CD1-CD1 4.45Å; L253-L353 HydrophobicContact CD1-CD2 4.29Å; M294-L353 HydrophobicContact CE-CD1 3.86Å; M294-L353 HydrophobicContact CE-CD2 4.32Å; M294-L353 HydrophobicContact CE-CG 4.49Å; M294-L353 HydrophobicContact SD-CD1 3.8Å; F307-L353 HydrophobicContact CE2-CD1 3.9Å; F307-L353 HydrophobicContact CZ-CD1 4.44Å; I349-L353 HydrophobicContact CG2-CD1 3.6Å; I349-L353 HydrophobicContact CG2-CG 4.36Å; I349-L353 WeakPolarHBondContact O-CB 3.43Å; I349-L353 WeakPolarHBondContact O-CD1 3.39Å; I349-L353 VanDerWaalsContact O-CG 3.27Å; I349-L353 WeakPolarHBondContact O-CG 3.45Å; I349-L353 PolarHBondContact O-N 3.4Å; L353-T355 VanDerWaalsContact C-N 3.29Å; L353-T355 PolarHBondContact O-N 3.33Å; L353-E356 PolarHBondContact O-N 3.44Å; L353-G357 PolarHBondContact O-N 3.39Å
354K70Confident63.9Low158 Ų15867.9 Ų67.969%0.68737%0.374SS*.Hα-helixtrans-63-34.9172.5-74.3174.2-179.8-176.50112.8M350 T352 S358M350-K354 WeakPolarHBondContact O-CD 3.28Å; M350-K354 VanDerWaalsContact O-CG 3.26Å; M350-K354 WeakPolarHBondContact O-CG 3.34Å; M350-K354 PolarHBondContact O-N 2.93Å; T352-K354 PolarHBondContact O-N 2.89Å; K354-S358 PolarHBondContact O-N 2.94Å
355T61.8Low62.3Low98 Ų9867 Ų6760%0.60137%0.374SS*.Hα-helixtrans-72.3-41177.4-500000111A351 T352 L353 Y359A351-T355 PolarHBondContact O-N 2.87Å; A351-T355 PolarHBondContact O-OG1 2.76Å; T352-T355 WeakPolarHBondContact O-CA 3.29Å; T352-T355 WeakPolarHBondContact O-CB 3.26Å; T352-T355 PolarHBondContact O-N 2.93Å; L353-T355 VanDerWaalsContact C-N 3.29Å; L353-T355 PolarHBondContact O-N 3.33Å; T355-Y359 PolarHBondContact O-N 2.93Å; T355-Y359 VanDerWaalsContact O-N 3.1Å
356E57.8Low60.5Low96 Ų9666.1 Ų66.145%0.44937%0.37SS..Hα-helixtrans-68.8-37.7176.7-71.3176.1174.700112.9T352 L353 Y359 N360T352-E356 WeakPolarHBondContact O-CG 3.49Å; T352-E356 PolarHBondContact O-N 2.9Å; L353-E356 PolarHBondContact O-N 3.44Å; E356-Y359 PolarHBondContact O-N 2.83Å; E356-N360 PolarHBondContact O-N 3.3Å; E356-N360 PolarHBondContact O-ND2 2.86Å
357G52.7Low58.7Low18 Ų1873.9 Ų73.919%0.18640%0.399CS..Hα-helixtrans-59.7-51.6173.200000111.4L353 Y359 N360 A361L353-G357 PolarHBondContact O-N 3.39Å; G357-Y359 VanDerWaalsContact C-N 3.33Å; G357-Y359 PolarHBondContact O-N 2.88Å; G357-N360 PolarHBondContact O-N 3.49Å; G357-A361 WeakPolarHBondContact O-CB 3.35Å; G357-A361 PolarHBondContact O-N 3.47Å
358S45Very low57.2Low78 Ų7873.6 Ų73.655%0.54540%0.398SS..Hα-helixtrans-56.9-43.2176.8-170.80000112.7K354 A361 Q362K354-S358 PolarHBondContact O-N 2.94Å; S358-A361 PolarHBondContact O-N 2.84Å; S358-Q362 WeakPolarHBondContact O-CB 3.35Å; S358-Q362 PolarHBondContact O-N 3.23Å
359Y36.8Very low56Low151 Ų15173.6 Ų73.659%0.59240%0.396SS*.Hα-helixtrans-65.3-40.1177.1-174.5-108.1000113.3T355 E356 G357 L363T355-Y359 PolarHBondContact O-N 2.93Å; T355-Y359 VanDerWaalsContact O-N 3.1Å; E356-Y359 PolarHBondContact O-N 2.83Å; G357-Y359 VanDerWaalsContact C-N 3.33Å; G357-Y359 PolarHBondContact O-N 2.88Å; Y359-L363 HydrophobicContact CD1-CD1 3.9Å; Y359-L363 HydrophobicContact CE1-CD1 3.47Å; Y359-L363 VanDerWaalsContact CE1-CD1 3.47Å; Y359-L363 HydrophobicContact CE1-CG 4.43Å; Y359-L363 PolarHBondContact O-N 2.84Å
360N42.5Very low54.7Low84 Ų8476.2 Ų76.245%0.44942%0.417SS..Hα-helixtrans-72.4-36.9177.2-79.4-79.4000112.6E356 G357 L363 N364E356-N360 PolarHBondContact O-N 3.3Å; E356-N360 PolarHBondContact O-ND2 2.86Å; G357-N360 PolarHBondContact O-N 3.49Å; N360-L363 PolarHBondContact O-N 3.33Å; N360-N364 WeakPolarHBondContact O-CB 3.4Å; N360-N364 PolarHBondContact O-N 3.41Å
361A45.1Very low53.5Low51 Ų5179.7 Ų79.742%0.42144%0.436SS..Hα-helixtrans-57.9-49.8171.700000110.6G357 S358 L363 N364 S365G357-A361 WeakPolarHBondContact O-CB 3.35Å; G357-A361 PolarHBondContact O-N 3.47Å; S358-A361 PolarHBondContact O-N 2.84Å; A361-L363 VanDerWaalsContact C-N 3.33Å; A361-L363 PolarHBondContact O-N 2.8Å; A361-N364 PolarHBondContact O-N 2.84Å; A361-N364 VanDerWaalsContact O-N 3.15Å; A361-S365 PolarHBondContact O-N 2.85Å; A361-S365 PolarHBondContact O-OG 3.43Å; A361-S365 VanDerWaalsContact O-OG 3.11Å
362Q43.4Very low52.4Low74 Ų7482.1 Ų82.135%0.34644%0.442SS..Hα-helixtrans-62.6-36.6179.6-159.51727.900112.8S358 S366S358-Q362 WeakPolarHBondContact O-CB 3.35Å; S358-Q362 PolarHBondContact O-N 3.23Å; Q362-S366 WeakPolarHBondContact O-CB 3.33Å; Q362-S366 PolarHBondContact O-N 3.47Å; Q362-S366 VanDerWaalsContact O-N 3.09Å; Q362-S366 PolarHBondContact O-OG 3.25Å
363L41.1Very low51.5Low61 Ų6182 Ų8232%0.31944%0.439SS..Hα-helixtrans-69.1-38.4172.7-81.9172.4000113.5Y359 N360 A361 S366 R367Y359-L363 HydrophobicContact CD1-CD1 3.9Å; Y359-L363 HydrophobicContact CE1-CD1 3.47Å; Y359-L363 VanDerWaalsContact CE1-CD1 3.47Å; Y359-L363 HydrophobicContact CE1-CG 4.43Å; Y359-L363 PolarHBondContact O-N 2.84Å; N360-L363 PolarHBondContact O-N 3.33Å; A361-L363 VanDerWaalsContact C-N 3.33Å; A361-L363 PolarHBondContact O-N 2.8Å; L363-S366 PolarHBondContact O-N 3.49Å; L363-R367 PolarHBondContact O-N 2.87Å
364N42.3Very low50.7Low85 Ų8583.3 Ų83.346%0.45545%0.452SS..Hα-helixtrans-74-38.4178.8-75.5-16.9000111.8N360 A361 S366 R367 N368N360-N364 WeakPolarHBondContact O-CB 3.4Å; N360-N364 PolarHBondContact O-N 3.41Å; A361-N364 PolarHBondContact O-N 2.84Å; A361-N364 VanDerWaalsContact O-N 3.15Å; N364-S366 VanDerWaalsContact C-N 3.29Å; N364-S366 PolarHBondContact O-N 2.89Å; N364-R367 PolarHBondContact O-N 3.28Å; N364-N368 PolarHBondContact O-N 3.16Å
365S48.5Very low50.1Low61 Ų6181.5 Ų81.543%0.42745%0.446SS..Hα-helixtrans-55.9-45.8167.2-600000111.1A361 R367 L369A361-S365 PolarHBondContact O-N 2.85Å; A361-S365 PolarHBondContact O-OG 3.43Å; A361-S365 VanDerWaalsContact O-OG 3.11Å; S365-R367 PolarHBondContact O-N 3.34Å; S365-L369 WeakPolarHBondContact O-CB 3.25Å; S365-L369 PolarHBondContact O-N 3.19Å
366S48.5Very low49.7Very low44 Ų4477.9 Ų77.931%0.30843%0.426SS..Hα-helixtrans-63.7-37.1177.8-58.70000112.9Q362 L363 N364 A370Q362-S366 WeakPolarHBondContact O-CB 3.33Å; Q362-S366 PolarHBondContact O-N 3.47Å; Q362-S366 VanDerWaalsContact O-N 3.09Å; Q362-S366 PolarHBondContact O-OG 3.25Å; L363-S366 PolarHBondContact O-N 3.49Å; N364-S366 VanDerWaalsContact C-N 3.29Å; N364-S366 PolarHBondContact O-N 2.89Å; S366-A370 VanDerWaalsContact O-CB 3.29Å; S366-A370 WeakPolarHBondContact O-CB 3.24Å; S366-A370 PolarHBondContact O-N 3.26Å; S366-A370 VanDerWaalsContact O-N 3.1Å
367R46.8Very low49.5Very low167 Ų16775.8 Ų75.863%0.6343%0.425SS*.Hα-helixtrans-70.7-48.2176.6-85.4-166.6172.898.70113.1L363 N364 S365 L369 A370 L371L363-R367 PolarHBondContact O-N 2.87Å; N364-R367 PolarHBondContact O-N 3.28Å; S365-R367 PolarHBondContact O-N 3.34Å; R367-L369 VanDerWaalsContact C-N 3.34Å; R367-A370 PolarHBondContact O-N 2.98Å; R367-L371 WeakPolarHBondContact O-CB 3.27Å; R367-L371 PolarHBondContact O-N 3.08Å
368N52Low49.5Very low101 Ų10181.6 Ų81.654%0.5445%0.449SS..Hα-helixtrans-62.6-45.6179.8-70.5-10000110.1N364 A370 L371 D372N364-N368 PolarHBondContact O-N 3.16Å; N368-A370 VanDerWaalsContact C-N 3.32Å; N368-A370 PolarHBondContact O-N 2.98Å; N368-L371 CarbonylContact O-C 3.55Å; N368-L371 WeakPolarHBondContact O-CA 3.42Å; N368-L371 WeakPolarHBondContact O-CB 3.07Å; N368-L371 PolarHBondContact O-N 2.93Å; N368-D372 PolarHBondContact O-N 2.85Å
369L55.5Low49.8Very low54 Ų5479.8 Ų79.828%0.28344%0.439SS..Hα-helixtrans-63.7-35.6178.2-164150.3000112.4S365 R367 L373 A397S365-L369 WeakPolarHBondContact O-CB 3.25Å; S365-L369 PolarHBondContact O-N 3.19Å; R367-L369 VanDerWaalsContact C-N 3.34Å; L369-L373 WeakPolarHBondContact O-CB 3.17Å; L369-L373 PolarHBondContact O-N 3.46Å; L369-A397 HydrophobicContact CD2-CB 3.4Å; L369-A397 VanDerWaalsContact CD2-CB 3.4Å
370A53.7Low50.5Low56 Ų5674.9 Ų74.946%0.46343%0.429SS..Hα-helixtrans-68.3-32.4171.200000113.3S366 R367 N368 A374S366-A370 VanDerWaalsContact O-CB 3.29Å; S366-A370 WeakPolarHBondContact O-CB 3.24Å; S366-A370 PolarHBondContact O-N 3.26Å; S366-A370 VanDerWaalsContact O-N 3.1Å; R367-A370 PolarHBondContact O-N 2.98Å; N368-A370 VanDerWaalsContact C-N 3.32Å; N368-A370 PolarHBondContact O-N 2.98Å; A370-A374 WeakPolarHBondContact O-CB 3.5Å; A370-A374 PolarHBondContact O-N 3.47Å
371L56.5Low50.8Low102 Ų10279.2 Ų79.253%0.53445%0.447SS..Hα-helixtrans-73.4-38.3176.2-155.775.9000111.5R367 N368 A374 H375R367-L371 WeakPolarHBondContact O-CB 3.27Å; R367-L371 PolarHBondContact O-N 3.08Å; N368-L371 CarbonylContact O-C 3.55Å; N368-L371 WeakPolarHBondContact O-CA 3.42Å; N368-L371 WeakPolarHBondContact O-CB 3.07Å; N368-L371 PolarHBondContact O-N 2.93Å; L371-A374 PolarHBondContact O-N 2.97Å; L371-H375 PolarHBondContact O-N 2.84Å; L371-H375 PolarHBondContact O-ND1 2.75Å
372D53.8Low50.9Low104 Ų10483.3 Ų83.356%0.55646%0.462SS*.Hα-helixtrans-68.1-38.8172.9-69-32.4000111.2N368 A374 H375 A376N368-D372 PolarHBondContact O-N 2.85Å; D372-A374 VanDerWaalsContact C-N 3.3Å; D372-A374 PolarHBondContact O-N 2.79Å; D372-H375 PolarHBondContact O-N 3.21Å; D372-A376 VanDerWaalsContact O-CB 3.29Å; D372-A376 WeakPolarHBondContact O-CB 3.5Å; D372-A376 PolarHBondContact O-N 3.46Å
373L55.6Low51Low57 Ų5786.2 Ų86.230%0.29848%0.48SS..Hα-helixtrans-62.9-38.1173.2-150.475.3000111.5L369 A377 N393L369-L373 WeakPolarHBondContact O-CB 3.17Å; L369-L373 PolarHBondContact O-N 3.46Å; L373-A377 WeakPolarHBondContact O-CB 3.42Å; L373-A377 PolarHBondContact O-N 2.88Å; L373-N393 HydrophobicContact CD1-CB 3.53Å
374A55.2Low51.4Low49 Ų4991.4 Ų91.441%0.40551%0.508SS..Hα-helixtrans-68.3-43174.300000112.4A370 L371 D372 A377 M378A370-A374 WeakPolarHBondContact O-CB 3.5Å; A370-A374 PolarHBondContact O-N 3.47Å; L371-A374 PolarHBondContact O-N 2.97Å; D372-A374 VanDerWaalsContact C-N 3.3Å; D372-A374 PolarHBondContact O-N 2.79Å; A374-A377 PolarHBondContact O-N 3.09Å; A374-M378 VanDerWaalsContact O-CG 3.24Å; A374-M378 WeakPolarHBondContact O-CG 3.45Å; A374-M378 PolarHBondContact O-N 2.83Å
375H56.4Low51.7Low121 Ų12190.8 Ų90.856%0.5650%0.504SS*.Hα-helixtrans-66.2-38.4175-75.5100.6000112.3L371 D372 M378 A379L371-H375 PolarHBondContact O-N 2.84Å; L371-H375 PolarHBondContact O-ND1 2.75Å; D372-H375 PolarHBondContact O-N 3.21Å; H375-M378 PolarHBondContact O-N 3.24Å; H375-A379 VanDerWaalsContact O-CB 3.28Å; H375-A379 WeakPolarHBondContact O-CB 3.28Å; H375-A379 PolarHBondContact O-N 3.1Å
376A53.9Low51.6Low21 Ų2190.5 Ų90.517%0.17450%0.501CS..Hα-helixtrans-63.7-42.4173.700000111.8D372 A379 A380D372-A376 VanDerWaalsContact O-CB 3.29Å; D372-A376 WeakPolarHBondContact O-CB 3.5Å; D372-A376 PolarHBondContact O-N 3.46Å; A376-A379 PolarHBondContact O-N 3.01Å; A376-A380 WeakPolarHBondContact O-CB 3.43Å; A376-A380 PolarHBondContact O-N 3.2Å
377A53.7Low51.7Low52 Ų5293.2 Ų93.243%0.4352%0.518SS..Hα-helixtrans-65.7-36.1175.500000113L373 A374L373-A377 WeakPolarHBondContact O-CB 3.42Å; L373-A377 PolarHBondContact O-N 2.88Å; A374-A377 PolarHBondContact O-N 3.09Å
378M52.5Low51.7Low140 Ų14088.6 Ų88.669%0.6951%0.506SS*.Hα-helixtrans-68.5-44.6172.4-70.6-76.6-165.300111.8A374 H375 A380 Q381A374-M378 VanDerWaalsContact O-CG 3.24Å; A374-M378 WeakPolarHBondContact O-CG 3.45Å; A374-M378 PolarHBondContact O-N 2.83Å; H375-M378 PolarHBondContact O-N 3.24Å; M378-A380 VanDerWaalsContact C-N 3.33Å; M378-A380 PolarHBondContact O-N 2.6Å; M378-Q381 PolarHBondContact O-N 2.98Å
379A52.7Low51.8Low41 Ų4187 Ų8734%0.33950%0.5SS..Hα-helixtrans-65.6-35.6179.800000112.3H375 A376 Q381 N382 N383 I385H375-A379 VanDerWaalsContact O-CB 3.28Å; H375-A379 WeakPolarHBondContact O-CB 3.28Å; H375-A379 PolarHBondContact O-N 3.1Å; A376-A379 PolarHBondContact O-N 3.01Å; A379-Q381 PolarHBondContact O-N 2.89Å; A379-N382 PolarHBondContact O-N 3.37Å; A379-N383 PolarHBondContact O-N 3.45Å; A379-I385 HydrophobicContact CB-CD1 3.56Å
380A49.9Very low51.7Low47 Ų4786.7 Ų86.739%0.38850%0.5SS..THydrogen-bonded Turntrans-61.8-19.3175.200000113.9A376 M378A376-A380 WeakPolarHBondContact O-CB 3.43Å; A376-A380 PolarHBondContact O-N 3.2Å; M378-A380 VanDerWaalsContact C-N 3.33Å; M378-A380 PolarHBondContact O-N 2.6Å
381Q49.3Very low51.6Low176 Ų17686.3 Ų86.382%0.82250%0.497SS*.THydrogen-bonded Turntrans-80.8-13.7171.7-64.9-164.7-7.900113.8M378 A379M378-Q381 PolarHBondContact O-N 2.98Å; A379-Q381 PolarHBondContact O-N 2.89Å
382N48.2Very low51.3Low136 Ų13686.4 Ų86.473%0.72750%0.496SS*.THydrogen-bonded Turntrans-127.8-19.4-164.2-143.310.9000114.9A379A379-N382 PolarHBondContact O-N 3.37Å
383N43.8Very low51.2Low135 Ų13584.7 Ų84.772%0.72249%0.487SS*.SBendtrans-163.6126.7165.2-101.9-54.5000113.9A379 I385A379-N383 PolarHBondContact O-N 3.45Å; N383-I385 VanDerWaalsContact C-N 3.31Å; N383-I385 PolarHBondContact O-N 2.89Å
384N49.7Very low50.9Low171 Ų17183.9 Ų83.991%0.91449%0.488SS*.  trans33.830.1148-141.327.5000122
385I49.2Very low50.8Low72 Ų7285 Ų8537%0.36949%0.49SS..  trans-86.8135.1169.8-67.3167.9000109.4A379 N383 V390A379-I385 HydrophobicContact CB-CD1 3.56Å; N383-I385 VanDerWaalsContact C-N 3.31Å; N383-I385 PolarHBondContact O-N 2.89Å; I385-V390 HydrophobicContact CG2-CG2 4.28Å
386S47.6Very low50.6Low54 Ų5481.5 Ų81.538%0.37848%0.482SS..  trans-75.8149.2179.984.90000111.8D388 T389S386-D388 PolarHBondContact O-N 2.89Å; S386-T389 PolarHBondContact O-N 3.22Å; S386-T389 PolarHBondContact OG-OG1 2.83Å
387P49.2Very low50.2Low101 Ų10181.3 Ų81.366%0.65648%0.48SS*.Hα-helixtrans-62.4-26.9178.125.3-34.4000112.6T389 V390 A391P387-T389 VanDerWaalsContact C-N 3.33Å; P387-T389 PolarHBondContact O-N 3.37Å; P387-V390 PolarHBondContact O-N 2.67Å; P387-A391 WeakPolarHBondContact O-CB 3.15Å; P387-A391 PolarHBondContact O-N 3.02Å
388D47.9Very low50Low70 Ų7083 Ų8337%0.37449%0.489SS..Hα-helixtrans-65-34.6177.8-67.9-27.9000112.1S386 A391 M392 S432S386-D388 PolarHBondContact O-N 2.89Å; D388-A391 PolarHBondContact O-N 3.19Å; D388-M392 WeakPolarHBondContact O-CG 3.41Å; D388-M392 PolarHBondContact O-N 2.97Å; D388-S432 WeakPolarHBondContact OD2-CB 3.39Å; D388-S432 PolarHBondContact OD2-OG 2.99Å
389T52.9Low49.7Very low67 Ų6779 Ų7941%0.41148%0.478SS..Hα-helixtrans-66.1-39.8175.2-45.90000111.7S386 P387 N393S386-T389 PolarHBondContact O-N 3.22Å; S386-T389 PolarHBondContact OG-OG1 2.83Å; P387-T389 VanDerWaalsContact C-N 3.33Å; P387-T389 PolarHBondContact O-N 3.37Å; T389-N393 PolarHBondContact O-N 3.15Å
390V53.5Low49.4Very low49 Ų4981.2 Ų81.230%0.29748%0.484SS..Hα-helixtrans-68.7-40176.6-175.10000110.6I385 P387 A394I385-V390 HydrophobicContact CG2-CG2 4.28Å; P387-V390 PolarHBondContact O-N 2.67Å; V390-A394 PolarHBondContact O-N 2.78Å; V390-A394 VanDerWaalsContact O-N 3.13Å
391A52.4Low49.4Very low47 Ų4784.7 Ų84.739%0.38850%0.495SS..Hα-helixtrans-65-45.6176.500000112.6P387 D388 N393 A394 V395P387-A391 WeakPolarHBondContact O-CB 3.15Å; P387-A391 PolarHBondContact O-N 3.02Å; D388-A391 PolarHBondContact O-N 3.19Å; A391-N393 PolarHBondContact O-N 2.91Å; A391-A394 PolarHBondContact O-N 2.81Å; A391-V395 WeakPolarHBondContact O-CG2 3.23Å; A391-V395 PolarHBondContact O-N 2.79Å
392M50.9Low49.1Very low104 Ų10479.6 Ų79.651%0.51248%0.479SS..Hα-helixtrans-59.5-45177-79.5-168.4170.500112D388 A394 V395 A396D388-M392 WeakPolarHBondContact O-CG 3.41Å; D388-M392 PolarHBondContact O-N 2.97Å; M392-A394 VanDerWaalsContact C-N 3.32Å; M392-A394 PolarHBondContact O-N 2.99Å; M392-V395 PolarHBondContact O-N 3.32Å; M392-A396 WeakPolarHBondContact O-CB 3.06Å; M392-A396 PolarHBondContact O-N 3.33Å
393N51Low48.8Very low69 Ų6980.2 Ų80.237%0.36948%0.478SS..Hα-helixtrans-65.7-34.5179.1-69.2-6.9000112.1L373 T389 A391 A397L373-N393 HydrophobicContact CD1-CB 3.53Å; T389-N393 PolarHBondContact O-N 3.15Å; A391-N393 PolarHBondContact O-N 2.91Å; N393-A397 WeakPolarHBondContact O-CB 3.44Å; N393-A397 PolarHBondContact O-N 3.46Å
394A50.1Low48.5Very low40 Ų4079.2 Ų79.233%0.33148%0.477SS..Hα-helixtrans-70.6-34.3174.600000113.5V390 A391 M392 S398V390-A394 PolarHBondContact O-N 2.78Å; V390-A394 VanDerWaalsContact O-N 3.13Å; A391-A394 PolarHBondContact O-N 2.81Å; M392-A394 VanDerWaalsContact C-N 3.32Å; M392-A394 PolarHBondContact O-N 2.99Å; A394-S398 PolarHBondContact O-N 3.3Å; A394-S398 VanDerWaalsContact O-N 3.13Å; A394-S398 PolarHBondContact O-OG 3.23Å
395V52.1Low47.9Very low73 Ų7374.2 Ų74.244%0.44246%0.455SS..Hα-helixtrans-71-42.3173.5173.10000110.8A391 M392 A397 S398 A399 V425A391-V395 WeakPolarHBondContact O-CG2 3.23Å; A391-V395 PolarHBondContact O-N 2.79Å; M392-V395 PolarHBondContact O-N 3.32Å; V395-A397 VanDerWaalsContact C-N 3.34Å; V395-A397 PolarHBondContact O-N 3.16Å; V395-S398 PolarHBondContact O-N 3.3Å; V395-S398 VanDerWaalsContact O-N 3.16Å; V395-A399 PolarHBondContact O-N 3.1Å; V395-V425 HydrophobicContact CG2-CG1 4.44Å
396A51.6Low47.7Very low46 Ų4678.7 Ų78.738%0.3848%0.479SS..Hα-helixtrans-61-40.7174.200000112.3M392 S398 A399 L400M392-A396 WeakPolarHBondContact O-CB 3.06Å; M392-A396 PolarHBondContact O-N 3.33Å; A396-S398 PolarHBondContact O-N 2.87Å; A396-A399 PolarHBondContact O-N 3.12Å; A396-L400 PolarHBondContact O-N 3.13Å
397A45.2Very low47.4Very low17 Ų1781.5 Ų81.514%0.1449%0.49CS..Hα-helixtrans-56.3-49.2171.400000111.7L369 N393 V395 A399 L400 L401L369-A397 HydrophobicContact CD2-CB 3.4Å; L369-A397 VanDerWaalsContact CD2-CB 3.4Å; N393-A397 WeakPolarHBondContact O-CB 3.44Å; N393-A397 PolarHBondContact O-N 3.46Å; V395-A397 VanDerWaalsContact C-N 3.34Å; V395-A397 PolarHBondContact O-N 3.16Å; A397-A399 VanDerWaalsContact C-N 3.32Å; A397-A399 PolarHBondContact O-N 2.74Å; A397-L400 PolarHBondContact O-N 2.99Å; A397-L401 VanDerWaalsContact O-CD1 3.31Å; A397-L401 WeakPolarHBondContact O-CD1 3.35Å; A397-L401 PolarHBondContact O-N 2.79Å
398S49.4Very low46.9Very low87 Ų8779.5 Ų79.561%0.60849%0.488SS*.Hα-helixtrans-64.3-35.9-177.6-570000112.4A394 V395 A396A394-S398 PolarHBondContact O-N 3.3Å; A394-S398 VanDerWaalsContact O-N 3.13Å; A394-S398 PolarHBondContact O-OG 3.23Å; V395-S398 PolarHBondContact O-N 3.3Å; V395-S398 VanDerWaalsContact O-N 3.16Å; A396-S398 PolarHBondContact O-N 2.87Å
399A48.1Very low46.8Very low57 Ų5780.2 Ų80.247%0.47150%0.504SS..Hα-helixtrans-65.7-43.1176.900000112.6V395 A396 A397 L401 S402V395-A399 PolarHBondContact O-N 3.1Å; A396-A399 PolarHBondContact O-N 3.12Å; A397-A399 VanDerWaalsContact C-N 3.32Å; A397-A399 PolarHBondContact O-N 2.74Å; A399-L401 VanDerWaalsContact C-N 3.34Å; A399-L401 PolarHBondContact O-N 3.34Å; A399-S402 WeakPolarHBondContact O-CB 3.45Å; A399-S402 PolarHBondContact O-N 3.24Å; A399-S402 PolarHBondContact O-OG 2.76Å
400L46.6Very low46.5Very low87 Ų8779.4 Ų79.446%0.45550%0.504SS..Hα-helixtrans-66.6-31.3-178.8-106.973.1000113.6A396 A397 S402A396-L400 PolarHBondContact O-N 3.13Å; A397-L400 PolarHBondContact O-N 2.99Å; L400-S402 PolarHBondContact O-N 2.71Å
401L47.9Very low46.2Very low120 Ų12080.9 Ų80.963%0.62851%0.513SS*.THydrogen-bonded Turntrans-71.6-11.7179.2-92.974.6000113.9A397 A399 Q403A397-L401 VanDerWaalsContact O-CD1 3.31Å; A397-L401 WeakPolarHBondContact O-CD1 3.35Å; A397-L401 PolarHBondContact O-N 2.79Å; A399-L401 VanDerWaalsContact C-N 3.34Å; A399-L401 PolarHBondContact O-N 3.34Å; L401-Q403 PolarHBondContact O-N 3.43Å
402S43.9Very low46Very low69 Ų6981.3 Ų81.348%0.48352%0.516SS..THydrogen-bonded Turntrans-73.1-19.4-172.766.20000115.3A399 L400 T404A399-S402 WeakPolarHBondContact O-CB 3.45Å; A399-S402 PolarHBondContact O-N 3.24Å; A399-S402 PolarHBondContact O-OG 2.76Å; L400-S402 PolarHBondContact O-N 2.71Å; S402-T404 VanDerWaalsContact C-N 3.34Å; S402-T404 PolarHBondContact O-N 3.26Å
403Q42.2Very low46.1Very low150 Ų15083.3 Ų83.370%0.70152%0.524SS*.  trans-83.264-170.8-62-17112.900113.6L401L401-Q403 PolarHBondContact O-N 3.43Å
404T36.5Very low46.1Very low114 Ų11482.6 Ų82.670%0.69953%0.528SS*.  trans-142.3151.9171.562.70000114.2S402S402-T404 VanDerWaalsContact C-N 3.34Å; S402-T404 PolarHBondContact O-N 3.26Å
405S37.8Very low46.2Very low65 Ų6583.2 Ų83.246%0.45553%0.533SS..  trans83.6116.2169.1-158.10000118.1N407S405-N407 VanDerWaalsContact C-N 3.25Å; S405-N407 PolarHBondContact O-N 2.79Å
406N45.2Very low46.8Very low166 Ų16684.7 Ų84.789%0.88854%0.537SS*.  trans-8720.9-173.7-55.6-0.8000113.4
407N41.2Very low47.5Very low113 Ų11388.9 Ų88.960%0.60455%0.549SS*.  trans-109.6104.6-171.7-75.1-21.2000111.2S405 A409 A410S405-N407 VanDerWaalsContact C-N 3.25Å; S405-N407 PolarHBondContact O-N 2.79Å; N407-A409 PolarHBondContact O-N 2.81Å; N407-A410 PolarHBondContact O-N 2.98Å
408G38.8Very low47.9Very low59 Ų5992.6 Ų92.661%0.60856%0.563SS**Hα-helixtrans-55.4-25.6-169.500000116.9V411 A412G408-V411 PolarHBondContact O-N 2.79Å; G408-A412 PolarHBondContact O-N 2.62Å
409A45Very low48.5Very low86 Ų8694.8 Ų94.871%0.71156%0.562SS**Hα-helixtrans-67.4-35.517500000113.1N407N407-A409 PolarHBondContact O-N 2.81Å
410A48.2Very low49.3Very low49 Ų4997.6 Ų97.641%0.40557%0.565SS.*Hα-helixtrans-73.4-37.717700000111.4N407 A412 Q413 A414N407-A410 PolarHBondContact O-N 2.98Å; A410-A412 VanDerWaalsContact C-N 3.27Å; A410-A412 PolarHBondContact O-N 3.26Å; A410-Q413 PolarHBondContact O-N 3.15Å; A410-A414 WeakPolarHBondContact O-CB 3.35Å; A410-A414 PolarHBondContact O-N 3.07Å
411V47Very low49.7Very low81 Ų8197.3 Ų97.349%0.49157%0.567SS.*Hα-helixtrans-57.4-40176.9-178.10000111.3G408 A414 A415G408-V411 PolarHBondContact O-N 2.79Å; V411-A414 PolarHBondContact O-N 3.34Å; V411-A415 VanDerWaalsContact O-CB 3.31Å; V411-A415 WeakPolarHBondContact O-CB 3.41Å; V411-A415 PolarHBondContact O-N 3.49Å
412A46.6Very low49.8Very low55 Ų5596 Ų9646%0.45556%0.558SS.*Hα-helixtrans-63.9-43178.300000113.1G408 A410 I416G408-A412 PolarHBondContact O-N 2.62Å; A410-A412 VanDerWaalsContact C-N 3.27Å; A410-A412 PolarHBondContact O-N 3.26Å; A412-I416 WeakPolarHBondContact O-CD1 3.23Å; A412-I416 VanDerWaalsContact O-CG1 3.31Å; A412-I416 WeakPolarHBondContact O-CG1 3.39Å; A412-I416 PolarHBondContact O-N 2.89Å
413Q54.1Low50.3Low147 Ų14798.8 Ų98.869%0.68756%0.563SS**Hα-helixtrans-71.4-40.1177-75.4-174.4-33.400112.2A410 A415 I416 Q417A410-Q413 PolarHBondContact O-N 3.15Å; Q413-A415 PolarHBondContact O-N 2.77Å; Q413-I416 PolarHBondContact O-N 3.04Å; Q413-Q417 PolarHBondContact O-N 3.35Å
414A50.7Low50.9Low54 Ų5498.8 Ų98.845%0.44656%0.563SS.*Hα-helixtrans-58.4-46.9174.100000111.5A410 V411 I416 Q417 Q418A410-A414 WeakPolarHBondContact O-CB 3.35Å; A410-A414 PolarHBondContact O-N 3.07Å; V411-A414 PolarHBondContact O-N 3.34Å; A414-I416 PolarHBondContact O-N 2.78Å; A414-Q417 PolarHBondContact O-N 3.34Å; A414-Q418 VanDerWaalsContact O-CB 3.24Å; A414-Q418 WeakPolarHBondContact O-CB 3.47Å; A414-Q418 PolarHBondContact O-N 2.78Å
415A51.3Low51.6Low52 Ų5296 Ų9643%0.4355%0.546SS..Hα-helixtrans-63.6-35.5178.600000113.6V411 Q413 K419V411-A415 VanDerWaalsContact O-CB 3.31Å; V411-A415 WeakPolarHBondContact O-CB 3.41Å; V411-A415 PolarHBondContact O-N 3.49Å; Q413-A415 PolarHBondContact O-N 2.77Å; A415-K419 WeakPolarHBondContact O-CB 3.27Å; A415-K419 PolarHBondContact O-N 2.63Å
416I65.1Low52Low104 Ų10498.4 Ų98.453%0.53355%0.553SS.*Hα-helixtrans-65.8-45.7174.3-70164.6000110.5A412 Q413 A414 K419 Q420A412-I416 WeakPolarHBondContact O-CD1 3.23Å; A412-I416 VanDerWaalsContact O-CG1 3.31Å; A412-I416 WeakPolarHBondContact O-CG1 3.39Å; A412-I416 PolarHBondContact O-N 2.89Å; Q413-I416 PolarHBondContact O-N 3.04Å; A414-I416 PolarHBondContact O-N 2.78Å; I416-K419 PolarHBondContact O-N 2.84Å; I416-Q420 WeakPolarHBondContact O-CG 3.45Å; I416-Q420 PolarHBondContact O-N 2.69Å
417Q65.8Low52.2Low135 Ų13594.7 Ų94.763%0.63154%0.54SS*.Hα-helixtrans-67.7-40.4-179.7-162.7166.933.400111.6Q413 A414 Q420 T421Q413-Q417 PolarHBondContact O-N 3.35Å; A414-Q417 PolarHBondContact O-N 3.34Å; Q417-Q420 PolarHBondContact O-N 3.42Å; Q417-T421 PolarHBondContact O-N 3.12Å; Q417-T421 PolarHBondContact O-OG1 2.86Å
418Q54Low52.6Low94 Ų9492.4 Ų92.444%0.43954%0.537SS..Hα-helixtrans-58.5-48.8174.2-174170.74.500111.3A414 Q420 T421 E422A414-Q418 VanDerWaalsContact O-CB 3.24Å; A414-Q418 WeakPolarHBondContact O-CB 3.47Å; A414-Q418 PolarHBondContact O-N 2.78Å; Q418-Q420 VanDerWaalsContact C-N 3.28Å; Q418-Q420 PolarHBondContact O-N 3.26Å; Q418-T421 WeakPolarHBondContact CA-OG1 3.15Å; Q418-T421 PolarHBondContact O-N 3.1Å; Q418-T421 VanDerWaalsContact O-N 3.09Å; Q418-T421 PolarHBondContact O-OG1 2.93Å; Q418-E422 WeakPolarHBondContact O-CG 3.47Å; Q418-E422 PolarHBondContact O-N 2.61Å
419K62.5Low52.6Low134 Ų13493.2 Ų93.258%0.58353%0.527SS*.Hα-helixtrans-60.9-33.6177.1-171.5172.9-176175.20113.4A415 I416 Q423A415-K419 WeakPolarHBondContact O-CB 3.27Å; A415-K419 PolarHBondContact O-N 2.63Å; I416-K419 PolarHBondContact O-N 2.84Å; K419-Q423 WeakPolarHBondContact O-CG 3.29Å; K419-Q423 PolarHBondContact O-N 2.68Å
420Q64.6Low52.5Low116 Ų11694.8 Ų94.854%0.54253%0.528SS..Hα-helixtrans-70.1-40.8173.7-71.5174.9-11.400111.8I416 Q417 Q418 H424I416-Q420 WeakPolarHBondContact O-CG 3.45Å; I416-Q420 PolarHBondContact O-N 2.69Å; Q417-Q420 PolarHBondContact O-N 3.42Å; Q418-Q420 VanDerWaalsContact C-N 3.28Å; Q418-Q420 PolarHBondContact O-N 3.26Å; Q420-H424 PolarHBondContact O-N 3.47Å
421T55.5Low52.4Low80 Ų80101.4 Ų101.449%0.49155%0.547SS..Hα-helixtrans-67.8-38.6174.650.40000112.9Q417 Q418 Q423 H424 V425Q417-T421 PolarHBondContact O-N 3.12Å; Q417-T421 PolarHBondContact O-OG1 2.86Å; Q418-T421 WeakPolarHBondContact CA-OG1 3.15Å; Q418-T421 PolarHBondContact O-N 3.1Å; Q418-T421 VanDerWaalsContact O-N 3.09Å; Q418-T421 PolarHBondContact O-OG1 2.93Å; T421-Q423 PolarHBondContact O-N 3.41Å; T421-H424 PolarHBondContact O-N 2.77Å; T421-V425 WeakPolarHBondContact O-CG2 3.34Å; T421-V425 PolarHBondContact O-N 3.25Å
422E50.9Low52.1Low94 Ų94101.2 Ų101.244%0.43955%0.549SS..Hα-helixtrans-60.7-42.5176.6-75.1169.4176.100111.9Q418 H424 V425 L426Q418-E422 WeakPolarHBondContact O-CG 3.47Å; Q418-E422 PolarHBondContact O-N 2.61Å; E422-H424 VanDerWaalsContact C-N 3.34Å; E422-H424 PolarHBondContact O-N 3.33Å; E422-V425 PolarHBondContact O-N 3.47Å; E422-L426 WeakPolarHBondContact O-CB 3.4Å; E422-L426 VanDerWaalsContact O-CG 3.32Å; E422-L426 WeakPolarHBondContact O-CG 3.36Å; E422-L426 PolarHBondContact O-N 2.98Å
423Q53.4Low51.4Low126 Ų126105.1 Ų105.159%0.58956%0.562SS**Hα-helixtrans-63.8-37.6175.8-73.7-178.3-27.200112.5K419 T421 S427K419-Q423 WeakPolarHBondContact O-CG 3.29Å; K419-Q423 PolarHBondContact O-N 2.68Å; T421-Q423 PolarHBondContact O-N 3.41Å; Q423-S427 PolarHBondContact O-N 2.89Å
424H54.8Low50.4Low150 Ų150109.2 Ų109.269%0.69457%0.571SS**Hα-helixtrans-68.7-39.4174.1-95.6-81.4000112.9Q420 T421 E422 S427Q420-H424 PolarHBondContact O-N 3.47Å; T421-H424 PolarHBondContact O-N 2.77Å; E422-H424 VanDerWaalsContact C-N 3.34Å; E422-H424 PolarHBondContact O-N 3.33Å; H424-S427 PolarHBondContact O-OG 3.14Å
425V52.2Low49.8Very low57 Ų57113.7 Ų113.735%0.34559%0.588SS.*Hα-helixtrans-74-40-179.9173.70000112V395 T421 E422 S427 A428 L429V395-V425 HydrophobicContact CG2-CG1 4.44Å; T421-V425 WeakPolarHBondContact O-CG2 3.34Å; T421-V425 PolarHBondContact O-N 3.25Å; E422-V425 PolarHBondContact O-N 3.47Å; V425-S427 VanDerWaalsContact C-N 3.32Å; V425-S427 PolarHBondContact O-N 3.33Å; V425-A428 WeakPolarHBondContact O-CB 3.46Å; V425-A428 PolarHBondContact O-N 2.75Å; V425-L429 HydrophobicContact CG1-CD1 4.45Å; V425-L429 PolarHBondContact O-N 2.84Å
426L46.2Very low49.1Very low115 Ų115119.8 Ų119.860%0.60261%0.607SS**Hα-helixtrans-62.4-36178.2-77166.3000112.8E422 A428 T430E422-L426 WeakPolarHBondContact O-CB 3.4Å; E422-L426 VanDerWaalsContact O-CG 3.32Å; E422-L426 WeakPolarHBondContact O-CG 3.36Å; E422-L426 PolarHBondContact O-N 2.98Å; L426-A428 PolarHBondContact O-N 2.95Å; L426-T430 PolarHBondContact O-OG1 3.34Å
427S48.8Very low47.6Very low88 Ų88119.1 Ų119.162%0.61561%0.611SS**Hα-helixtrans-70.2-19.8175.577.60000113.8Q423 H424 V425Q423-S427 PolarHBondContact O-N 2.89Å; H424-S427 PolarHBondContact O-OG 3.14Å; V425-S427 VanDerWaalsContact C-N 3.32Å; V425-S427 PolarHBondContact O-N 3.33Å
428A48.8Very low46Very low65 Ų65119.8 Ų119.854%0.53761%0.614SS.*Hα-helixtrans-86.3-46.4172.800000112.3V425 L426 T430V425-A428 WeakPolarHBondContact O-CB 3.46Å; V425-A428 PolarHBondContact O-N 2.75Å; L426-A428 PolarHBondContact O-N 2.95Å; A428-T430 PolarHBondContact O-N 3.23Å; A428-T430 VanDerWaalsContact O-N 3.17Å
429L39.4Very low45Very low75 Ų75123 Ų12339%0.39363%0.629SS.*Hα-helixtrans-69.1-16.2-170-134.483.3000114.8V425 K431V425-L429 HydrophobicContact CG1-CD1 4.45Å; V425-L429 PolarHBondContact O-N 2.84Å; L429-K431 PolarHBondContact O-N 3Å
430T41.6Very low43.5Very low119 Ų119122.2 Ų122.273%0.7364%0.636SS**THydrogen-bonded Turntrans-68.55.7-176.2-57.30000113.8L426 A428L426-T430 PolarHBondContact O-OG1 3.34Å; A428-T430 PolarHBondContact O-N 3.23Å; A428-T430 VanDerWaalsContact O-N 3.17Å
431K47.1Very low41.8Very low188 Ų188123 Ų12382%0.81765%0.648SS**THydrogen-bonded Turntrans-111-13.7-172-73.1-176.4175.8178.10117.9L429L429-K431 PolarHBondContact O-N 3Å
432S40.1Very low40.6Very low77 Ų77124.2 Ų124.254%0.53866%0.66SS.*  trans-128.67.9-168.4-610000117.6D388 R434D388-S432 WeakPolarHBondContact OD2-CB 3.39Å; D388-S432 PolarHBondContact OD2-OG 2.99Å; S432-R434 PolarHBondContact O-N 3.22Å
433L32Very low39.6Very low137 Ų137124.1 Ų124.172%0.71767%0.67SS**  trans-79.6108.3-173.8-80.3166.4000114.5
434R34.4Very low38.5Very low233 Ų233124.3 Ų124.388%0.87968%0.675SS**  trans-172.2127.2150.9-106.4158.2-172.1-177.62.7115.8S432S432-R434 PolarHBondContact O-N 3.22Å
435N36.9Very low37.2Very low149 Ų149128.1 Ų128.180%0.79769%0.685SS**  trans99.5151.6153.5-55.60.4000121.1
436H36.7Very low36.1Very low180 Ų180129.8 Ų129.883%0.83370%0.704SS**  trans-152.5176.8-156.1-98.1-126.6000110.3
437S34.3Very low36Very low89 Ų89130 Ų13062%0.62271%0.713SS**  cis-168.3-160.5-16.950.10000107.7
438E33Very low35.2Very low149 Ų149131.2 Ų131.270%0.69672%0.721SS**  cis-167.2-1595.3-141.5151.510700112.2
439H31.6Very low34.3Very low161 Ų161136.9 Ų136.975%0.74574%0.739SS**  trans81150.2170.3-57.9-55.3000119.6
440T30.6Very low33.9Very low118 Ų118137.9 Ų137.972%0.72476%0.758SS**  cis91.6148.71571.90000116.7
441V29.1Very low33.4Very low133 Ų133136.4 Ų136.481%0.80676%0.758SS**  cis-152.2160.638.41770000115.5
442S30.1Very low32.6Very low106 Ų106135.1 Ų135.174%0.74176%0.759SS**  trans-80-177.6-178.1-18.80000117
443S31.4Very low32Very low91 Ų91137.8 Ų137.864%0.63677%0.772SS**  cis177.4171.4-17.546.50000113.6
444N30Very low32Very low131 Ų131135.8 Ų135.870%0.70177%0.774SS**  trans93.5134.9153.3-57-21000123.2
445Y27.9Very low31.8Very low230 Ų230130.4 Ų130.490%0.90277%0.773SS**  -178-177.3101.9-107-78.1000114.4
446A28.5Very low31.6Very low91 Ų91126.3 Ų126.375%0.75277%0.766SS**  trans-134.7172.6-15300000117
447P43.4Very low31.8Very low121 Ų121127.9 Ų127.979%0.78677%0.773SS**  trans-118-179.9-165.443.7-34.4000116.8
448S32Very low32.7Very low112 Ų112131.8 Ų131.878%0.78378%0.782SS**  trans178.5165.2148.648.90000115.7
449M30.6Very low34.2Very low185 Ų185128 Ų12891%0.91177%0.766SS**  trans124.8157.1151.7-68.1-61.2-128.900118.6
450A30.3Very low36.3Very low96 Ų96122.9 Ų122.979%0.79375%0.747SS**  trans-153.9-171.3-174.300000109.7
451A31.6Very low38.6Very low88 Ų88122.8 Ų122.873%0.72775%0.748SS**  cis-161.7-153.412.400000110.7
452L30Very low41.3Very low160 Ų160118.5 Ų118.584%0.83872%0.723SS**  trans111.1116.6153-59.3169.5000120.6
453V28.5Very low43.8Very low134 Ų134117.9 Ų117.981%0.81272%0.719SS**  37122.7128.5-170.70000121.2
454A31.4Very low46.5Very low94 Ų94118 Ų11878%0.77771%0.708SS**  -175.1151.6124.600000115
455S30.8Very low49.2Very low120 Ų120116 Ų11684%0.83970%0.702SS**  trans-53.2145.4-179.851.50000119.3
456G31.6Very low52Low63 Ų63106.3 Ų106.365%0.64967%0.665SS**SBendtrans123.4144.8162.500000113.1Q458G456-Q458 VanDerWaalsContact C-N 3.26Å; G456-Q458 PolarHBondContact O-N 2.93Å
457Q40.4Very low54.8Low214 Ų214105.6 Ų105.6100%165%0.648SS**  trans-71.978.5178.4-77.7-177.1-42.900111.5
458Q54.7Low56.7Low171 Ų171101.6 Ų101.680%0.79963%0.625SS**  trans-111132.4163.7-66.4-177.7-9400108.3G456G456-Q458 VanDerWaalsContact C-N 3.26Å; G456-Q458 PolarHBondContact O-N 2.93Å
459L64Low59.2Low70 Ų70102.3 Ų102.337%0.36663%0.625SS.*PPolyproline II helixtrans-61.1138.7170-65.9166.7000108.3I485 Y494L459-I485 HydrophobicContact CD2-CG2 4.2Å; L459-Y494 HydrophobicContact CB-CD1 4Å; L459-Y494 HydrophobicContact CB-CE1 3.82Å; L459-Y494 HydrophobicContact CB-CE2 4.47Å; L459-Y494 HydrophobicContact CB-CG 4.39Å; L459-Y494 HydrophobicContact CD1-CD1 4.3Å; L459-Y494 HydrophobicContact CD1-CD2 3.79Å; L459-Y494 HydrophobicContact CD1-CE2 4.17Å; L459-Y494 HydrophobicContact CD1-CG 3.84Å; L459-Y494 HydrophobicContact CD2-CD1 3.92Å; L459-Y494 HydrophobicContact CD2-CG 4Å; L459-Y494 HydrophobicContact CG-CD1 4.29Å; L459-Y494 HydrophobicContact CG-CG 4.29Å
460P76.3Confident61.8Low52 Ų5296 Ų9634%0.33860%0.596SS.*PPolyproline II helixtrans-61.4141-177.126.7-35000109.9I485 Y494 P496P460-I485 HydrophobicContact CG-CD1 3.61Å; P460-Y494 HydrophobicContact CG-CE1 4.34Å; P460-Y494 PolarHBondContact O-OH 3.37Å; P460-Y494 VanDerWaalsContact O-OH 3.12Å; P460-P496 HydrophobicContact CG-CB 3.9Å
461P78.7Confident64.2Low116 Ų11691.5 Ų91.575%0.75356%0.559SS**PPolyproline II helixtrans-60.1136.9178.925.9-34000110S463P461-S463 PolarHBondContact O-N 3.05Å
462P84.8Confident66.5Low43 Ų4390.5 Ų90.528%0.27955%0.547SS..PPolyproline II helixtrans-65.3130.8-173.927.2-35.5000110.9F464 P465 P496 V497P462-F464 PolarHBondContact O-N 3.37Å; P462-P465 HydrophobicContact CG-CB 3.93Å; P462-P496 WeakPolarHBondContact CA-O 3.11Å; P462-V497 WeakPolarHBondContact CB-O 3.33Å
463S83.9Confident69.1Low93 Ų9388.1 Ų88.165%0.6554%0.539SS*.SBendtrans-71.5-19.4-177.861.80000113.7P461 P496 V497P461-S463 PolarHBondContact O-N 3.05Å; S463-P496 PolarHBondContact N-O 2.94Å; S463-V497 PolarHBondContact N-O 2.99Å
464F87.7Confident71.8Confident95 Ų9583.4 Ų83.442%0.41751%0.511SS..SBendtrans-143.777.4174.3-160.7-90.8000109.7P462 F466 T474 Y476 V497P462-F464 PolarHBondContact O-N 3.37Å; F464-F466 PolarHBondContact O-N 3.32Å; F464-T474 HydrophobicContact CE1-CG2 3.93Å; F464-T474 HydrophobicContact CZ-CG2 4.35Å; F464-Y476 AromaticContact CD1-CD1 3.61Å; F464-Y476 HydrophobicContact CD1-CD1 3.61Å; F464-Y476 AromaticContact CD1-CE1 3.77Å; F464-Y476 HydrophobicContact CD1-CE1 3.77Å; F464-Y476 AromaticContact CE1-CD1 3.83Å; F464-Y476 HydrophobicContact CE1-CD1 3.83Å; F464-Y476 AromaticContact CE1-CE1 3.91Å; F464-Y476 HydrophobicContact CE1-CE1 3.91Å; F464-V497 CarbonylContact C-O 3.57Å; F464-V497 HydrophobicContact CB-CG1 4.31Å; F464-V497 PolarHBondContact N-O 2.86Å
465P85.5Confident74.5Confident87 Ų8783.6 Ų83.657%0.56550%0.503SS*.  trans-57.2129.8-167.519.7-32.1000113.2P462P462-P465 HydrophobicContact CG-CB 3.93Å
466F88.2Confident77.2Confident28 Ų2878.3 Ų78.312%0.12346%0.464CS..  trans-62.3137.6172.3178.2-102000111.7F464 A468 A471 Y476 T498 L500 D511 Y518 Y527F464-F466 PolarHBondContact O-N 3.32Å; F466-A468 HydrophobicContact CE1-CB 4Å; F466-A468 HydrophobicContact CZ-CB 4.48Å; F466-A471 HydrophobicContact CD2-CB 4.48Å; F466-A471 HydrophobicContact CE2-CB 3.43Å; F466-A471 VanDerWaalsContact CE2-CB 3.43Å; F466-A471 HydrophobicContact CZ-CB 3.58Å; F466-Y476 HydrophobicContact CD2-CE1 4.34Å; F466-Y476 HydrophobicContact CD2-CE2 4.46Å; F466-Y476 AromaticContact CD2-CZ 3.89Å; F466-T498 VanDerWaalsContact CB-O 3.28Å; F466-T498 WeakPolarHBondContact CB-O 3.46Å; F466-T498 PolarHBondContact N-O 3.49Å; F466-L500 HydrophobicContact CB-CD1 4.42Å; F466-L500 HydrophobicContact CB-CD2 4.19Å; F466-L500 HydrophobicContact CB-CG 4.05Å; F466-L500 HydrophobicContact CD1-CD2 3.62Å; F466-L500 HydrophobicContact CD1-CG 4.37Å; F466-L500 HydrophobicContact CD2-CD1 3.88Å; F466-L500 HydrophobicContact CD2-CD2 4.22Å; F466-L500 HydrophobicContact CD2-CG 4.29Å; F466-L500 HydrophobicContact CE1-CD2 3.98Å; F466-L500 HydrophobicContact CE2-CD1 4.31Å; F466-L500 HydrophobicContact CG-CD1 4.1Å; F466-L500 HydrophobicContact CG-CD2 3.74Å; F466-L500 HydrophobicContact CG-CG 3.98Å; F466-L500 HydrophobicContact CZ-CD2 4.42Å; F466-D511 HydrophobicContact CD1-CB 4.19Å; F466-D511 HydrophobicContact CE1-CB 3.92Å; F466-Y518 HydrophobicContact CE1-CD2 4.3Å; F466-Y518 AromaticContact CE1-CE2 3.88Å; F466-Y518 HydrophobicContact CE1-CE2 3.88Å; F466-Y518 AromaticContact CZ-CD1 3.92Å; F466-Y518 HydrophobicContact CZ-CD1 3.92Å; F466-Y518 AromaticContact CZ-CD2 3.98Å; F466-Y518 HydrophobicContact CZ-CD2 3.98Å; F466-Y518 AromaticContact CZ-CE1 3.74Å; F466-Y518 HydrophobicContact CZ-CE1 3.74Å; F466-Y518 AromaticContact CZ-CE2 3.78Å; F466-Y518 HydrophobicContact CZ-CE2 3.78Å; F466-Y518 HydrophobicContact CZ-CG 4.07Å; F466-Y518 AromaticContact CZ-CZ 3.67Å; F466-Y527 HydrophobicContact CD2-CD2 4.45Å; F466-Y527 HydrophobicContact CE2-CG 4.4Å
467N86.3Confident79.8Confident76 Ų7678.5 Ų78.541%0.40645%0.454SS..  trans-129.1113.1171.4-179.2-15.3000109.9V469 T470 A471 Y476N467-V469 PolarHBondContact O-N 3.1Å; N467-V469 VanDerWaalsContact O-N 3.1Å; N467-V469 WeakPolarHBondContact OD1-CB 3.38Å; N467-V469 PolarHBondContact OD1-N 2.96Å; N467-T470 PolarHBondContact O-N 2.6Å; N467-T470 VanDerWaalsContact O-N 3.14Å; N467-A471 WeakPolarHBondContact O-CA 3.38Å; N467-A471 WeakPolarHBondContact O-CB 3.44Å; N467-A471 PolarHBondContact O-N 2.7Å; N467-Y476 PolarHBondContact N-OH 3.1Å
468A84.6Confident82Confident37 Ų3774.6 Ų74.631%0.30643%0.434SS..THydrogen-bonded Turntrans-53.7-29.6-18000000114.3F466 Y518F466-A468 HydrophobicContact CE1-CB 4Å; F466-A468 HydrophobicContact CZ-CB 4.48Å; A468-Y518 WeakPolarHBondContact CB-OH 3.36Å
469V83.2Confident83.5Confident127 Ų12767 Ų6777%0.7740%0.4SS*.THydrogen-bonded Turntrans-76.8-35-178.1-1750000112N467N467-V469 PolarHBondContact O-N 3.1Å; N467-V469 VanDerWaalsContact O-N 3.1Å; N467-V469 WeakPolarHBondContact OD1-CB 3.38Å; N467-V469 PolarHBondContact OD1-N 2.96Å
470T84.9Confident84.4Confident51 Ų5166.2 Ų66.231%0.31340%0.396SS..THydrogen-bonded Turntrans-104.9-1.1-179.968.50000113.2N467 S472 T473 T474N467-T470 PolarHBondContact O-N 2.6Å; N467-T470 VanDerWaalsContact O-N 3.14Å; T470-S472 PolarHBondContact O-N 3.06Å; T470-S472 VanDerWaalsContact O-N 3.08Å; T470-T473 PolarHBondContact O-N 3.1Å; T470-T473 PolarHBondContact O-OG1 2.96Å; T470-T474 VanDerWaalsContact CB-OG1 3.3Å; T470-T474 WeakPolarHBondContact CB-OG1 3.36Å; T470-T474 WeakPolarHBondContact O-CB 3.5Å; T470-T474 PolarHBondContact O-N 2.98Å; T470-T474 PolarHBondContact O-OG1 3.2Å; T470-T474 PolarHBondContact OG1-OG1 2.83Å
471A80.9Confident84.8Confident2 Ų267.7 Ų67.72%0.01740%0.404CS..THydrogen-bonded Turntrans-48.6-38.1-176.600000114.5F466 N467 Y518 T526 Y527F466-A471 HydrophobicContact CD2-CB 4.48Å; F466-A471 HydrophobicContact CE2-CB 3.43Å; F466-A471 VanDerWaalsContact CE2-CB 3.43Å; F466-A471 HydrophobicContact CZ-CB 3.58Å; N467-A471 WeakPolarHBondContact O-CA 3.38Å; N467-A471 WeakPolarHBondContact O-CB 3.44Å; N467-A471 PolarHBondContact O-N 2.7Å; A471-Y518 HydrophobicContact CB-CE1 4.38Å; A471-T526 WeakPolarHBondContact O-CB 3.36Å; A471-Y527 CarbonylContact C-O 3.4Å
472S80.5Confident85.2Confident67 Ų6766.5 Ų66.547%0.46940%0.399SS..THydrogen-bonded Turntrans-76.9-18.4-177.955.60000114.6T470T470-S472 PolarHBondContact O-N 3.06Å; T470-S472 VanDerWaalsContact O-N 3.08Å
473T84Confident85.2Confident111 Ų11170.2 Ų70.268%0.68141%0.41SS*.THydrogen-bonded Turntrans-119-15.4-176.756.20000114T470T470-T473 PolarHBondContact O-N 3.1Å; T470-T473 PolarHBondContact O-OG1 2.96Å
474T85.5Confident85.5Confident35 Ų3566.8 Ų66.822%0.21538%0.383CS..SBendtrans-85.4120.3177.2-57.60000110.4F464 T470 Y476 T526F464-T474 HydrophobicContact CE1-CG2 3.93Å; F464-T474 HydrophobicContact CZ-CG2 4.35Å; T470-T474 VanDerWaalsContact CB-OG1 3.3Å; T470-T474 WeakPolarHBondContact CB-OG1 3.36Å; T470-T474 WeakPolarHBondContact O-CB 3.5Å; T470-T474 PolarHBondContact O-N 2.98Å; T470-T474 PolarHBondContact O-OG1 3.2Å; T470-T474 PolarHBondContact OG1-OG1 2.83Å; T474-Y476 HydrophobicContact CG2-CD2 4.27Å; T474-Y476 HydrophobicContact CG2-CE1 4.35Å; T474-Y476 HydrophobicContact CG2-CE2 3.8Å; T474-Y476 WeakPolarHBondContact O-CD2 3.39Å; T474-Y476 VanDerWaalsContact O-CE2 3.26Å; T474-Y476 WeakPolarHBondContact O-CE2 3.36Å; T474-T526 VanDerWaalsContact O-CG2 3.27Å; T474-T526 WeakPolarHBondContact O-CG2 3.4Å
475T88.6Confident85.6Confident98 Ų9865.4 Ų65.460%0.60138%0.38SS*.  trans-71.8123.2170.6-48.70000110.1
476Y87.9Confident85.7Confident8 Ų866 Ų663%0.03137%0.371CS..  trans-106.8159175.3-67.4-93000110.6F464 F466 N467 T474 T498 S525 Y527F464-Y476 AromaticContact CD1-CD1 3.61Å; F464-Y476 HydrophobicContact CD1-CD1 3.61Å; F464-Y476 AromaticContact CD1-CE1 3.77Å; F464-Y476 HydrophobicContact CD1-CE1 3.77Å; F464-Y476 AromaticContact CE1-CD1 3.83Å; F464-Y476 HydrophobicContact CE1-CD1 3.83Å; F464-Y476 AromaticContact CE1-CE1 3.91Å; F464-Y476 HydrophobicContact CE1-CE1 3.91Å; F466-Y476 HydrophobicContact CD2-CE1 4.34Å; F466-Y476 HydrophobicContact CD2-CE2 4.46Å; F466-Y476 AromaticContact CD2-CZ 3.89Å; N467-Y476 PolarHBondContact N-OH 3.1Å; T474-Y476 HydrophobicContact CG2-CD2 4.27Å; T474-Y476 HydrophobicContact CG2-CE1 4.35Å; T474-Y476 HydrophobicContact CG2-CE2 3.8Å; T474-Y476 WeakPolarHBondContact O-CD2 3.39Å; T474-Y476 VanDerWaalsContact O-CE2 3.26Å; T474-Y476 WeakPolarHBondContact O-CE2 3.36Å; Y476-T498 HydrophobicContact CD1-CG2 3.98Å; Y476-S525 PolarHBondContact N-O 3.39Å; Y476-Y527 HydrophobicContact CD1-CD2 4.48Å; Y476-Y527 HydrophobicContact CD1-CE2 4.32Å; Y476-Y527 AromaticContact CD2-CD2 3.73Å; Y476-Y527 HydrophobicContact CD2-CD2 3.73Å; Y476-Y527 HydrophobicContact CD2-CE2 4.19Å; Y476-Y527 HydrophobicContact CE2-CD2 4.14Å; Y476-Y527 AromaticContact CG-CD2 3.93Å; Y476-Y527 HydrophobicContact CG-CD2 3.93Å; Y476-Y527 AromaticContact CG-CE2 3.9Å; Y476-Y527 HydrophobicContact CG-CE2 3.9Å
477P85.2Confident85.4Confident68 Ų6865.9 Ų65.944%0.44237%0.372SS..  trans-65.1157166.829.3-35.9000111.4V497 W520P477-V497 HydrophobicContact CG-CG1 3.63Å; P477-W520 WeakPolarHBondContact O-CH2 3.46Å
478F86.5Confident85Confident132 Ų13268.8 Ų68.858%0.57938%0.383SS*.  trans-61.1133.8-179.4176.3-94.1000112.2D480 W520F478-D480 PolarHBondContact O-N 3.49Å; F478-W520 HydrophobicContact CD2-CZ2 4.39Å; F478-W520 AromaticContact CD2-NE1 3.8Å
479P85.6Confident84.7Confident12 Ų1272.1 Ų72.18%0.07840%0.404CS..  trans-65.894-179.923.3-32.9000113T481 Y484 F509 W520P479-T481 PolarHBondContact O-N 2.94Å; P479-T481 VanDerWaalsContact O-N 3.13Å; P479-Y484 WeakPolarHBondContact CA-OH 3.47Å; P479-Y484 WeakPolarHBondContact CB-OH 3.33Å; P479-F509 HydrophobicContact CB-CE1 4.19Å; P479-F509 HydrophobicContact CB-CZ 3.78Å; P479-F509 HydrophobicContact CG-CZ 4.26Å; P479-W520 VanDerWaalsContact CD-CD2 3.45Å; P479-W520 HydrophobicContact CG-CB 4.13Å; P479-W520 HydrophobicContact CG-CD2 3.64Å; P479-W520 HydrophobicContact CG-CE3 4.17Å; P479-W520 HydrophobicContact CG-CG 3.6Å
480D84.3Confident84.7Confident52 Ų5268.4 Ų68.428%0.27838%0.382SS..  trans-81.988176.4-175.8-1.8000111.4F478 S482 K483 Y484F478-D480 PolarHBondContact O-N 3.49Å; D480-S482 PolarHBondContact O-N 3.14Å; D480-S482 WeakPolarHBondContact OD1-CB 3.34Å; D480-S482 PolarHBondContact OD1-N 3.26Å; D480-S482 VanDerWaalsContact OD1-N 3.08Å; D480-S482 PolarHBondContact OD1-OG 3.38Å; D480-S482 PolarHBondContact OD2-OG 3.34Å; D480-K483 HydrophobicContact CB-CD 4.19Å; D480-K483 HydrophobicContact CB-CG 4.42Å; D480-K483 PolarHBondContact O-N 2.86Å; D480-K483 WeakPolarHBondContact OD2-CD 3.39Å; D480-K483 VanDerWaalsContact OD2-CE 3.23Å; D480-K483 WeakPolarHBondContact OD2-CE 3.42Å; D480-K483 IonicContact OD2-NZ 2.84Å; D480-K483 PolarHBondContact OD2-NZ 3.36Å; D480-Y484 WeakPolarHBondContact O-CE1 3.3Å
481T85.1Confident84.7Confident84 Ų8472.8 Ų72.852%0.51539%0.392SS..G310 helixtrans-55-13.2177.2580000115.3P479 K483 Y484 Y502P479-T481 PolarHBondContact O-N 2.94Å; P479-T481 VanDerWaalsContact O-N 3.13Å; T481-K483 VanDerWaalsContact C-N 3.3Å; T481-Y484 HydrophobicContact CG2-CD2 4.26Å; T481-Y484 HydrophobicContact CG2-CE2 3.76Å; T481-Y502 HydrophobicContact CG2-CE1 4.44Å
482S85.6Confident85.1Confident91 Ų9174.4 Ų74.464%0.63640%0.399SS*.G310 helixtrans-77.7-13.3174.475.80000114D480D480-S482 PolarHBondContact O-N 3.14Å; D480-S482 WeakPolarHBondContact OD1-CB 3.34Å; D480-S482 PolarHBondContact OD1-N 3.26Å; D480-S482 VanDerWaalsContact OD1-N 3.08Å; D480-S482 PolarHBondContact OD1-OG 3.38Å; D480-S482 PolarHBondContact OD2-OG 3.34Å
483K85.2Confident85.7Confident121 Ų12175.4 Ų75.453%0.52639%0.393SS..G310 helixtrans-97.9-1.5179.6-66.6178.7176.5124.30114D480 T481 P496D480-K483 HydrophobicContact CB-CD 4.19Å; D480-K483 HydrophobicContact CB-CG 4.42Å; D480-K483 PolarHBondContact O-N 2.86Å; D480-K483 WeakPolarHBondContact OD2-CD 3.39Å; D480-K483 VanDerWaalsContact OD2-CE 3.23Å; D480-K483 WeakPolarHBondContact OD2-CE 3.42Å; D480-K483 IonicContact OD2-NZ 2.84Å; D480-K483 PolarHBondContact OD2-NZ 3.36Å; T481-K483 VanDerWaalsContact C-N 3.3Å; K483-P496 WeakPolarHBondContact O-CD 3.37Å; K483-P496 WeakPolarHBondContact O-CG 3.48Å
484Y90.7Very high86Confident20 Ų2071.1 Ų71.18%0.07837%0.365CS..PPolyproline II helixtrans-82.5135.5-171.2-59.1-11.4000112.4P479 D480 T481 Y494 D495 Y502 F509P479-Y484 WeakPolarHBondContact CA-OH 3.47Å; P479-Y484 WeakPolarHBondContact CB-OH 3.33Å; D480-Y484 WeakPolarHBondContact O-CE1 3.3Å; T481-Y484 HydrophobicContact CG2-CD2 4.26Å; T481-Y484 HydrophobicContact CG2-CE2 3.76Å; Y484-Y494 CarbonylContact C-O 3.54Å; Y484-Y494 VanDerWaalsContact CA-O 3.28Å; Y484-Y494 WeakPolarHBondContact CA-O 3.46Å; Y484-Y494 WeakPolarHBondContact CB-O 3.41Å; Y484-D495 HydrophobicContact CD1-CB 3.77Å; Y484-D495 HydrophobicContact CE1-CB 3.49Å; Y484-D495 VanDerWaalsContact CE1-CB 3.49Å; Y484-D495 VanDerWaalsContact CE1-OD1 3.28Å; Y484-D495 WeakPolarHBondContact CE1-OD1 3.38Å; Y484-D495 HydrophobicContact CG-CB 4.45Å; Y484-Y502 HydrophobicContact CD2-CD1 4.17Å; Y484-Y502 HydrophobicContact CD2-CG 4.14Å; Y484-Y502 HydrophobicContact CE2-CD1 4.29Å; Y484-Y502 HydrophobicContact CE2-CD2 4.42Å; Y484-Y502 AromaticContact CE2-CG 3.92Å; Y484-Y502 HydrophobicContact CE2-CG 3.92Å; Y484-F509 AromaticContact CE2-CE1 3.98Å; Y484-F509 HydrophobicContact CE2-CE1 3.98Å; Y484-F509 WeakPolarHBondContact OH-CE1 3.44Å
485I88.4Confident86.3Confident67 Ų6769.7 Ų69.734%0.34436%0.356SS..EExtended strand (participates in β ladder)trans-90119.6-176.4-58.7170.9000108.2L459 P460 D487 Y493 Y494 P496L459-I485 HydrophobicContact CD2-CG2 4.2Å; P460-I485 HydrophobicContact CG-CD1 3.61Å; I485-D487 PolarHBondContact O-N 3.48Å; I485-Y493 CarbonylContact O-C 3.57Å; I485-Y494 PolarHBondContact N-O 2.96Å; I485-Y494 PolarHBondContact O-N 2.75Å; I485-P496 HydrophobicContact CD1-CB 4.35Å
486Y88.1Confident86.2Confident98 Ų9866.4 Ų66.438%0.38434%0.336SS..EExtended strand (participates in β ladder)trans-70.4121.9178-175.3-111.3000111.2E488 R491 Y493Y486-E488 HydrophobicContact CE1-CB 4.2Å; Y486-R491 WeakPolarHBondContact OH-CD 3.45Å; Y486-R491 PolarHBondContact OH-NH1 3.42Å; Y486-Y493 HydrophobicContact CD2-CD1 4.01Å; Y486-Y493 HydrophobicContact CD2-CD2 4.11Å; Y486-Y493 AromaticContact CD2-CE1 3.71Å; Y486-Y493 HydrophobicContact CD2-CE1 3.71Å; Y486-Y493 AromaticContact CD2-CE2 3.82Å; Y486-Y493 HydrophobicContact CD2-CE2 3.82Å; Y486-Y493 HydrophobicContact CD2-CG 4.21Å; Y486-Y493 AromaticContact CD2-CZ 3.61Å; Y486-Y493 HydrophobicContact CE2-CE2 4.14Å; Y486-Y493 HydrophobicContact CG-CE1 4.2Å
487D81.9Confident86.3Confident27 Ų2767.7 Ų67.714%0.14435%0.345CS..  trans-96106.9171.7173.213.1000109.4I485 S489 T490 R491 F492I485-D487 PolarHBondContact O-N 3.48Å; D487-S489 VanDerWaalsContact CG-OG 3.3Å; D487-S489 PolarHBondContact O-N 2.89Å; D487-S489 WeakPolarHBondContact OD1-CB 3.34Å; D487-S489 PolarHBondContact OD1-N 2.71Å; D487-S489 PolarHBondContact OD1-OG 2.76Å; D487-S489 PolarHBondContact OD2-OG 2.85Å; D487-T490 VanDerWaalsContact CG-OG1 3.22Å; D487-T490 PolarHBondContact O-N 2.87Å; D487-T490 WeakPolarHBondContact OD2-CB 3.25Å; D487-T490 VanDerWaalsContact OD2-CG2 3.23Å; D487-T490 WeakPolarHBondContact OD2-CG2 3.22Å; D487-T490 PolarHBondContact OD2-OG1 2.88Å; D487-R491 WeakPolarHBondContact O-CA 3.47Å; D487-R491 PolarHBondContact O-N 3.08Å; D487-F492 PolarHBondContact N-O 2.72Å
488E77.5Confident86.5Confident137 Ų13764.6 Ų64.664%0.6433%0.325SS*.THydrogen-bonded Turntrans-64.6-25.3179.4-176.2163.4-146.400113Y486Y486-E488 HydrophobicContact CE1-CB 4.2Å
489S79.7Confident86.7Confident106 Ų10659.3 Ų59.374%0.74131%0.308SS*.THydrogen-bonded Turntrans-74.8-34.7-17876.30000113.1D487D487-S489 VanDerWaalsContact CG-OG 3.3Å; D487-S489 PolarHBondContact O-N 2.89Å; D487-S489 WeakPolarHBondContact OD1-CB 3.34Å; D487-S489 PolarHBondContact OD1-N 2.71Å; D487-S489 PolarHBondContact OD1-OG 2.76Å; D487-S489 PolarHBondContact OD2-OG 2.85Å
490T83.2Confident87Confident49 Ų4958.8 Ų58.830%0.30130%0.304SS..THydrogen-bonded Turntrans-105.5-10.1178.361.80000113.8D487 F492 M501D487-T490 VanDerWaalsContact CG-OG1 3.22Å; D487-T490 PolarHBondContact O-N 2.87Å; D487-T490 WeakPolarHBondContact OD2-CB 3.25Å; D487-T490 VanDerWaalsContact OD2-CG2 3.23Å; D487-T490 WeakPolarHBondContact OD2-CG2 3.22Å; D487-T490 PolarHBondContact OD2-OG1 2.88Å; T490-F492 PolarHBondContact O-N 2.81Å; T490-M501 HydrophobicContact CG2-CE 3.66Å; T490-M501 WeakPolarHBondContact OG1-CE 3.27Å
491R84.5Confident87.4Confident143 Ų14356.8 Ų56.854%0.5429%0.293SS..SBendtrans63.411.7-175.2-59-66.9-172174.6-6114.7Y486 D487Y486-R491 WeakPolarHBondContact OH-CD 3.45Å; Y486-R491 PolarHBondContact OH-NH1 3.42Å; D487-R491 WeakPolarHBondContact O-CA 3.47Å; D487-R491 PolarHBondContact O-N 3.08Å
492F89.9Confident87.8Confident37 Ų3754.6 Ų54.616%0.16228%0.276CS..SBendtrans-100.1169.1175.8-61.1-19.6000111.7D487 T490 M501 E503 Y510D487-F492 PolarHBondContact N-O 2.72Å; T490-F492 PolarHBondContact O-N 2.81Å; F492-M501 HydrophobicContact CB-CB 4.1Å; F492-M501 HydrophobicContact CB-CE 4.23Å; F492-M501 HydrophobicContact CD2-CB 3.94Å; F492-M501 HydrophobicContact CD2-CE 3.93Å; F492-M501 HydrophobicContact CG-CB 4.49Å; F492-E503 HydrophobicContact CD1-CB 4.01Å; F492-E503 HydrophobicContact CD1-CG 3.95Å; F492-E503 HydrophobicContact CE1-CB 3.93Å; F492-E503 HydrophobicContact CE1-CG 3.64Å; F492-E503 HydrophobicContact CZ-CG 4.49Å; F492-Y510 HydrophobicContact CE2-CD1 4.26Å; F492-Y510 HydrophobicContact CE2-CG 4.35Å
493Y91.6Very high88.1Confident87 Ų8751.9 Ų51.934%0.34125%0.253SS..EExtended strand (participates in β ladder)trans-106.3110.9176.7-74.2-91.5000109.8I485 Y486 Y502 P504I485-Y493 CarbonylContact O-C 3.57Å; Y486-Y493 HydrophobicContact CD2-CD1 4.01Å; Y486-Y493 HydrophobicContact CD2-CD2 4.11Å; Y486-Y493 AromaticContact CD2-CE1 3.71Å; Y486-Y493 HydrophobicContact CD2-CE1 3.71Å; Y486-Y493 AromaticContact CD2-CE2 3.82Å; Y486-Y493 HydrophobicContact CD2-CE2 3.82Å; Y486-Y493 HydrophobicContact CD2-CG 4.21Å; Y486-Y493 AromaticContact CD2-CZ 3.61Å; Y486-Y493 HydrophobicContact CE2-CE2 4.14Å; Y486-Y493 HydrophobicContact CG-CE1 4.2Å; Y493-Y502 PolarHBondContact N-O 3.45Å; Y493-Y502 WeakPolarHBondContact O-CB 3.11Å; Y493-Y502 PolarHBondContact O-N 2.69Å; Y493-P504 HydrophobicContact CD2-CB 4.33Å; Y493-P504 HydrophobicContact CD2-CG 4.23Å; Y493-P504 HydrophobicContact CE2-CB 4.05Å; Y493-P504 HydrophobicContact CE2-CG 3.98Å
494Y91.2Very high88.1Confident22 Ų2248.7 Ų48.79%0.08624%0.244CC..EExtended strand (participates in β ladder)trans-73.1126.5177.9179.8-103.6000111.5L459 P460 Y484 I485 P496 G499 M501L459-Y494 HydrophobicContact CB-CD1 4Å; L459-Y494 HydrophobicContact CB-CE1 3.82Å; L459-Y494 HydrophobicContact CB-CE2 4.47Å; L459-Y494 HydrophobicContact CB-CG 4.39Å; L459-Y494 HydrophobicContact CD1-CD1 4.3Å; L459-Y494 HydrophobicContact CD1-CD2 3.79Å; L459-Y494 HydrophobicContact CD1-CE2 4.17Å; L459-Y494 HydrophobicContact CD1-CG 3.84Å; L459-Y494 HydrophobicContact CD2-CD1 3.92Å; L459-Y494 HydrophobicContact CD2-CG 4Å; L459-Y494 HydrophobicContact CG-CD1 4.29Å; L459-Y494 HydrophobicContact CG-CG 4.29Å; P460-Y494 HydrophobicContact CG-CE1 4.34Å; P460-Y494 PolarHBondContact O-OH 3.37Å; P460-Y494 VanDerWaalsContact O-OH 3.12Å; Y484-Y494 CarbonylContact C-O 3.54Å; Y484-Y494 VanDerWaalsContact CA-O 3.28Å; Y484-Y494 WeakPolarHBondContact CA-O 3.46Å; Y484-Y494 WeakPolarHBondContact CB-O 3.41Å; I485-Y494 PolarHBondContact N-O 2.96Å; I485-Y494 PolarHBondContact O-N 2.75Å; Y494-P496 HydrophobicContact CE1-CB 4.39Å; Y494-P496 WeakPolarHBondContact O-CD 3.46Å; Y494-G499 WeakPolarHBondContact CE2-O 3.28Å; Y494-M501 HydrophobicContact CD2-CG 4.49Å
495D91.6Very high87.8Confident4 Ų454.2 Ų54.22%0.02128%0.276CS..  trans-84.9111.3171.2176.617.7000110.8Y484 V497 T498 G499 L500Y484-D495 HydrophobicContact CD1-CB 3.77Å; Y484-D495 HydrophobicContact CE1-CB 3.49Å; Y484-D495 VanDerWaalsContact CE1-CB 3.49Å; Y484-D495 VanDerWaalsContact CE1-OD1 3.28Å; Y484-D495 WeakPolarHBondContact CE1-OD1 3.38Å; Y484-D495 HydrophobicContact CG-CB 4.45Å; D495-V497 PolarHBondContact O-N 2.98Å; D495-V497 WeakPolarHBondContact OD1-CB 3.5Å; D495-V497 PolarHBondContact OD1-N 3.16Å; D495-T498 WeakPolarHBondContact OD2-CB 3.3Å; D495-T498 VanDerWaalsContact OD2-CG2 3.3Å; D495-T498 WeakPolarHBondContact OD2-CG2 3.29Å; D495-T498 PolarHBondContact OD2-N 3.23Å; D495-T498 VanDerWaalsContact OD2-N 3.11Å; D495-T498 PolarHBondContact OD2-OG1 3.4Å; D495-G499 VanDerWaalsContact O-CA 3.28Å; D495-G499 WeakPolarHBondContact O-CA 3.38Å; D495-G499 PolarHBondContact O-N 2.83Å; D495-L500 PolarHBondContact N-O 3.35Å
496P86.8Confident87.7Confident30 Ų3053 Ų5320%0.19527%0.272CS..THydrogen-bonded Turntrans-71.5-4.9177.732.9-37.5000113.8P460 P462 S463 K483 I485 Y494P460-P496 HydrophobicContact CG-CB 3.9Å; P462-P496 WeakPolarHBondContact CA-O 3.11Å; S463-P496 PolarHBondContact N-O 2.94Å; K483-P496 WeakPolarHBondContact O-CD 3.37Å; K483-P496 WeakPolarHBondContact O-CG 3.48Å; I485-P496 HydrophobicContact CD1-CB 4.35Å; Y494-P496 HydrophobicContact CE1-CB 4.39Å; Y494-P496 WeakPolarHBondContact O-CD 3.46Å
497V89.9Confident87.8Confident35 Ų3555 Ų5521%0.21228%0.283CS..THydrogen-bonded Turntrans-84.9-60.4172.2-174.10000110.2P462 S463 F464 P477 D495P462-V497 WeakPolarHBondContact CB-O 3.33Å; S463-V497 PolarHBondContact N-O 2.99Å; F464-V497 CarbonylContact C-O 3.57Å; F464-V497 HydrophobicContact CB-CG1 4.31Å; F464-V497 PolarHBondContact N-O 2.86Å; P477-V497 HydrophobicContact CG-CG1 3.63Å; D495-V497 PolarHBondContact O-N 2.98Å; D495-V497 WeakPolarHBondContact OD1-CB 3.5Å; D495-V497 PolarHBondContact OD1-N 3.16Å
498T89.6Confident88.3Confident3 Ų358 Ų582%0.01829%0.293CS..THydrogen-bonded Turntrans-91.1-23.4-17462.70000114.8F466 Y476 D495 L500 Y527F466-T498 VanDerWaalsContact CB-O 3.28Å; F466-T498 WeakPolarHBondContact CB-O 3.46Å; F466-T498 PolarHBondContact N-O 3.49Å; Y476-T498 HydrophobicContact CD1-CG2 3.98Å; D495-T498 WeakPolarHBondContact OD2-CB 3.3Å; D495-T498 VanDerWaalsContact OD2-CG2 3.3Å; D495-T498 WeakPolarHBondContact OD2-CG2 3.29Å; D495-T498 PolarHBondContact OD2-N 3.23Å; D495-T498 VanDerWaalsContact OD2-N 3.11Å; D495-T498 PolarHBondContact OD2-OG1 3.4Å; T498-L500 VanDerWaalsContact C-N 3.31Å; T498-L500 WeakPolarHBondContact OG1-CB 3.45Å; T498-L500 WeakPolarHBondContact OG1-CG 3.14Å; T498-L500 PolarHBondContact OG1-N 3.28Å; T498-Y527 HydrophobicContact CG2-CE2 3.77Å
499G89.8Confident89.1Confident21 Ų2151.9 Ų51.922%0.21627%0.265CS..  trans832.7-170.700000114.6Y494 D495Y494-G499 WeakPolarHBondContact CE2-O 3.28Å; D495-G499 VanDerWaalsContact O-CA 3.28Å; D495-G499 WeakPolarHBondContact O-CA 3.38Å; D495-G499 PolarHBondContact O-N 2.83Å
500L92.2Very high89.7Confident0 Ų049.1 Ų49.10%024%0.238CC..  trans-74.9154.2176.6-67169.1000111.9F466 D495 T498 F509 D511 Y527F466-L500 HydrophobicContact CB-CD1 4.42Å; F466-L500 HydrophobicContact CB-CD2 4.19Å; F466-L500 HydrophobicContact CB-CG 4.05Å; F466-L500 HydrophobicContact CD1-CD2 3.62Å; F466-L500 HydrophobicContact CD1-CG 4.37Å; F466-L500 HydrophobicContact CD2-CD1 3.88Å; F466-L500 HydrophobicContact CD2-CD2 4.22Å; F466-L500 HydrophobicContact CD2-CG 4.29Å; F466-L500 HydrophobicContact CE1-CD2 3.98Å; F466-L500 HydrophobicContact CE2-CD1 4.31Å; F466-L500 HydrophobicContact CG-CD1 4.1Å; F466-L500 HydrophobicContact CG-CD2 3.74Å; F466-L500 HydrophobicContact CG-CG 3.98Å; F466-L500 HydrophobicContact CZ-CD2 4.42Å; D495-L500 PolarHBondContact N-O 3.35Å; T498-L500 VanDerWaalsContact C-N 3.31Å; T498-L500 WeakPolarHBondContact OG1-CB 3.45Å; T498-L500 WeakPolarHBondContact OG1-CG 3.14Å; T498-L500 PolarHBondContact OG1-N 3.28Å; L500-F509 HydrophobicContact CB-CB 4.13Å; L500-F509 HydrophobicContact CB-CD1 4.25Å; L500-F509 HydrophobicContact CD1-CB 3.96Å; L500-F509 HydrophobicContact CD1-CD1 4.46Å; L500-F509 HydrophobicContact CD1-CG 4.43Å; L500-F509 HydrophobicContact CG-CB 4.47Å; L500-D511 HydrophobicContact CD2-CB 3.71Å; L500-Y527 HydrophobicContact CD1-CD1 3.83Å; L500-Y527 HydrophobicContact CD1-CD2 4.16Å; L500-Y527 HydrophobicContact CD1-CE1 3.76Å; L500-Y527 HydrophobicContact CD1-CE2 4.1Å; L500-Y527 HydrophobicContact CD1-CG 4.03Å
501M92.4Very high90Very high10 Ų1048 Ų485%0.04923%0.23CC..EExtended strand (participates in β ladder)trans-107102.1179.2-57.8176.472.100110T490 F492 Y494 Y510 R512T490-M501 HydrophobicContact CG2-CE 3.66Å; T490-M501 WeakPolarHBondContact OG1-CE 3.27Å; F492-M501 HydrophobicContact CB-CB 4.1Å; F492-M501 HydrophobicContact CB-CE 4.23Å; F492-M501 HydrophobicContact CD2-CB 3.94Å; F492-M501 HydrophobicContact CD2-CE 3.93Å; F492-M501 HydrophobicContact CG-CB 4.49Å; Y494-M501 HydrophobicContact CD2-CG 4.49Å; M501-Y510 WeakPolarHBondContact CB-O 3.08Å; M501-Y510 PolarHBondContact N-O 3.03Å; M501-Y510 WeakPolarHBondContact O-CB 3.49Å; M501-Y510 PolarHBondContact O-N 3.46Å; M501-Y510 HydrophobicContact SD-CD1 4.24Å; M501-R512 HydrophobicContact SD-CB 4.21Å
502Y94.2Very high90.1Very high38 Ų3849.5 Ų49.515%0.14924%0.236CC..EExtended strand (participates in β ladder)trans-75.8122.1-179.4177.3-103.2000111.9T481 Y484 Y493 K507 F509T481-Y502 HydrophobicContact CG2-CE1 4.44Å; Y484-Y502 HydrophobicContact CD2-CD1 4.17Å; Y484-Y502 HydrophobicContact CD2-CG 4.14Å; Y484-Y502 HydrophobicContact CE2-CD1 4.29Å; Y484-Y502 HydrophobicContact CE2-CD2 4.42Å; Y484-Y502 AromaticContact CE2-CG 3.92Å; Y484-Y502 HydrophobicContact CE2-CG 3.92Å; Y493-Y502 PolarHBondContact N-O 3.45Å; Y493-Y502 WeakPolarHBondContact O-CB 3.11Å; Y493-Y502 PolarHBondContact O-N 2.69Å; Y502-K507 HydrophobicContact CE2-CB 4.1Å; Y502-K507 WeakPolarHBondContact OH-CG 3.4Å; Y502-F509 AromaticContact CD2-CD1 3.97Å; Y502-F509 HydrophobicContact CD2-CD1 3.97Å; Y502-F509 HydrophobicContact CD2-CD2 4.43Å; Y502-F509 AromaticContact CD2-CE1 3.56Å; Y502-F509 HydrophobicContact CD2-CE1 3.56Å; Y502-F509 HydrophobicContact CD2-CE2 4.06Å; Y502-F509 HydrophobicContact CD2-CG 4.39Å; Y502-F509 AromaticContact CD2-CZ 3.61Å; Y502-F509 HydrophobicContact CD2-CZ 3.61Å; Y502-F509 HydrophobicContact CE2-CE1 4.43Å; Y502-F509 HydrophobicContact CE2-CE2 4.33Å; Y502-F509 HydrophobicContact CE2-CZ 4.04Å; Y502-F509 HydrophobicContact CG-CE1 4.17Å
503E91.6Very high89.7Confident35 Ų3550.8 Ų50.816%0.16426%0.26CS..  trans-89123.2172.4-173.3-164.417800110.5F492 N505 S506 K507 Y508F492-E503 HydrophobicContact CD1-CB 4.01Å; F492-E503 HydrophobicContact CD1-CG 3.95Å; F492-E503 HydrophobicContact CE1-CB 3.93Å; F492-E503 HydrophobicContact CE1-CG 3.64Å; F492-E503 HydrophobicContact CZ-CG 4.49Å; E503-N505 VanDerWaalsContact C-N 3.3Å; E503-N505 HydrophobicContact CG-CB 4.41Å; E503-N505 PolarHBondContact O-N 2.61Å; E503-N505 WeakPolarHBondContact OE1-CB 3.45Å; E503-N505 PolarHBondContact OE1-ND2 3.38Å; E503-S506 WeakPolarHBondContact OE2-CB 3.24Å; E503-S506 PolarHBondContact OE2-OG 2.85Å; E503-K507 VanDerWaalsContact O-CA 3.26Å; E503-K507 WeakPolarHBondContact O-CA 3.22Å; E503-K507 PolarHBondContact O-N 3.01Å; E503-Y508 PolarHBondContact N-O 3.25Å
504P85.9Confident89.3Confident53 Ų5348.5 Ų48.534%0.34426%0.257SS..THydrogen-bonded Turntrans-71-21.1-176.430.5-36.9000114.2Y493Y493-P504 HydrophobicContact CD2-CB 4.33Å; Y493-P504 HydrophobicContact CD2-CG 4.23Å; Y493-P504 HydrophobicContact CE2-CB 4.05Å; Y493-P504 HydrophobicContact CE2-CG 3.98Å
505N83.7Confident89.1Confident137 Ų13754 Ų5473%0.73328%0.283SS*.THydrogen-bonded Turntrans-81.5-51.6-178-51.5-52.4000112.1E503E503-N505 VanDerWaalsContact C-N 3.3Å; E503-N505 HydrophobicContact CG-CB 4.41Å; E503-N505 PolarHBondContact O-N 2.61Å; E503-N505 WeakPolarHBondContact OE1-CB 3.45Å; E503-N505 PolarHBondContact OE1-ND2 3.38Å
506S87.5Confident88.9Confident40 Ų4058 Ų5828%0.2830%0.302SS..THydrogen-bonded Turntrans-82.5-23.1179.865.50000113.2E503 Y508E503-S506 WeakPolarHBondContact OE2-CB 3.24Å; E503-S506 PolarHBondContact OE2-OG 2.85Å; S506-Y508 PolarHBondContact O-N 3.09Å; S506-Y508 PolarHBondContact OG-N 2.98Å
507K89.4Confident89.1Confident141 Ų14159.8 Ų59.861%0.61331%0.305SS*.  trans63.122.9-169.7-49.1-169.8177-171.50114Y502 E503Y502-K507 HydrophobicContact CE2-CB 4.1Å; Y502-K507 WeakPolarHBondContact OH-CG 3.4Å; E503-K507 VanDerWaalsContact O-CA 3.26Å; E503-K507 WeakPolarHBondContact O-CA 3.22Å; E503-K507 PolarHBondContact O-N 3.01Å
508Y92.9Very high89.3Confident91 Ų9158.6 Ų58.636%0.35730%0.297SS..  trans-95.8160.2173.3-60-40.7000111.9E503 S506 Y518 V530E503-Y508 PolarHBondContact N-O 3.25Å; S506-Y508 PolarHBondContact O-N 3.09Å; S506-Y508 PolarHBondContact OG-N 2.98Å; Y508-Y518 WeakPolarHBondContact CA-O 3.45Å; Y508-Y518 WeakPolarHBondContact CB-O 3.36Å; Y508-V530 HydrophobicContact CD1-CG2 3.63Å; Y508-V530 HydrophobicContact CD2-CG1 4.42Å; Y508-V530 HydrophobicContact CD2-CG2 4.05Å; Y508-V530 HydrophobicContact CE1-CG2 3.76Å; Y508-V530 HydrophobicContact CE2-CG1 3.95Å; Y508-V530 HydrophobicContact CE2-CG2 4.17Å; Y508-V530 HydrophobicContact CG-CG2 3.79Å
509F93Very high89.5Confident8 Ų862.9 Ų62.94%0.03531%0.313CS..EExtended strand (participates in β ladder)trans-105.7109179.2-63.8-89.9000108.6P479 Y484 L500 Y502 Y517 Y518 W520 Y527P479-F509 HydrophobicContact CB-CE1 4.19Å; P479-F509 HydrophobicContact CB-CZ 3.78Å; P479-F509 HydrophobicContact CG-CZ 4.26Å; Y484-F509 AromaticContact CE2-CE1 3.98Å; Y484-F509 HydrophobicContact CE2-CE1 3.98Å; Y484-F509 WeakPolarHBondContact OH-CE1 3.44Å; L500-F509 HydrophobicContact CB-CB 4.13Å; L500-F509 HydrophobicContact CB-CD1 4.25Å; L500-F509 HydrophobicContact CD1-CB 3.96Å; L500-F509 HydrophobicContact CD1-CD1 4.46Å; L500-F509 HydrophobicContact CD1-CG 4.43Å; L500-F509 HydrophobicContact CG-CB 4.47Å; Y502-F509 AromaticContact CD2-CD1 3.97Å; Y502-F509 HydrophobicContact CD2-CD1 3.97Å; Y502-F509 HydrophobicContact CD2-CD2 4.43Å; Y502-F509 AromaticContact CD2-CE1 3.56Å; Y502-F509 HydrophobicContact CD2-CE1 3.56Å; Y502-F509 HydrophobicContact CD2-CE2 4.06Å; Y502-F509 HydrophobicContact CD2-CG 4.39Å; Y502-F509 AromaticContact CD2-CZ 3.61Å; Y502-F509 HydrophobicContact CD2-CZ 3.61Å; Y502-F509 HydrophobicContact CE2-CE1 4.43Å; Y502-F509 HydrophobicContact CE2-CE2 4.33Å; Y502-F509 HydrophobicContact CE2-CZ 4.04Å; Y502-F509 HydrophobicContact CG-CE1 4.17Å; F509-Y517 CarbonylContact O-C 3.6Å; F509-Y517 WeakPolarHBondContact O-CA 3.36Å; F509-Y518 PolarHBondContact N-O 3.16Å; F509-Y518 PolarHBondContact O-N 3.33Å; F509-W520 HydrophobicContact CE2-CB 4.1Å; F509-Y527 HydrophobicContact CB-CD1 4.4Å; F509-Y527 HydrophobicContact CB-CE1 4.34Å; F509-Y527 AromaticContact CD1-CE1 3.91Å; F509-Y527 HydrophobicContact CD1-CE1 3.91Å; F509-Y527 HydrophobicContact CD2-CD1 4.02Å; F509-Y527 AromaticContact CD2-CE1 3.69Å; F509-Y527 HydrophobicContact CD2-CE1 3.69Å; F509-Y527 HydrophobicContact CE1-CE1 4.1Å; F509-Y527 AromaticContact CE2-CE1 3.9Å; F509-Y527 HydrophobicContact CE2-CE1 3.9Å; F509-Y527 HydrophobicContact CG-CD1 4.14Å; F509-Y527 AromaticContact CG-CE1 3.7Å; F509-Y527 HydrophobicContact CG-CE1 3.7Å; F509-Y527 HydrophobicContact CZ-CE1 4.1Å
510Y92.6Very high89.6Confident48 Ų4863.8 Ų63.819%0.18831%0.31CS..EExtended strand (participates in β ladder)trans-84.6125.4177.3-178.8-103.3000110.3F492 M501 Q515 Y517F492-Y510 HydrophobicContact CE2-CD1 4.26Å; F492-Y510 HydrophobicContact CE2-CG 4.35Å; M501-Y510 WeakPolarHBondContact CB-O 3.08Å; M501-Y510 PolarHBondContact N-O 3.03Å; M501-Y510 WeakPolarHBondContact O-CB 3.49Å; M501-Y510 PolarHBondContact O-N 3.46Å; M501-Y510 HydrophobicContact SD-CD1 4.24Å; Y510-Q515 HydrophobicContact CE2-CB 4.48Å; Y510-Q515 WeakPolarHBondContact CE2-O 3.43Å; Y510-Y517 HydrophobicContact CD2-CD1 4.16Å; Y510-Y517 HydrophobicContact CD2-CD2 4.09Å; Y510-Y517 AromaticContact CD2-CE1 3.93Å; Y510-Y517 HydrophobicContact CD2-CE1 3.93Å; Y510-Y517 AromaticContact CD2-CE2 3.83Å; Y510-Y517 HydrophobicContact CD2-CE2 3.83Å; Y510-Y517 HydrophobicContact CD2-CG 4.25Å; Y510-Y517 AromaticContact CD2-CZ 3.75Å; Y510-Y517 HydrophobicContact CE2-CE2 4.28Å; Y510-Y517 HydrophobicContact CG-CE1 4.27Å
511D90.8Very high89.5Confident24 Ų2465 Ų6513%0.12832%0.316CS..  trans-92.2121.7169.7171.726.7000110.1F466 L500 G513 S514 Q515 Q516 Y518F466-D511 HydrophobicContact CD1-CB 4.19Å; F466-D511 HydrophobicContact CE1-CB 3.92Å; L500-D511 HydrophobicContact CD2-CB 3.71Å; D511-G513 VanDerWaalsContact C-N 3.26Å; D511-G513 PolarHBondContact O-N 3.22Å; D511-G513 PolarHBondContact OD1-N 3.24Å; D511-S514 WeakPolarHBondContact CB-OG 3.41Å; D511-S514 WeakPolarHBondContact OD2-CB 2.91Å; D511-S514 PolarHBondContact OD2-N 3.34Å; D511-S514 PolarHBondContact OD2-OG 2.88Å; D511-Q515 WeakPolarHBondContact O-CA 3.36Å; D511-Q515 PolarHBondContact O-N 3.46Å; D511-Q516 PolarHBondContact N-O 3.03Å; D511-Y518 HydrophobicContact CB-CD2 4.28Å; D511-Y518 HydrophobicContact CB-CE2 3.94Å
512R85.1Confident89.3Confident175 Ų17569.9 Ų69.966%0.6634%0.339SS*.THydrogen-bonded Turntrans-69.7-21177.5-171172180160.81.2113.1M501M501-R512 HydrophobicContact SD-CB 4.21Å
513G82.2Confident89Confident65 Ų6574 Ų7467%0.6737%0.368SS*.THydrogen-bonded Turntrans-76.9-60.6177.300000112.7D511D511-G513 VanDerWaalsContact C-N 3.26Å; D511-G513 PolarHBondContact O-N 3.22Å; D511-G513 PolarHBondContact OD1-N 3.24Å
514S82.5Confident88.7Confident39 Ų3977.4 Ų77.427%0.27338%0.383SS..THydrogen-bonded Turntrans-79.6-13.617962.50000114.7D511 Q516D511-S514 WeakPolarHBondContact CB-OG 3.41Å; D511-S514 WeakPolarHBondContact OD2-CB 2.91Å; D511-S514 PolarHBondContact OD2-N 3.34Å; D511-S514 PolarHBondContact OD2-OG 2.88Å; S514-Q516 PolarHBondContact O-N 3.12Å; S514-Q516 PolarHBondContact OG-N 3.33Å
515Q87.1Confident88.9Confident137 Ų13776.7 Ų76.764%0.6438%0.379SS*.  trans59.223.3-172.4-53.3-175.820.900114Y510 D511Y510-Q515 HydrophobicContact CE2-CB 4.48Å; Y510-Q515 WeakPolarHBondContact CE2-O 3.43Å; D511-Q515 WeakPolarHBondContact O-CA 3.36Å; D511-Q515 PolarHBondContact O-N 3.46Å
516Q88Confident89.3Confident87 Ų8770.4 Ų70.441%0.40735%0.346SS..  trans-105.3153.1179.2-64.8-17416.300112.2D511 S514 Y518D511-Q516 PolarHBondContact N-O 3.03Å; S514-Q516 PolarHBondContact O-N 3.12Å; S514-Q516 PolarHBondContact OG-N 3.33Å; Q516-Y518 HydrophobicContact CB-CE2 3.77Å
517Y91.6Very high89.5Confident69 Ų6968.6 Ų68.627%0.27133%0.333SS..EExtended strand (participates in β ladder)trans-91.7137.8169.6-72.6-86.7000109.7F509 Y510 V530F509-Y517 CarbonylContact O-C 3.6Å; F509-Y517 WeakPolarHBondContact O-CA 3.36Å; Y510-Y517 HydrophobicContact CD2-CD1 4.16Å; Y510-Y517 HydrophobicContact CD2-CD2 4.09Å; Y510-Y517 AromaticContact CD2-CE1 3.93Å; Y510-Y517 HydrophobicContact CD2-CE1 3.93Å; Y510-Y517 AromaticContact CD2-CE2 3.83Å; Y510-Y517 HydrophobicContact CD2-CE2 3.83Å; Y510-Y517 HydrophobicContact CD2-CG 4.25Å; Y510-Y517 AromaticContact CD2-CZ 3.75Å; Y510-Y517 HydrophobicContact CE2-CE2 4.28Å; Y510-Y517 HydrophobicContact CG-CE1 4.27Å; Y517-V530 WeakPolarHBondContact O-CB 3.39Å; Y517-V530 WeakPolarHBondContact O-CG2 3.08Å; Y517-V530 PolarHBondContact O-N 2.85Å
518Y93.7Very high89.6Confident9 Ų962.9 Ų62.94%0.03531%0.309CS..EExtended strand (participates in β ladder)trans-120.9155.6176.1-65.3-97.5000110.3F466 A468 A471 Y508 F509 D511 Q516 L528 P529F466-Y518 HydrophobicContact CE1-CD2 4.3Å; F466-Y518 AromaticContact CE1-CE2 3.88Å; F466-Y518 HydrophobicContact CE1-CE2 3.88Å; F466-Y518 AromaticContact CZ-CD1 3.92Å; F466-Y518 HydrophobicContact CZ-CD1 3.92Å; F466-Y518 AromaticContact CZ-CD2 3.98Å; F466-Y518 HydrophobicContact CZ-CD2 3.98Å; F466-Y518 AromaticContact CZ-CE1 3.74Å; F466-Y518 HydrophobicContact CZ-CE1 3.74Å; F466-Y518 AromaticContact CZ-CE2 3.78Å; F466-Y518 HydrophobicContact CZ-CE2 3.78Å; F466-Y518 HydrophobicContact CZ-CG 4.07Å; F466-Y518 AromaticContact CZ-CZ 3.67Å; A468-Y518 WeakPolarHBondContact CB-OH 3.36Å; A471-Y518 HydrophobicContact CB-CE1 4.38Å; Y508-Y518 WeakPolarHBondContact CA-O 3.45Å; Y508-Y518 WeakPolarHBondContact CB-O 3.36Å; F509-Y518 PolarHBondContact N-O 3.16Å; F509-Y518 PolarHBondContact O-N 3.33Å; D511-Y518 HydrophobicContact CB-CD2 4.28Å; D511-Y518 HydrophobicContact CB-CE2 3.94Å; Q516-Y518 HydrophobicContact CB-CE2 3.77Å; Y518-L528 CarbonylContact C-O 3.49Å; Y518-L528 VanDerWaalsContact CA-O 3.24Å; Y518-L528 WeakPolarHBondContact CA-O 3.39Å; Y518-P529 HydrophobicContact CD1-CB 4.11Å; Y518-P529 HydrophobicContact CE1-CB 3.86Å; Y518-P529 HydrophobicContact CE1-CG 4.43Å
519Y93Very high89.5Confident93 Ų9361.7 Ų61.737%0.36531%0.312SS..EExtended strand (participates in β ladder)trans-121.3153.8169.370.2-85000110.3Y527 L528 V530Y519-Y527 WeakPolarHBondContact O-CA 3.4Å; Y519-L528 HydrophobicContact CD1-CB 4.27Å; Y519-L528 WeakPolarHBondContact CD1-O 3.38Å; Y519-L528 HydrophobicContact CE1-CB 3.68Å; Y519-L528 HydrophobicContact CE2-CB 4.2Å; Y519-L528 HydrophobicContact CE2-CD1 4.28Å; Y519-L528 PolarHBondContact N-O 3.17Å; Y519-L528 PolarHBondContact O-N 2.96Å; Y519-V530 HydrophobicContact CD1-CG2 4.01Å
520W92.8Very high89.2Confident41 Ų4162.7 Ų62.716%0.15532%0.319CS..EExtended strand (participates in β ladder)trans-82.5126.4178178.1-110.9000111.5P477 F478 P479 F509 S525 Y527P477-W520 WeakPolarHBondContact O-CH2 3.46Å; F478-W520 HydrophobicContact CD2-CZ2 4.39Å; F478-W520 AromaticContact CD2-NE1 3.8Å; P479-W520 VanDerWaalsContact CD-CD2 3.45Å; P479-W520 HydrophobicContact CG-CB 4.13Å; P479-W520 HydrophobicContact CG-CD2 3.64Å; P479-W520 HydrophobicContact CG-CE3 4.17Å; P479-W520 HydrophobicContact CG-CG 3.6Å; F509-W520 HydrophobicContact CE2-CB 4.1Å; W520-S525 VanDerWaalsContact CH2-CA 3.43Å; W520-S525 WeakPolarHBondContact CH2-O 3.42Å; W520-Y527 HydrophobicContact CE3-CD1 4.05Å; W520-Y527 HydrophobicContact CE3-CD2 4.02Å; W520-Y527 AromaticContact CE3-CE1 3.82Å; W520-Y527 HydrophobicContact CE3-CE1 3.82Å; W520-Y527 AromaticContact CE3-CE2 3.79Å; W520-Y527 HydrophobicContact CE3-CE2 3.79Å; W520-Y527 HydrophobicContact CE3-CG 4.15Å; W520-Y527 AromaticContact CE3-CZ 3.69Å; W520-Y527 AromaticContact CZ3-CD2 3.96Å; W520-Y527 HydrophobicContact CZ3-CD2 3.96Å; W520-Y527 AromaticContact CZ3-CE2 3.64Å; W520-Y527 HydrophobicContact CZ3-CE2 3.64Å; W520-Y527 AromaticContact CZ3-CZ 3.96Å
521D89.7Confident88.8Confident24 Ų2465.5 Ų65.513%0.12834%0.343CS..EExtended strand (participates in β ladder)trans-102.399.7170.9-173.8-15.3000110.7T523 K524 S525 T526 L528D521-T523 PolarHBondContact O-N 2.78Å; D521-T523 VanDerWaalsContact O-N 3.1Å; D521-T523 WeakPolarHBondContact OD1-CB 3.28Å; D521-T523 PolarHBondContact OD1-N 2.94Å; D521-T523 PolarHBondContact OD1-OG1 3.02Å; D521-K524 PolarHBondContact O-N 3.36Å; D521-K524 VanDerWaalsContact O-N 3.12Å; D521-K524 IonicContact OD2-NZ 2.76Å; D521-K524 PolarHBondContact OD2-NZ 2.94Å; D521-S525 WeakPolarHBondContact O-CA 3.19Å; D521-S525 PolarHBondContact O-N 3.34Å; D521-T526 PolarHBondContact N-O 3.24Å; D521-L528 HydrophobicContact CB-CD1 3.78Å; D521-L528 HydrophobicContact CB-CG 4.26Å
522Q88.3Confident87.5Confident113 Ų11370.6 Ų70.653%0.52837%0.366SS..THydrogen-bonded Turntrans-58.2-21.8178.2-172.859.333.200114.2
523T87.9Confident85.7Confident124 Ų12468.3 Ų68.376%0.76137%0.372SS*.THydrogen-bonded Turntrans-83-21.1-179.469.10000113.1D521D521-T523 PolarHBondContact O-N 2.78Å; D521-T523 VanDerWaalsContact O-N 3.1Å; D521-T523 WeakPolarHBondContact OD1-CB 3.28Å; D521-T523 PolarHBondContact OD1-N 2.94Å; D521-T523 PolarHBondContact OD1-OG1 3.02Å
524K85.2Confident83.6Confident107 Ų10770.7 Ų70.747%0.46537%0.369SS..THydrogen-bonded Turntrans-110.5-17.9177.7-54.9-170.5-17287.60113D521 T526D521-K524 PolarHBondContact O-N 3.36Å; D521-K524 VanDerWaalsContact O-N 3.12Å; D521-K524 IonicContact OD2-NZ 2.76Å; D521-K524 PolarHBondContact OD2-NZ 2.94Å; K524-T526 VanDerWaalsContact C-N 3.29Å; K524-T526 HydrophobicContact CB-CG2 3.97Å; K524-T526 WeakPolarHBondContact O-CG2 3.34Å
525S90.2Very high81.3Confident39 Ų3974.7 Ų74.727%0.27339%0.394SS..THydrogen-bonded Turntrans55.243.5-166-610000112.4Y476 W520 D521Y476-S525 PolarHBondContact N-O 3.39Å; W520-S525 VanDerWaalsContact CH2-CA 3.43Å; W520-S525 WeakPolarHBondContact CH2-O 3.42Å; D521-S525 WeakPolarHBondContact O-CA 3.19Å; D521-S525 PolarHBondContact O-N 3.34Å
526T91.8Very high78.7Confident5 Ų576.3 Ų76.33%0.03140%0.402CS..EExtended strand (participates in β ladder)trans-132.6163.7179.972.50000112A471 T474 D521 K524A471-T526 WeakPolarHBondContact O-CB 3.36Å; T474-T526 VanDerWaalsContact O-CG2 3.27Å; T474-T526 WeakPolarHBondContact O-CG2 3.4Å; D521-T526 PolarHBondContact N-O 3.24Å; K524-T526 VanDerWaalsContact C-N 3.29Å; K524-T526 HydrophobicContact CB-CG2 3.97Å; K524-T526 WeakPolarHBondContact O-CG2 3.34Å
527Y91.9Very high76Confident1 Ų176.9 Ų76.90%0.00442%0.415CS..EExtended strand (participates in β ladder)trans-99.5126.6175-69.8-85.6000110F466 A471 Y476 T498 L500 F509 Y519 W520F466-Y527 HydrophobicContact CD2-CD2 4.45Å; F466-Y527 HydrophobicContact CE2-CG 4.4Å; A471-Y527 CarbonylContact C-O 3.4Å; Y476-Y527 HydrophobicContact CD1-CD2 4.48Å; Y476-Y527 HydrophobicContact CD1-CE2 4.32Å; Y476-Y527 AromaticContact CD2-CD2 3.73Å; Y476-Y527 HydrophobicContact CD2-CD2 3.73Å; Y476-Y527 HydrophobicContact CD2-CE2 4.19Å; Y476-Y527 HydrophobicContact CE2-CD2 4.14Å; Y476-Y527 AromaticContact CG-CD2 3.93Å; Y476-Y527 HydrophobicContact CG-CD2 3.93Å; Y476-Y527 AromaticContact CG-CE2 3.9Å; Y476-Y527 HydrophobicContact CG-CE2 3.9Å; T498-Y527 HydrophobicContact CG2-CE2 3.77Å; L500-Y527 HydrophobicContact CD1-CD1 3.83Å; L500-Y527 HydrophobicContact CD1-CD2 4.16Å; L500-Y527 HydrophobicContact CD1-CE1 3.76Å; L500-Y527 HydrophobicContact CD1-CE2 4.1Å; L500-Y527 HydrophobicContact CD1-CG 4.03Å; F509-Y527 HydrophobicContact CB-CD1 4.4Å; F509-Y527 HydrophobicContact CB-CE1 4.34Å; F509-Y527 AromaticContact CD1-CE1 3.91Å; F509-Y527 HydrophobicContact CD1-CE1 3.91Å; F509-Y527 HydrophobicContact CD2-CD1 4.02Å; F509-Y527 AromaticContact CD2-CE1 3.69Å; F509-Y527 HydrophobicContact CD2-CE1 3.69Å; F509-Y527 HydrophobicContact CE1-CE1 4.1Å; F509-Y527 AromaticContact CE2-CE1 3.9Å; F509-Y527 HydrophobicContact CE2-CE1 3.9Å; F509-Y527 HydrophobicContact CG-CD1 4.14Å; F509-Y527 AromaticContact CG-CE1 3.7Å; F509-Y527 HydrophobicContact CG-CE1 3.7Å; F509-Y527 HydrophobicContact CZ-CE1 4.1Å; Y519-Y527 WeakPolarHBondContact O-CA 3.4Å; W520-Y527 HydrophobicContact CE3-CD1 4.05Å; W520-Y527 HydrophobicContact CE3-CD2 4.02Å; W520-Y527 AromaticContact CE3-CE1 3.82Å; W520-Y527 HydrophobicContact CE3-CE1 3.82Å; W520-Y527 AromaticContact CE3-CE2 3.79Å; W520-Y527 HydrophobicContact CE3-CE2 3.79Å; W520-Y527 HydrophobicContact CE3-CG 4.15Å; W520-Y527 AromaticContact CE3-CZ 3.69Å; W520-Y527 AromaticContact CZ3-CD2 3.96Å; W520-Y527 HydrophobicContact CZ3-CD2 3.96Å; W520-Y527 AromaticContact CZ3-CE2 3.64Å; W520-Y527 HydrophobicContact CZ3-CE2 3.64Å; W520-Y527 AromaticContact CZ3-CZ 3.96Å
528L90.6Very high73Confident22 Ų2281.8 Ų81.812%0.11545%0.446CS..EExtended strand (participates in β ladder)trans-117.2139.4-177-60.7179.8000110.6Y518 Y519 D521Y518-L528 CarbonylContact C-O 3.49Å; Y518-L528 VanDerWaalsContact CA-O 3.24Å; Y518-L528 WeakPolarHBondContact CA-O 3.39Å; Y519-L528 HydrophobicContact CD1-CB 4.27Å; Y519-L528 WeakPolarHBondContact CD1-O 3.38Å; Y519-L528 HydrophobicContact CE1-CB 3.68Å; Y519-L528 HydrophobicContact CE2-CB 4.2Å; Y519-L528 HydrophobicContact CE2-CD1 4.28Å; Y519-L528 PolarHBondContact N-O 3.17Å; Y519-L528 PolarHBondContact O-N 2.96Å; D521-L528 HydrophobicContact CB-CD1 3.78Å; D521-L528 HydrophobicContact CB-CG 4.26Å
529P91.2Very high70.3Confident66 Ų6686.2 Ų86.243%0.42948%0.478SS..EExtended strand (participates in β ladder)trans-66.7140.7-176.526.3-34.1000111.7Y518 P531Y518-P529 HydrophobicContact CD1-CB 4.11Å; Y518-P529 HydrophobicContact CE1-CB 3.86Å; Y518-P529 HydrophobicContact CE1-CG 4.43Å; P529-P531 WeakPolarHBondContact O-CD 3.4Å
530V88Confident67.5Low28 Ų2887.7 Ų87.717%0.1750%0.497CS..  trans-77.4123.2175177.90000109Y508 Y517 Y519 Q532Y508-V530 HydrophobicContact CD1-CG2 3.63Å; Y508-V530 HydrophobicContact CD2-CG1 4.42Å; Y508-V530 HydrophobicContact CD2-CG2 4.05Å; Y508-V530 HydrophobicContact CE1-CG2 3.76Å; Y508-V530 HydrophobicContact CE2-CG1 3.95Å; Y508-V530 HydrophobicContact CE2-CG2 4.17Å; Y508-V530 HydrophobicContact CG-CG2 3.79Å; Y517-V530 WeakPolarHBondContact O-CB 3.39Å; Y517-V530 WeakPolarHBondContact O-CG2 3.08Å; Y517-V530 PolarHBondContact O-N 2.85Å; Y519-V530 HydrophobicContact CD1-CG2 4.01Å; V530-Q532 PolarHBondContact O-N 3.27Å
531P83.2Confident64.9Low108 Ų10892.3 Ų92.370%0.70153%0.525SS*.  trans-64.4108.1179-22.634.2000112.1P529 T533P529-P531 WeakPolarHBondContact O-CD 3.4Å; P531-T533 PolarHBondContact O-N 3.25Å; P531-T533 VanDerWaalsContact O-N 3.17Å
532Q63.5Low62Low131 Ų13198 Ų9861%0.61256%0.555SS**  trans-75103.1175.8-67.7-171.6-0.900110.6V530 N534V530-Q532 PolarHBondContact O-N 3.27Å; Q532-N534 VanDerWaalsContact C-N 3.28Å; Q532-N534 PolarHBondContact O-N 2.81Å
533T47.2Very low59.4Low126 Ų12696.9 Ų96.977%0.77357%0.565SS**  trans-77.878.1171.155.70000110.1P531 P535P531-T533 PolarHBondContact O-N 3.25Å; P531-T533 VanDerWaalsContact O-N 3.17Å; T533-P535 WeakPolarHBondContact O-CD 3.39Å
534N38.9Very low56.8Low115 Ų11595.5 Ų95.562%0.61557%0.567SS**  trans-77.2114.7-177.6-160.929.2000111.1Q532 Q536Q532-N534 VanDerWaalsContact C-N 3.28Å; Q532-N534 PolarHBondContact O-N 2.81Å; N534-Q536 PolarHBondContact O-N 3.4Å; N534-Q536 VanDerWaalsContact O-N 3.1Å
535P33.9Very low54.4Low123 Ų12395.2 Ų95.280%0.79958%0.578SS**  trans-88.438.4-17137.7-36.3000112.9T533T533-P535 WeakPolarHBondContact O-CD 3.39Å
536Q31.6Very low51.6Low171 Ų171100.5 Ų100.580%0.79960%0.603SS**  trans-155.173.5-170.7-113.6170.511.300113.9N534N534-Q536 PolarHBondContact O-N 3.4Å; N534-Q536 VanDerWaalsContact O-N 3.1Å
537S32.6Very low49Very low99 Ų99105 Ų10569%0.69264%0.635SS**  trans-162.194.1162.558.20000112.3
538N28.6Very low46.4Very low173 Ų173113 Ų11393%0.92567%0.672SS**  trans-97.597170.4-89-9.5000110.5
539S37.1Very low43.6Very low101 Ų101117.4 Ų117.471%0.70670%0.7SS**  trans-165.792.3165.852.50000106.4
540V33.2Very low41Very low125 Ų125121.5 Ų121.576%0.75872%0.718SS**  68.3135.479-175.60000111.7
541D37.7Very low38.5Very low138 Ų138126.7 Ų126.774%0.73875%0.75SS**  trans73.6150178-62.4-44000119.6
542N30.6Very low36.3Very low142 Ų142126.6 Ų126.676%0.75975%0.752SS**  cis-167.6167-46.1-123-49.7000110.4
543A32.4Very low35.1Very low90 Ų90127.4 Ų127.474%0.74476%0.761SS**  trans64.2125.7173.800000116.7
544A33.7Very low34.5Very low96 Ų96124.9 Ų124.979%0.79375%0.752SS**  84.5139.155.600000113.4
545S34.9Very low34.5Very low100 Ų100124.7 Ų124.770%0.69976%0.758SS**  cis-173.7149-4.846.10000113.2
546N31.5Very low34.6Very low151 Ų151128 Ų12881%0.80776%0.759SS**  trans60.9161.1156.9-62.3-9.7000118
547S36.2Very low35Very low98 Ų98127.7 Ų127.769%0.68576%0.763SS**  cis-145.5150.818-51.60000114.7
548Q38.9Very low35.4Very low171 Ų171130.3 Ų130.380%0.79976%0.762SS**  trans12.1155.2131.3-57.4172.6-54.600121.2
549T31.3Very low36Very low114 Ų114127.7 Ų127.770%0.69975%0.748SS**  cis-161.3164.6-23.135.50000107
550D36.6Very low36.6Very low151 Ų151130.6 Ų130.681%0.80776%0.756SS**  -177174.991.3-89.5-8.5000112.7
551T34.8Very low37.3Very low138 Ų138136.1 Ų136.185%0.84776%0.763SS**  trans-88.2168.4-168.358.20000114.5
552S37.5Very low38.2Very low105 Ų105133 Ų13373%0.73476%0.764SS**  cis-154.2-168.21961.80000110.5
553D37.5Very low39.8Very low149 Ų149131.5 Ų131.580%0.79775%0.75SS**  cis-148.8-124.6-0.4-161.3-107.5000113.3
554A34.7Very low41.8Very low72 Ų72132 Ų13260%0.59575%0.745SS**  trans-154.8-175.5-163.400000112.1
555P40Very low43.3Very low112 Ų112131.2 Ų131.273%0.72774%0.737SS**  cis-136.8138.91.238.5-18.9000118.9
556K36.1Very low45.3Very low191 Ų191132 Ų13283%0.8373%0.73SS**  trans27.8136.4135-63.2168.1-178161.80121.8
557N39.1Very low47.4Very low165 Ų165129.9 Ų129.988%0.88272%0.715SS**  -137.8168.2120.9-146.4-17.3000111.6
558K41.2Very low49.1Very low154 Ų154129 Ų12967%0.6770%0.702SS**  trans-125171.1-163-83-171.5130.9-140.90111.9
559D41.2Very low50.8Low119 Ų119123.6 Ų123.664%0.63669%0.687SS**  cis-157.8137.4-6.5-110.9-17.5000106
560D49Very low53.3Low161 Ų161125.3 Ų125.386%0.86168%0.68SS**  trans-161.3105147.8-139.4-20.4000111
561R48.4Very low55.2Low242 Ų242122.1 Ų122.191%0.91366%0.661SS**  trans-142.3118174.8-78.8-170.5173.7175.9-1.4109.8
562G56.8Low57.2Low73 Ų73121.7 Ų121.775%0.75365%0.65SS**PPolyproline II helixtrans-63151-175.100000114.1T564G562-T564 PolarHBondContact O-N 2.85Å
563K65.3Low59.5Low110 Ų110121.4 Ų121.448%0.47864%0.638SS.*PPolyproline II helixtrans-64.1127.5177.9-58.2-177.4-168.9179.40110.6I568 E571K563-I568 HydrophobicContact CB-CD1 4.45Å; K563-I568 HydrophobicContact CB-CG1 3.96Å; K563-E571 WeakPolarHBondContact CD-OE2 3.4Å; K563-E571 IonicContact NZ-OE1 3.2Å; K563-E571 PolarHBondContact NZ-OE1 2.82Å; K563-E571 IonicContact NZ-OE2 2.77Å; K563-E571 PolarHBondContact NZ-OE2 2.92Å
564T73.6Confident61.7Low101 Ų101121.8 Ų121.862%0.6263%0.632SS**PPolyproline II helixtrans-55.3144.5173.3-44.90000111.1G562 Q566 Q567 I568G562-T564 PolarHBondContact O-N 2.85Å; T564-Q566 PolarHBondContact O-N 2.76Å; T564-Q566 VanDerWaalsContact O-N 3.09Å; T564-Q567 WeakPolarHBondContact O-CA 3.31Å; T564-Q567 WeakPolarHBondContact O-CB 3.48Å; T564-Q567 PolarHBondContact O-N 2.88Å; T564-I568 PolarHBondContact O-N 3.02Å
565A65.1Low63.5Low78 Ų78126.8 Ų126.865%0.64564%0.636SS**Hα-helixtrans-52-37.5-17600000114.1Q567 I568 A569A565-Q567 VanDerWaalsContact C-N 3.29Å; A565-Q567 PolarHBondContact O-N 3.11Å; A565-I568 PolarHBondContact O-N 3.39Å; A565-A569 PolarHBondContact O-N 3.01Å
566Q76.1Confident65.2Low118 Ų118123.5 Ų123.555%0.55162%0.618SS**Hα-helixtrans-60.8-33.6173.7-69.4-167.45.800113.7T564 R570T564-Q566 PolarHBondContact O-N 2.76Å; T564-Q566 VanDerWaalsContact O-N 3.09Å; Q566-R570 WeakPolarHBondContact O-CB 3.27Å; Q566-R570 VanDerWaalsContact O-CG 3.26Å; Q566-R570 WeakPolarHBondContact O-CG 3.37Å; Q566-R570 PolarHBondContact O-N 2.76Å
567Q77Confident67.5Low105 Ų105120.8 Ų120.849%0.49161%0.606SS.*Hα-helixtrans-75.8-34.8178.5-171165.7-4.800111.2T564 A565 R570 E571T564-Q567 WeakPolarHBondContact O-CA 3.31Å; T564-Q567 WeakPolarHBondContact O-CB 3.48Å; T564-Q567 PolarHBondContact O-N 2.88Å; A565-Q567 VanDerWaalsContact C-N 3.29Å; A565-Q567 PolarHBondContact O-N 3.11Å; Q567-R570 PolarHBondContact O-N 2.96Å; Q567-E571 WeakPolarHBondContact O-CB 3.42Å; Q567-E571 WeakPolarHBondContact O-CG 3.36Å; Q567-E571 PolarHBondContact O-N 3.12Å
568I71.2Confident69.5Low81 Ų81119.7 Ų119.742%0.41559%0.594SS.*Hα-helixtrans-64.4-44.7170-58.2176.5000110.1K563 T564 A565 R570 E571 M572K563-I568 HydrophobicContact CB-CD1 4.45Å; K563-I568 HydrophobicContact CB-CG1 3.96Å; T564-I568 PolarHBondContact O-N 3.02Å; A565-I568 PolarHBondContact O-N 3.39Å; I568-R570 PolarHBondContact O-N 3.29Å; I568-E571 PolarHBondContact O-N 2.83Å; I568-E571 VanDerWaalsContact O-N 3.16Å; I568-M572 HydrophobicContact CG2-SD 4.42Å; I568-M572 WeakPolarHBondContact O-CG 3.48Å; I568-M572 PolarHBondContact O-N 2.84Å
569A75.2Confident71Confident57 Ų57117.1 Ų117.147%0.47159%0.585SS.*Hα-helixtrans-59.9-45.2175.700000112.2A565 E571 M572 E573A565-A569 PolarHBondContact O-N 3.01Å; A569-E571 VanDerWaalsContact C-N 3.33Å; A569-E571 PolarHBondContact O-N 2.89Å; A569-M572 PolarHBondContact O-N 2.75Å; A569-E573 WeakPolarHBondContact O-CB 2.97Å; A569-E573 PolarHBondContact O-N 2.92Å
570R82.9Confident72.6Confident149 Ų149116.4 Ų116.456%0.56258%0.581SS**Hα-helixtrans-66.4-31174.5-68.9176.8-146.3-179.88.1112.8Q566 Q567 I568 K574Q566-R570 WeakPolarHBondContact O-CB 3.27Å; Q566-R570 VanDerWaalsContact O-CG 3.26Å; Q566-R570 WeakPolarHBondContact O-CG 3.37Å; Q566-R570 PolarHBondContact O-N 2.76Å; Q567-R570 PolarHBondContact O-N 2.96Å; I568-R570 PolarHBondContact O-N 3.29Å; R570-K574 VanDerWaalsContact O-CB 3.29Å; R570-K574 WeakPolarHBondContact O-CB 3.43Å; R570-K574 VanDerWaalsContact O-CG 3.28Å; R570-K574 WeakPolarHBondContact O-CG 3.42Å; R570-K574 PolarHBondContact O-N 3Å
571E76.8Confident73.8Confident85 Ų85111.4 Ų111.440%0.39756%0.562SS.*Hα-helixtrans-69.3-43.1171.2-81.3-175149.600111.7K563 Q567 I568 A569 K574 W575K563-E571 WeakPolarHBondContact CD-OE2 3.4Å; K563-E571 IonicContact NZ-OE1 3.2Å; K563-E571 PolarHBondContact NZ-OE1 2.82Å; K563-E571 IonicContact NZ-OE2 2.77Å; K563-E571 PolarHBondContact NZ-OE2 2.92Å; Q567-E571 WeakPolarHBondContact O-CB 3.42Å; Q567-E571 WeakPolarHBondContact O-CG 3.36Å; Q567-E571 PolarHBondContact O-N 3.12Å; I568-E571 PolarHBondContact O-N 2.83Å; I568-E571 VanDerWaalsContact O-N 3.16Å; A569-E571 VanDerWaalsContact C-N 3.33Å; A569-E571 PolarHBondContact O-N 2.89Å; E571-K574 PolarHBondContact O-N 2.93Å; E571-W575 WeakPolarHBondContact O-CB 3.3Å; E571-W575 PolarHBondContact O-N 3.09Å
572M77.5Confident74.5Confident128 Ų128106 Ų10663%0.63155%0.548SS*.Hα-helixtrans-63.1-41.7174.5-71.2-177.271.400111.9I568 A569 W575 A576I568-M572 HydrophobicContact CG2-SD 4.42Å; I568-M572 WeakPolarHBondContact O-CG 3.48Å; I568-M572 PolarHBondContact O-N 2.84Å; A569-M572 PolarHBondContact O-N 2.75Å; M572-W575 PolarHBondContact O-N 2.87Å; M572-A576 WeakPolarHBondContact O-CB 3.5Å; M572-A576 PolarHBondContact O-N 3.08Å
573E84.2Confident75.1Confident100 Ų100110.6 Ų110.647%0.46755%0.547SS..Hα-helixtrans-66.1-43.7176.5-162.8-152.2150.100111.6A569 W575 A576 K577A569-E573 WeakPolarHBondContact O-CB 2.97Å; A569-E573 PolarHBondContact O-N 2.92Å; E573-W575 VanDerWaalsContact C-N 3.33Å; E573-W575 PolarHBondContact O-N 3.14Å; E573-A576 PolarHBondContact O-N 2.85Å; E573-K577 HydrophobicContact CG-CD 4.49Å; E573-K577 WeakPolarHBondContact O-CB 3.35Å; E573-K577 WeakPolarHBondContact O-CG 3.23Å; E573-K577 PolarHBondContact O-N 2.9Å; E573-K577 VanDerWaalsContact OE1-CE 3.24Å; E573-K577 WeakPolarHBondContact OE1-CE 3.41Å; E573-K577 IonicContact OE1-NZ 2.61Å; E573-K577 PolarHBondContact OE1-NZ 3.01Å
574K83.6Confident74.9Confident157 Ų157114 Ų11468%0.68356%0.562SS**Hα-helixtrans-64.5-36.1173.2-78.4-178.4176.4-173.90112.3R570 E571 K578R570-K574 VanDerWaalsContact O-CB 3.29Å; R570-K574 WeakPolarHBondContact O-CB 3.43Å; R570-K574 VanDerWaalsContact O-CG 3.28Å; R570-K574 WeakPolarHBondContact O-CG 3.42Å; R570-K574 PolarHBondContact O-N 3Å; E571-K574 PolarHBondContact O-N 2.93Å; K574-K578 VanDerWaalsContact O-CB 3.28Å; K574-K578 WeakPolarHBondContact O-CB 3.48Å; K574-K578 PolarHBondContact O-N 2.97Å
575W72.6Confident74Confident177 Ų177113.3 Ų113.367%0.6757%0.566SS**Hα-helixtrans-67.9-44.9175.9-178.278.9000111.5E571 M572 E573 K578 M579E571-W575 WeakPolarHBondContact O-CB 3.3Å; E571-W575 PolarHBondContact O-N 3.09Å; M572-W575 PolarHBondContact O-N 2.87Å; E573-W575 VanDerWaalsContact C-N 3.33Å; E573-W575 PolarHBondContact O-N 3.14Å; W575-K578 PolarHBondContact O-N 3.19Å; W575-M579 HydrophobicContact CD2-CG 4.36Å; W575-M579 HydrophobicContact CZ2-CG 4.24Å; W575-M579 WeakPolarHBondContact O-CG 3.37Å; W575-M579 PolarHBondContact O-N 3.49Å
576A76.7Confident73.1Confident43 Ų43112.9 Ų112.936%0.35556%0.559SS.*Hα-helixtrans-62.5-43.6173.700000112.1M572 E573 K578 M579 N580M572-A576 WeakPolarHBondContact O-CB 3.5Å; M572-A576 PolarHBondContact O-N 3.08Å; E573-A576 PolarHBondContact O-N 2.85Å; A576-K578 PolarHBondContact O-N 3.35Å; A576-M579 PolarHBondContact O-N 3.02Å; A576-N580 WeakPolarHBondContact O-CB 3.47Å; A576-N580 PolarHBondContact O-N 3.12Å; A576-N580 PolarHBondContact O-ND2 2.94Å
577K83.6Confident71.2Confident133 Ų133112.2 Ų112.258%0.57857%0.567SS**Hα-helixtrans-61.9-40.3172.8-78.9174.8169.3172.60111.9E573 N580 A581E573-K577 HydrophobicContact CG-CD 4.49Å; E573-K577 WeakPolarHBondContact O-CB 3.35Å; E573-K577 WeakPolarHBondContact O-CG 3.23Å; E573-K577 PolarHBondContact O-N 2.9Å; E573-K577 VanDerWaalsContact OE1-CE 3.24Å; E573-K577 WeakPolarHBondContact OE1-CE 3.41Å; E573-K577 IonicContact OE1-NZ 2.61Å; E573-K577 PolarHBondContact OE1-NZ 3.01Å; K577-N580 PolarHBondContact O-N 2.97Å; K577-A581 VanDerWaalsContact O-CB 3.31Å; K577-A581 WeakPolarHBondContact O-CB 3.5Å; K577-A581 PolarHBondContact O-N 3.05Å
578K81.6Confident69.5Low143 Ų143112.4 Ų112.462%0.62258%0.58SS**Hα-helixtrans-67.2-44.1176.2-170.6173.1-179.1179.40112.2K574 W575 A576 N580 A581 Q582K574-K578 VanDerWaalsContact O-CB 3.28Å; K574-K578 WeakPolarHBondContact O-CB 3.48Å; K574-K578 PolarHBondContact O-N 2.97Å; W575-K578 PolarHBondContact O-N 3.19Å; A576-K578 PolarHBondContact O-N 3.35Å; K578-N580 PolarHBondContact O-N 3.44Å; K578-A581 PolarHBondContact O-N 3.18Å; K578-Q582 VanDerWaalsContact O-CB 3.24Å; K578-Q582 WeakPolarHBondContact O-CB 3.26Å; K578-Q582 PolarHBondContact O-N 2.93Å
579M73.2Confident67.9Low99 Ų99115.8 Ų115.849%0.48860%0.604SS.*Hα-helixtrans-60.2-44.1174.1-76.8-69.8-73.900111.7W575 A576 Q582 K583W575-M579 HydrophobicContact CD2-CG 4.36Å; W575-M579 HydrophobicContact CZ2-CG 4.24Å; W575-M579 WeakPolarHBondContact O-CG 3.37Å; W575-M579 PolarHBondContact O-N 3.49Å; A576-M579 PolarHBondContact O-N 3.02Å; M579-Q582 PolarHBondContact O-N 3.35Å; M579-K583 VanDerWaalsContact O-CB 3.31Å; M579-K583 WeakPolarHBondContact O-CB 3.48Å; M579-K583 PolarHBondContact O-N 3.1Å
580N74.9Confident66Low104 Ų104116.3 Ų116.356%0.55662%0.615SS**Hα-helixtrans-69.8-32.2177.3-76.5-25000113.2A576 K577 K578 K584A576-N580 WeakPolarHBondContact O-CB 3.47Å; A576-N580 PolarHBondContact O-N 3.12Å; A576-N580 PolarHBondContact O-ND2 2.94Å; K577-N580 PolarHBondContact O-N 2.97Å; K578-N580 PolarHBondContact O-N 3.44Å; N580-K584 WeakPolarHBondContact O-CG 3.49Å; N580-K584 PolarHBondContact O-N 3.21Å
581A72.5Confident63.8Low56 Ų56118.5 Ų118.546%0.46363%0.632SS.*Hα-helixtrans-70.3-44.6172.100000111.6K577 K578 K583 K584 A585K577-A581 VanDerWaalsContact O-CB 3.31Å; K577-A581 WeakPolarHBondContact O-CB 3.5Å; K577-A581 PolarHBondContact O-N 3.05Å; K578-A581 PolarHBondContact O-N 3.18Å; A581-K583 PolarHBondContact O-N 3.33Å; A581-K584 CarbonylContact O-C 3.56Å; A581-K584 WeakPolarHBondContact O-CA 3.5Å; A581-K584 PolarHBondContact O-N 3.42Å; A581-A585 PolarHBondContact O-N 3.26Å
582Q65.1Low61.9Low130 Ų130126.6 Ų126.661%0.60766%0.658SS**Hα-helixtrans-66.5-25.9177.9-167.5167.3-6.500112.3K578 M579 S586K578-Q582 VanDerWaalsContact O-CB 3.24Å; K578-Q582 WeakPolarHBondContact O-CB 3.26Å; K578-Q582 PolarHBondContact O-N 2.93Å; M579-Q582 PolarHBondContact O-N 3.35Å; Q582-S586 PolarHBondContact O-OG 3.38Å
583K68.7Low59.7Low169 Ų169125.1 Ų125.174%0.73566%0.661SS**THydrogen-bonded Turntrans-80.3-12.3169.2-168.9173.5178.5-176.20114.1M579 A581M579-K583 VanDerWaalsContact O-CB 3.31Å; M579-K583 WeakPolarHBondContact O-CB 3.48Å; M579-K583 PolarHBondContact O-N 3.1Å; A581-K583 PolarHBondContact O-N 3.33Å
584K60.1Low57.5Low181 Ų181127 Ų12779%0.78767%0.674SS**THydrogen-bonded Turntrans-102.5-22.7176.1-78.2-173.5175.3-166.80114N580 A581 S586N580-K584 WeakPolarHBondContact O-CG 3.49Å; N580-K584 PolarHBondContact O-N 3.21Å; A581-K584 CarbonylContact O-C 3.56Å; A581-K584 WeakPolarHBondContact O-CA 3.5Å; A581-K584 PolarHBondContact O-N 3.42Å; K584-S586 VanDerWaalsContact C-N 3.33Å
585A54.3Low55.4Low87 Ų87125.5 Ų125.572%0.71968%0.678SS**SBendtrans-81.7-6.1-177.100000114.6A581A581-A585 PolarHBondContact O-N 3.26Å
586S47.8Very low53.8Low69 Ų69124.1 Ų124.148%0.48368%0.682SS.*SBendtrans-104.833.7-170.446.20000113.8Q582 K584Q582-S586 PolarHBondContact O-OG 3.38Å; K584-S586 VanDerWaalsContact C-N 3.33Å
587S36.6Very low51.8Low103 Ų103128 Ų12872%0.7270%0.702SS**  trans-152.457.5-172.8-59.50000115.1
588S39.8Very low49.6Very low109 Ų109126.5 Ų126.576%0.76271%0.708SS**  trans-161.3120.9165.857.70000114.7
589V37.4Very low47.6Very low152 Ų152128.7 Ų128.792%0.92172%0.72SS**  trans16.5139.8138.3-170.20000118.7
590G37Very low45.8Very low69 Ų69128.8 Ų128.871%0.71174%0.737SS**  cis-179.5-155.69.700000114.7
591Q35.5Very low44.1Very low194 Ų194129.3 Ų129.391%0.90775%0.749SS**  trans-85.1147.9-161-54159.9-71.600116.6
592R36.2Very low42.4Very low255 Ų255137.4 Ų137.496%0.96277%0.767SS**  -171.8173.5120.3-103.7172.3-175.5-165.3-0.6112.8
593S33Very low41.1Very low97 Ų97137.4 Ų137.468%0.67878%0.776SS**  trans-104.1161.8-163.357.80000115.2
594D38.3Very low39.5Very low139 Ų139133.7 Ų133.774%0.74378%0.777SS**  trans153.3101.8131.8-74.50.9000109
595V37.9Very low38.4Very low127 Ų127132.3 Ų132.377%0.7778%0.778SS**  90.9118.687.8163.70000113.8
596I39.4Very low37.8Very low148 Ų148134.3 Ų134.376%0.75978%0.782SS**  trans89.6121158.5-80.1165.7000122.1
597T35.9Very low37.4Very low124 Ų124134.6 Ų134.676%0.76180%0.795SS**  trans78.6124.7155.641.10000125.9
598S36.9Very low37.5Very low102 Ų102141 Ų14171%0.71381%0.805SS**  trans65109.7143.5600000123.8
599E38.3Very low37.8Very low189 Ų189139.8 Ų139.888%0.88380%0.802SS**  69.356.5129.3-54-161.9135.300120.7
600A36.5Very low37.8Very low101 Ų101140.1 Ų140.184%0.83580%0.797SS**  36.7112.5127.300000120.3
601S38Very low37.8Very low115 Ų115143.6 Ų143.680%0.80480%0.799SS**  trans-141.1141.2156.4-98.70000112.2
602R37Very low37.9Very low225 Ų225142.3 Ų142.385%0.84979%0.793SS**  trans62.6118.2154.4-67.8178.6163.4176.9-4.9121.2
603T39Very low38Very low131 Ų131134 Ų13480%0.80478%0.779SS**  trans69113.6133.2560000123.7
604A33.7Very low38.3Very low91 Ų91135 Ų13575%0.75279%0.786SS**  87.8122.6120.600000123.8
605D38.9Very low38.1Very low151 Ų151133.4 Ų133.481%0.80779%0.785SS**  trans73.4150.9142-73.3-18000124.8
606T41.2Very low37.9Very low130 Ų130135.2 Ų135.280%0.79879%0.791SS**  trans74.5143.717571.10000117
607G39.1Very low37.8Very low74 Ų74135.2 Ų135.276%0.76379%0.792SS**  cis-156.8-172.6-1.400000111.8
608Y39.3Very low38Very low237 Ų237133.7 Ų133.793%0.92979%0.785SS**  trans-146.2150-170.3-152.6-91.8000114
609A45.5Very low38Very low85 Ų85135.9 Ų135.970%0.70279%0.787SS**  trans68.6161.5178.500000115.6
610I37.5Very low37.8Very low159 Ų159132.2 Ų132.282%0.81578%0.778SS**  cis-134.8168.819.6-63.8172.5000111.5
611L36.7Very low37.9Very low142 Ų142131.9 Ų131.974%0.74377%0.77SS**  trans-58.5-179.7168.1-55.5153.4000112.5
612E38.2Very low37.7Very low166 Ų166133.8 Ų133.878%0.77677%0.771SS**  cis-163.4171.218-152155.9-114.800112.7
613A38Very low37.7Very low82 Ų82126.8 Ų126.868%0.67876%0.757SS**  trans50.8112.9154.700000122.1
614S38.6Very low37.7Very low118 Ų118128.4 Ų128.483%0.82576%0.755SS**  165.2143.5108.7-72.70000114.7
615S35.3Very low37.8Very low104 Ų104129.8 Ų129.873%0.72775%0.754SS**  trans-29.9143.2171.3-39.50000117.1
616N33.9Very low37.8Very low165 Ų165128.5 Ų128.588%0.88275%0.754SS**  -159169.260.5-97.3-42.7000115.7
617N36.4Very low37.6Very low148 Ų148131.4 Ų131.479%0.79176%0.758SS**  trans-100.5-167.6-177.4-143.36.7000110.2
618P40.6Very low37.6Very low92 Ų92132.6 Ų132.660%0.59776%0.755SS**  cis-131.5-153.8-26.622.93.5000113
619L35.4Very low37.6Very low148 Ų148126 Ų12678%0.77575%0.75SS**  trans86.8137.1168.2-7873.8000116.3
620T35.5Very low37.2Very low113 Ų113126.6 Ų126.669%0.69375%0.749SS**  cis-154.11526-9.90000112
621S38.3Very low37.3Very low94 Ų94126.2 Ų126.266%0.65775%0.748SS**  trans40142.3145.564.40000121.7
622D34.6Very low37.6Very low154 Ų154125.2 Ų125.282%0.82475%0.747SS**  cis-174.2175.4-8.1-116.4-73.1000106.4
623S36.1Very low37.7Very low79 Ų79121.2 Ų121.255%0.55274%0.742SS**  cis-154.4-152.9-0.145.30000105.4
624H39Very low37.8Very low165 Ų165123.9 Ų123.976%0.76474%0.741SS**  cis-159160.5-3.4-93.3-48.1000103.6
625T36.6Very low38Very low119 Ų119128.2 Ų128.273%0.7374%0.74SS**  cis-161.5145.7-18.524.50000107.1
626P37.3Very low38.2Very low124 Ų124126.6 Ų126.681%0.80574%0.74SS**  trans-112.3155.9-169.940-33.1000116.4
627E37.5Very low38.5Very low191 Ų191122 Ų12289%0.89373%0.731SS**  trans-153.8155.8166.5-77.1-163153.300109.2
628S39.3Very low38.8Very low99 Ų99121 Ų12169%0.69273%0.73SS**  cis-163.7153.3-14.951.10000111.5
629A40Very low39Very low99 Ų99124.4 Ų124.482%0.81874%0.738SS**  trans58.7164.1158.500000119.6
630S37.4Very low39.3Very low98 Ų98124 Ų12469%0.68574%0.737SS**  cis-152.9153.11.1-150.10000113.4
631L38.9Very low40Very low151 Ų151123.2 Ų123.279%0.79174%0.736SS**  trans14.9157.1148.7-58.6171.6000122.3
632V43.6Very low40.3Very low121 Ų121126 Ų12673%0.73374%0.744SS**  cis155.2121.6-25.6147.50000108.7
633A38.9Very low40.9Very low81 Ų81125.7 Ų125.767%0.66974%0.742SS**  trans56.8155.2147.300000125.8
634E40Very low41.2Very low139 Ų139127.1 Ų127.165%0.6575%0.752SS**  106.7140.2124.9-112.7171.9135.700122.8
635Y44.4Very low41.2Very low209 Ų209122.4 Ų122.482%0.8275%0.747SS**  trans61.8148.2174.6-54.2-79.9000118.9
636G39.4Very low41.3Very low69 Ų69125.7 Ų125.771%0.71176%0.755SS**  cis169.8169-8.700000113.4
637G39.2Very low41.2Very low68 Ų68126.1 Ų126.170%0.70175%0.75SS**  trans72.9126.4163.400000118.6
638V43.2Very low41Very low127 Ų127124.2 Ų124.277%0.7774%0.741SS**  cis92.1153.238.3-57.10000115.5
639E43.9Very low40.8Very low165 Ų165124.5 Ų124.577%0.77174%0.739SS**  trans72.7143.6171.7-62.8151.5-137.200116.5
640D43.2Very low40.6Very low140 Ų140128.4 Ų128.475%0.74974%0.74SS**  cis-164.7168.7-12.3-114.2-5.7000112.3
641S50.2Low40.3Very low96 Ų96129 Ų12967%0.67174%0.744SS**  trans62.4155.2153.7-71.70000121.1
642D43.4Very low40.1Very low153 Ų153130.7 Ų130.782%0.81875%0.748SS**  cis-165.6176.5-21.8-110.7-44.8000111.4
643D47.7Very low39.8Very low147 Ų147134.1 Ų134.179%0.78675%0.753SS**  trans101.6135.9152.4-150.224.7000121.9
644S41.9Very low39.7Very low109 Ų109139.4 Ų139.476%0.76276%0.764SS**  trans-55.3166-179.1-330000116.1
645G39.4Very low39.6Very low65 Ų65138.7 Ų138.767%0.6776%0.764SS**  cis148.3159.5-3.100000112.1
646Q38.2Very low39.5Very low189 Ų189132.2 Ų132.288%0.88375%0.749SS**  trans65.7145.9168.9-71.4171.3-6.100116.7
647D34.5Very low39.6Very low133 Ų133136 Ų13671%0.71175%0.752SS**  cis-156.1-175.5-6.5-138.9-35.6000111.7
648E35.2Very low40.2Very low151 Ų151138.7 Ų138.771%0.70675%0.75SS**  trans74.9109.3149.1-80.1-74.481.500121.6
649T34.1Very low40.6Very low104 Ų104135.5 Ų135.564%0.63873%0.734SS**  trans109.2136.4136.973.90000122.8
650H35Very low41.1Very low182 Ų182134.9 Ų134.984%0.84373%0.729SS**  trans72.1148.5159.7-70.5-64.8000122.1
651S32.2Very low42.3Very low109 Ų109132.3 Ų132.376%0.76272%0.715SS**  trans-85.1-166.4-164-52.50000114.1
652E33.7Very low43.6Very low187 Ų187130.3 Ų130.387%0.87470%0.704SS**  trans88.666.7169.8-54.2-179.1176.100116.6
653K37.2Very low45.2Very low194 Ų194128 Ų12884%0.84369%0.688SS**  trans-134.876.8166.5-73.2-176179168.70112.8
654Q38.4Very low46.8Very low192 Ų192121.4 Ų121.490%0.89765%0.654SS**SBendtrans-141.7-16.5163.2-143169.815.100114.3
655D37.8Very low48.8Very low124 Ų124120.3 Ų120.366%0.66364%0.637SS**SBendtrans-80.3-16.6177-125.4-21.4000113.9L657 L658 S659D655-L657 PolarHBondContact O-N 3.46Å; D655-L658 PolarHBondContact O-N 3.08Å; D655-S659 PolarHBondContact O-N 2.91Å
656S41Very low50.9Low72 Ų72121 Ų12150%0.50363%0.629SS.*THydrogen-bonded Turntrans-67.3-5.1-166.9-45.90000116.2S659S656-S659 WeakPolarHBondContact CA-OG 3.11Å; S656-S659 PolarHBondContact O-OG 2.82Å
657L42.7Very low53.2Low148 Ų148116.2 Ų116.278%0.77561%0.605SS**THydrogen-bonded Turntrans-88.1-32.8171.4-97.6166.7000112.5D655D655-L657 PolarHBondContact O-N 3.46Å
658L50.5Low55.7Low126 Ų126110.1 Ų110.166%0.6657%0.572SS**Hα-helixtrans-78.5-31.3178-62.3177.7000111.6D655 F660 A662D655-L658 PolarHBondContact O-N 3.08Å; L658-F660 VanDerWaalsContact C-N 3.28Å; L658-F660 PolarHBondContact O-N 2.99Å; L658-A662 WeakPolarHBondContact O-CB 3.36Å; L658-A662 PolarHBondContact O-N 3.17Å
659S52Low58.1Low60 Ų60105.6 Ų105.642%0.4256%0.558SS.*Hα-helixtrans-64.3-31.8174.962.10000113.1D655 S656 A662 E663D655-S659 PolarHBondContact O-N 2.91Å; S656-S659 WeakPolarHBondContact CA-OG 3.11Å; S656-S659 PolarHBondContact O-OG 2.82Å; S659-A662 PolarHBondContact O-N 2.83Å; S659-E663 PolarHBondContact O-N 3.27Å
660F53.9Low60.6Low152 Ų152105.2 Ų105.267%0.66755%0.548SS*.Hα-helixtrans-71.2-43.3-175.7-144.3-85.8000112L658 A664L658-F660 VanDerWaalsContact C-N 3.28Å; L658-F660 PolarHBondContact O-N 2.99Å; F660-A664 WeakPolarHBondContact O-CB 3.19Å; F660-A664 PolarHBondContact O-N 3.43Å
661D69.7Low63.1Low85 Ų8599 Ų9946%0.45552%0.52SS..Hα-helixtrans-65.5-42.1172.1-82.4-27.1000111.4E663 A664 E665 L719D661-E663 PolarHBondContact O-N 3.34Å; D661-A664 CarbonylContact O-C 3.58Å; D661-A664 WeakPolarHBondContact O-CB 3.25Å; D661-A664 PolarHBondContact O-N 2.83Å; D661-A664 VanDerWaalsContact O-N 3.11Å; D661-E665 WeakPolarHBondContact O-CG 3.31Å; D661-E665 PolarHBondContact O-N 2.81Å; D661-L719 HydrophobicContact CB-CD2 4.35Å
662A75.9Confident65.9Low55 Ų5594.9 Ų94.946%0.45549%0.488SS..Hα-helixtrans-62.3-41.3178.200000113L658 S659 T666L658-A662 WeakPolarHBondContact O-CB 3.36Å; L658-A662 PolarHBondContact O-N 3.17Å; S659-A662 PolarHBondContact O-N 2.83Å; A662-T666 WeakPolarHBondContact O-CB 3.38Å; A662-T666 PolarHBondContact O-N 2.84Å; A662-T666 VanDerWaalsContact O-N 3.09Å; A662-T666 PolarHBondContact O-OG1 3.05Å
663E78.9Confident68.5Low104 Ų10489.5 Ų89.549%0.48647%0.466SS..Hα-helixtrans-63.2-42.4170.2-82.7-161.3-173.300112.1S659 D661 T666 K667S659-E663 PolarHBondContact O-N 3.27Å; D661-E663 PolarHBondContact O-N 3.34Å; E663-T666 PolarHBondContact O-N 2.88Å; E663-K667 WeakPolarHBondContact O-CB 3.27Å; E663-K667 WeakPolarHBondContact O-CD 3.33Å; E663-K667 WeakPolarHBondContact O-CG 3.31Å; E663-K667 PolarHBondContact O-N 2.76Å; E663-K667 IonicContact OE2-NZ 2.62Å; E663-K667 PolarHBondContact OE2-NZ 2.91Å
664A80.6Confident71Confident8 Ų886.1 Ų86.17%0.06645%0.451CS..Hα-helixtrans-64.3-40.9178.500000111.9F660 D661 T666 K667 V668 L719F660-A664 WeakPolarHBondContact O-CB 3.19Å; F660-A664 PolarHBondContact O-N 3.43Å; D661-A664 CarbonylContact O-C 3.58Å; D661-A664 WeakPolarHBondContact O-CB 3.25Å; D661-A664 PolarHBondContact O-N 2.83Å; D661-A664 VanDerWaalsContact O-N 3.11Å; A664-T666 VanDerWaalsContact C-N 3.31Å; A664-T666 PolarHBondContact O-N 3.23Å; A664-K667 PolarHBondContact O-N 3.47Å; A664-V668 WeakPolarHBondContact O-CG2 3.48Å; A664-V668 PolarHBondContact O-N 3.36Å; A664-L719 HydrophobicContact CB-CD1 3.76Å; A664-L719 HydrophobicContact CB-CD2 4.11Å; A664-L719 HydrophobicContact CB-CG 3.89Å
665E83.3Confident73.6Confident86 Ų8679.2 Ų79.240%0.40242%0.42SS..Hα-helixtrans-66.6-36.6177.6-67.2-135121.500111.2D661 S669 R714 L719D661-E665 WeakPolarHBondContact O-CG 3.31Å; D661-E665 PolarHBondContact O-N 2.81Å; E665-S669 VanDerWaalsContact O-CB 3.32Å; E665-S669 WeakPolarHBondContact O-CB 3.24Å; E665-S669 PolarHBondContact O-N 2.87Å; E665-S669 PolarHBondContact O-OG 2.92Å; E665-R714 IonicContact OE1-CZ 3.94Å; E665-R714 IonicContact OE1-NH1 3.36Å; E665-R714 PolarHBondContact OE1-NH1 2.7Å; E665-R714 IonicContact OE1-NH2 3.83Å; E665-R714 PolarHBondContact OE1-NH2 3Å; E665-L719 HydrophobicContact CB-CD1 4.48Å; E665-L719 HydrophobicContact CG-CD1 3.92Å; E665-L719 HydrophobicContact CG-CD2 3.82Å
666T84Confident76.1Confident81 Ų8173.6 Ų73.650%0.49739%0.39SS..Hα-helixtrans-64.7-48.3173.6-56.10000110.6A662 E663 A664 V668 S669 E670A662-T666 WeakPolarHBondContact O-CB 3.38Å; A662-T666 PolarHBondContact O-N 2.84Å; A662-T666 VanDerWaalsContact O-N 3.09Å; A662-T666 PolarHBondContact O-OG1 3.05Å; E663-T666 PolarHBondContact O-N 2.88Å; A664-T666 VanDerWaalsContact C-N 3.31Å; A664-T666 PolarHBondContact O-N 3.23Å; T666-V668 PolarHBondContact O-N 3.37Å; T666-S669 PolarHBondContact O-N 3.07Å; T666-S669 VanDerWaalsContact O-N 3.13Å; T666-E670 PolarHBondContact O-N 3.23Å
667K85.6Confident78.5Confident88 Ų8871.9 Ų71.938%0.38338%0.375SS..Hα-helixtrans-60.4-41.5176.7-70160-167.2168.30112.1E663 A664 E671 Y717E663-K667 WeakPolarHBondContact O-CB 3.27Å; E663-K667 WeakPolarHBondContact O-CD 3.33Å; E663-K667 WeakPolarHBondContact O-CG 3.31Å; E663-K667 PolarHBondContact O-N 2.76Å; E663-K667 IonicContact OE2-NZ 2.62Å; E663-K667 PolarHBondContact OE2-NZ 2.91Å; A664-K667 PolarHBondContact O-N 3.47Å; K667-E671 WeakPolarHBondContact O-CG 3.26Å; K667-E671 PolarHBondContact O-N 3.15Å; K667-Y717 HydrophobicContact CB-CE1 4.3Å
668V88.1Confident80.7Confident4 Ų470.1 Ų70.12%0.02436%0.358CS..Hα-helixtrans-64.6-41.8173.2166.20000112A664 T666 E670 E671 E672 R714 Y717 L719A664-V668 WeakPolarHBondContact O-CG2 3.48Å; A664-V668 PolarHBondContact O-N 3.36Å; T666-V668 PolarHBondContact O-N 3.37Å; V668-E670 VanDerWaalsContact C-N 3.33Å; V668-E671 PolarHBondContact O-N 2.95Å; V668-E672 PolarHBondContact O-N 2.74Å; V668-R714 HydrophobicContact CG1-CG 3.74Å; V668-R714 HydrophobicContact CG2-CG 4.23Å; V668-Y717 HydrophobicContact CG2-CD2 3.46Å; V668-Y717 VanDerWaalsContact CG2-CD2 3.46Å; V668-Y717 HydrophobicContact CG2-CE2 4.17Å; V668-Y717 HydrophobicContact CG2-CG 3.88Å; V668-L719 HydrophobicContact CB-CD1 4.43Å; V668-L719 HydrophobicContact CG2-CD1 3.82Å
669S86Confident82.5Confident57 Ų5768.9 Ų68.940%0.39937%0.366SS..Hα-helixtrans-66.7-37180-59.90000111.8E665 T666 N673E665-S669 VanDerWaalsContact O-CB 3.32Å; E665-S669 WeakPolarHBondContact O-CB 3.24Å; E665-S669 PolarHBondContact O-N 2.87Å; E665-S669 PolarHBondContact O-OG 2.92Å; T666-S669 PolarHBondContact O-N 3.07Å; T666-S669 VanDerWaalsContact O-N 3.13Å; S669-N673 WeakPolarHBondContact O-CB 3.37Å; S669-N673 VanDerWaalsContact O-CG 3.22Å; S669-N673 PolarHBondContact O-N 3.1Å; S669-N673 PolarHBondContact O-ND2 3.11Å; S669-N673 VanDerWaalsContact O-ND2 3.1Å
670E86.4Confident84.3Confident95 Ų9573.2 Ų73.244%0.44438%0.377SS..Hα-helixtrans-62.9-48.5169.4-78.4-174.2-159.300112.5T666 V668 E672 N673 K674T666-E670 PolarHBondContact O-N 3.23Å; V668-E670 VanDerWaalsContact C-N 3.33Å; E670-E672 PolarHBondContact O-N 3.09Å; E670-N673 PolarHBondContact O-N 3.21Å; E670-K674 VanDerWaalsContact O-CG 3.26Å; E670-K674 WeakPolarHBondContact O-CG 3.45Å; E670-K674 PolarHBondContact O-N 3.04Å; E670-K674 IonicContact OE2-NZ 3.07Å; E670-K674 PolarHBondContact OE2-NZ 2.77Å
671E88Confident86.1Confident53 Ų5368.1 Ų68.125%0.24836%0.357CS..Hα-helixtrans-61.4-42177.1-72.9-59.3113.500111.7K667 V668 N673 K674 L675 L713 Y717K667-E671 WeakPolarHBondContact O-CG 3.26Å; K667-E671 PolarHBondContact O-N 3.15Å; V668-E671 PolarHBondContact O-N 2.95Å; E671-N673 VanDerWaalsContact C-N 3.33Å; E671-N673 PolarHBondContact O-N 2.97Å; E671-K674 PolarHBondContact O-N 2.82Å; E671-K674 WeakPolarHBondContact OE1-CD 3.48Å; E671-K674 WeakPolarHBondContact OE1-CE 3.41Å; E671-K674 IonicContact OE1-NZ 2.72Å; E671-K674 PolarHBondContact OE1-NZ 3.39Å; E671-L675 WeakPolarHBondContact O-CD1 3.38Å; E671-L675 PolarHBondContact O-N 2.94Å; E671-L713 HydrophobicContact CB-CD2 3.9Å; E671-Y717 HydrophobicContact CG-CE2 4.43Å
672E90.8Very high87.2Confident21 Ų2164.7 Ų64.710%0.09834%0.34CS..Hα-helixtrans-57.9-46.6173.4-168.1-160.8-178.700111V668 E670 K674 L675 L676 R700 H706 L710V668-E672 PolarHBondContact O-N 2.74Å; E670-E672 PolarHBondContact O-N 3.09Å; E672-K674 PolarHBondContact O-N 2.98Å; E672-L675 CarbonylContact O-C 3.58Å; E672-L675 PolarHBondContact O-N 2.76Å; E672-L676 HydrophobicContact CG-CD1 4Å; E672-L676 VanDerWaalsContact O-CG 3.3Å; E672-L676 WeakPolarHBondContact O-CG 3.49Å; E672-L676 PolarHBondContact O-N 2.84Å; E672-R700 VanDerWaalsContact CD-NE 3.29Å; E672-R700 VanDerWaalsContact CD-NH2 3.31Å; E672-R700 WeakPolarHBondContact OE1-CG 3.24Å; E672-R700 IonicContact OE1-CZ 2.68Å; E672-R700 IonicContact OE1-NE 2.78Å; E672-R700 PolarHBondContact OE1-NE 3.43Å; E672-R700 IonicContact OE1-NH2 3.18Å; E672-R700 IonicContact OE2-CZ 3.24Å; E672-R700 IonicContact OE2-NE 2.76Å; E672-R700 PolarHBondContact OE2-NE 2.99Å; E672-R700 IonicContact OE2-NH2 2.67Å; E672-R700 PolarHBondContact OE2-NH2 3.44Å; E672-H706 IonicContact OE1-CD2 3.75Å; E672-H706 IonicContact OE1-CE1 3.99Å; E672-H706 IonicContact OE1-NE2 3.02Å; E672-H706 PolarHBondContact OE1-NE2 2.93Å; E672-L710 HydrophobicContact CB-CD1 3.97Å; E672-L710 VanDerWaalsContact CD-CD1 3.45Å; E672-L710 HydrophobicContact CG-CD1 3.54Å
673N88.5Confident88.1Confident75 Ų7562 Ų6240%0.40132%0.319SS..Hα-helixtrans-65.5-36.5177.9-70.9-31.6000112.3S669 E670 E671 L675 L676 R700S669-N673 WeakPolarHBondContact O-CB 3.37Å; S669-N673 VanDerWaalsContact O-CG 3.22Å; S669-N673 PolarHBondContact O-N 3.1Å; S669-N673 PolarHBondContact O-ND2 3.11Å; S669-N673 VanDerWaalsContact O-ND2 3.1Å; E670-N673 PolarHBondContact O-N 3.21Å; E671-N673 VanDerWaalsContact C-N 3.33Å; E671-N673 PolarHBondContact O-N 2.97Å; N673-L675 VanDerWaalsContact C-N 3.31Å; N673-L675 PolarHBondContact O-N 2.77Å; N673-L676 PolarHBondContact O-N 2.87Å; N673-R700 PolarHBondContact OD1-NH1 3.49Å; N673-R700 PolarHBondContact OD1-NH2 3.26Å
674K89.6Confident88.7Confident123 Ų12362.1 Ų62.154%0.53532%0.32SS..Hα-helixtrans-65.4-32.9173.1-68.9163.3-154.91630112.1E670 E671 E672 L676E670-K674 VanDerWaalsContact O-CG 3.26Å; E670-K674 WeakPolarHBondContact O-CG 3.45Å; E670-K674 PolarHBondContact O-N 3.04Å; E670-K674 IonicContact OE2-NZ 3.07Å; E670-K674 PolarHBondContact OE2-NZ 2.77Å; E671-K674 PolarHBondContact O-N 2.82Å; E671-K674 WeakPolarHBondContact OE1-CD 3.48Å; E671-K674 WeakPolarHBondContact OE1-CE 3.41Å; E671-K674 IonicContact OE1-NZ 2.72Å; E671-K674 PolarHBondContact OE1-NZ 3.39Å; E672-K674 PolarHBondContact O-N 2.98Å; K674-L676 VanDerWaalsContact C-N 3.34Å
675L91.5Very high89.2Confident47 Ų4762.9 Ų62.925%0.24632%0.323CS..THydrogen-bonded Turntrans-85.8-0.4175.2-81.981.5000113.5E671 E672 N673 M684 L685E671-L675 WeakPolarHBondContact O-CD1 3.38Å; E671-L675 PolarHBondContact O-N 2.94Å; E672-L675 CarbonylContact O-C 3.58Å; E672-L675 PolarHBondContact O-N 2.76Å; N673-L675 VanDerWaalsContact C-N 3.31Å; N673-L675 PolarHBondContact O-N 2.77Å; L675-M684 HydrophobicContact CB-CB 4.27Å; L675-M684 HydrophobicContact CG-CB 4.37Å; L675-M684 WeakPolarHBondContact O-CB 3.18Å; L675-M684 PolarHBondContact O-N 3.41Å; L675-L685 HydrophobicContact CB-CB 4.12Å; L675-L685 HydrophobicContact CD2-CB 3.93Å; L675-L685 HydrophobicContact CD2-CD1 3.97Å
676L91.4Very high89.7Confident5 Ų559.3 Ų59.33%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-104.490.5172.8-74.6167.4000110.3E672 N673 K674 W678 C683 L696 R700E672-L676 HydrophobicContact CG-CD1 4Å; E672-L676 VanDerWaalsContact O-CG 3.3Å; E672-L676 WeakPolarHBondContact O-CG 3.49Å; E672-L676 PolarHBondContact O-N 2.84Å; N673-L676 PolarHBondContact O-N 2.87Å; K674-L676 VanDerWaalsContact C-N 3.34Å; L676-W678 PolarHBondContact O-N 3.2Å; L676-C683 HydrophobicContact CD2-CB 3.94Å; L676-L696 HydrophobicContact CD2-CD1 3.89Å; L676-L696 HydrophobicContact CD2-CG 4.42Å; L676-R700 HydrophobicContact CD1-CG 4.14Å
677D91.3Very high90Very high36 Ų3660.5 Ų60.519%0.19332%0.319CS..EExtended strand (participates in β ladder)trans-78.785.5179.9-168-31.1000110.8A679 K680 L681 A682D677-A679 PolarHBondContact O-N 3.41Å; D677-A679 PolarHBondContact OD1-N 3.3Å; D677-K680 HydrophobicContact CB-CB 4.31Å; D677-K680 CarbonylContact O-C 3.45Å; D677-K680 PolarHBondContact O-N 3.31Å; D677-K680 PolarHBondContact OD1-N 3.42Å; D677-K680 IonicContact OD1-NZ 3.65Å; D677-K680 VanDerWaalsContact OD2-CD 3.22Å; D677-K680 WeakPolarHBondContact OD2-CD 3.47Å; D677-K680 WeakPolarHBondContact OD2-CE 3.47Å; D677-K680 WeakPolarHBondContact OD2-CG 3.39Å; D677-K680 IonicContact OD2-NZ 2.68Å; D677-K680 PolarHBondContact OD2-NZ 3.41Å; D677-L681 CarbonylContact O-C 3.57Å; D677-L681 WeakPolarHBondContact O-CA 3.4Å; D677-L681 PolarHBondContact O-N 2.84Å; D677-A682 HydrophobicContact CB-CB 4.49Å; D677-A682 PolarHBondContact N-O 3.28Å; D677-A682 PolarHBondContact O-N 2.96Å
678W89.1Confident90.3Very high112 Ų11262.3 Ų62.342%0.42432%0.324SS..THydrogen-bonded Turntrans-59.5-26.1177.2-65.795000113.5L676 A693 L696 Q697L676-W678 PolarHBondContact O-N 3.2Å; W678-A693 HydrophobicContact CE3-CB 4.36Å; W678-A693 HydrophobicContact CZ3-CB 4.21Å; W678-L696 HydrophobicContact CD2-CD2 4.02Å; W678-L696 HydrophobicContact CE3-CD2 3.74Å; W678-L696 HydrophobicContact CH2-CD2 4.47Å; W678-L696 HydrophobicContact CZ3-CD2 3.99Å; W678-L696 HydrophobicContact CZ3-CG 4.38Å; W678-Q697 HydrophobicContact CH2-CB 4.28Å
679A87.1Confident90.5Very high99 Ų9965.1 Ų65.182%0.81835%0.353SS*.THydrogen-bonded Turntrans-79.1-32.4179.500000112.8D677D677-A679 PolarHBondContact O-N 3.41Å; D677-A679 PolarHBondContact OD1-N 3.3Å
680K89.8Confident90.9Very high151 Ų15164.8 Ų64.866%0.65735%0.345SS*.THydrogen-bonded Turntrans-93-0.3170.7-61.2-177-165.264.50113.3D677 A682D677-K680 HydrophobicContact CB-CB 4.31Å; D677-K680 CarbonylContact O-C 3.45Å; D677-K680 PolarHBondContact O-N 3.31Å; D677-K680 PolarHBondContact OD1-N 3.42Å; D677-K680 IonicContact OD1-NZ 3.65Å; D677-K680 VanDerWaalsContact OD2-CD 3.22Å; D677-K680 WeakPolarHBondContact OD2-CD 3.47Å; D677-K680 WeakPolarHBondContact OD2-CE 3.47Å; D677-K680 WeakPolarHBondContact OD2-CG 3.39Å; D677-K680 IonicContact OD2-NZ 2.68Å; D677-K680 PolarHBondContact OD2-NZ 3.41Å; K680-A682 HydrophobicContact CB-CB 4.15Å; K680-A682 PolarHBondContact O-N 3.48Å
681L92.3Very high91.1Very high45 Ų4568.1 Ų68.124%0.23636%0.358CS..THydrogen-bonded Turntrans50.642.9-170.6-61.7172.2000112.2D677 F690 A693D677-L681 CarbonylContact O-C 3.57Å; D677-L681 WeakPolarHBondContact O-CA 3.4Å; D677-L681 PolarHBondContact O-N 2.84Å; L681-F690 WeakPolarHBondContact O-CB 3.46Å; L681-F690 PolarHBondContact O-N 2.68Å; L681-A693 HydrophobicContact CD2-CB 4.1Å
682A93.3Very high91.3Very high13 Ų1368.1 Ų68.111%0.10736%0.359CS..EExtended strand (participates in β ladder)trans-127.7132.8-170.300000113.2D677 K680 R688D677-A682 HydrophobicContact CB-CB 4.49Å; D677-A682 PolarHBondContact N-O 3.28Å; D677-A682 PolarHBondContact O-N 2.96Å; K680-A682 HydrophobicContact CB-CB 4.15Å; K680-A682 PolarHBondContact O-N 3.48Å; A682-R688 CarbonylContact C-O 3.54Å; A682-R688 VanDerWaalsContact CA-O 3.31Å; A682-R688 WeakPolarHBondContact CA-O 3.45Å
683C95.2Very high91.3Very high0 Ų069.4 Ų69.40%037%0.374CS..EExtended strand (participates in β ladder)trans-89.6106166.5179.90000108.7L676 L685 C686 S687 R688 F690 L696 H699 H706L676-C683 HydrophobicContact CD2-CB 3.94Å; C683-L685 VanDerWaalsContact C-N 3.33Å; C683-C686 HydrophobicContact CB-CB 4.4Å; C683-C686 CarbonylContact O-C 3.55Å; C683-C686 PolarHBondContact O-N 3.49Å; C683-C686 PolarHBondContact SG-N 2.69Å; C683-C686 VanDerWaalsContact SG-N 3.42Å; C683-S687 WeakPolarHBondContact O-CA 3.41Å; C683-S687 PolarHBondContact O-N 2.81Å; C683-R688 PolarHBondContact N-O 2.63Å; C683-R688 PolarHBondContact O-N 2.93Å; C683-F690 HydrophobicContact CB-CE2 4.05Å; C683-L696 HydrophobicContact CB-CD1 3.96Å; C683-H699 VanDerWaalsContact CB-NE2 3.34Å; C683-H699 WeakPolarHBondContact CB-NE2 3.42Å; C683-H706 PolarHBondContact SG-ND1 3.45Å
684M91Very high91.5Very high105 Ų10568.7 Ų68.752%0.51738%0.378SS..THydrogen-bonded Turntrans-69.3-33.4176.1-63.3-59.8-63.200111.3L675 C686 S687L675-M684 HydrophobicContact CB-CB 4.27Å; L675-M684 HydrophobicContact CG-CB 4.37Å; L675-M684 WeakPolarHBondContact O-CB 3.18Å; L675-M684 PolarHBondContact O-N 3.41Å; M684-C686 PolarHBondContact O-N 2.98Å; M684-S687 PolarHBondContact O-N 3.34Å; M684-S687 PolarHBondContact O-OG 3.26Å
685L91.4Very high91.6Very high24 Ų2464.7 Ų64.713%0.12636%0.364CS..THydrogen-bonded Turntrans-57.5-30.1174-175.367.5000112.5L675 C683 N709 L710L675-L685 HydrophobicContact CB-CB 4.12Å; L675-L685 HydrophobicContact CD2-CB 3.93Å; L675-L685 HydrophobicContact CD2-CD1 3.97Å; C683-L685 VanDerWaalsContact C-N 3.33Å; L685-N709 HydrophobicContact CD1-CB 3.92Å; L685-N709 HydrophobicContact CD2-CB 4.46Å; L685-N709 HydrophobicContact CG-CB 3.82Å; L685-N709 PolarHBondContact O-ND2 3.39Å; L685-L710 HydrophobicContact CD2-CB 4.14Å; L685-L710 HydrophobicContact CD2-CD1 4.25Å
686C92.7Very high91.7Very high12 Ų1262.4 Ų62.48%0.08135%0.352CS..THydrogen-bonded Turntrans-106.3-2.2172.1-68.60000114.5C683 M684 R688 H699 L705 H706C683-C686 HydrophobicContact CB-CB 4.4Å; C683-C686 CarbonylContact O-C 3.55Å; C683-C686 PolarHBondContact O-N 3.49Å; C683-C686 PolarHBondContact SG-N 2.69Å; C683-C686 VanDerWaalsContact SG-N 3.42Å; M684-C686 PolarHBondContact O-N 2.98Å; C686-R688 VanDerWaalsContact C-N 3.28Å; C686-R688 HydrophobicContact CB-CB 4.44Å; C686-R688 HydrophobicContact CB-CG 4.37Å; C686-R688 PolarHBondContact O-N 2.99Å; C686-H699 WeakPolarHBondContact CB-NE2 3.4Å; C686-H699 PolarHBondContact SG-CE1 2.92Å; C686-H699 PolarHBondContact SG-NE2 2.64Å; C686-L705 HydrophobicContact CB-CD2 4.26Å; C686-H706 WeakPolarHBondContact SG-CA 3.45Å
687S91.6Very high91.8Very high106 Ų10666.5 Ų66.574%0.74137%0.371SS*.THydrogen-bonded Turntrans48.944.2-170.3-65.40000113.8C683 M684C683-S687 WeakPolarHBondContact O-CA 3.41Å; C683-S687 PolarHBondContact O-N 2.81Å; M684-S687 PolarHBondContact O-N 3.34Å; M684-S687 PolarHBondContact O-OG 3.26Å
688R91.4Very high91.9Very high126 Ų12671.3 Ų71.348%0.47539%0.39SS..EExtended strand (participates in β ladder)trans-126.2135.6-177.6-73.7175.7-175.7-158.7-1112.1A682 C683 C686 F690A682-R688 CarbonylContact C-O 3.54Å; A682-R688 VanDerWaalsContact CA-O 3.31Å; A682-R688 WeakPolarHBondContact CA-O 3.45Å; C683-R688 PolarHBondContact N-O 2.63Å; C683-R688 PolarHBondContact O-N 2.93Å; C686-R688 VanDerWaalsContact C-N 3.28Å; C686-R688 HydrophobicContact CB-CB 4.44Å; C686-R688 HydrophobicContact CB-CG 4.37Å; C686-R688 PolarHBondContact O-N 2.99Å; R688-F690 HydrophobicContact CB-CE2 3.72Å; R688-F690 HydrophobicContact CB-CZ 3.75Å; R688-F690 VanDerWaalsContact O-CE2 3.28Å; R688-F690 WeakPolarHBondContact O-CE2 3.12Å
689G91.6Very high92.1Very high62 Ų6266.5 Ų66.564%0.63937%0.372SS*.EExtended strand (participates in β ladder)trans-96.7149.9169.700000112.2
690F95.1Very high92.4Very high51 Ų5164.6 Ų64.622%0.22434%0.344CS..  trans-125.5162-175.5-63.7-86.1000111.2L681 C683 R688 L696 H699L681-F690 WeakPolarHBondContact O-CB 3.46Å; L681-F690 PolarHBondContact O-N 2.68Å; C683-F690 HydrophobicContact CB-CE2 4.05Å; R688-F690 HydrophobicContact CB-CE2 3.72Å; R688-F690 HydrophobicContact CB-CZ 3.75Å; R688-F690 VanDerWaalsContact O-CE2 3.28Å; R688-F690 WeakPolarHBondContact O-CE2 3.12Å; F690-L696 HydrophobicContact CB-CB 4.16Å; F690-L696 HydrophobicContact CD2-CB 4.3Å; F690-L696 HydrophobicContact CD2-CD1 3.57Å; F690-L696 HydrophobicContact CE2-CD1 3.98Å; F690-L696 HydrophobicContact CG-CB 4.27Å; F690-L696 HydrophobicContact CG-CD1 4.36Å; F690-H699 HydrophobicContact CD1-CB 4.22Å; F690-H699 HydrophobicContact CE1-CB 3.5Å; F690-H699 AromaticContact CE1-CG 3.69Å; F690-H699 HydrophobicContact CE2-CB 4.18Å; F690-H699 AromaticContact CE2-CD2 3.34Å; F690-H699 WeakPolarHBondContact CE2-CD2 3.37Å; F690-H699 AromaticContact CE2-CG 3.79Å; F690-H699 AromaticContact CE2-NE2 3.83Å; F690-H699 HydrophobicContact CZ-CB 3.5Å; F690-H699 AromaticContact CZ-CD2 3.18Å; F690-H699 WeakPolarHBondContact CZ-CD2 3.23Å; F690-H699 AromaticContact CZ-CE1 3.87Å; F690-H699 AromaticContact CZ-CG 3.14Å; F690-H699 AromaticContact CZ-ND1 3.59Å; F690-H699 AromaticContact CZ-NE2 3.63Å
691K90.5Very high92.4Very high165 Ų16559 Ų5972%0.71733%0.326SS*.SBendtrans-86.5-23.9-172.765.2174.5-176.879.40114T695K691-T695 HydrophobicContact CG-CG2 4.32Å
692D92.7Very high92.3Very high52 Ų5264 Ų6428%0.27835%0.346SS..SBendtrans-156.2162.9-17950.942.6000110A694 T695 L696D692-A694 PolarHBondContact O-N 2.88Å; D692-A694 PolarHBondContact OD1-N 2.82Å; D692-T695 PolarHBondContact N-OG1 3.35Å; D692-T695 PolarHBondContact O-N 2.89Å; D692-T695 PolarHBondContact O-OG1 3.3Å; D692-T695 VanDerWaalsContact O-OG1 3.06Å; D692-T695 VanDerWaalsContact OD1-CB 3.28Å; D692-T695 WeakPolarHBondContact OD1-CB 3.2Å; D692-T695 WeakPolarHBondContact OD1-CG2 3.29Å; D692-T695 PolarHBondContact OD1-N 3.05Å; D692-T695 PolarHBondContact OD1-OG1 2.76Å; D692-L696 PolarHBondContact O-N 2.73Å
693A91.2Very high92.2Very high49 Ų4964.6 Ų64.641%0.40535%0.349SS..Hα-helixtrans-61.6-29.8179.400000112.4W678 L681 L696 Q697W678-A693 HydrophobicContact CE3-CB 4.36Å; W678-A693 HydrophobicContact CZ3-CB 4.21Å; L681-A693 HydrophobicContact CD2-CB 4.1Å; A693-L696 PolarHBondContact O-N 2.84Å; A693-Q697 WeakPolarHBondContact O-CB 3.48Å; A693-Q697 PolarHBondContact O-N 3.4Å
694A91.1Very high92.1Very high60 Ų6066.3 Ų66.350%0.49637%0.367SS..Hα-helixtrans-67-36.1177.500000112.9D692 K698D692-A694 PolarHBondContact O-N 2.88Å; D692-A694 PolarHBondContact OD1-N 2.82Å; A694-K698 WeakPolarHBondContact O-CB 3.44Å; A694-K698 VanDerWaalsContact O-CG 3.28Å; A694-K698 WeakPolarHBondContact O-CG 3.3Å; A694-K698 PolarHBondContact O-N 3.44Å
695T93.3Very high92.1Very high38 Ų3863.9 Ų63.923%0.23336%0.356CS..Hα-helixtrans-78.7-31.7174.945.50000112.8K691 D692 H699K691-T695 HydrophobicContact CG-CG2 4.32Å; D692-T695 PolarHBondContact N-OG1 3.35Å; D692-T695 PolarHBondContact O-N 2.89Å; D692-T695 PolarHBondContact O-OG1 3.3Å; D692-T695 VanDerWaalsContact O-OG1 3.06Å; D692-T695 VanDerWaalsContact OD1-CB 3.28Å; D692-T695 WeakPolarHBondContact OD1-CB 3.2Å; D692-T695 WeakPolarHBondContact OD1-CG2 3.29Å; D692-T695 PolarHBondContact OD1-N 3.05Å; D692-T695 PolarHBondContact OD1-OG1 2.76Å; T695-H699 WeakPolarHBondContact O-CB 3.31Å; T695-H699 PolarHBondContact O-N 2.99Å
696L93.9Very high92.2Very high0 Ų062.8 Ų62.80%035%0.35CS..Hα-helixtrans-62-46.8167.9-179.962.4000111.1L676 W678 C683 F690 D692 A693 H699 R700L676-L696 HydrophobicContact CD2-CD1 3.89Å; L676-L696 HydrophobicContact CD2-CG 4.42Å; W678-L696 HydrophobicContact CD2-CD2 4.02Å; W678-L696 HydrophobicContact CE3-CD2 3.74Å; W678-L696 HydrophobicContact CH2-CD2 4.47Å; W678-L696 HydrophobicContact CZ3-CD2 3.99Å; W678-L696 HydrophobicContact CZ3-CG 4.38Å; C683-L696 HydrophobicContact CB-CD1 3.96Å; F690-L696 HydrophobicContact CB-CB 4.16Å; F690-L696 HydrophobicContact CD2-CB 4.3Å; F690-L696 HydrophobicContact CD2-CD1 3.57Å; F690-L696 HydrophobicContact CE2-CD1 3.98Å; F690-L696 HydrophobicContact CG-CB 4.27Å; F690-L696 HydrophobicContact CG-CD1 4.36Å; D692-L696 PolarHBondContact O-N 2.73Å; A693-L696 PolarHBondContact O-N 2.84Å; L696-H699 WeakPolarHBondContact O-CB 3.38Å; L696-H699 PolarHBondContact O-N 2.83Å; L696-H699 VanDerWaalsContact O-N 3.15Å; L696-R700 PolarHBondContact O-N 2.9Å
697Q92.2Very high92.2Very high90 Ų9064.2 Ų64.242%0.42135%0.354SS..Hα-helixtrans-66-39177.7-17665.3-700112.5W678 A693 H699 R700 A701W678-Q697 HydrophobicContact CH2-CB 4.28Å; A693-Q697 WeakPolarHBondContact O-CB 3.48Å; A693-Q697 PolarHBondContact O-N 3.4Å; Q697-H699 VanDerWaalsContact C-N 3.3Å; Q697-H699 PolarHBondContact O-N 3.05Å; Q697-R700 PolarHBondContact O-N 3.28Å; Q697-A701 WeakPolarHBondContact O-CB 3.33Å; Q697-A701 PolarHBondContact O-N 3.01Å
698K93.3Very high92.1Very high138 Ų13864 Ų6460%0.634%0.341SS*.Hα-helixtrans-65.2-32.1171.7-76.4175.7179-1760112.6A694 F702A694-K698 WeakPolarHBondContact O-CB 3.44Å; A694-K698 VanDerWaalsContact O-CG 3.28Å; A694-K698 WeakPolarHBondContact O-CG 3.3Å; A694-K698 PolarHBondContact O-N 3.44Å; K698-F702 HydrophobicContact CB-CD2 4.46Å; K698-F702 WeakPolarHBondContact O-CB 3.43Å; K698-F702 WeakPolarHBondContact O-CD2 3.36Å; K698-F702 PolarHBondContact O-N 2.81Å
699H94.4Very high92.2Very high10 Ų1059.6 Ų59.65%0.04633%0.327CS..Hα-helixtrans-67.6-46.1173166.366.1000111.7C683 C686 F690 T695 L696 Q697 A701 S703 H706C683-H699 VanDerWaalsContact CB-NE2 3.34Å; C683-H699 WeakPolarHBondContact CB-NE2 3.42Å; C686-H699 WeakPolarHBondContact CB-NE2 3.4Å; C686-H699 PolarHBondContact SG-CE1 2.92Å; C686-H699 PolarHBondContact SG-NE2 2.64Å; F690-H699 HydrophobicContact CD1-CB 4.22Å; F690-H699 HydrophobicContact CE1-CB 3.5Å; F690-H699 AromaticContact CE1-CG 3.69Å; F690-H699 HydrophobicContact CE2-CB 4.18Å; F690-H699 AromaticContact CE2-CD2 3.34Å; F690-H699 WeakPolarHBondContact CE2-CD2 3.37Å; F690-H699 AromaticContact CE2-CG 3.79Å; F690-H699 AromaticContact CE2-NE2 3.83Å; F690-H699 HydrophobicContact CZ-CB 3.5Å; F690-H699 AromaticContact CZ-CD2 3.18Å; F690-H699 WeakPolarHBondContact CZ-CD2 3.23Å; F690-H699 AromaticContact CZ-CE1 3.87Å; F690-H699 AromaticContact CZ-CG 3.14Å; F690-H699 AromaticContact CZ-ND1 3.59Å; F690-H699 AromaticContact CZ-NE2 3.63Å; T695-H699 WeakPolarHBondContact O-CB 3.31Å; T695-H699 PolarHBondContact O-N 2.99Å; L696-H699 WeakPolarHBondContact O-CB 3.38Å; L696-H699 PolarHBondContact O-N 2.83Å; L696-H699 VanDerWaalsContact O-N 3.15Å; Q697-H699 VanDerWaalsContact C-N 3.3Å; Q697-H699 PolarHBondContact O-N 3.05Å; H699-A701 VanDerWaalsContact C-N 3.32Å; H699-A701 PolarHBondContact O-N 3.18Å; H699-S703 WeakPolarHBondContact ND1-CB 3.5Å; H699-S703 PolarHBondContact ND1-OG 3.36Å; H699-S703 VanDerWaalsContact ND1-OG 3.13Å; H699-S703 WeakPolarHBondContact O-CB 3.16Å; H699-S703 PolarHBondContact O-N 3.49Å; H699-H706 AromaticContact NE2-ND1 3.91Å
700R92.1Very high92.2Very high59 Ų5957.1 Ų57.122%0.22330%0.3CS..Hα-helixtrans-53.9-48.5173.2-167.8-170.4-174.5165.85.8111.6E672 N673 L676 L696 Q697 H706E672-R700 VanDerWaalsContact CD-NE 3.29Å; E672-R700 VanDerWaalsContact CD-NH2 3.31Å; E672-R700 WeakPolarHBondContact OE1-CG 3.24Å; E672-R700 IonicContact OE1-CZ 2.68Å; E672-R700 IonicContact OE1-NE 2.78Å; E672-R700 PolarHBondContact OE1-NE 3.43Å; E672-R700 IonicContact OE1-NH2 3.18Å; E672-R700 IonicContact OE2-CZ 3.24Å; E672-R700 IonicContact OE2-NE 2.76Å; E672-R700 PolarHBondContact OE2-NE 2.99Å; E672-R700 IonicContact OE2-NH2 2.67Å; E672-R700 PolarHBondContact OE2-NH2 3.44Å; N673-R700 PolarHBondContact OD1-NH1 3.49Å; N673-R700 PolarHBondContact OD1-NH2 3.26Å; L676-R700 HydrophobicContact CD1-CG 4.14Å; L696-R700 PolarHBondContact O-N 2.9Å; Q697-R700 PolarHBondContact O-N 3.28Å; R700-H706 PolarHBondContact O-CD2 2.81Å
701A90.7Very high92Very high33 Ų3356.3 Ų56.327%0.27330%0.297SS..Hα-helixtrans-79.8-22.8-172.900000115.8Q697 H699 Y707Q697-A701 WeakPolarHBondContact O-CB 3.33Å; Q697-A701 PolarHBondContact O-N 3.01Å; H699-A701 VanDerWaalsContact C-N 3.32Å; H699-A701 PolarHBondContact O-N 3.18Å; A701-Y707 PolarHBondContact O-OH 2.92Å
702F89Confident92.1Very high150 Ų15053.6 Ų53.666%0.65829%0.286SS*.Hα-helixtrans-137-0.6-169.8-57.9-70.4000115.7K698K698-F702 HydrophobicContact CB-CD2 4.46Å; K698-F702 WeakPolarHBondContact O-CB 3.43Å; K698-F702 WeakPolarHBondContact O-CD2 3.36Å; K698-F702 PolarHBondContact O-N 2.81Å
703S92.5Very high91.9Very high26 Ų2652.1 Ų52.118%0.18228%0.278CS..  trans-90.6114.1-176.6-156.70000111.6H699 L705 H706 Y707H699-S703 WeakPolarHBondContact ND1-CB 3.5Å; H699-S703 PolarHBondContact ND1-OG 3.36Å; H699-S703 VanDerWaalsContact ND1-OG 3.13Å; H699-S703 WeakPolarHBondContact O-CB 3.16Å; H699-S703 PolarHBondContact O-N 3.49Å; S703-L705 PolarHBondContact O-N 3.35Å; S703-L705 VanDerWaalsContact O-N 3.13Å; S703-H706 WeakPolarHBondContact O-CA 3.5Å; S703-H706 VanDerWaalsContact O-CB 3.28Å; S703-H706 WeakPolarHBondContact O-CB 3.49Å; S703-H706 PolarHBondContact O-N 3.15Å; S703-Y707 PolarHBondContact O-N 3.36Å
704G92.2Very high92Very high36 Ų3650.6 Ų50.637%0.37126%0.261SS..Hα-helixtrans-53-35.6178.700000114.2H706 Y707 E708G704-H706 VanDerWaalsContact C-N 3.31Å; G704-H706 PolarHBondContact O-N 3.09Å; G704-Y707 PolarHBondContact O-N 2.84Å; G704-E708 WeakPolarHBondContact O-CB 3.42Å; G704-E708 PolarHBondContact O-N 2.95Å
705L90.6Very high91.9Very high54 Ų5450.2 Ų50.228%0.28326%0.263SS..Hα-helixtrans-65.3-31.5174.4-178.465000113.2C686 S703 N709C686-L705 HydrophobicContact CB-CD2 4.26Å; S703-L705 PolarHBondContact O-N 3.35Å; S703-L705 VanDerWaalsContact O-N 3.13Å; L705-N709 WeakPolarHBondContact O-CB 3.28Å; L705-N709 PolarHBondContact O-N 3.37Å; L705-N709 VanDerWaalsContact O-N 3.11Å
706H93.6Very high91.6Very high2 Ų256.8 Ų56.81%0.00929%0.289CS..Hα-helixtrans-69.5-48.5175.2-170.986.8000110E672 C683 C686 H699 R700 S703 G704 E708 N709 L710E672-H706 IonicContact OE1-CD2 3.75Å; E672-H706 IonicContact OE1-CE1 3.99Å; E672-H706 IonicContact OE1-NE2 3.02Å; E672-H706 PolarHBondContact OE1-NE2 2.93Å; C683-H706 PolarHBondContact SG-ND1 3.45Å; C686-H706 WeakPolarHBondContact SG-CA 3.45Å; H699-H706 AromaticContact NE2-ND1 3.91Å; R700-H706 PolarHBondContact O-CD2 2.81Å; S703-H706 WeakPolarHBondContact O-CA 3.5Å; S703-H706 VanDerWaalsContact O-CB 3.28Å; S703-H706 WeakPolarHBondContact O-CB 3.49Å; S703-H706 PolarHBondContact O-N 3.15Å; G704-H706 VanDerWaalsContact C-N 3.31Å; G704-H706 PolarHBondContact O-N 3.09Å; H706-E708 PolarHBondContact O-N 3.19Å; H706-N709 PolarHBondContact O-N 2.81Å; H706-L710 WeakPolarHBondContact O-CB 3.24Å; H706-L710 PolarHBondContact O-N 3.25Å
707Y93.2Very high91.3Very high41 Ų4161.3 Ų61.316%0.16131%0.306CS..Hα-helixtrans-60.9-41173.9-78.5-88.6000113.1A701 S703 G704 N709 L710 N711 I722 P725A701-Y707 PolarHBondContact O-OH 2.92Å; S703-Y707 PolarHBondContact O-N 3.36Å; G704-Y707 PolarHBondContact O-N 2.84Å; Y707-N709 PolarHBondContact O-N 2.78Å; Y707-L710 PolarHBondContact O-N 3.44Å; Y707-N711 WeakPolarHBondContact O-CB 3.29Å; Y707-N711 VanDerWaalsContact O-CG 3.25Å; Y707-N711 PolarHBondContact O-N 2.61Å; Y707-N711 PolarHBondContact O-ND2 3.32Å; Y707-I722 HydrophobicContact CD1-CG2 4.42Å; Y707-I722 HydrophobicContact CE1-CG2 4.19Å; Y707-P725 HydrophobicContact CD2-CG 4.5Å; Y707-P725 HydrophobicContact CE1-CG 4.03Å; Y707-P725 VanDerWaalsContact CE2-CD 3.43Å; Y707-P725 HydrophobicContact CE2-CG 3.76Å; Y707-P725 VanDerWaalsContact CZ-CG 3.49Å; Y707-P725 WeakPolarHBondContact OH-CG 3.43Å
708E90.7Very high90.9Very high101 Ų10160.3 Ų60.347%0.47232%0.32SS..Hα-helixtrans-62.5-44.4177.9-163.9-160.5139.700111.6G704 H706 K712G704-E708 WeakPolarHBondContact O-CB 3.42Å; G704-E708 PolarHBondContact O-N 2.95Å; H706-E708 PolarHBondContact O-N 3.19Å; E708-K712 WeakPolarHBondContact O-CG 3.48Å; E708-K712 PolarHBondContact O-N 3.31Å; E708-K712 VanDerWaalsContact O-N 3.14Å; E708-K712 VanDerWaalsContact OE1-CE 3.32Å; E708-K712 WeakPolarHBondContact OE1-CE 3.35Å; E708-K712 IonicContact OE1-NZ 3.28Å; E708-K712 PolarHBondContact OE1-NZ 3.43Å
709N92.2Very high90.5Very high34 Ų3454.1 Ų54.118%0.18229%0.293CS..Hα-helixtrans-76.5-30.2178.2-71.3-6.3000112.8L685 L705 H706 Y707 K712 L713L685-N709 HydrophobicContact CD1-CB 3.92Å; L685-N709 HydrophobicContact CD2-CB 4.46Å; L685-N709 HydrophobicContact CG-CB 3.82Å; L685-N709 PolarHBondContact O-ND2 3.39Å; L705-N709 WeakPolarHBondContact O-CB 3.28Å; L705-N709 PolarHBondContact O-N 3.37Å; L705-N709 VanDerWaalsContact O-N 3.11Å; H706-N709 PolarHBondContact O-N 2.81Å; Y707-N709 PolarHBondContact O-N 2.78Å; N709-K712 PolarHBondContact O-N 3.47Å; N709-K712 PolarHBondContact OD1-NZ 2.95Å; N709-L713 PolarHBondContact O-N 3Å
710L92Very high89.9Confident11 Ų1158 Ų586%0.05832%0.319CS..Hα-helixtrans-66.3-38.9171-170.3104.3000111.2E672 L685 H706 Y707 L713 R714 I722E672-L710 HydrophobicContact CB-CD1 3.97Å; E672-L710 VanDerWaalsContact CD-CD1 3.45Å; E672-L710 HydrophobicContact CG-CD1 3.54Å; L685-L710 HydrophobicContact CD2-CB 4.14Å; L685-L710 HydrophobicContact CD2-CD1 4.25Å; H706-L710 WeakPolarHBondContact O-CB 3.24Å; H706-L710 PolarHBondContact O-N 3.25Å; Y707-L710 PolarHBondContact O-N 3.44Å; L710-L713 CarbonylContact O-C 3.55Å; L710-L713 WeakPolarHBondContact O-CA 3.32Å; L710-L713 WeakPolarHBondContact O-CB 3.31Å; L710-L713 PolarHBondContact O-N 3.34Å; L710-L713 VanDerWaalsContact O-N 3.08Å; L710-R714 PolarHBondContact O-N 3.33Å; L710-I722 HydrophobicContact CD2-CD1 3.82Å
711N91.6Very high89.5Confident33 Ų3358.6 Ų58.618%0.17634%0.337CS..Hα-helixtrans-68.3-34.7175.1-74.4-19000112Y707 L713 R714 G715 A721 I722Y707-N711 WeakPolarHBondContact O-CB 3.29Å; Y707-N711 VanDerWaalsContact O-CG 3.25Å; Y707-N711 PolarHBondContact O-N 2.61Å; Y707-N711 PolarHBondContact O-ND2 3.32Å; N711-L713 VanDerWaalsContact C-N 3.26Å; N711-L713 PolarHBondContact O-N 3.49Å; N711-R714 PolarHBondContact O-N 3.47Å; N711-G715 PolarHBondContact O-N 3.23Å; N711-A721 HydrophobicContact CB-CB 4.13Å; N711-I722 PolarHBondContact ND2-O 2.85Å; N711-I722 PolarHBondContact OD1-N 2.81Å
712K91Very high89.2Confident109 Ų10960 Ų6047%0.47434%0.339SS..Hα-helixtrans-65.5-28.2168.5-67166.8-161.9160.40112.9E708 N709E708-K712 WeakPolarHBondContact O-CG 3.48Å; E708-K712 PolarHBondContact O-N 3.31Å; E708-K712 VanDerWaalsContact O-N 3.14Å; E708-K712 VanDerWaalsContact OE1-CE 3.32Å; E708-K712 WeakPolarHBondContact OE1-CE 3.35Å; E708-K712 IonicContact OE1-NZ 3.28Å; E708-K712 PolarHBondContact OE1-NZ 3.43Å; N709-K712 PolarHBondContact O-N 3.47Å; N709-K712 PolarHBondContact OD1-NZ 2.95Å
713L89.5Confident88.7Confident21 Ų2158 Ų5811%0.1134%0.342CS..Hα-helixtrans-74.6-48.6172.7-174.663.7000110.7E671 N709 L710 N711 G715 K716 Y717E671-L713 HydrophobicContact CB-CD2 3.9Å; N709-L713 PolarHBondContact O-N 3Å; L710-L713 CarbonylContact O-C 3.55Å; L710-L713 WeakPolarHBondContact O-CA 3.32Å; L710-L713 WeakPolarHBondContact O-CB 3.31Å; L710-L713 PolarHBondContact O-N 3.34Å; L710-L713 VanDerWaalsContact O-N 3.08Å; N711-L713 VanDerWaalsContact C-N 3.26Å; N711-L713 PolarHBondContact O-N 3.49Å; L713-G715 VanDerWaalsContact C-N 3.32Å; L713-G715 PolarHBondContact O-N 3.14Å; L713-K716 WeakPolarHBondContact O-CB 3.47Å; L713-K716 PolarHBondContact O-N 3.31Å; L713-Y717 HydrophobicContact CD1-CE2 4.08Å; L713-Y717 HydrophobicContact CG-CE2 4.48Å; L713-Y717 WeakPolarHBondContact O-CD2 3.29Å
714R92.3Very high87.8Confident17 Ų1760.2 Ų60.26%0.06435%0.354CS..Hα-helixtrans-54.8-44.1175.1-75.2177.669.991.9-2.6112.6E665 V668 L710 N711 K716 Y717 G718 L719 P720E665-R714 IonicContact OE1-CZ 3.94Å; E665-R714 IonicContact OE1-NH1 3.36Å; E665-R714 PolarHBondContact OE1-NH1 2.7Å; E665-R714 IonicContact OE1-NH2 3.83Å; E665-R714 PolarHBondContact OE1-NH2 3Å; V668-R714 HydrophobicContact CG1-CG 3.74Å; V668-R714 HydrophobicContact CG2-CG 4.23Å; L710-R714 PolarHBondContact O-N 3.33Å; N711-R714 PolarHBondContact O-N 3.47Å; R714-K716 PolarHBondContact O-N 2.92Å; R714-Y717 CarbonylContact O-C 3.59Å; R714-Y717 WeakPolarHBondContact O-CA 3.46Å; R714-Y717 PolarHBondContact O-N 2.96Å; R714-G718 PolarHBondContact O-N 2.66Å; R714-L719 HydrophobicContact CB-CB 3.98Å; R714-L719 HydrophobicContact CG-CB 4.38Å; R714-L719 PolarHBondContact O-N 2.95Å; R714-P720 PolarHBondContact NE-O 3.16Å; R714-P720 PolarHBondContact NH2-O 2.83Å
715G88.8Confident86.5Confident52 Ų5261 Ų6154%0.53635%0.352SS..G310 helixtrans-60.1-25.2176.100000114.8N711 L713 Y717 G718N711-G715 PolarHBondContact O-N 3.23Å; L713-G715 VanDerWaalsContact C-N 3.32Å; L713-G715 PolarHBondContact O-N 3.14Å; G715-Y717 VanDerWaalsContact C-N 3.31Å; G715-G718 PolarHBondContact O-N 3.18Å
716K88.2Confident84.9Confident175 Ų17563.7 Ų63.776%0.76137%0.371SS*.G310 helixtrans-74.3-21.3172.3-69.9-178.7174.5-1720113.6L713 R714L713-K716 WeakPolarHBondContact O-CB 3.47Å; L713-K716 PolarHBondContact O-N 3.31Å; R714-K716 PolarHBondContact O-N 2.92Å
717Y86.8Confident82.8Confident96 Ų9669.5 Ų69.538%0.37641%0.409SS..G310 helixtrans-102.913.2176.1-67.6-83.6000112.1K667 V668 E671 L713 R714 G715 L719K667-Y717 HydrophobicContact CB-CE1 4.3Å; V668-Y717 HydrophobicContact CG2-CD2 3.46Å; V668-Y717 VanDerWaalsContact CG2-CD2 3.46Å; V668-Y717 HydrophobicContact CG2-CE2 4.17Å; V668-Y717 HydrophobicContact CG2-CG 3.88Å; E671-Y717 HydrophobicContact CG-CE2 4.43Å; L713-Y717 HydrophobicContact CD1-CE2 4.08Å; L713-Y717 HydrophobicContact CG-CE2 4.48Å; L713-Y717 WeakPolarHBondContact O-CD2 3.29Å; R714-Y717 CarbonylContact O-C 3.59Å; R714-Y717 WeakPolarHBondContact O-CA 3.46Å; R714-Y717 PolarHBondContact O-N 2.96Å; G715-Y717 VanDerWaalsContact C-N 3.31Å; Y717-L719 PolarHBondContact O-N 3.47Å
718G84.6Confident80.3Confident68 Ų6873.2 Ų73.270%0.70144%0.436SS*.THydrogen-bonded Turntrans76.6-3.7179.800000115.6R714 G715R714-G718 PolarHBondContact O-N 2.66Å; G715-G718 PolarHBondContact O-N 3.18Å
719L84.3Confident77.9Confident9 Ų976 Ų765%0.04745%0.449CS..PPolyproline II helixtrans-78146-170.5-76.1167.4000113.8D661 A664 E665 V668 R714 Y717D661-L719 HydrophobicContact CB-CD2 4.35Å; A664-L719 HydrophobicContact CB-CD1 3.76Å; A664-L719 HydrophobicContact CB-CD2 4.11Å; A664-L719 HydrophobicContact CB-CG 3.89Å; E665-L719 HydrophobicContact CB-CD1 4.48Å; E665-L719 HydrophobicContact CG-CD1 3.92Å; E665-L719 HydrophobicContact CG-CD2 3.82Å; V668-L719 HydrophobicContact CB-CD1 4.43Å; V668-L719 HydrophobicContact CG2-CD1 3.82Å; R714-L719 HydrophobicContact CB-CB 3.98Å; R714-L719 HydrophobicContact CG-CB 4.38Å; R714-L719 PolarHBondContact O-N 2.95Å; Y717-L719 PolarHBondContact O-N 3.47Å
720P82.6Confident75.1Confident91 Ų9182.1 Ų82.159%0.59148%0.481SS*.PPolyproline II helixtrans-65.2147.4177.327.6-34.9000112R714R714-P720 PolarHBondContact NE-O 3.16Å; R714-P720 PolarHBondContact NH2-O 2.83Å
721A83.8Confident72.6Confident72 Ų7289.6 Ų89.660%0.59552%0.516SS*.PPolyproline II helixtrans-70.1137.5-178.400000112.6N711N711-A721 HydrophobicContact CB-CB 4.13Å
722I83.2Confident69.6Low61 Ų6197.7 Ų97.731%0.31355%0.553SS.*PPolyproline II helixtrans-80.9133.8175.9-54.6-179.4000109.3Y707 L710 N711 V724Y707-I722 HydrophobicContact CD1-CG2 4.42Å; Y707-I722 HydrophobicContact CE1-CG2 4.19Å; L710-I722 HydrophobicContact CD2-CD1 3.82Å; N711-I722 PolarHBondContact ND2-O 2.85Å; N711-I722 PolarHBondContact OD1-N 2.81Å; I722-V724 PolarHBondContact O-N 2.97Å
723P78.1Confident66.9Low110 Ų11097.2 Ų97.271%0.71457%0.569SS**PPolyproline II helixtrans-57135.5172.2-2534.7000112.3P725P723-P725 WeakPolarHBondContact O-CD 3.32Å
724V73.8Confident64.3Low71 Ų71101.7 Ų101.743%0.4360%0.602SS.*PPolyproline II helixtrans-69.4127.7173.7-175.20000108.9I722 T726I722-V724 PolarHBondContact O-N 2.97Å; V724-T726 PolarHBondContact O-N 3.16Å
725P66.5Low61.6Low52 Ų52108.1 Ų108.134%0.33864%0.643SS.*  trans-63.3104.6173.6-2132.8000110.5Y707 P723Y707-P725 HydrophobicContact CD2-CG 4.5Å; Y707-P725 HydrophobicContact CE1-CG 4.03Å; Y707-P725 VanDerWaalsContact CE2-CD 3.43Å; Y707-P725 HydrophobicContact CE2-CG 3.76Å; Y707-P725 VanDerWaalsContact CZ-CG 3.49Å; Y707-P725 WeakPolarHBondContact OH-CG 3.43Å; P723-P725 WeakPolarHBondContact O-CD 3.32Å
726T56Low58.9Low111 Ų111110 Ų11068%0.68165%0.654SS**  trans-72.6134.6170.844.10000109.1V724 V728V724-T726 PolarHBondContact O-N 3.16Å; T726-V728 PolarHBondContact O-N 3.13Å
727P49.7Very low56.4Low124 Ų124108.8 Ų108.881%0.80566%0.661SS**  trans-69.4100.3173.128.2-32.5000108.4Q729P727-Q729 PolarHBondContact O-N 3.44Å
728V41Very low54Low119 Ų119110.8 Ų110.872%0.72168%0.678SS**  trans-56.9112.9175.4178.50000108.2T726 N730T726-V728 PolarHBondContact O-N 3.13Å; V728-N730 PolarHBondContact O-N 3.45Å
729Q39Very low51.9Low161 Ų161112.8 Ų112.875%0.75268%0.681SS**  trans-69.2123.3164.5-69.6-177.3-18.200106.9P727 Q731P727-Q729 PolarHBondContact O-N 3.44Å; Q729-Q731 PolarHBondContact O-N 2.8Å
730N33.7Very low49.7Very low162 Ų162117.3 Ų117.387%0.86671%0.711SS**  trans-56.5108.5175-73.5-1.9000109.4V728V728-N730 PolarHBondContact O-N 3.45Å
731Q39.2Very low47.5Very low167 Ų167122.2 Ų122.278%0.7872%0.723SS**  trans-114.1134.8161.2-68.6-169.14.800107.7Q729 A733Q729-Q731 PolarHBondContact O-N 2.8Å; Q731-A733 PolarHBondContact O-N 2.81Å
732E29.9Very low45.3Very low204 Ų204127 Ų12795%0.95374%0.739SS**  trans-82109-174-62.7161.6132.600109.2
733A34.9Very low43.4Very low99 Ų99129.5 Ų129.582%0.81876%0.762SS**  trans-142.2104.3174.700000110.3Q731Q731-A733 PolarHBondContact O-N 2.81Å
734S33.5Very low42Very low114 Ų114130.5 Ų130.580%0.79776%0.761SS**  trans-87.2134.617547.30000111.4
735T36.9Very low41.1Very low152 Ų152130.8 Ų130.893%0.93377%0.765SS**  trans-172.3157.7146.311.90000109.6
736A31.2Very low40.3Very low93 Ų93134.8 Ų134.877%0.76978%0.783SS**  trans-129143.4-168.600000113.2
737V36.1Very low40.5Very low148 Ų148132.8 Ų132.890%0.89778%0.777SS**  trans-139156.6165.4-173.60000108.3
738N37.1Very low41.2Very low139 Ų139128.9 Ų128.974%0.74375%0.753SS**  trans-105.5144.3-154.1-65.9-71.2000116.5
739S39Very low42.1Very low109 Ų109128.9 Ų128.976%0.76275%0.748SS**  trans67.7165.4136.5-790000120.8
740P38.6Very low43.1Very low104 Ų104127.7 Ų127.768%0.67574%0.744SS**  cis-136.7146.6-24.231.2-12000116.3
741K36.8Very low44.5Very low195 Ų195126.1 Ų126.185%0.84873%0.732SS**  trans47.396.3136.4-53.9170.7-174.1175.40119.6
742N37.6Very low45.4Very low173 Ų173122.5 Ų122.593%0.92572%0.717SS**  -160104.9117.5-142.11.1000111.4
743S42.6Very low46.7Very low113 Ų113114.8 Ų114.879%0.7969%0.692SS**  trans-153.8122.5175.151.70000111.8
744L49.1Very low47.7Very low131 Ų131113 Ų11369%0.68668%0.678SS**  trans-66.2144.9168.7-69166.7000109.4
745S55Low48.9Very low76 Ų76113.4 Ų113.453%0.53167%0.667SS.*  trans-67.9144-179.569.10000111.3A747 S748 L749S745-A747 PolarHBondContact O-N 2.86Å; S745-A747 VanDerWaalsContact O-N 3.16Å; S745-S748 WeakPolarHBondContact O-CB 3.36Å; S745-S748 PolarHBondContact O-N 2.88Å; S745-S748 PolarHBondContact OG-N 2.76Å; S745-L749 PolarHBondContact O-N 3.02Å; S745-L749 VanDerWaalsContact O-N 3.11Å
746I49.2Very low49.8Very low137 Ų137110.7 Ų110.770%0.70365%0.65SS**Hα-helixtrans-55.9-35.9179.6-63.7172000110.9L749 M750I746-L749 PolarHBondContact O-N 2.97Å; I746-M750 HydrophobicContact CG2-CG 4.44Å; I746-M750 HydrophobicContact CG2-SD 4.2Å; I746-M750 WeakPolarHBondContact O-CG 3.44Å; I746-M750 PolarHBondContact O-N 2.98Å
747A61.5Low50.5Low68 Ų68109.3 Ų109.356%0.56264%0.639SS**Hα-helixtrans-60.1-44.5173.800000113S745 M750 Q751S745-A747 PolarHBondContact O-N 2.86Å; S745-A747 VanDerWaalsContact O-N 3.16Å; A747-M750 PolarHBondContact O-N 3.25Å; A747-Q751 WeakPolarHBondContact O-CB 3.46Å; A747-Q751 PolarHBondContact O-N 3.13Å
748S63.4Low51.8Low43 Ų43104.9 Ų104.930%0.30162%0.615SS.*Hα-helixtrans-65.1-41.6177.6-177.10000111.5S745 Q751 I752S745-S748 WeakPolarHBondContact O-CB 3.36Å; S745-S748 PolarHBondContact O-N 2.88Å; S745-S748 PolarHBondContact OG-N 2.76Å; S748-Q751 PolarHBondContact O-N 2.81Å; S748-I752 WeakPolarHBondContact O-CG1 3.36Å; S748-I752 PolarHBondContact O-N 3.41Å
749L59.1Low52.6Low118 Ų118103.5 Ų103.562%0.61861%0.607SS**Hα-helixtrans-64.9-42.2177.8-159.473.7000112.2S745 I746 Q751 G753S745-L749 PolarHBondContact O-N 3.02Å; S745-L749 VanDerWaalsContact O-N 3.11Å; I746-L749 PolarHBondContact O-N 2.97Å; L749-Q751 VanDerWaalsContact C-N 3.33Å; L749-Q751 PolarHBondContact O-N 2.9Å; L749-G753 PolarHBondContact O-N 3.23Å; L749-G753 VanDerWaalsContact O-N 3.09Å
750M60.4Low53.3Low136 Ų136104.8 Ų104.867%0.6760%0.601SS**Hα-helixtrans-61.7-39.7173.5-74.4179.668.300112.3I746 A747 G753 A754I746-M750 HydrophobicContact CG2-CG 4.44Å; I746-M750 HydrophobicContact CG2-SD 4.2Å; I746-M750 WeakPolarHBondContact O-CG 3.44Å; I746-M750 PolarHBondContact O-N 2.98Å; A747-M750 PolarHBondContact O-N 3.25Å; M750-G753 PolarHBondContact O-N 3.19Å; M750-A754 WeakPolarHBondContact O-CB 3.33Å; M750-A754 PolarHBondContact O-N 3.25Å
751Q63.5Low54Low129 Ų129103 Ų10360%0.60359%0.594SS**Hα-helixtrans-70.3-37.3-177.5-159.4166.72200112.2A747 S748 L749 Q755A747-Q751 WeakPolarHBondContact O-CB 3.46Å; A747-Q751 PolarHBondContact O-N 3.13Å; S748-Q751 PolarHBondContact O-N 2.81Å; L749-Q751 VanDerWaalsContact C-N 3.33Å; L749-Q751 PolarHBondContact O-N 2.9Å; Q751-Q755 WeakPolarHBondContact O-CG 3.42Å; Q751-Q755 PolarHBondContact O-N 2.98Å
752I58.7Low54.9Low91 Ų91100.7 Ų100.747%0.46759%0.585SS.*Hα-helixtrans-64.4-46.6171.7-66.7165.2000110.5S748 A754 Q755 T756S748-I752 WeakPolarHBondContact O-CG1 3.36Å; S748-I752 PolarHBondContact O-N 3.41Å; I752-A754 VanDerWaalsContact C-N 3.34Å; I752-A754 PolarHBondContact O-N 3.45Å; I752-Q755 PolarHBondContact O-N 2.96Å; I752-T756 PolarHBondContact O-N 3.26Å; I752-T756 VanDerWaalsContact O-N 3.1Å; I752-T756 PolarHBondContact O-OG1 3.47Å
753G56.1Low55.5Low42 Ų4296.2 Ų96.243%0.43357%0.567SS.*Hα-helixtrans-58.6-42.9177.400000113.2L749 M750 A757L749-G753 PolarHBondContact O-N 3.23Å; L749-G753 VanDerWaalsContact O-N 3.09Å; M750-G753 PolarHBondContact O-N 3.19Å; G753-A757 PolarHBondContact O-N 3.06Å; G753-A757 VanDerWaalsContact O-N 3.12Å
754A57Low55.9Low63 Ų6395.6 Ų95.652%0.52156%0.558SS.*Hα-helixtrans-63.9-4017800000113.1M750 I752 S758M750-A754 WeakPolarHBondContact O-CB 3.33Å; M750-A754 PolarHBondContact O-N 3.25Å; I752-A754 VanDerWaalsContact C-N 3.34Å; I752-A754 PolarHBondContact O-N 3.45Å; A754-S758 PolarHBondContact O-N 3.07Å; A754-S758 VanDerWaalsContact O-N 3.14Å
755Q58.8Low55.8Low122 Ų12293.5 Ų93.557%0.5756%0.56SS**Hα-helixtrans-68.8-44.1178.3-72.1-178.5200112.1Q751 I752 A757 S758 N759Q751-Q755 WeakPolarHBondContact O-CG 3.42Å; Q751-Q755 PolarHBondContact O-N 2.98Å; I752-Q755 PolarHBondContact O-N 2.96Å; Q755-A757 PolarHBondContact O-N 3.05Å; Q755-S758 PolarHBondContact O-N 3.2Å; Q755-N759 PolarHBondContact O-N 3.42Å; Q755-N759 VanDerWaalsContact O-N 3.12Å; Q755-N759 PolarHBondContact O-ND2 2.85Å
756T54.5Low55.6Low94 Ų9494.9 Ų94.958%0.57757%0.569SS**Hα-helixtrans-62-41.9177.9-59.40000111.8I752 N759 H760I752-T756 PolarHBondContact O-N 3.26Å; I752-T756 VanDerWaalsContact O-N 3.1Å; I752-T756 PolarHBondContact O-OG1 3.47Å; T756-N759 PolarHBondContact O-N 2.86Å; T756-H760 PolarHBondContact O-N 2.93Å
757A47.6Very low55.3Low64 Ų6498.9 Ų98.953%0.52958%0.576SS.*Hα-helixtrans-63.3-42.1175.800000112.8G753 Q755 N759 H760 A761G753-A757 PolarHBondContact O-N 3.06Å; G753-A757 VanDerWaalsContact O-N 3.12Å; Q755-A757 PolarHBondContact O-N 3.05Å; A757-N759 PolarHBondContact O-N 3.47Å; A757-H760 PolarHBondContact O-N 3.38Å; A757-A761 PolarHBondContact O-N 3.35Å
758S62Low54.4Low56 Ų56104.8 Ų104.839%0.39259%0.591SS.*Hα-helixtrans-65.4-37.4-179.6-163.50000112.9A754 Q755 A761 K762A754-S758 PolarHBondContact O-N 3.07Å; A754-S758 VanDerWaalsContact O-N 3.14Å; Q755-S758 PolarHBondContact O-N 3.2Å; S758-A761 PolarHBondContact O-N 2.83Å; S758-K762 PolarHBondContact O-N 3.24Å
759N55.1Low53.1Low110 Ų110109.5 Ų109.559%0.58862%0.618SS**Hα-helixtrans-70.2-36.1179.9-71.2-20.6000112.5Q755 T756 A757 S763Q755-N759 PolarHBondContact O-N 3.42Å; Q755-N759 VanDerWaalsContact O-N 3.12Å; Q755-N759 PolarHBondContact O-ND2 2.85Å; T756-N759 PolarHBondContact O-N 2.86Å; A757-N759 PolarHBondContact O-N 3.47Å; N759-S763 PolarHBondContact O-N 3.18Å
760H53.6Low52.1Low136 Ų136109 Ų10963%0.6363%0.625SS**Hα-helixtrans-64.9-43.8175-167.1-102.4000111.8T756 A757 K762 S763 V764T756-H760 PolarHBondContact O-N 2.93Å; A757-H760 PolarHBondContact O-N 3.38Å; H760-K762 VanDerWaalsContact C-N 3.33Å; H760-K762 PolarHBondContact O-N 3.26Å; H760-S763 WeakPolarHBondContact O-CB 3.44Å; H760-S763 PolarHBondContact O-N 3.37Å; H760-V764 PolarHBondContact O-N 3.34Å
761A51.9Low51Low65 Ų65108.2 Ų108.254%0.53763%0.633SS.*Hα-helixtrans-59.9-39.117900000113.1A757 S758A757-A761 PolarHBondContact O-N 3.35Å; S758-A761 PolarHBondContact O-N 2.83Å
762K56.7Low49.7Very low148 Ų148113.7 Ų113.764%0.64365%0.648SS**Hα-helixtrans-71.8-30.4177.1-72.3176178.4172.60113.5S758 H760S758-K762 PolarHBondContact O-N 3.24Å; H760-K762 VanDerWaalsContact C-N 3.33Å; H760-K762 PolarHBondContact O-N 3.26Å
763S48.9Very low48.5Very low79 Ų79114.9 Ų114.955%0.55266%0.661SS**Hα-helixtrans-65.8-44.8178.2-172.90000112.3N759 H760N759-S763 PolarHBondContact O-N 3.18Å; H760-S763 WeakPolarHBondContact O-CB 3.44Å; H760-S763 PolarHBondContact O-N 3.37Å
764V52.2Low47.5Very low99 Ų99118.7 Ų118.760%0.668%0.681SS**Hα-helixtrans-70.3-36.7-177-178.50000112.1H760 S766H760-V764 PolarHBondContact O-N 3.34Å; V764-S766 PolarHBondContact O-N 3.13Å; V764-S766 VanDerWaalsContact O-N 3.15Å
765A46.8Very low46.7Very low88 Ų88119.9 Ų119.973%0.72769%0.691SS**THydrogen-bonded Turntrans-66.7-14.1-177.100000115
766S49.7Very low45.8Very low105 Ų105120.1 Ų120.173%0.73471%0.706SS**THydrogen-bonded Turntrans-96.210.3-171.5-167.50000115.4V764V764-S766 PolarHBondContact O-N 3.13Å; V764-S766 VanDerWaalsContact O-N 3.15Å
767R44.5Very low45.3Very low221 Ų221119.6 Ų119.683%0.83472%0.72SS**SBendtrans-117.45.5-169-81.2-167.8171.5-151.2-1.6117.9
768Q41.3Very low45.7Very low191 Ų191126.1 Ų126.189%0.89374%0.739SS**  trans-132.774.7178.9-73.5-171.3-23.900114
769V36.4Very low45.5Very low142 Ų142133.5 Ų133.586%0.86176%0.76SS**  trans-143.2104165.3-178.50000110.2
770S38.5Very low46.4Very low109 Ų109136.9 Ų136.976%0.76276%0.764SS**  trans173.9139.8150.3-86.30000114.2
771S36.9Very low47.4Very low119 Ų119133.6 Ų133.683%0.83275%0.752SS**  trans66.4152.3163.278.50000118.8
772R36.6Very low48.6Very low244 Ų244139.9 Ų139.992%0.92176%0.761SS**  cis-160.8159-42.2-123.7-174.2166.9-170.4-4.3108.2
773P34.6Very low49.3Very low115 Ų115135.3 Ų135.375%0.74775%0.751SS**  trans-109.7166.5-167.240.7-34.7000115.9
774S34.9Very low50.7Low123 Ų123136.4 Ų136.486%0.8675%0.746SS**  trans170175.2139.448.40000114.8
775A39Very low52.1Low87 Ų87135 Ų13572%0.71973%0.733SS**  trans87.174.7159.600000121.8
776S40Very low53.5Low127 Ų127139.4 Ų139.489%0.88873%0.731SS**  trans18.3130.6133.4590000122.5
777G44.1Very low55Low84 Ų84142.5 Ų142.587%0.86673%0.727SS**  trans-166.793.1159.900000113.8
778Q57Low56.6Low201 Ų201138.1 Ų138.194%0.93972%0.715SS**  trans-97.2128.7-174.1-127.1169.2-4.500112.4
779Y57.9Low58.4Low211 Ų211136.3 Ų136.383%0.82770%0.704SS**  trans-77.8142.1-177.7-179.6-96.7000112.6
780R72.8Confident60.2Low180 Ų180136.9 Ų136.968%0.67969%0.692SS**  trans-123.8116.2-175.7-176.6174.4174.6164.52.2111.8R782 E785R780-R782 PolarHBondContact O-N 3.16Å; R780-R782 VanDerWaalsContact O-N 3.13Å; R780-E785 IonicContact CZ-OE1 3.12Å; R780-E785 IonicContact NE-OE1 2.76Å; R780-E785 PolarHBondContact NE-OE1 2.93Å; R780-E785 IonicContact NE-OE2 3.85Å; R780-E785 IonicContact NH2-OE1 2.71Å; R780-E785 PolarHBondContact NH2-OE1 3.06Å
781D75.2Confident61.8Low68 Ų68133.9 Ų133.936%0.36468%0.678SS.*  trans-8190.9-174.6-175.4-1000113.4A783 K784 E785D781-A783 PolarHBondContact O-N 3.45Å; D781-A783 WeakPolarHBondContact OD1-CA 3.48Å; D781-A783 VanDerWaalsContact OD1-CB 3.27Å; D781-A783 WeakPolarHBondContact OD1-CB 3.37Å; D781-A783 PolarHBondContact OD1-N 3.2Å; D781-K784 HydrophobicContact CB-CB 4.09Å; D781-K784 PolarHBondContact O-N 2.81Å; D781-K784 PolarHBondContact OD1-N 3.36Å; D781-K784 VanDerWaalsContact OD2-CB 3.31Å; D781-K784 WeakPolarHBondContact OD2-CB 3.34Å; D781-E785 WeakPolarHBondContact O-CG 3.27Å; D781-E785 PolarHBondContact O-N 3.03Å; D781-E785 VanDerWaalsContact O-N 3.16Å
782R77.9Confident63.1Low196 Ų196135.3 Ų135.374%0.7468%0.675SS**Hα-helixtrans-63.7-18.9172.9-63.9179.6-178167.30.6114.1R780 R786R780-R782 PolarHBondContact O-N 3.16Å; R780-R782 VanDerWaalsContact O-N 3.13Å; R782-R786 WeakPolarHBondContact O-CG 3.38Å; R782-R786 PolarHBondContact O-N 3.31Å; R782-R786 VanDerWaalsContact O-N 3.14Å
783A70.2Confident64.5Low52 Ų52129.2 Ų129.243%0.4367%0.667SS.*Hα-helixtrans-79.8-38.7177.500000111.1D781 R786 R787D781-A783 PolarHBondContact O-N 3.45Å; D781-A783 WeakPolarHBondContact OD1-CA 3.48Å; D781-A783 VanDerWaalsContact OD1-CB 3.27Å; D781-A783 WeakPolarHBondContact OD1-CB 3.37Å; D781-A783 PolarHBondContact OD1-N 3.2Å; A783-R786 PolarHBondContact O-N 3.48Å; A783-R787 WeakPolarHBondContact O-CG 3.5Å; A783-R787 PolarHBondContact O-N 2.83Å
784K79.4Confident65.5Low102 Ų102129.2 Ų129.244%0.44367%0.67SS.*Hα-helixtrans-61.3-47.2167.6-178.1173.2179.8-67.50111.4D781 R786 R787 E788D781-K784 HydrophobicContact CB-CB 4.09Å; D781-K784 PolarHBondContact O-N 2.81Å; D781-K784 PolarHBondContact OD1-N 3.36Å; D781-K784 VanDerWaalsContact OD2-CB 3.31Å; D781-K784 WeakPolarHBondContact OD2-CB 3.34Å; K784-R786 PolarHBondContact O-N 3.2Å; K784-R787 WeakPolarHBondContact O-CB 3.4Å; K784-R787 PolarHBondContact O-N 3.04Å; K784-E788 WeakPolarHBondContact CE-OE1 3.33Å; K784-E788 HydrophobicContact CG-CG 4.48Å; K784-E788 IonicContact NZ-OE1 2.79Å; K784-E788 PolarHBondContact NZ-OE1 2.84Å; K784-E788 IonicContact NZ-OE2 3.43Å; K784-E788 PolarHBondContact NZ-OE2 3.09Å; K784-E788 WeakPolarHBondContact O-CG 3.35Å; K784-E788 PolarHBondContact O-N 2.74Å
785E81.5Confident66.7Low71 Ų71129.1 Ų129.133%0.33267%0.667SS.*Hα-helixtrans-56.7-36.7175.3-67.9177.4146.900112.5R780 D781 K789R780-E785 IonicContact CZ-OE1 3.12Å; R780-E785 IonicContact NE-OE1 2.76Å; R780-E785 PolarHBondContact NE-OE1 2.93Å; R780-E785 IonicContact NE-OE2 3.85Å; R780-E785 IonicContact NH2-OE1 2.71Å; R780-E785 PolarHBondContact NH2-OE1 3.06Å; D781-E785 WeakPolarHBondContact O-CG 3.27Å; D781-E785 PolarHBondContact O-N 3.03Å; D781-E785 VanDerWaalsContact O-N 3.16Å; E785-K789 VanDerWaalsContact O-CB 3.25Å; E785-K789 WeakPolarHBondContact O-CB 3.43Å; E785-K789 PolarHBondContact O-N 3.18Å
786R76.1Confident67.2Low180 Ų180131 Ų13168%0.67967%0.671SS**Hα-helixtrans-70.3-37.8172.9-79.9-170.368.9-174.90.1113.6R782 A783 K784 E788 K789 Y790R782-R786 WeakPolarHBondContact O-CG 3.38Å; R782-R786 PolarHBondContact O-N 3.31Å; R782-R786 VanDerWaalsContact O-N 3.14Å; A783-R786 PolarHBondContact O-N 3.48Å; K784-R786 PolarHBondContact O-N 3.2Å; R786-E788 VanDerWaalsContact C-N 3.35Å; R786-K789 PolarHBondContact O-N 3.4Å; R786-Y790 HydrophobicContact CB-CD2 4.47Å; R786-Y790 WeakPolarHBondContact O-CB 3.46Å; R786-Y790 WeakPolarHBondContact O-CD2 3.31Å; R786-Y790 PolarHBondContact O-N 3.23Å
787R81.3Confident67.3Low170 Ų170136.7 Ų136.764%0.64267%0.673SS**Hα-helixtrans-64.7-41175.4-69.4170.5-172169.83.3111.2A783 K784 G791A783-R787 WeakPolarHBondContact O-CG 3.5Å; A783-R787 PolarHBondContact O-N 2.83Å; K784-R787 WeakPolarHBondContact O-CB 3.4Å; K784-R787 PolarHBondContact O-N 3.04Å; R787-G791 VanDerWaalsContact O-CA 3.3Å; R787-G791 WeakPolarHBondContact O-CA 3.45Å; R787-G791 PolarHBondContact O-N 3.44Å
788E77Confident67.2Low128 Ų128141.4 Ų141.460%0.59868%0.675SS**Hα-helixtrans-69.3-38.4177.9-69.5171.8156.900112K784 R786K784-E788 WeakPolarHBondContact CE-OE1 3.33Å; K784-E788 HydrophobicContact CG-CG 4.48Å; K784-E788 IonicContact NZ-OE1 2.79Å; K784-E788 PolarHBondContact NZ-OE1 2.84Å; K784-E788 IonicContact NZ-OE2 3.43Å; K784-E788 PolarHBondContact NZ-OE2 3.09Å; K784-E788 WeakPolarHBondContact O-CG 3.35Å; K784-E788 PolarHBondContact O-N 2.74Å; R786-E788 VanDerWaalsContact C-N 3.35Å
789K78.9Confident66.4Low153 Ų153141.6 Ų141.667%0.66567%0.673SS**Hα-helixtrans-78.8-30.3-179.5-172.5176.2177.7-162.30114.8E785 R786E785-K789 VanDerWaalsContact O-CB 3.25Å; E785-K789 WeakPolarHBondContact O-CB 3.43Å; E785-K789 PolarHBondContact O-N 3.18Å; R786-K789 PolarHBondContact O-N 3.4Å
790Y75.5Confident65.2Low155 Ų155137.2 Ų137.261%0.60867%0.673SS**Hα-helixtrans-121.2-5.6-171.3-62.8-77.3000114.9R786R786-Y790 HydrophobicContact CB-CD2 4.47Å; R786-Y790 WeakPolarHBondContact O-CB 3.46Å; R786-Y790 WeakPolarHBondContact O-CD2 3.31Å; R786-Y790 PolarHBondContact O-N 3.23Å
791G70.7Confident63.8Low45 Ų45135.7 Ų135.746%0.46468%0.683SS.*  trans68.3-165.8-179.200000114.1R787R787-G791 VanDerWaalsContact O-CA 3.3Å; R787-G791 WeakPolarHBondContact O-CA 3.45Å; R787-G791 PolarHBondContact O-N 3.44Å
792I65.3Low61.9Low149 Ų149141.4 Ų141.476%0.76471%0.707SS**  trans-121.5117.2173.8-56.3175.7000107.3
793P64.9Low59.8Low117 Ų117136.5 Ų136.576%0.7670%0.703SS**PPolyproline II helixtrans-73.7135.9178.229.3-33.6000111.5
794S56.6Low58.4Low115 Ų115143 Ų14380%0.80473%0.725SS**PPolyproline II helixtrans-71.4138.1-177.8-54.10000112.9
795P60.2Low56.3Low121 Ų121143.7 Ų143.779%0.78674%0.74SS**PPolyproline II helixtrans-73.8151176.230.3-34.8000112.7
796P49.9Very low54.3Low125 Ų125146.3 Ų146.381%0.81277%0.766SS**PPolyproline II helixtrans-77.8154-177.432-35.9000113.6
797R42.1Very low52.2Low247 Ų247144.1 Ų144.193%0.93277%0.772SS**  trans-103.8110.6-175.3-170.6-177.8-171.6-171.23.9111.2
798M40.7Very low50.2Low183 Ų183142.9 Ų142.990%0.90178%0.783SS**  trans-87.6159.1177.4-65-172.773.500112.6
799K40.1Very low48.3Very low206 Ų206144.4 Ų144.490%0.89679%0.79SS**  trans-105.4149.9-176.3-62.3178.1-179.71780111.3
800S33.1Very low46Very low118 Ų118143.6 Ų143.683%0.82579%0.792SS**  trans-85.8147.4173.849.50000112.5
801V42.5Very low44.2Very low149 Ų149145.6 Ų145.690%0.90381%0.807SS**  trans-137.5152.7167.9-179.80000107.8
802E35.7Very low42.4Very low187 Ų187152 Ų15287%0.87482%0.824SS**  trans-101.9179.4-158.3-153.3149.8134.900115.5
803S35.1Very low41Very low93 Ų93152 Ų15265%0.6583%0.826SS**  trans-74.8158-161.363.10000117.3
804Q40.9Very low39.8Very low190 Ų190152.2 Ų152.289%0.88883%0.83SS**  -168.5145.3121.2-104.4170.354.100112.2
805P33.9Very low38.9Very low116 Ų116154.9 Ų154.975%0.75383%0.828SS**  trans-104.8166.9174.739-32.8000113.4
806S39.6Very low38.3Very low126 Ų126155.4 Ų155.488%0.88183%0.829SS**  trans-148150.3170.8-61.50000110.6
807V32.3Very low38.4Very low134 Ų134154.2 Ų154.281%0.81282%0.821SS**  trans-123.3137-174.6177.30000110
808V40.1Very low38.4Very low144 Ų144148 Ų14887%0.87381%0.813SS**  trans-137.1152.2167.7-175.50000108
809Q35.5Very low38.6Very low160 Ų160147.3 Ų147.375%0.74881%0.812SS**  trans-108.1148-164.7-62.8173.4-85.900113.8
810I32.3Very low39.2Very low136 Ų136142.5 Ų142.570%0.69780%0.801SS**  trans31.2125.2132.8-52.3163.7000118.2
811E37.8Very low39.7Very low197 Ų197143 Ų14392%0.92180%0.802SS**  trans-154.7166.9130.8-118.8165.4-150.800111.1
812Q31.6Very low39.8Very low178 Ų178143.3 Ų143.383%0.83280%0.797SS**  trans-129.5168.6-165.4-65.7-177.9-87.400113.8
813D36.9Very low40.4Very low149 Ų149139.9 Ų139.980%0.79779%0.791SS**  trans88.8134.3144.3-157.224.7000120.4
814S39Very low40.8Very low122 Ų122140.9 Ų140.985%0.85380%0.795SS**  trans169.6147.3144.439.30000111.1
815F38.7Very low41.1Very low171 Ų171137.8 Ų137.875%0.7579%0.791SS**  trans-125.8147.2-161.1168.8-83.4000112.5P817F815-P817 HydrophobicContact CE1-CB 4.27Å; F815-P817 HydrophobicContact CE1-CG 4.26Å
816V46.4Very low41.4Very low133 Ų133136.9 Ų136.981%0.80679%0.786SS**  trans-137.2140.4176-177.50000110.8
817P52.1Low41.5Very low99 Ų99139.7 Ų139.764%0.64379%0.785SS**  trans-94.2171.5-159.8-4.426.4000116.3F815F815-P817 HydrophobicContact CE1-CB 4.27Å; F815-P817 HydrophobicContact CE1-CG 4.26Å
818P42.2Very low41.9Very low118 Ų118139.5 Ų139.577%0.76679%0.789SS**  trans-95.5168.6-169.638.1-37.2000116.2
819L45.4Very low42.4Very low168 Ų168135.2 Ų135.288%0.8877%0.769SS**  trans-136.5167.3176.4-88.2169.8000110.8
820P52.4Low43.7Very low104 Ų104130.2 Ų130.268%0.67575%0.75SS**  trans-82.9163.6-145.831.2-37.6000117.6
821P43.7Very low45.5Very low128 Ų128129.7 Ų129.783%0.83175%0.749SS**  trans-79.7153-17433-37.2000114.8
822I43.8Very low47.4Very low157 Ų157126.7 Ų126.781%0.80574%0.744SS**  trans-134.7151.8180-68.2-178.8000109
823P49.3Very low49.4Very low115 Ų115120.1 Ų120.175%0.74772%0.724SS**PPolyproline II helixtrans-70.6173.1-163.3-20.735.6000116.8
824P43.7Very low51.1Low113 Ų113114.2 Ų114.273%0.73469%0.694SS**PPolyproline II helixtrans-75.6158.3-164.731.9-36.3000114.6P826P824-P826 WeakPolarHBondContact O-CD 3.24Å
825P47.6Very low53Low125 Ų125116.1 Ų116.181%0.81268%0.683SS**PPolyproline II helixtrans-77.5126.1-173.630.2-34.8000113.3
826P39.5Very low55.1Low98 Ų98113 Ų11364%0.63667%0.674SS**PPolyproline II helixtrans-83.9168.316835.2-34.9000112.6P824 S828P824-P826 WeakPolarHBondContact O-CD 3.24Å; P826-S828 PolarHBondContact O-N 3.16Å
827Q41.3Very low56.7Low185 Ų185109.5 Ų109.586%0.86465%0.649SS**THydrogen-bonded Turntrans-18.4112.2168.4-64164.9-12.300115.8A829Q827-A829 PolarHBondContact O-N 3.46Å
828S40.6Very low58.1Low129 Ų129109.1 Ų109.190%0.90264%0.639SS**THydrogen-bonded Turntrans42.639.3162.557.30000116.6P826P826-S828 PolarHBondContact O-N 3.16Å
829A51.7Low60.1Low54 Ų54112.7 Ų112.745%0.44664%0.642SS.*PPolyproline II helixtrans-68.2148.7176.600000111.8Q827 N831Q827-A829 PolarHBondContact O-N 3.46Å; A829-N831 PolarHBondContact O-N 3.3Å
830P61.4Low61.7Low55 Ų55112.1 Ų112.136%0.35764%0.637SS.*PPolyproline II helixtrans-65.5123.2-17625.3-34.6000112.4S834 R835P830-S834 WeakPolarHBondContact CB-OG 3.4Å; P830-R835 HydrophobicContact CB-CG 4.21Å; P830-R835 HydrophobicContact CG-CG 4.03Å
831N70.6Confident62.9Low126 Ų126109.9 Ų109.967%0.67463%0.633SS**PPolyproline II helixtrans-46.4152.5171.4-54.30.8000111.6A829 G833 S834 R835A829-N831 PolarHBondContact O-N 3.3Å; N831-G833 PolarHBondContact O-N 2.99Å; N831-G833 VanDerWaalsContact O-N 3.09Å; N831-S834 PolarHBondContact N-OG 3.12Å; N831-S834 VanDerWaalsContact N-OG 3.14Å; N831-S834 PolarHBondContact O-N 3.07Å; N831-S834 PolarHBondContact O-OG 3.24Å; N831-R835 PolarHBondContact O-N 3.05Å
832V77.4Confident64.5Low133 Ų133106.6 Ų106.681%0.80660%0.604SS**Hα-helixtrans-53.4-36.7176.3-178.40000111.7L836V832-L836 WeakPolarHBondContact O-CB 3.35Å; V832-L836 PolarHBondContact O-N 3.19Å
833G74.8Confident66.2Low40 Ų40105.3 Ų105.341%0.41259%0.594SS.*Hα-helixtrans-63.9-42.5174.500000114.4N831 L836 M837N831-G833 PolarHBondContact O-N 2.99Å; N831-G833 VanDerWaalsContact O-N 3.09Å; G833-L836 PolarHBondContact O-N 3.2Å; G833-M837 WeakPolarHBondContact O-CG 3.17Å; G833-M837 PolarHBondContact O-N 2.96Å
834S72.4Confident67.2Low25 Ų25104 Ų10418%0.17559%0.593CS.*Hα-helixtrans-71.3-39.8177.541.60000111.8P830 N831 L836 M837 E838P830-S834 WeakPolarHBondContact CB-OG 3.4Å; N831-S834 PolarHBondContact N-OG 3.12Å; N831-S834 VanDerWaalsContact N-OG 3.14Å; N831-S834 PolarHBondContact O-N 3.07Å; N831-S834 PolarHBondContact O-OG 3.24Å; S834-L836 VanDerWaalsContact C-N 3.28Å; S834-L836 PolarHBondContact O-N 2.89Å; S834-M837 PolarHBondContact O-N 3.15Å; S834-M837 VanDerWaalsContact O-N 3.14Å; S834-E838 WeakPolarHBondContact O-CB 3.3Å; S834-E838 VanDerWaalsContact O-CG 3.31Å; S834-E838 WeakPolarHBondContact O-CG 3.16Å; S834-E838 PolarHBondContact O-N 3Å
835R78.3Confident68.6Low162 Ų162101.4 Ų101.461%0.61159%0.587SS**Hα-helixtrans-60.4-35170.9-88.8-179.5167.2174-1.2113.4P830 N831 K839P830-R835 HydrophobicContact CB-CG 4.21Å; P830-R835 HydrophobicContact CG-CG 4.03Å; N831-R835 PolarHBondContact O-N 3.05Å; R835-K839 WeakPolarHBondContact O-CB 3.42Å; R835-K839 PolarHBondContact O-N 3.04Å; R835-K839 VanDerWaalsContact O-N 3.09Å
836L82.9Confident69.8Low107 Ų10798 Ų9856%0.5656%0.56SS**Hα-helixtrans-68.8-40.5174.2-175.763.3000111.6V832 G833 S834 K839 M840V832-L836 WeakPolarHBondContact O-CB 3.35Å; V832-L836 PolarHBondContact O-N 3.19Å; G833-L836 PolarHBondContact O-N 3.2Å; S834-L836 VanDerWaalsContact C-N 3.28Å; S834-L836 PolarHBondContact O-N 2.89Å; L836-K839 PolarHBondContact O-N 2.89Å; L836-M840 HydrophobicContact CD1-CE 4.49Å; L836-M840 VanDerWaalsContact O-CG 3.25Å; L836-M840 WeakPolarHBondContact O-CG 3.47Å; L836-M840 PolarHBondContact O-N 2.87Å; L836-M840 VanDerWaalsContact O-N 3.13Å
837M80.1Confident71.5Confident59 Ų5993.4 Ų93.429%0.29153%0.531SS..Hα-helixtrans-68.1-44.2176.5-71.3-174.8-64.900112.2G833 S834 K839 M840 G841 W842 L848G833-M837 WeakPolarHBondContact O-CG 3.17Å; G833-M837 PolarHBondContact O-N 2.96Å; S834-M837 PolarHBondContact O-N 3.15Å; S834-M837 VanDerWaalsContact O-N 3.14Å; M837-K839 VanDerWaalsContact C-N 3.32Å; M837-K839 PolarHBondContact O-N 3.42Å; M837-M840 CarbonylContact O-C 3.25Å; M837-M840 WeakPolarHBondContact O-CA 3.37Å; M837-M840 PolarHBondContact O-N 3.4Å; M837-G841 PolarHBondContact O-N 3.23Å; M837-W842 HydrophobicContact CB-CB 3.99Å; M837-W842 HydrophobicContact CB-CD2 4.12Å; M837-W842 HydrophobicContact CB-CE3 3.83Å; M837-W842 HydrophobicContact CB-CG 4.22Å; M837-W842 WeakPolarHBondContact O-CB 3.37Å; M837-W842 PolarHBondContact O-N 3.09Å; M837-L848 HydrophobicContact SD-CD1 3.95Å; M837-L848 HydrophobicContact SD-CD2 3.88Å; M837-L848 HydrophobicContact SD-CG 4.32Å
838E82Confident72.9Confident91 Ų9190.4 Ų90.443%0.42552%0.521SS..Hα-helixtrans-54.3-46.8171.9-74.1165.4-179.700111.4S834 M840 G841 W842S834-E838 WeakPolarHBondContact O-CB 3.3Å; S834-E838 VanDerWaalsContact O-CG 3.31Å; S834-E838 WeakPolarHBondContact O-CG 3.16Å; S834-E838 PolarHBondContact O-N 3Å; E838-M840 PolarHBondContact O-N 2.9Å; E838-G841 PolarHBondContact O-N 3.39Å; E838-W842 WeakPolarHBondContact CA-O 3.21Å
839K84.3Confident74.4Confident192 Ų19286.4 Ų86.484%0.83550%0.5SS*.Hα-helixtrans-70.4-14178-159.8172.1-175.8-179.40113.8R835 L836 M837R835-K839 WeakPolarHBondContact O-CB 3.42Å; R835-K839 PolarHBondContact O-N 3.04Å; R835-K839 VanDerWaalsContact O-N 3.09Å; L836-K839 PolarHBondContact O-N 2.89Å; M837-K839 VanDerWaalsContact C-N 3.32Å; M837-K839 PolarHBondContact O-N 3.42Å
840M77.4Confident75.5Confident157 Ų15796.3 Ų96.377%0.77353%0.526SS*.THydrogen-bonded Turntrans-97.89.7170.4-67.1-69.1-176.900112.8L836 M837 E838L836-M840 HydrophobicContact CD1-CE 4.49Å; L836-M840 VanDerWaalsContact O-CG 3.25Å; L836-M840 WeakPolarHBondContact O-CG 3.47Å; L836-M840 PolarHBondContact O-N 2.87Å; L836-M840 VanDerWaalsContact O-N 3.13Å; M837-M840 CarbonylContact O-C 3.25Å; M837-M840 WeakPolarHBondContact O-CA 3.37Å; M837-M840 PolarHBondContact O-N 3.4Å; E838-M840 PolarHBondContact O-N 2.9Å
841G78.8Confident76.2Confident57 Ų5797.7 Ų97.759%0.58854%0.537SS*.THydrogen-bonded Turntrans89.44.5173.800000115.9M837 E838M837-G841 PolarHBondContact O-N 3.23Å; E838-G841 PolarHBondContact O-N 3.39Å
842W77.5Confident76.2Confident59 Ų5996 Ų9622%0.22353%0.527CS..PPolyproline II helixtrans-77.5125.3172.817586.7000110.4M837 E838 Q846M837-W842 HydrophobicContact CB-CB 3.99Å; M837-W842 HydrophobicContact CB-CD2 4.12Å; M837-W842 HydrophobicContact CB-CE3 3.83Å; M837-W842 HydrophobicContact CB-CG 4.22Å; M837-W842 WeakPolarHBondContact O-CB 3.37Å; M837-W842 PolarHBondContact O-N 3.09Å; E838-W842 WeakPolarHBondContact CA-O 3.21Å; W842-Q846 PolarHBondContact NE1-O 3.27Å
843Q78.6Confident76.1Confident129 Ų12997.8 Ų97.860%0.60353%0.527SS*.PPolyproline II helixtrans-96.7148.4175.8-59.9178.2-16.600111.3G845 Q846Q843-G845 PolarHBondContact O-N 3.39Å; Q843-G845 VanDerWaalsContact O-N 3.1Å; Q843-Q846 HydrophobicContact CB-CG 4.12Å; Q843-Q846 WeakPolarHBondContact O-CB 3.37Å; Q843-Q846 PolarHBondContact O-N 2.95Å
844A70.2Confident75.8Confident87 Ų8796.8 Ų96.872%0.71952%0.517SS*.THydrogen-bonded Turntrans-55.6117.3176.300000111
845G72.3Confident75.6Confident60 Ų60103.5 Ų103.562%0.61954%0.538SS*.THydrogen-bonded Turntrans99.6-6.5-175.600000115.5Q843 T856Q843-G845 PolarHBondContact O-N 3.39Å; Q843-G845 VanDerWaalsContact O-N 3.1Å; G845-T856 WeakPolarHBondContact O-CG2 3.47Å
846Q74.7Confident75.1Confident52 Ų52100.3 Ų100.324%0.24354%0.537CS..  trans-81.2156170.3-71.9178.4-20.400112.3W842 Q843W842-Q846 PolarHBondContact NE1-O 3.27Å; Q843-Q846 HydrophobicContact CB-CG 4.12Å; Q843-Q846 WeakPolarHBondContact O-CB 3.37Å; Q843-Q846 PolarHBondContact O-N 2.95Å
847G74Confident74.2Confident3 Ų3102 Ų1023%0.03154%0.542CS..BIsolated β-bridgetrans-85.5129.2176.600000112.8G849 N852 G854G847-G849 PolarHBondContact O-N 3.45Å; G847-N852 WeakPolarHBondContact CA-O 3.48Å; G847-N852 CarbonylContact O-C 3.49Å; G847-N852 VanDerWaalsContact O-CA 3.32Å; G847-N852 WeakPolarHBondContact O-CA 3.39Å; G847-G854 WeakPolarHBondContact CA-O 3.43Å
848L71Confident73.4Confident122 Ų122106.5 Ų106.564%0.63957%0.566SS**SBendtrans-58.6104.7171.9-84.7164.1000112.1M837 G854M837-L848 HydrophobicContact SD-CD1 3.95Å; M837-L848 HydrophobicContact SD-CD2 3.88Å; M837-L848 HydrophobicContact SD-CG 4.32Å; L848-G854 VanDerWaalsContact O-CA 3.27Å; L848-G854 WeakPolarHBondContact O-CA 3.34Å
849G71.3Confident72.2Confident45 Ų45107 Ų10746%0.46457%0.574SS.*SBendtrans169156.5175.600000111.8G847 S851 N852G847-G849 PolarHBondContact O-N 3.45Å; G849-S851 PolarHBondContact O-N 3.19Å; G849-N852 PolarHBondContact O-N 3.33Å
850R75.2Confident71Confident262 Ų262105.2 Ų105.299%0.98957%0.569SS**THydrogen-bonded Turntrans-57.7-20.1-173.3-167.8175.5-176.6-179.82.4114.9
851S76.4Confident69.9Low84 Ų84101.6 Ų101.659%0.58756%0.564SS**THydrogen-bonded Turntrans-123.629.3178.1-47.60000112.3G849 Q853G849-S851 PolarHBondContact O-N 3.19Å; S851-Q853 PolarHBondContact O-N 3.23Å; S851-Q853 VanDerWaalsContact O-N 3.1Å
852N70.5Confident68.8Low89 Ų89104.8 Ų104.848%0.47656%0.564SS.*SBendtrans58.316-175.2-66-21000116G847 G849 G854G847-N852 WeakPolarHBondContact CA-O 3.48Å; G847-N852 CarbonylContact O-C 3.49Å; G847-N852 VanDerWaalsContact O-CA 3.32Å; G847-N852 WeakPolarHBondContact O-CA 3.39Å; G849-N852 PolarHBondContact O-N 3.33Å; N852-G854 VanDerWaalsContact C-N 3.28Å; N852-G854 PolarHBondContact O-N 3.18Å
853Q75Confident67.7Low171 Ų171109.5 Ų109.580%0.79959%0.586SS**BIsolated β-bridgetrans-77.10.1-173.4-71.7177.2-6.300115.4S851S851-Q853 PolarHBondContact O-N 3.23Å; S851-Q853 VanDerWaalsContact O-N 3.1Å
854G68.5Low66.7Low20 Ų20110.7 Ų110.721%0.20659%0.585CS.*SBendtrans-65154.5178.900000112.9G847 L848 N852 T856G847-G854 WeakPolarHBondContact CA-O 3.43Å; L848-G854 VanDerWaalsContact O-CA 3.27Å; L848-G854 WeakPolarHBondContact O-CA 3.34Å; N852-G854 VanDerWaalsContact C-N 3.28Å; N852-G854 PolarHBondContact O-N 3.18Å; G854-T856 PolarHBondContact O-N 2.84Å
855R68Low66.2Low165 Ų165112.5 Ų112.562%0.62358%0.579SS**  trans-69115.3178.2-171.5-174.9171.5143.60.1110.3Q857R855-Q857 WeakPolarHBondContact CD-O 3.14Å; R855-Q857 WeakPolarHBondContact CG-O 3.46Å; R855-Q857 PolarHBondContact NE-O 2.97Å; R855-Q857 VanDerWaalsContact NE-O 3.09Å
856T69.4Low65.4Low95 Ų95114.9 Ų114.958%0.58359%0.593SS**  trans-80.3-26.5-179.954.50000113.3G845 G854G845-T856 WeakPolarHBondContact O-CG2 3.47Å; G854-T856 PolarHBondContact O-N 2.84Å
857Q63.1Low64.9Low143 Ų143116.7 Ų116.767%0.66863%0.625SS**SBendtrans-84.9134.8175.9-66.3176.9-7.600111.3R855 V859R855-Q857 WeakPolarHBondContact CD-O 3.14Å; R855-Q857 WeakPolarHBondContact CG-O 3.46Å; R855-Q857 PolarHBondContact NE-O 2.97Å; R855-Q857 VanDerWaalsContact NE-O 3.09Å; Q857-V859 PolarHBondContact O-N 3.39Å
858I62.5Low64.3Low154 Ų154119.2 Ų119.279%0.7964%0.64SS**  trans-49.3136.7169.9-61.5173.3000109.4E860I858-E860 PolarHBondContact O-N 3.37Å; I858-E860 VanDerWaalsContact O-N 3.15Å
859V58.4Low63.5Low100 Ų100115.7 Ų115.761%0.60663%0.633SS**  trans-74.9103.4172.1-175.60000107.5Q857 A861Q857-V859 PolarHBondContact O-N 3.39Å; V859-A861 PolarHBondContact O-N 3.06Å
860E58Low63Low155 Ų155121.5 Ų121.572%0.72465%0.653SS**  trans-56.6126.8171.1-63.8-171.5131.800109.6I858 E862I858-E860 PolarHBondContact O-N 3.37Å; I858-E860 VanDerWaalsContact O-N 3.15Å; E860-E862 VanDerWaalsContact C-N 3.3Å; E860-E862 PolarHBondContact O-N 2.95Å
861A54.1Low62.5Low81 Ų81112.7 Ų112.767%0.66964%0.643SS**  trans-74.683.7178.100000109.9V859 F863V859-A861 PolarHBondContact O-N 3.06Å; A861-F863 PolarHBondContact O-N 3.39Å
862E56.9Low61.7Low125 Ų125114.3 Ų114.358%0.58464%0.644SS**  trans-69.191179.3-168.5-176.8-103.600110.8E860 R864E860-E862 VanDerWaalsContact C-N 3.3Å; E860-E862 PolarHBondContact O-N 2.95Å; E862-R864 PolarHBondContact O-N 3.06Å; E862-R864 IonicContact OE2-CZ 3.71Å; E862-R864 IonicContact OE2-NE 3.53Å; E862-R864 PolarHBondContact OE2-NE 3.25Å; E862-R864 IonicContact OE2-NH2 2.73Å; E862-R864 PolarHBondContact OE2-NH2 3.1Å
863F54.1Low61.2Low158 Ų158120.2 Ų120.269%0.69367%0.665SS**  trans-61.4126.5170.2-92.9-96.2000110.3A861 P879A861-F863 PolarHBondContact O-N 3.39Å; F863-P879 HydrophobicContact CD2-CB 4.36Å
864R56.2Low60Low154 Ų154116.5 Ų116.558%0.58165%0.654SS**  trans-112.9140.8174.4-62.1-178-174.1142.51.9109.4E862 A866E862-R864 PolarHBondContact O-N 3.06Å; E862-R864 IonicContact OE2-CZ 3.71Å; E862-R864 IonicContact OE2-NE 3.53Å; E862-R864 PolarHBondContact OE2-NE 3.25Å; E862-R864 IonicContact OE2-NH2 2.73Å; E862-R864 PolarHBondContact OE2-NH2 3.1Å; R864-A866 PolarHBondContact O-N 3.18Å
865E60.2Low59.2Low125 Ų125120.9 Ų120.958%0.58468%0.682SS**  trans-61.2131.1177.6-69.3172.7177.600110G867 V868 R877E865-G867 PolarHBondContact O-N 3.24Å; E865-V868 HydrophobicContact CB-CG2 3.85Å; E865-V868 WeakPolarHBondContact O-CG2 3.45Å; E865-V868 PolarHBondContact O-N 3.3Å; E865-V868 VanDerWaalsContact O-N 3.14Å; E865-R877 IonicContact OE1-NH2 3.84Å; E865-R877 PolarHBondContact OE1-NH2 3.45Å
866A55.5Low58.2Low110 Ų110122 Ų12291%0.90969%0.691SS**THydrogen-bonded Turntrans-61.6127.6-175.200000111.1R864R864-A866 PolarHBondContact O-N 3.18Å
867G65.4Low57.3Low89 Ų89126.7 Ų126.792%0.91870%0.698SS**THydrogen-bonded Turntrans95-7.9-176.600000115.4E865 G869E865-G867 PolarHBondContact O-N 3.24Å; G867-G869 PolarHBondContact O-N 3.25Å
868V60.5Low56.9Low57 Ų57122.7 Ų122.735%0.34570%0.695SS.*  trans-82.9117.6175.5-172.30000110.5E865 I872E865-V868 HydrophobicContact CB-CG2 3.85Å; E865-V868 WeakPolarHBondContact O-CG2 3.45Å; E865-V868 PolarHBondContact O-N 3.3Å; E865-V868 VanDerWaalsContact O-N 3.14Å; V868-I872 HydrophobicContact CG1-CB 4.21Å; V868-I872 HydrophobicContact CG1-CD1 4.3Å
869G53.7Low56.4Low48 Ų48119 Ų11950%0.49568%0.681SS.*  trans-70.8154.5-178.200000114.3G867 G871 I872G867-G869 PolarHBondContact O-N 3.25Å; G869-G871 PolarHBondContact O-N 3.02Å; G869-I872 PolarHBondContact O-N 3.32Å
870L62Low56.2Low167 Ų167121.8 Ų121.887%0.87469%0.687SS**THydrogen-bonded Turntrans-56.96.7-174.2-72164.2000117.5
871G63.9Low55.7Low76 Ų76115.7 Ų115.778%0.78466%0.662SS**THydrogen-bonded Turntrans-116.8-0.5-175.200000116.1G869G869-G871 PolarHBondContact O-N 3.02Å
872I60.3Low55.7Low119 Ų119118.8 Ų118.861%0.6167%0.667SS**  trans-102.6127.5-177.6-59.1-179.9000110.1V868 G869 T874V868-I872 HydrophobicContact CG1-CB 4.21Å; V868-I872 HydrophobicContact CG1-CD1 4.3Å; G869-I872 PolarHBondContact O-N 3.32Å; I872-T874 HydrophobicContact CG2-CG2 4.08Å; I872-T874 PolarHBondContact O-N 3.19Å
873K59.5Low55.8Low213 Ų213117.9 Ų117.993%0.92667%0.667SS**  trans-81103.9172.1-62.8-178.3-178.8-177.80109.4
874T50Low56.2Low93 Ų93119.6 Ų119.657%0.57167%0.67SS**PPolyproline II helixtrans-101152.1172.550.40000111.4I872I872-T874 HydrophobicContact CG2-CG2 4.08Å; I872-T874 PolarHBondContact O-N 3.19Å
875S51.8Low56.8Low111 Ų111119.3 Ų119.378%0.77667%0.673SS**PPolyproline II helixtrans-70135.5179.2-54.20000111.3R877S875-R877 PolarHBondContact O-N 2.92Å
876K47.1Very low57.3Low188 Ų188116.1 Ų116.182%0.81766%0.66SS**PPolyproline II helixtrans-54.7122.7-178.4-63-174.7177-168.40111.6
877R49.9Very low58Low195 Ų195114.9 Ų114.974%0.73664%0.638SS**  trans-129.6127.1161.6-72.2-165.9-75.4-150.31.2109E865 S875E865-R877 IonicContact OE1-NH2 3.84Å; E865-R877 PolarHBondContact OE1-NH2 3.45Å; S875-R877 PolarHBondContact O-N 2.92Å
878G54.9Low58.5Low58 Ų58113 Ų11360%0.59861%0.608SS**PPolyproline II helixtrans-71.5168.8175.800000112.4
879P52.6Low59.3Low76 Ų76116.5 Ų116.549%0.49462%0.619SS.*PPolyproline II helixtrans-57.6144.6-178.423.7-34000112.1F863 S881 R890F863-P879 HydrophobicContact CD2-CB 4.36Å; P879-S881 PolarHBondContact O-N 3.31Å; P879-R890 PolarHBondContact O-NH1 2.88Å; P879-R890 VanDerWaalsContact O-NH1 3.09Å
880Q53.3Low60.2Low159 Ų159120.9 Ų120.974%0.74362%0.62SS**PPolyproline II helixtrans-61.3130.8175.9-61.5-174-81.300109.2
881S48.1Very low60.9Low28 Ų28115.4 Ų115.420%0.19660%0.599CS.*PPolyproline II helixtrans-90.3117.3171.355.20000108.8P879 N883 N887P879-S881 PolarHBondContact O-N 3.31Å; S881-N883 PolarHBondContact O-N 3.3Å; S881-N887 PolarHBondContact OG-N 3.46Å
882D54.2Low61.3Low145 Ų145118 Ų11878%0.77559%0.593SS**SBendtrans-63.2-12.5-171-53.9-60.6000114.6
883N57.7Low62Low107 Ų107119.1 Ų119.157%0.57259%0.593SS**  trans-89.6121.8171.1-94.9-42.3000112.4S881 K885 D886 N887S881-N883 PolarHBondContact O-N 3.3Å; N883-K885 PolarHBondContact O-N 2.82Å; N883-K885 VanDerWaalsContact O-N 3.13Å; N883-D886 HydrophobicContact CB-CB 4.4Å; N883-D886 VanDerWaalsContact CB-OD2 3.24Å; N883-D886 WeakPolarHBondContact CB-OD2 3.42Å; N883-D886 PolarHBondContact O-N 3.06Å; N883-N887 PolarHBondContact O-N 2.83Å
884Y62.6Low62.7Low194 Ų194111.2 Ų111.276%0.76157%0.567SS**Hα-helixtrans-48.4-38.6168.2173.2-99.5000112.8D886 N887 V888Y884-D886 VanDerWaalsContact C-N 3.31Å; Y884-D886 PolarHBondContact O-N 2.94Å; Y884-N887 PolarHBondContact O-N 3.37Å; Y884-V888 HydrophobicContact CD1-CG2 4.27Å; Y884-V888 HydrophobicContact CD2-CG2 4.14Å; Y884-V888 HydrophobicContact CE1-CG2 3.89Å; Y884-V888 HydrophobicContact CE2-CG2 3.74Å; Y884-V888 HydrophobicContact CG-CG2 4.39Å; Y884-V888 WeakPolarHBondContact O-CB 3.35Å; Y884-V888 VanDerWaalsContact O-CG2 3.3Å; Y884-V888 WeakPolarHBondContact O-CG2 3.47Å; Y884-V888 PolarHBondContact O-N 2.97Å
885K70.5Confident63.6Low148 Ų148115.7 Ų115.764%0.64357%0.574SS**Hα-helixtrans-58.2-41.5177.7-174.9-178.3179.6-175.50112.5N883 K889N883-K885 PolarHBondContact O-N 2.82Å; N883-K885 VanDerWaalsContact O-N 3.13Å; K885-K889 WeakPolarHBondContact O-CG 3.47Å; K885-K889 PolarHBondContact O-N 3.37Å
886D69.6Low64.8Low58 Ų58116.8 Ų116.831%0.3157%0.565SS.*Hα-helixtrans-86.9-29.4-175-58.1-54.4000111.4N883 Y884 K889 R890N883-D886 HydrophobicContact CB-CB 4.4Å; N883-D886 VanDerWaalsContact CB-OD2 3.24Å; N883-D886 WeakPolarHBondContact CB-OD2 3.42Å; N883-D886 PolarHBondContact O-N 3.06Å; Y884-D886 VanDerWaalsContact C-N 3.31Å; Y884-D886 PolarHBondContact O-N 2.94Å; D886-K889 PolarHBondContact O-N 3.3Å; D886-R890 VanDerWaalsContact O-CB 3.3Å; D886-R890 WeakPolarHBondContact O-CB 3.45Å; D886-R890 PolarHBondContact O-N 2.83Å
887N70.9Confident66.1Low83 Ų83113.3 Ų113.344%0.44455%0.552SS.*Hα-helixtrans-66.8-41.4169.1-156.95.2000111.4S881 N883 Y884 R890 A891S881-N887 PolarHBondContact OG-N 3.46Å; N883-N887 PolarHBondContact O-N 2.83Å; Y884-N887 PolarHBondContact O-N 3.37Å; N887-R890 PolarHBondContact O-N 3.42Å; N887-A891 WeakPolarHBondContact O-CB 3.39Å; N887-A891 PolarHBondContact O-N 3.34Å
888V75.6Confident67.1Low50 Ų50111.3 Ų111.330%0.30355%0.551SS.*Hα-helixtrans-64.6-43.4171.9169.40000111.6Y884 R890 A891 M892Y884-V888 HydrophobicContact CD1-CG2 4.27Å; Y884-V888 HydrophobicContact CD2-CG2 4.14Å; Y884-V888 HydrophobicContact CE1-CG2 3.89Å; Y884-V888 HydrophobicContact CE2-CG2 3.74Å; Y884-V888 HydrophobicContact CG-CG2 4.39Å; Y884-V888 WeakPolarHBondContact O-CB 3.35Å; Y884-V888 VanDerWaalsContact O-CG2 3.3Å; Y884-V888 WeakPolarHBondContact O-CG2 3.47Å; Y884-V888 PolarHBondContact O-N 2.97Å; V888-R890 PolarHBondContact O-N 3.17Å; V888-A891 PolarHBondContact O-N 2.85Å; V888-M892 HydrophobicContact CG1-CE 4.48Å; V888-M892 HydrophobicContact CG1-SD 4.25Å; V888-M892 WeakPolarHBondContact O-CB 3.47Å; V888-M892 WeakPolarHBondContact O-CG 3.32Å; V888-M892 PolarHBondContact O-N 3.2Å
889K77.8Confident67.1Low131 Ų131115.9 Ų115.957%0.5756%0.56SS**Hα-helixtrans-55.9-50171.8-85.9-178.3165.9-170.30111.6K885 D886 A891 M892 F893K885-K889 WeakPolarHBondContact O-CG 3.47Å; K885-K889 PolarHBondContact O-N 3.37Å; D886-K889 PolarHBondContact O-N 3.3Å; K889-A891 VanDerWaalsContact C-N 3.34Å; K889-A891 PolarHBondContact O-N 3.5Å; K889-M892 PolarHBondContact O-N 3.42Å; K889-F893 WeakPolarHBondContact O-CB 3.1Å; K889-F893 PolarHBondContact O-N 2.88Å
890R72.4Confident66.7Low139 Ų139121.1 Ų121.153%0.52558%0.578SS.*Hα-helixtrans-65.6-36.3-177.7-173.4174.2-80.6164.1-7.1111.8P879 D886 N887 V888 F893 A894P879-R890 PolarHBondContact O-NH1 2.88Å; P879-R890 VanDerWaalsContact O-NH1 3.09Å; D886-R890 VanDerWaalsContact O-CB 3.3Å; D886-R890 WeakPolarHBondContact O-CB 3.45Å; D886-R890 PolarHBondContact O-N 2.83Å; N887-R890 PolarHBondContact O-N 3.42Å; V888-R890 PolarHBondContact O-N 3.17Å; R890-F893 PolarHBondContact O-N 2.95Å; R890-A894 WeakPolarHBondContact O-CB 3.43Å; R890-A894 PolarHBondContact O-N 3.17Å
891A75.6Confident67.4Low52 Ų52119.3 Ų119.343%0.4357%0.57SS.*Hα-helixtrans-69.5-37.2173.100000113.2N887 V888 K889 R895N887-A891 WeakPolarHBondContact O-CB 3.39Å; N887-A891 PolarHBondContact O-N 3.34Å; V888-A891 PolarHBondContact O-N 2.85Å; K889-A891 VanDerWaalsContact C-N 3.34Å; K889-A891 PolarHBondContact O-N 3.5Å; A891-R895 WeakPolarHBondContact O-CB 3.46Å; A891-R895 WeakPolarHBondContact O-CG 3.43Å; A891-R895 PolarHBondContact O-N 2.94Å; A891-R895 VanDerWaalsContact O-N 3.09Å
892M73Confident68.4Low132 Ų132124.1 Ų124.165%0.6559%0.59SS**Hα-helixtrans-66.4-43.2171.3-78.7-179.7161.500111.7V888 K889 R895 F896V888-M892 HydrophobicContact CG1-CE 4.48Å; V888-M892 HydrophobicContact CG1-SD 4.25Å; V888-M892 WeakPolarHBondContact O-CB 3.47Å; V888-M892 WeakPolarHBondContact O-CG 3.32Å; V888-M892 PolarHBondContact O-N 3.2Å; K889-M892 PolarHBondContact O-N 3.42Å; M892-R895 PolarHBondContact O-N 2.98Å; M892-F896 WeakPolarHBondContact O-CB 3.43Å; M892-F896 PolarHBondContact O-N 2.68Å
893F74.5Confident69.2Low142 Ų142122.9 Ų122.962%0.62358%0.58SS**Hα-helixtrans-67.8-39.3-179.6-150.1-84.9000111.9K889 R890 F896 H897K889-F893 WeakPolarHBondContact O-CB 3.1Å; K889-F893 PolarHBondContact O-N 2.88Å; R890-F893 PolarHBondContact O-N 2.95Å; F893-F896 PolarHBondContact O-N 2.87Å; F893-H897 PolarHBondContact O-N 3.45Å
894A74Confident69.8Low46 Ų46123.8 Ų123.838%0.3858%0.58SS.*Hα-helixtrans-60.3-49.4170.900000111.3R890 F896 H897 E898R890-A894 WeakPolarHBondContact O-CB 3.43Å; R890-A894 PolarHBondContact O-N 3.17Å; A894-F896 VanDerWaalsContact C-N 3.27Å; A894-F896 PolarHBondContact O-N 3.01Å; A894-H897 CarbonylContact O-C 3.53Å; A894-H897 PolarHBondContact O-N 3.14Å; A894-E898 WeakPolarHBondContact O-CB 3.38Å; A894-E898 WeakPolarHBondContact O-CG 3.34Å; A894-E898 PolarHBondContact O-N 3.45Å
895R70.4Confident70.3Confident187 Ų187119.4 Ų119.471%0.70657%0.569SS**Hα-helixtrans-63.3-29.4176.9-78.7-176.8168.9-155.8-4.6114.2A891 M892 L899A891-R895 WeakPolarHBondContact O-CB 3.46Å; A891-R895 WeakPolarHBondContact O-CG 3.43Å; A891-R895 PolarHBondContact O-N 2.94Å; A891-R895 VanDerWaalsContact O-N 3.09Å; M892-R895 PolarHBondContact O-N 2.98Å; R895-L899 WeakPolarHBondContact O-CD1 3.29Å; R895-L899 VanDerWaalsContact O-CG 3.29Å; R895-L899 WeakPolarHBondContact O-CG 3.15Å
896F75.4Confident70.3Confident135 Ų135117.5 Ų117.559%0.59256%0.564SS**Hα-helixtrans-69.7-45.9173.7-174.1-90.9000110.6M892 F893 A894 E898 L899M892-F896 WeakPolarHBondContact O-CB 3.43Å; M892-F896 PolarHBondContact O-N 2.68Å; F893-F896 PolarHBondContact O-N 2.87Å; A894-F896 VanDerWaalsContact C-N 3.27Å; A894-F896 PolarHBondContact O-N 3.01Å; F896-E898 VanDerWaalsContact C-N 3.3Å; F896-E898 PolarHBondContact O-N 2.99Å; F896-L899 PolarHBondContact O-N 2.74Å; F896-L899 VanDerWaalsContact O-N 3.14Å
897H75.3Confident70.3Confident115 Ų115121.8 Ų121.853%0.53258%0.582SS.*Hα-helixtrans-80.9-5.1-179.3-129.1-26.5000114.7F893 A894 E900F893-H897 PolarHBondContact O-N 3.45Å; A894-H897 CarbonylContact O-C 3.53Å; A894-H897 PolarHBondContact O-N 3.14Å; H897-E900 IonicContact CE1-OE2 3.15Å; H897-E900 PolarHBondContact CE1-OE2 3.04Å; H897-E900 IonicContact ND1-OE2 2.72Å
898E70.5Confident70.3Confident153 Ų153124.8 Ų124.872%0.71559%0.592SS**THydrogen-bonded Turntrans-96.15.6166.4-71.1176157.600112.1A894 F896A894-E898 WeakPolarHBondContact O-CB 3.38Å; A894-E898 WeakPolarHBondContact O-CG 3.34Å; A894-E898 PolarHBondContact O-N 3.45Å; F896-E898 VanDerWaalsContact C-N 3.3Å; F896-E898 PolarHBondContact O-N 2.99Å
899L54.8Low69.9Low154 Ų154131 Ų13181%0.80662%0.616SS**  trans-117.13.9174.9-74.4171.8000113.3R895 F896R895-L899 WeakPolarHBondContact O-CD1 3.29Å; R895-L899 VanDerWaalsContact O-CG 3.29Å; R895-L899 WeakPolarHBondContact O-CG 3.15Å; F896-L899 PolarHBondContact O-N 2.74Å; F896-L899 VanDerWaalsContact O-N 3.14Å
900E44.7Very low69.1Low186 Ų186131 Ų13187%0.86962%0.621SS**  trans-103.20160.6-68.5-174.5145.400109.8H897H897-E900 IonicContact CE1-OE2 3.15Å; H897-E900 PolarHBondContact CE1-OE2 3.04Å; H897-E900 IonicContact ND1-OE2 2.72Å

Retrieved 900 of 900 residues in 439.1 ms (Link to these results)

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